| 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 | 34.7 | Very low | 35.7 | Very low | 239 Ų | 239 | 143.5 Ų | 143.5 | 100% | 1.177 | 81% | 0.808 | S | S | * | * | 0 | 87.4 | 0 | -65.9 | 174.7 | 176.1 | 0 | 0 | 104.7 | |||||
| 2 | A | 34.1 | Very low | 35.7 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | 74.2 | 124.6 | 52.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | T | 35.7 | Very low | 35.6 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | -139.2 | 144.5 | -4.5 | 38.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 4 | D | 41.1 | Very low | 35.4 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | 69.9 | 93.1 | 56.6 | -67.9 | 1 | 0 | 0 | 0 | 113.6 | |||||
| 5 | D | 40.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | 45.4 | 147.5 | 137.2 | -65.2 | -7.4 | 0 | 0 | 0 | 124.4 | ||||
| 6 | S | 38 | Very low | 35.6 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -92.9 | 135 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | I | 36 | Very low | 35.6 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -121.3 | 130.2 | 168 | -64.5 | 178 | 0 | 0 | 0 | 107.7 | V9 | I7-V9 HydrophobicContact CG2-CG2 4.47Š| ||
| 8 | I | 35.2 | Very low | 35.5 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -90 | 125.6 | 173.9 | -60.5 | 171.5 | 0 | 0 | 0 | 107.7 | L10 | I8-L10 HydrophobicContact CG2-CG 4.4Š| ||
| 9 | V | 33.6 | Very low | 35.4 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 66% | 0.661 | 81% | 0.812 | S | S | * | * | trans | -113.7 | 135.9 | 164.2 | 179.2 | 0 | 0 | 0 | 0 | 107 | I7 | I7-V9 HydrophobicContact CG2-CG2 4.47Š| ||
| 10 | L | 31.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -118.1 | 115 | 166.7 | -67.6 | 171.7 | 0 | 0 | 0 | 106.3 | I8 | I8-L10 HydrophobicContact CG2-CG 4.4Š| ||
| 11 | D | 32.8 | Very low | 35.1 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -121.9 | 131.9 | 154 | -78.4 | -53.9 | 0 | 0 | 0 | 104.5 | ||||
| 12 | D | 35.8 | Very low | 35.4 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -79 | 155.1 | -173.6 | -75 | -55.1 | 0 | 0 | 0 | 112.4 | ||||
| 13 | D | 33.7 | Very low | 35 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 146.6 | -170.6 | -59.8 | -69.4 | 0 | 0 | 0 | 115.1 | ||||
| 14 | D | 33.2 | Very low | 35.4 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -111.7 | 140.9 | 162.4 | -113.4 | -34.1 | 0 | 0 | 0 | 109.2 | ||||
| 15 | E | 37.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 67.1 | 161.3 | -179.5 | -46.4 | -160.3 | 121.3 | 0 | 0 | 114.9 | ||||
| 16 | D | 37.2 | Very low | 34.2 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | cis | -155.7 | -162.3 | 21.6 | -165.9 | 1.9 | 0 | 0 | 0 | 111.8 | ||||
| 17 | E | 35 | Very low | 33.8 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 82.3 | 135.9 | -175.6 | -73.8 | -133.6 | 128 | 0 | 0 | 116.3 | ||||
| 18 | A | 34.1 | Very low | 34.4 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -170.6 | 168.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | A | 33 | Very low | 34.8 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | cis | -178.4 | 159.4 | -19.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 20 | A | 31.2 | Very low | 34.7 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | -164.3 | -171.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 21 | Q | 34.7 | Very low | 35 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -137.8 | 143.3 | 173.6 | -78.1 | -75.9 | -33.7 | 0 | 0 | 110.9 | ||||
| 22 | P | 39.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -87.5 | 128.4 | 174.5 | 33 | -31.4 | 0 | 0 | 0 | 112.8 | ||||
| 23 | G | 26.1 | Very low | 34.4 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -88.9 | -143.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 24 | P | 44.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -114.8 | -152 | 4.1 | 23.2 | 3.1 | 0 | 0 | 0 | 110.5 | ||||
| 25 | S | 27.3 | Very low | 33.9 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -160.5 | 149.1 | 18.7 | -50.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 26 | N | 28.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 44.7 | 120 | 139.4 | -57.9 | 4.7 | 0 | 0 | 0 | 122.9 | ||||
| 27 | L | 29.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -84 | -177.4 | 145.5 | -62.9 | 169.3 | 0 | 0 | 0 | 109.4 | ||||
| 28 | P | 47.7 | Very low | 33.8 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | cis | -120.5 | -150.7 | -1.6 | 43.4 | -25.4 | 0 | 0 | 0 | 110.3 | ||||
| 29 | P | 43.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 113.6 Ų | 113.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -134.6 | -151.9 | -4.8 | 44 | -23.9 | 0 | 0 | 0 | 114.4 | ||||
| 30 | N | 31.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -116.9 | 146.6 | 172.4 | -166 | 5 | 0 | 0 | 0 | 108.8 | ||||
| 31 | P | 39.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -153.5 | 157.5 | 101.2 | 40.2 | -22.6 | 0 | 0 | 0 | 117.8 | |||||
| 32 | A | 27.4 | Very low | 32.9 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 49.6 | 113.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 33 | S | 28.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | 79.1 | 141.1 | 128.5 | -163.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 34 | T | 28.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 121 Ų | 121 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 73.4 | 132.6 | 155.4 | 8.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 35 | G | 27.4 | Very low | 31.9 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -77.2 | -170.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 36 | P | 38 | Very low | 31.8 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | cis | -128.6 | 179.1 | 37.6 | 40.7 | -27.1 | 0 | 0 | 0 | 115.2 | ||||
| 37 | G | 27.8 | Very low | 31.8 | Very low | 63 Ų | 63 | 120.8 Ų | 120.8 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -69.4 | 170.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | P | 41.7 | Very low | 31.7 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | -149.9 | 174.8 | 72.8 | 41 | -24.4 | 0 | 0 | 0 | 116.5 | |||||
| 39 | G | 26.1 | Very low | 30.7 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 106.6 | 95.5 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 40 | L | 27.5 | Very low | 30.3 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 44.6 | 106.4 | 133.5 | -62.1 | 166.3 | 0 | 0 | 0 | 119.6 | ||||
| 41 | S | 29.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | -177.1 | 129.1 | 109.7 | -82.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 42 | Q | 31.3 | Very low | 30 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 28.7 | 140.2 | 128.3 | -64.4 | -179 | 90.5 | 0 | 0 | 120.4 | |||||
| 43 | Q | 28.9 | Very low | 30.2 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | cis | -174.6 | 125.7 | -2.1 | 166.5 | -177 | 103.6 | 0 | 0 | 109.7 | ||||
| 44 | A | 30.5 | Very low | 30.4 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -159.7 | 128 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 45 | T | 28.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 148.7 | 165.1 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 46 | G | 26.1 | Very low | 30.9 | Very low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | cis | 96.7 | 126.4 | 34.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 47 | L | 27.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | cis | -122.7 | 161.7 | 24.6 | -54.3 | 93.7 | 0 | 0 | 0 | 111.9 | ||||
| 48 | S | 27.3 | Very low | 31 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | 93.7 | 87.6 | 13.4 | -50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 49 | E | 28.4 | Very low | 30.6 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -137.3 | 157.7 | 138.4 | -89.5 | -153.1 | 118.8 | 0 | 0 | 109.8 | ||||
| 50 | P | 34.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -126.3 | 166.9 | -149.4 | 43.2 | -29.8 | 0 | 0 | 0 | 116.9 | ||||
| 51 | R | 32.7 | Very low | 31.7 | Very low | 233 Ų | 233 | 128.8 Ų | 128.8 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -67.7 | 161.2 | 152.5 | -90.6 | 176.9 | 158.1 | 176.5 | -8.5 | 109.4 | ||||
| 52 | V | 32.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 74% | 0.739 | 82% | 0.815 | S | S | * | * | -171.1 | 150.3 | 76.7 | 157.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 53 | D | 31.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 13.3 | 138.8 | 161.4 | -53.3 | -14.9 | 0 | 0 | 0 | 122.7 | ||||
| 54 | G | 31.7 | Very low | 36.4 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | 112.8 | 106.6 | 108.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 55 | G | 26.1 | Very low | 39.3 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 155.5 | 97.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 56 | S | 40.4 | Very low | 42.2 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -76.8 | 136.3 | 173 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 57 | S | 32.5 | Very low | 45.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -156.4 | 149.7 | 155.1 | -86.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 58 | N | 36.6 | Very low | 48.3 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -97.4 | 124.4 | -155.9 | -171.4 | 14.4 | 0 | 0 | 0 | 113 | ||||
| 59 | S | 31.5 | Very low | 51.6 | Low | 103 Ų | 103 | 123.3 Ų | 123.3 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -152.3 | 127.7 | 152.1 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | S61 | S59-S61 PolarHBondContact O-N 3.39Š| ||
| 60 | G | 37.8 | Very low | 54.7 | Low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 69% | 0.689 | S | S | * | * | trans | -76.4 | 57.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R62 | G60-R62 PolarHBondContact O-N 3.27Š| ||
| 61 | S | 40.4 | Very low | 57.6 | Low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 120.6 | 177.4 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | S59 K63 | S59-S61 PolarHBondContact O-N 3.39Å; S61-K63 PolarHBondContact O-N 2.81Å; S61-K63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | R | 49.3 | Very low | 60.6 | Low | 239 Ų | 239 | 110.8 Ų | 110.8 | 90% | 0.902 | 65% | 0.649 | S | S | * | * | trans | -62.7 | 111.4 | 178.5 | -69.9 | 179.7 | 179.9 | 144.1 | -0.1 | 109.5 | G60 C64 | G60-R62 PolarHBondContact O-N 3.27Å; R62-C64 PolarHBondContact O-N 3.37Å; R62-C64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | K | 65.9 | Low | 63.6 | Low | 164 Ų | 164 | 105.1 Ų | 105.1 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -54.2 | 116.5 | 173.5 | -67.2 | -178.3 | -179.8 | 179.1 | 0 | 109.3 | S61 Y65 | S61-K63 PolarHBondContact O-N 2.81Å; S61-K63 VanDerWaalsContact O-N 3.09Å; K63-Y65 HydrophobicContact CB-CD2 4.41Å; K63-Y65 HydrophobicContact CB-CE2 3.75Å; K63-Y65 WeakPolarHBondContact O-CD2 3.37Å; K63-Y65 WeakPolarHBondContact O-CE2 3.45Å; K63-Y65 PolarHBondContact O-N 3.36Å | ||
| 64 | C | 73.5 | Confident | 66.7 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | trans | -91.7 | 99 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | R62 K66 | R62-C64 PolarHBondContact O-N 3.37Å; R62-C64 VanDerWaalsContact O-N 3.1Å; C64-K66 PolarHBondContact O-N 2.74Å | ||
| 65 | Y | 90.7 | Very high | 69.7 | Low | 67 Ų | 67 | 100.3 Ų | 100.3 | 26% | 0.263 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | 3.1 | -174 | -67.6 | -90.6 | 0 | 0 | 0 | 114.2 | K63 L67 D68 N69 A107 A109 C112 | K63-Y65 HydrophobicContact CB-CD2 4.41Å; K63-Y65 HydrophobicContact CB-CE2 3.75Å; K63-Y65 WeakPolarHBondContact O-CD2 3.37Å; K63-Y65 WeakPolarHBondContact O-CE2 3.45Å; K63-Y65 PolarHBondContact O-N 3.36Å; Y65-L67 PolarHBondContact O-N 3.36Å; Y65-D68 PolarHBondContact O-N 2.94Å; Y65-N69 VanDerWaalsContact O-CB 3.25Å; Y65-N69 WeakPolarHBondContact O-CB 3.48Å; Y65-N69 PolarHBondContact O-N 3.09Å; Y65-N69 PolarHBondContact O-ND2 2.96Å; Y65-N69 PolarHBondContact O-OD1 3.16Å; Y65-A107 PolarHBondContact N-O 3.05Å; Y65-A109 HydrophobicContact CD2-CB 3.82Å; Y65-A109 HydrophobicContact CE1-CB 4.5Å; Y65-A109 HydrophobicContact CE2-CB 3.54Å; Y65-A109 HydrophobicContact CG-CB 4.44Å; Y65-C112 HydrophobicContact CD1-CB 3.82Å; Y65-C112 HydrophobicContact CE1-CB 4.48Å; Y65-C112 HydrophobicContact CG-CB 4.3Å |
| 66 | K | 90.4 | Very high | 73 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -53.6 | -49.1 | -172.1 | -170.4 | -166.8 | 171.3 | -162.4 | 0 | 113.1 | C64 E70 A107 | C64-K66 PolarHBondContact O-N 2.74Å; K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 PolarHBondContact O-N 3.06Å; K66-A107 HydrophobicContact CB-CB 4.04Å; K66-A107 HydrophobicContact CG-CB 4.46Å |
| 67 | L | 90.2 | Very high | 75.6 | Confident | 129 Ų | 129 | 90.5 Ų | 90.5 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72 | -38.8 | -177.1 | -64.8 | 176.1 | 0 | 0 | 0 | 112.1 | Y65 E70 K71 | Y65-L67 PolarHBondContact O-N 3.36Å; L67-E70 PolarHBondContact O-N 3.14Å; L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 2.87Å |
| 68 | D | 91.8 | Very high | 78.5 | Confident | 91 Ų | 91 | 89.3 Ų | 89.3 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.1 | -59.8 | -45.5 | 0 | 0 | 0 | 110.9 | Y65 K71 L72 | Y65-D68 PolarHBondContact O-N 2.94Å; D68-K71 PolarHBondContact O-N 3.11Å; D68-L72 WeakPolarHBondContact O-CB 3.18Å; D68-L72 VanDerWaalsContact O-CG 3.24Å; D68-L72 WeakPolarHBondContact O-CG 3.4Å; D68-L72 PolarHBondContact O-N 3.46Å |
| 69 | N | 94.8 | Very high | 81.1 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 176 | -69.5 | -9.1 | 0 | 0 | 0 | 112.5 | Y65 F73 L106 S108 F111 C112 L115 | Y65-N69 VanDerWaalsContact O-CB 3.25Å; Y65-N69 WeakPolarHBondContact O-CB 3.48Å; Y65-N69 PolarHBondContact O-N 3.09Å; Y65-N69 PolarHBondContact O-ND2 2.96Å; Y65-N69 PolarHBondContact O-OD1 3.16Å; N69-F73 VanDerWaalsContact O-CB 3.24Å; N69-F73 WeakPolarHBondContact O-CB 3.12Å; N69-F73 PolarHBondContact O-N 3.21Å; N69-L106 WeakPolarHBondContact CB-O 3.38Å; N69-L106 PolarHBondContact ND2-O 3.32Å; N69-S108 PolarHBondContact ND2-O 3.23Å; N69-F111 HydrophobicContact CB-CD1 3.8Å; N69-F111 HydrophobicContact CB-CE1 4.16Å; N69-C112 WeakPolarHBondContact OD1-CA 3.28Å; N69-C112 WeakPolarHBondContact OD1-CB 3.31Å; N69-C112 PolarHBondContact OD1-N 3.1Å; N69-L115 HydrophobicContact CB-CD1 4.3Å; N69-L115 WeakPolarHBondContact O-CD1 3.13Å |
| 70 | E | 94.3 | Very high | 84 | Confident | 107 Ų | 107 | 78.2 Ų | 78.2 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.8 | -170.7 | 161.5 | -165.4 | 0 | 0 | 110.7 | K66 L67 F73 E74 | K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 PolarHBondContact O-N 3.06Å; L67-E70 PolarHBondContact O-N 3.14Å; E70-F73 PolarHBondContact O-N 3.05Å; E70-E74 PolarHBondContact O-N 3.42Å; E70-E74 VanDerWaalsContact O-N 3.17Å |
| 71 | K | 95.1 | Very high | 86.5 | Confident | 148 Ų | 148 | 78.3 Ų | 78.3 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.8 | -50.3 | 173.4 | -177.7 | -175.5 | 174.2 | -172 | 0 | 112.9 | L67 D68 F73 E74 E75 | L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 2.87Å; D68-K71 PolarHBondContact O-N 3.11Å; K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.22Å; K71-E74 PolarHBondContact O-N 2.78Å; K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 3.14Å |
| 72 | L | 95.5 | Very high | 88.9 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -30.7 | 179.6 | -72 | 169.1 | 0 | 0 | 0 | 112 | D68 F76 L115 L119 | D68-L72 WeakPolarHBondContact O-CB 3.18Å; D68-L72 VanDerWaalsContact O-CG 3.24Å; D68-L72 WeakPolarHBondContact O-CG 3.4Å; D68-L72 PolarHBondContact O-N 3.46Å; L72-F76 PolarHBondContact O-N 2.93Å; L72-F76 VanDerWaalsContact O-N 3.1Å; L72-L115 HydrophobicContact CB-CB 3.98Å; L72-L115 HydrophobicContact CB-CD1 3.94Å; L72-L115 HydrophobicContact CD1-CB 4.49Å; L72-L119 HydrophobicContact CB-CD1 4.18Å; L72-L119 HydrophobicContact CD2-CD1 3.65Å; L72-L119 WeakPolarHBondContact O-CD1 3.2Å |
| 73 | F | 96.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -47.9 | 174.9 | -173.7 | -106.6 | 0 | 0 | 0 | 111.5 | N69 E70 K71 E75 F76 L77 L94 H95 Q98 F111 L115 L136 L140 | N69-F73 VanDerWaalsContact O-CB 3.24Å; N69-F73 WeakPolarHBondContact O-CB 3.12Å; N69-F73 PolarHBondContact O-N 3.21Å; E70-F73 PolarHBondContact O-N 3.05Å; K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.22Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.23Å; F73-F76 PolarHBondContact O-N 2.96Å; F73-F76 VanDerWaalsContact O-N 3.11Å; F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CG 4.22Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CD2 4.29Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.17Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 4.27Å; F73-L77 WeakPolarHBondContact O-CG 3.48Å; F73-L77 PolarHBondContact O-N 2.75Å; F73-L94 HydrophobicContact CZ-CB 4.22Å; F73-H95 AromaticContact CE1-ND1 4Å; F73-Q98 VanDerWaalsContact CD1-CD 3.41Å; F73-Q98 HydrophobicContact CD1-CG 4.28Å; F73-Q98 HydrophobicContact CE1-CB 3.86Å; F73-Q98 HydrophobicContact CE1-CG 3.9Å; F73-Q98 HydrophobicContact CE2-CB 4.28Å; F73-Q98 HydrophobicContact CE2-CG 4.4Å; F73-Q98 HydrophobicContact CZ-CB 3.62Å; F73-Q98 HydrophobicContact CZ-CG 3.97Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F73-L115 HydrophobicContact CB-CD1 4.15Å; F73-L115 HydrophobicContact CB-CD2 4.41Å; F73-L115 HydrophobicContact CD2-CD2 3.96Å; F73-L136 HydrophobicContact CD2-CD2 4.27Å; F73-L136 HydrophobicContact CE2-CD2 4.01Å; F73-L140 HydrophobicContact CE2-CD1 4.09Å |
| 74 | E | 95.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.9 | -166.3 | 59.7 | -139.8 | 0 | 0 | 111.8 | E70 K71 F76 L77 E78 K81 H95 | E70-E74 PolarHBondContact O-N 3.42Å; E70-E74 VanDerWaalsContact O-N 3.17Å; K71-E74 PolarHBondContact O-N 2.78Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.09Å; E74-L77 PolarHBondContact O-N 3.09Å; E74-L77 VanDerWaalsContact O-N 3.13Å; E74-E78 PolarHBondContact O-N 2.9Å; E74-K81 IonicContact OE1-NZ 2.67Å; E74-K81 PolarHBondContact OE1-NZ 3.39Å; E74-H95 IonicContact OE2-CE1 3.63Å |
| 75 | E | 95.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 172.7 | -171.1 | 176.7 | 162.5 | 0 | 0 | 112.5 | K71 F73 L79 L119 R123 | K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 3.14Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.23Å; E75-L79 PolarHBondContact O-N 3.1Å; E75-L119 HydrophobicContact CB-CD1 4.35Å; E75-L119 HydrophobicContact CB-CD2 4.48Å; E75-L119 HydrophobicContact CG-CD1 4.32Å; E75-L119 HydrophobicContact CG-CD2 4.07Å; E75-R123 IonicContact OE1-CZ 3.52Å; E75-R123 IonicContact OE1-NH1 2.66Å; E75-R123 PolarHBondContact OE1-NH1 3.15Å; E75-R123 IonicContact OE1-NH2 2.82Å; E75-R123 PolarHBondContact OE1-NH2 3.48Å |
| 76 | F | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -76 | -36 | 172.9 | -177.2 | -107.9 | 0 | 0 | 0 | 112.5 | L72 F73 E74 L79 C80 L94 V118 L119 I129 I133 L136 | L72-F76 PolarHBondContact O-N 2.93Å; L72-F76 VanDerWaalsContact O-N 3.1Å; F73-F76 PolarHBondContact O-N 2.96Å; F73-F76 VanDerWaalsContact O-N 3.11Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.09Å; F76-L79 PolarHBondContact O-N 2.94Å; F76-C80 WeakPolarHBondContact CE1-SG 3.21Å; F76-C80 VanDerWaalsContact CZ-SG 3.59Å; F76-C80 PolarHBondContact O-N 3.23Å; F76-C80 PolarHBondContact O-SG 3.02Å; F76-L94 HydrophobicContact CE1-CD1 4.27Å; F76-V118 HydrophobicContact CD1-CG1 4.42Å; F76-V118 HydrophobicContact CD2-CG1 3.61Å; F76-V118 HydrophobicContact CE1-CG1 4.12Å; F76-V118 HydrophobicContact CE2-CG1 3.24Å; F76-V118 HydrophobicContact CG-CG1 4.19Å; F76-V118 HydrophobicContact CZ-CG1 3.52Å; F76-L119 HydrophobicContact CB-CD2 3.96Å; F76-L119 HydrophobicContact CB-CG 4.07Å; F76-L119 HydrophobicContact CD2-CD2 4.18Å; F76-L119 HydrophobicContact CD2-CG 4.31Å; F76-I129 HydrophobicContact CE2-CD1 4.24Å; F76-I129 HydrophobicContact CZ-CD1 4.48Å; F76-I133 HydrophobicContact CE1-CG1 4.24Å; F76-I133 HydrophobicContact CZ-CG1 3.97Å; F76-L136 HydrophobicContact CD1-CD2 3.45Å; F76-L136 VanDerWaalsContact CD1-CD2 3.45Å; F76-L136 HydrophobicContact CE1-CD2 3.5Å; F76-L136 HydrophobicContact CG-CD2 4.43Å |
| 77 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 175.8 | -68.5 | -176.5 | 0 | 0 | 0 | 112.1 | F73 E74 L79 C80 K81 V91 L94 H95 | F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CG 4.22Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CD2 4.29Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.17Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 4.27Å; F73-L77 WeakPolarHBondContact O-CG 3.48Å; F73-L77 PolarHBondContact O-N 2.75Å; E74-L77 PolarHBondContact O-N 3.09Å; E74-L77 VanDerWaalsContact O-N 3.13Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 2.8Å; L77-C80 CarbonylContact O-C 3.56Å; L77-C80 WeakPolarHBondContact O-CA 3.23Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.08Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.18Å; L77-V91 HydrophobicContact CB-CG1 4.46Å; L77-V91 HydrophobicContact CD2-CG1 4.33Å; L77-L94 HydrophobicContact CD2-CB 3.63Å; L77-L94 HydrophobicContact CD2-CD1 3.65Å; L77-L94 HydrophobicContact CD2-CG 4.29Å; L77-H95 WeakPolarHBondContact CD1-CE1 3.24Å; L77-H95 WeakPolarHBondContact CD1-NE2 3.43Å |
| 78 | E | 93.3 | Very high | 91.7 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177 | -161.4 | 61.4 | -140.6 | 0 | 0 | 111.9 | E74 K81 T82 | E74-E78 PolarHBondContact O-N 2.9Å; E78-K81 PolarHBondContact O-N 2.7Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.46Å; E78-K81 IonicContact OE2-NZ 3.58Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; E78-T82 PolarHBondContact O-N 2.78Å; E78-T82 PolarHBondContact O-OG1 3.42Å; E78-T82 VanDerWaalsContact O-OG1 3.06Å |
| 79 | L | 92.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 170.7 | -174.7 | 67.3 | 0 | 0 | 0 | 111.5 | E75 F76 L77 T82 E83 S122 R123 I129 | E75-L79 PolarHBondContact O-N 3.1Å; F76-L79 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 2.8Å; L79-T82 PolarHBondContact O-N 3.2Å; L79-E83 HydrophobicContact CD1-CG 3.89Å; L79-E83 HydrophobicContact CG-CG 4.13Å; L79-E83 WeakPolarHBondContact O-CB 3.48Å; L79-E83 WeakPolarHBondContact O-CG 3.47Å; L79-E83 PolarHBondContact O-N 2.88Å; L79-S122 WeakPolarHBondContact CD2-OG 3.08Å; L79-R123 HydrophobicContact CD2-CG 4.2Å; L79-I129 HydrophobicContact CD2-CD1 4.4Å; L79-I129 HydrophobicContact CG-CD1 4.49Å |
| 80 | C | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | F76 L77 T82 E83 T84 V91 | F76-C80 WeakPolarHBondContact CE1-SG 3.21Å; F76-C80 VanDerWaalsContact CZ-SG 3.59Å; F76-C80 PolarHBondContact O-N 3.23Å; F76-C80 PolarHBondContact O-SG 3.02Å; L77-C80 CarbonylContact O-C 3.56Å; L77-C80 WeakPolarHBondContact O-CA 3.23Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.08Å; C80-T82 PolarHBondContact O-N 3.33Å; C80-T82 VanDerWaalsContact O-N 3.17Å; C80-E83 PolarHBondContact O-N 2.88Å; C80-T84 PolarHBondContact O-N 2.73Å; C80-T84 PolarHBondContact O-OG1 3.47Å; C80-V91 HydrophobicContact CB-CG2 3.86Å |
| 81 | K | 91.3 | Very high | 91.1 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.5 | -33.4 | 174.6 | -66.8 | 167.4 | -142.5 | 169.1 | 0 | 111.7 | E74 L77 E78 V91 | E74-K81 IonicContact OE1-NZ 2.67Å; E74-K81 PolarHBondContact OE1-NZ 3.39Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.18Å; E78-K81 PolarHBondContact O-N 2.7Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.46Å; E78-K81 IonicContact OE2-NZ 3.58Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; K81-V91 HydrophobicContact CG-CB 4.47Å; K81-V91 HydrophobicContact CG-CG1 4.18Å; K81-V91 HydrophobicContact CG-CG2 3.83Å |
| 82 | T | 89.4 | Confident | 90.8 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -81.9 | -49.5 | 178.8 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | E78 L79 C80 | E78-T82 PolarHBondContact O-N 2.78Å; E78-T82 PolarHBondContact O-OG1 3.42Å; E78-T82 VanDerWaalsContact O-OG1 3.06Å; L79-T82 PolarHBondContact O-N 3.2Å; C80-T82 PolarHBondContact O-N 3.33Å; C80-T82 VanDerWaalsContact O-N 3.17Å |
| 83 | E | 88.5 | Confident | 90.5 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -86.8 | -12.4 | -170.5 | -63.3 | -67.9 | 145.1 | 0 | 0 | 114.4 | L79 C80 P126 I129 | L79-E83 HydrophobicContact CD1-CG 3.89Å; L79-E83 HydrophobicContact CG-CG 4.13Å; L79-E83 WeakPolarHBondContact O-CB 3.48Å; L79-E83 WeakPolarHBondContact O-CG 3.47Å; L79-E83 PolarHBondContact O-N 2.88Å; C80-E83 PolarHBondContact O-N 2.88Å; E83-P126 WeakPolarHBondContact OE2-CB 3.05Å; E83-I129 HydrophobicContact CB-CB 4.26Å; E83-I129 HydrophobicContact CB-CD1 4.36Å; E83-I129 HydrophobicContact CB-CG1 3.89Å; E83-I129 HydrophobicContact CB-CG2 4.2Å |
| 84 | T | 88.3 | Confident | 90.3 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 42.9 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 112 | C80 D86 H87 I129 Y130 I133 | C80-T84 PolarHBondContact O-N 2.73Å; C80-T84 PolarHBondContact O-OG1 3.47Å; T84-D86 PolarHBondContact O-N 3.37Å; T84-H87 CarbonylContact O-C 3.21Å; T84-H87 WeakPolarHBondContact O-CA 3.23Å; T84-H87 PolarHBondContact O-N 3.42Å; T84-I129 HydrophobicContact CG2-CG1 4.2Å; T84-I129 HydrophobicContact CG2-CG2 3.98Å; T84-Y130 WeakPolarHBondContact CB-OH 3.29Å; T84-Y130 HydrophobicContact CG2-CD1 4.23Å; T84-Y130 HydrophobicContact CG2-CE1 3.53Å; T84-Y130 HydrophobicContact CG2-CE2 4.28Å; T84-I133 HydrophobicContact CG2-CD1 3.59Å |
| 85 | S | 85.2 | Confident | 90.1 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.6 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | H87 | S85-H87 PolarHBondContact O-N 2.86Š|
| 86 | D | 86.2 | Confident | 89.9 | Confident | 137 Ų | 137 | 62.4 Ų | 62.4 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.6 | 172 | -58.2 | -54.9 | 0 | 0 | 0 | 113.5 | T84 | T84-D86 PolarHBondContact O-N 3.37Š|
| 87 | H | 84.9 | Confident | 89.6 | Confident | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | trans | -132.4 | 63.2 | -172.1 | -75.9 | -70.6 | 0 | 0 | 0 | 112.2 | T84 S85 E89 V90 Y130 | T84-H87 CarbonylContact O-C 3.21Å; T84-H87 WeakPolarHBondContact O-CA 3.23Å; T84-H87 PolarHBondContact O-N 3.42Å; S85-H87 PolarHBondContact O-N 2.86Å; H87-E89 WeakPolarHBondContact CA-OE2 3.42Å; H87-E89 IonicContact CE1-OE1 3.27Å; H87-E89 IonicContact CG-OE1 2.66Å; H87-E89 IonicContact ND1-OE1 3.27Å; H87-E89 PolarHBondContact ND1-OE1 3.01Å; H87-E89 PolarHBondContact O-N 2.73Å; H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 WeakPolarHBondContact O-CB 3.49Å; H87-V90 VanDerWaalsContact O-CG2 3.3Å; H87-V90 WeakPolarHBondContact O-CG2 3.11Å; H87-V90 PolarHBondContact O-N 3.2Å; H87-V90 VanDerWaalsContact O-N 3.13Å; H87-Y130 HydrophobicContact CB-CE1 4.49Å | ||
| 88 | P | 86.5 | Confident | 89.5 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.2 | -175.9 | 27.1 | -36.1 | 0 | 0 | 0 | 114.2 | V90 P92 | P88-V90 PolarHBondContact O-N 3.29Å; P88-P92 WeakPolarHBondContact O-CD 3.36Å |
| 89 | E | 89.1 | Confident | 89.3 | Confident | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.8 | 174.5 | 66.5 | -83.8 | -167.2 | 0 | 0 | 114.4 | H87 V91 P92 F93 | H87-E89 WeakPolarHBondContact CA-OE2 3.42Å; H87-E89 IonicContact CE1-OE1 3.27Å; H87-E89 IonicContact CG-OE1 2.66Å; H87-E89 IonicContact ND1-OE1 3.27Å; H87-E89 PolarHBondContact ND1-OE1 3.01Å; H87-E89 PolarHBondContact O-N 2.73Å; E89-V91 PolarHBondContact O-N 3.23Å; E89-P92 WeakPolarHBondContact O-CD 3.38Å; E89-F93 VanDerWaalsContact O-CB 3.28Å; E89-F93 WeakPolarHBondContact O-CB 3.42Å; E89-F93 PolarHBondContact O-N 3.02Å |
| 90 | V | 89.4 | Confident | 89.2 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | -179.3 | 167.1 | 0 | 0 | 0 | 0 | 112.3 | H87 P88 F93 L94 Y130 I133 | H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 WeakPolarHBondContact O-CB 3.49Å; H87-V90 VanDerWaalsContact O-CG2 3.3Å; H87-V90 WeakPolarHBondContact O-CG2 3.11Å; H87-V90 PolarHBondContact O-N 3.2Å; H87-V90 VanDerWaalsContact O-N 3.13Å; P88-V90 PolarHBondContact O-N 3.29Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.38Å; V90-L94 HydrophobicContact CG1-CD1 3.98Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 3.05Å; V90-Y130 HydrophobicContact CG2-CE1 4.47Å; V90-I133 HydrophobicContact CG1-CD1 3.81Å; V90-I133 HydrophobicContact CG1-CG1 4.37Å; V90-I133 HydrophobicContact CG1-CG2 4.09Å |
| 91 | V | 89.8 | Confident | 89.2 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.9 | -47 | -173.9 | 169.4 | 0 | 0 | 0 | 0 | 112 | L77 C80 K81 E89 F93 L94 H95 | L77-V91 HydrophobicContact CB-CG1 4.46Å; L77-V91 HydrophobicContact CD2-CG1 4.33Å; C80-V91 HydrophobicContact CB-CG2 3.86Å; K81-V91 HydrophobicContact CG-CB 4.47Å; K81-V91 HydrophobicContact CG-CG1 4.18Å; K81-V91 HydrophobicContact CG-CG2 3.83Å; E89-V91 PolarHBondContact O-N 3.23Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 2.88Å; V91-L94 PolarHBondContact O-N 2.99Å; V91-H95 PolarHBondContact O-N 3.1Å |
| 92 | P | 89 | Confident | 89.3 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.2 | -36.2 | 167.3 | -26.4 | 35.4 | 0 | 0 | 0 | 113.7 | P88 E89 K96 | P88-P92 WeakPolarHBondContact O-CD 3.36Å; E89-P92 WeakPolarHBondContact O-CD 3.38Å; P92-K96 VanDerWaalsContact O-CB 3.24Å; P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.96Å |
| 93 | F | 89.6 | Confident | 89.3 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.2 | 179.9 | -98.6 | 0 | 0 | 0 | 112 | E89 V90 V91 K96 L97 | E89-F93 VanDerWaalsContact O-CB 3.28Å; E89-F93 WeakPolarHBondContact O-CB 3.42Å; E89-F93 PolarHBondContact O-N 3.02Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.38Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 2.88Å; F93-K96 PolarHBondContact O-N 2.82Å; F93-L97 HydrophobicContact CE1-CD2 4.27Å; F93-L97 WeakPolarHBondContact O-CB 3.49Å; F93-L97 PolarHBondContact O-N 2.88Å |
| 94 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 176.2 | -76.9 | 168.6 | 0 | 0 | 0 | 112.2 | F73 F76 L77 V90 V91 K96 L97 Q98 I133 L136 C137 | F73-L94 HydrophobicContact CZ-CB 4.22Å; F76-L94 HydrophobicContact CE1-CD1 4.27Å; L77-L94 HydrophobicContact CD2-CB 3.63Å; L77-L94 HydrophobicContact CD2-CD1 3.65Å; L77-L94 HydrophobicContact CD2-CG 4.29Å; V90-L94 HydrophobicContact CG1-CD1 3.98Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 3.05Å; V91-L94 PolarHBondContact O-N 2.99Å; L94-K96 PolarHBondContact O-N 3.02Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-Q98 PolarHBondContact O-N 2.97Å; L94-I133 HydrophobicContact CD1-CG2 4.38Å; L94-I133 HydrophobicContact CD2-CG2 4.47Å; L94-L136 HydrophobicContact CD2-CD2 4.36Å; L94-C137 VanDerWaalsContact CD2-SG 3.51Å |
| 95 | H | 91.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 173.6 | -79.2 | -64.3 | 0 | 0 | 0 | 112 | F73 E74 L77 V91 L97 Q98 Q99 | F73-H95 AromaticContact CE1-ND1 4Å; E74-H95 IonicContact OE2-CE1 3.63Å; L77-H95 WeakPolarHBondContact CD1-CE1 3.24Å; L77-H95 WeakPolarHBondContact CD1-NE2 3.43Å; V91-H95 PolarHBondContact O-N 3.1Å; H95-L97 PolarHBondContact O-N 3.17Å; H95-Q98 PolarHBondContact O-N 3.24Å; H95-Q99 WeakPolarHBondContact O-CB 3.28Å; H95-Q99 VanDerWaalsContact O-CG 3.31Å; H95-Q99 WeakPolarHBondContact O-CG 3.3Å; H95-Q99 PolarHBondContact O-N 3.17Å |
| 96 | K | 90.3 | Very high | 90.1 | Very high | 137 Ų | 137 | 72.4 Ų | 72.4 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -25.1 | 178.7 | -176.7 | 174.6 | -177.5 | 175.6 | 0 | 112.6 | P92 F93 L94 R100 | P92-K96 VanDerWaalsContact O-CB 3.24Å; P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.96Å; F93-K96 PolarHBondContact O-N 2.82Å; L94-K96 PolarHBondContact O-N 3.02Å; K96-R100 WeakPolarHBondContact O-CD 3.41Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å |
| 97 | L | 89.8 | Confident | 90.5 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -86.2 | -40.3 | 177.3 | -168.6 | 62.4 | 0 | 0 | 0 | 112 | F93 L94 H95 R100 A101 C137 L140 K141 | F93-L97 HydrophobicContact CE1-CD2 4.27Å; F93-L97 WeakPolarHBondContact O-CB 3.49Å; F93-L97 PolarHBondContact O-N 2.88Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-L97 VanDerWaalsContact O-N 3.14Å; H95-L97 PolarHBondContact O-N 3.17Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.08Å; L97-A101 PolarHBondContact O-N 2.92Å; L97-C137 HydrophobicContact CD2-CB 3.94Å; L97-L140 HydrophobicContact CD2-CB 3.87Å; L97-L140 HydrophobicContact CG-CB 3.71Å; L97-K141 HydrophobicContact CD1-CG 3.79Å; L97-K141 HydrophobicContact CD2-CG 4.1Å |
| 98 | Q | 90.9 | Very high | 90.9 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 170.3 | -172.1 | -151.8 | 26.5 | 0 | 0 | 111.2 | F73 L94 H95 R100 A101 L106 L140 | F73-Q98 VanDerWaalsContact CD1-CD 3.41Å; F73-Q98 HydrophobicContact CD1-CG 4.28Å; F73-Q98 HydrophobicContact CE1-CB 3.86Å; F73-Q98 HydrophobicContact CE1-CG 3.9Å; F73-Q98 HydrophobicContact CE2-CB 4.28Å; F73-Q98 HydrophobicContact CE2-CG 4.4Å; F73-Q98 HydrophobicContact CZ-CB 3.62Å; F73-Q98 HydrophobicContact CZ-CG 3.97Å; L94-Q98 PolarHBondContact O-N 2.97Å; H95-Q98 PolarHBondContact O-N 3.24Å; Q98-R100 PolarHBondContact O-N 3.17Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.24Å; Q98-L106 HydrophobicContact CG-CD1 4.37Å; Q98-L106 HydrophobicContact CG-CD2 3.85Å; Q98-L140 HydrophobicContact CB-CD1 4.4Å |
| 99 | Q | 89.8 | Confident | 91.3 | Very high | 154 Ų | 154 | 62 Ų | 62 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.4 | 175.1 | -72.7 | 175 | -0.5 | 0 | 0 | 114.1 | H95 | H95-Q99 WeakPolarHBondContact O-CB 3.28Å; H95-Q99 VanDerWaalsContact O-CG 3.31Å; H95-Q99 WeakPolarHBondContact O-CG 3.3Å; H95-Q99 PolarHBondContact O-N 3.17Å |
| 100 | R | 89.8 | Confident | 91.5 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -9.2 | 175 | -70.5 | 177.2 | 67 | -172.1 | 1.2 | 113.2 | K96 L97 Q98 S144 I145 | K96-R100 WeakPolarHBondContact O-CD 3.41Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.08Å; Q98-R100 PolarHBondContact O-N 3.17Å; R100-S144 CarbonylContact O-C 3.5Å; R100-S144 VanDerWaalsContact O-CA 3.25Å; R100-S144 WeakPolarHBondContact O-CA 3.34Å; R100-I145 PolarHBondContact O-N 3.46Å |
| 101 | A | 91.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 155.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L97 Q98 L106 L140 H143 | L97-A101 PolarHBondContact O-N 2.92Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.24Å; A101-L106 HydrophobicContact CB-CD1 4.19Å; A101-L106 HydrophobicContact CB-CD2 3.94Å; A101-L106 HydrophobicContact CB-CG 4Å; A101-L140 HydrophobicContact CB-CD2 3.92Å; A101-H143 CarbonylContact C-O 3.58Å; A101-H143 WeakPolarHBondContact CA-O 3.4Å |
| 102 | Q | 93.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | trans | -68.2 | 133.7 | 177 | -69.4 | 168.8 | 29.1 | 0 | 0 | 110.9 | V104 F105 L106 H143 I145 | Q102-V104 PolarHBondContact O-N 3.29Å; Q102-F105 HydrophobicContact CB-CB 4.34Å; Q102-F105 WeakPolarHBondContact O-CB 3.3Å; Q102-F105 PolarHBondContact O-N 2.94Å; Q102-L106 PolarHBondContact O-N 3.35Å; Q102-H143 WeakPolarHBondContact CG-O 3.31Å; Q102-H143 PolarHBondContact N-O 3.25Å; Q102-I145 HydrophobicContact CG-CG1 3.8Å | ||
| 103 | S | 90.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 61.6 Ų | 61.6 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59 | -33.1 | -179.2 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | L106 A107 | S103-L106 PolarHBondContact O-N 3.43Å; S103-A107 PolarHBondContact O-N 3.06Å; S103-A107 VanDerWaalsContact O-N 3.15Å |
| 104 | V | 90.9 | Very high | 92.8 | Very high | 117 Ų | 117 | 57.4 Ų | 57.4 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | Q102 A107 S108 | Q102-V104 PolarHBondContact O-N 3.29Å; V104-A107 PolarHBondContact O-N 3.05Å; V104-S108 PolarHBondContact O-N 3.43Å |
| 105 | F | 94.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.9 | 174.7 | -97.9 | 0 | 0 | 0 | 111.5 | Q102 A107 S108 E110 F111 V139 L140 H143 | Q102-F105 HydrophobicContact CB-CB 4.34Å; Q102-F105 WeakPolarHBondContact O-CB 3.3Å; Q102-F105 PolarHBondContact O-N 2.94Å; F105-A107 PolarHBondContact O-N 3.01Å; F105-S108 VanDerWaalsContact O-CB 3.22Å; F105-S108 WeakPolarHBondContact O-CB 3.33Å; F105-S108 PolarHBondContact O-N 2.91Å; F105-S108 PolarHBondContact O-OG 3.31Å; F105-E110 HydrophobicContact CE2-CG 4.39Å; F105-F111 HydrophobicContact CD1-CB 4.46Å; F105-F111 HydrophobicContact CD1-CD2 4.36Å; F105-F111 HydrophobicContact CD1-CG 4.4Å; F105-F111 HydrophobicContact CE1-CB 3.94Å; F105-F111 AromaticContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CE2 4.01Å; F105-F111 AromaticContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE2-CB 4.32Å; F105-F111 HydrophobicContact CZ-CB 3.84Å; F105-F111 AromaticContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CG 4.06Å; F105-F111 WeakPolarHBondContact O-CB 3.31Å; F105-V139 HydrophobicContact CE1-CG1 3.92Å; F105-V139 HydrophobicContact CE2-CG1 4.26Å; F105-V139 HydrophobicContact CZ-CG1 3.35Å; F105-L140 HydrophobicContact CE1-CD2 4.24Å; F105-H143 HydrophobicContact CB-CB 4.01Å; F105-H143 HydrophobicContact CD1-CB 3.75Å; F105-H143 HydrophobicContact CD2-CB 4.03Å; F105-H143 AromaticContact CD2-CD2 3.79Å; F105-H143 AromaticContact CD2-CE1 3.68Å; F105-H143 AromaticContact CD2-CG 3.45Å; F105-H143 VanDerWaalsContact CD2-CG 3.45Å; F105-H143 AromaticContact CD2-ND1 3.37Å; F105-H143 WeakPolarHBondContact CD2-ND1 3.11Å; F105-H143 AromaticContact CD2-NE2 3.97Å; F105-H143 HydrophobicContact CE1-CB 4.28Å; F105-H143 AromaticContact CE2-CD2 3.57Å; F105-H143 AromaticContact CE2-CE1 3.83Å; F105-H143 AromaticContact CE2-CG 3.75Å; F105-H143 AromaticContact CE2-ND1 3.9Å; F105-H143 AromaticContact CE2-NE2 3.68Å; F105-H143 HydrophobicContact CG-CB 3.62Å; F105-H143 AromaticContact CG-CG 3.61Å; F105-H143 AromaticContact CG-ND1 3.83Å; F105-H143 AromaticContact CZ-CD2 3.87Å |
| 106 | L | 93.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -21.5 | 177.3 | -66.1 | 175.3 | 0 | 0 | 0 | 113.7 | N69 Q98 A101 Q102 S103 F111 L140 | N69-L106 WeakPolarHBondContact CB-O 3.38Å; N69-L106 PolarHBondContact ND2-O 3.32Å; Q98-L106 HydrophobicContact CG-CD1 4.37Å; Q98-L106 HydrophobicContact CG-CD2 3.85Å; A101-L106 HydrophobicContact CB-CD1 4.19Å; A101-L106 HydrophobicContact CB-CD2 3.94Å; A101-L106 HydrophobicContact CB-CG 4Å; Q102-L106 PolarHBondContact O-N 3.35Å; S103-L106 PolarHBondContact O-N 3.43Å; L106-F111 HydrophobicContact CD2-CD1 4.01Å; L106-F111 HydrophobicContact CD2-CE1 3.48Å; L106-F111 VanDerWaalsContact CD2-CE1 3.48Å; L106-F111 HydrophobicContact CD2-CZ 3.77Å; L106-L140 HydrophobicContact CD2-CD2 4.14Å |
| 107 | A | 93 | Very high | 93.4 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y65 K66 S103 V104 F105 | Y65-A107 PolarHBondContact N-O 3.05Å; K66-A107 HydrophobicContact CB-CB 4.04Å; K66-A107 HydrophobicContact CG-CB 4.46Å; S103-A107 PolarHBondContact O-N 3.06Å; S103-A107 VanDerWaalsContact O-N 3.15Å; V104-A107 PolarHBondContact O-N 3.05Å; F105-A107 PolarHBondContact O-N 3.01Å |
| 108 | S | 94.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -85.9 | 158.1 | -172.4 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | N69 V104 F105 E110 F111 C112 | N69-S108 PolarHBondContact ND2-O 3.23Å; V104-S108 PolarHBondContact O-N 3.43Å; F105-S108 VanDerWaalsContact O-CB 3.22Å; F105-S108 WeakPolarHBondContact O-CB 3.33Å; F105-S108 PolarHBondContact O-N 2.91Å; F105-S108 PolarHBondContact O-OG 3.31Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact OG-N 3Å; S108-F111 PolarHBondContact OG-N 2.83Å; S108-F111 VanDerWaalsContact OG-N 3.07Å; S108-C112 PolarHBondContact O-N 3.13Å |
| 109 | A | 94.2 | Very high | 93.9 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 31% | 0.314 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y65 C112 N113 | Y65-A109 HydrophobicContact CD2-CB 3.82Å; Y65-A109 HydrophobicContact CE1-CB 4.5Å; Y65-A109 HydrophobicContact CE2-CB 3.54Å; Y65-A109 HydrophobicContact CG-CB 4.44Å; A109-C112 WeakPolarHBondContact O-CB 3.28Å; A109-C112 PolarHBondContact O-N 3.23Å; A109-N113 VanDerWaalsContact O-CG 3.24Å; A109-N113 PolarHBondContact O-N 3.03Å; A109-N113 PolarHBondContact O-ND2 3.14Å |
| 110 | E | 94.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 177.7 | -169.6 | -162.8 | 155.9 | 0 | 0 | 110.8 | F105 S108 C112 N113 I114 H143 | F105-E110 HydrophobicContact CE2-CG 4.39Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact OG-N 3Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.17Å; E110-N113 PolarHBondContact O-N 3.39Å; E110-I114 HydrophobicContact CG-CD1 4.03Å; E110-I114 VanDerWaalsContact O-CG1 3.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.45Å; E110-I114 PolarHBondContact O-N 3.47Å; E110-H143 IonicContact OE1-NE2 2.83Å |
| 111 | F | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.2 | -170.7 | -130 | 0 | 0 | 0 | 112 | N69 F73 F105 L106 S108 I114 L115 L136 L140 | N69-F111 HydrophobicContact CB-CD1 3.8Å; N69-F111 HydrophobicContact CB-CE1 4.16Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F105-F111 HydrophobicContact CD1-CB 4.46Å; F105-F111 HydrophobicContact CD1-CD2 4.36Å; F105-F111 HydrophobicContact CD1-CG 4.4Å; F105-F111 HydrophobicContact CE1-CB 3.94Å; F105-F111 AromaticContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CE2 4.01Å; F105-F111 AromaticContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE2-CB 4.32Å; F105-F111 HydrophobicContact CZ-CB 3.84Å; F105-F111 AromaticContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CG 4.06Å; F105-F111 WeakPolarHBondContact O-CB 3.31Å; L106-F111 HydrophobicContact CD2-CD1 4.01Å; L106-F111 HydrophobicContact CD2-CE1 3.48Å; L106-F111 VanDerWaalsContact CD2-CE1 3.48Å; L106-F111 HydrophobicContact CD2-CZ 3.77Å; S108-F111 PolarHBondContact OG-N 2.83Å; S108-F111 VanDerWaalsContact OG-N 3.07Å; F111-I114 PolarHBondContact O-N 2.69Å; F111-L115 HydrophobicContact CD1-CD1 3.91Å; F111-L115 HydrophobicContact CD2-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CG 4.18Å; F111-L115 HydrophobicContact CE1-CD1 3.61Å; F111-L115 HydrophobicContact CE1-CG 4.34Å; F111-L115 HydrophobicContact CE2-CD1 4.12Å; F111-L115 HydrophobicContact CE2-CD2 4Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.29Å; F111-L115 HydrophobicContact CG-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 3.72Å; F111-L115 HydrophobicContact CZ-CD2 4.02Å; F111-L115 HydrophobicContact CZ-CG 4.02Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.37Å; F111-L115 PolarHBondContact O-N 2.96Å; F111-L136 HydrophobicContact CE2-CD1 3.94Å; F111-L140 HydrophobicContact CE2-CD2 3.71Å; F111-L140 HydrophobicContact CE2-CG 4.41Å; F111-L140 HydrophobicContact CZ-CD2 3.97Å |
| 112 | C | 94.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 10% | 0.095 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 172.3 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | Y65 N69 S108 A109 E110 L115 S116 | Y65-C112 HydrophobicContact CD1-CB 3.82Å; Y65-C112 HydrophobicContact CE1-CB 4.48Å; Y65-C112 HydrophobicContact CG-CB 4.3Å; N69-C112 WeakPolarHBondContact OD1-CA 3.28Å; N69-C112 WeakPolarHBondContact OD1-CB 3.31Å; N69-C112 PolarHBondContact OD1-N 3.1Å; S108-C112 PolarHBondContact O-N 3.13Å; A109-C112 WeakPolarHBondContact O-CB 3.28Å; A109-C112 PolarHBondContact O-N 3.23Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.17Å; C112-L115 PolarHBondContact O-N 3.15Å; C112-S116 VanDerWaalsContact O-CB 3.29Å; C112-S116 WeakPolarHBondContact O-CB 3.27Å; C112-S116 PolarHBondContact O-N 3.37Å; C112-S116 PolarHBondContact O-OG 2.8Å |
| 113 | N | 96 | Very high | 94.5 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | -180 | -69.2 | -19.4 | 0 | 0 | 0 | 111.6 | A109 E110 R117 | A109-N113 VanDerWaalsContact O-CG 3.24Å; A109-N113 PolarHBondContact O-N 3.03Å; A109-N113 PolarHBondContact O-ND2 3.14Å; E110-N113 PolarHBondContact O-N 3.39Å; N113-R117 WeakPolarHBondContact O-CB 3.19Å; N113-R117 PolarHBondContact O-N 2.81Å |
| 114 | I | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 177.1 | -69 | 167.6 | 0 | 0 | 0 | 110.8 | E110 F111 R117 V118 L136 V139 | E110-I114 HydrophobicContact CG-CD1 4.03Å; E110-I114 VanDerWaalsContact O-CG1 3.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.45Å; E110-I114 PolarHBondContact O-N 3.47Å; F111-I114 PolarHBondContact O-N 2.69Å; I114-R117 PolarHBondContact O-N 3.35Å; I114-V118 HydrophobicContact CG2-CG2 4.41Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 2.91Å; I114-L136 HydrophobicContact CG2-CD1 4.35Å; I114-V139 HydrophobicContact CD1-CG1 3.87Å; I114-V139 HydrophobicContact CD1-CG2 4.15Å; I114-V139 HydrophobicContact CG2-CG2 4.33Å |
| 115 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.5 | -70.8 | 173.9 | 0 | 0 | 0 | 111.8 | N69 L72 F73 F111 C112 R117 V118 L119 L136 | N69-L115 HydrophobicContact CB-CD1 4.3Å; N69-L115 WeakPolarHBondContact O-CD1 3.13Å; L72-L115 HydrophobicContact CB-CB 3.98Å; L72-L115 HydrophobicContact CB-CD1 3.94Å; L72-L115 HydrophobicContact CD1-CB 4.49Å; F73-L115 HydrophobicContact CB-CD1 4.15Å; F73-L115 HydrophobicContact CB-CD2 4.41Å; F73-L115 HydrophobicContact CD2-CD2 3.96Å; F111-L115 HydrophobicContact CD1-CD1 3.91Å; F111-L115 HydrophobicContact CD2-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CG 4.18Å; F111-L115 HydrophobicContact CE1-CD1 3.61Å; F111-L115 HydrophobicContact CE1-CG 4.34Å; F111-L115 HydrophobicContact CE2-CD1 4.12Å; F111-L115 HydrophobicContact CE2-CD2 4Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.29Å; F111-L115 HydrophobicContact CG-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 3.72Å; F111-L115 HydrophobicContact CZ-CD2 4.02Å; F111-L115 HydrophobicContact CZ-CG 4.02Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.37Å; F111-L115 PolarHBondContact O-N 2.96Å; C112-L115 PolarHBondContact O-N 3.15Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.93Å; L115-V118 PolarHBondContact O-N 3.4Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.23Å; L115-L136 HydrophobicContact CD2-CD1 3.76Å; L115-L136 HydrophobicContact CD2-CD2 4.06Å |
| 116 | S | 95.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | C112 A120 | C112-S116 VanDerWaalsContact O-CB 3.29Å; C112-S116 WeakPolarHBondContact O-CB 3.27Å; C112-S116 PolarHBondContact O-N 3.37Å; C112-S116 PolarHBondContact O-OG 2.8Å; S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 2.88Å |
| 117 | R | 96.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.1 | -178.1 | 176.2 | 78.3 | -150.5 | 2.8 | 112 | N113 I114 L115 R121 E135 | N113-R117 WeakPolarHBondContact O-CB 3.19Å; N113-R117 PolarHBondContact O-N 2.81Å; I114-R117 PolarHBondContact O-N 3.35Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.93Å; R117-R121 WeakPolarHBondContact O-CB 3.49Å; R117-R121 WeakPolarHBondContact O-CD 3.14Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.14Å; R117-E135 IonicContact CZ-OE1 2.8Å; R117-E135 VanDerWaalsContact CZ-OE1 3.27Å; R117-E135 IonicContact NE-OE1 3.76Å; R117-E135 PolarHBondContact NE-OE1 2.82Å; R117-E135 IonicContact NH2-OE1 3.86Å; R117-E135 PolarHBondContact NH2-OE1 2.92Å |
| 118 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 179.4 | 159.2 | 0 | 0 | 0 | 0 | 110.7 | F76 I114 L115 R121 S122 E135 | F76-V118 HydrophobicContact CD1-CG1 4.42Å; F76-V118 HydrophobicContact CD2-CG1 3.61Å; F76-V118 HydrophobicContact CE1-CG1 4.12Å; F76-V118 HydrophobicContact CE2-CG1 3.24Å; F76-V118 HydrophobicContact CG-CG1 4.19Å; F76-V118 HydrophobicContact CZ-CG1 3.52Å; I114-V118 HydrophobicContact CG2-CG2 4.41Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 2.91Å; L115-V118 PolarHBondContact O-N 3.4Å; V118-R121 PolarHBondContact O-N 2.93Å; V118-S122 WeakPolarHBondContact O-CB 3.4Å; V118-S122 PolarHBondContact O-N 3.2Å; V118-S122 PolarHBondContact O-OG 3.04Å; V118-E135 HydrophobicContact CG2-CG 4.29Å |
| 119 | L | 95.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 174.7 | -88.3 | 166.8 | 0 | 0 | 0 | 113.6 | L72 E75 F76 L115 R121 S122 R123 | L72-L119 HydrophobicContact CB-CD1 4.18Å; L72-L119 HydrophobicContact CD2-CD1 3.65Å; L72-L119 WeakPolarHBondContact O-CD1 3.2Å; E75-L119 HydrophobicContact CB-CD1 4.35Å; E75-L119 HydrophobicContact CB-CD2 4.48Å; E75-L119 HydrophobicContact CG-CD1 4.32Å; E75-L119 HydrophobicContact CG-CD2 4.07Å; F76-L119 HydrophobicContact CB-CD2 3.96Å; F76-L119 HydrophobicContact CB-CG 4.07Å; F76-L119 HydrophobicContact CD2-CD2 4.18Å; F76-L119 HydrophobicContact CD2-CG 4.31Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.23Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 2.81Å; L119-S122 WeakPolarHBondContact CA-OG 3.43Å; L119-S122 PolarHBondContact O-OG 3.4Å; L119-S122 VanDerWaalsContact O-OG 3.05Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CG 3.47Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-R123 VanDerWaalsContact O-N 3.1Å |
| 120 | A | 94.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 68 Ų | 68 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S116 K124 | S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 2.88Å; A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.1Å |
| 121 | R | 96.1 | Very high | 94.5 | Very high | 107 Ų | 107 | 67.5 Ų | 67.5 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.6 | -46.5 | 177.5 | -75.7 | 171.8 | 173.5 | -176.6 | -3.6 | 112.5 | R117 V118 L119 K124 R125 Y132 E135 | R117-R121 WeakPolarHBondContact O-CB 3.49Å; R117-R121 WeakPolarHBondContact O-CD 3.14Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.14Å; V118-R121 PolarHBondContact O-N 2.93Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 2.81Å; R121-K124 PolarHBondContact O-N 3.24Å; R121-R125 PolarHBondContact O-N 2.91Å; R121-Y132 HydrophobicContact CB-CD1 4.06Å; R121-Y132 HydrophobicContact CB-CD2 4.4Å; R121-Y132 HydrophobicContact CB-CE1 3.74Å; R121-Y132 HydrophobicContact CB-CE2 4.08Å; R121-Y132 HydrophobicContact CB-CG 4.4Å; R121-Y132 HydrophobicContact CG-CE1 4.35Å; R121-E135 IonicContact NH1-OE1 2.67Å; R121-E135 PolarHBondContact NH1-OE1 2.88Å; R121-E135 IonicContact NH1-OE2 3.71Å; R121-E135 PolarHBondContact NH1-OE2 3.17Å |
| 122 | S | 93.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | L79 V118 L119 K124 R125 P126 | L79-S122 WeakPolarHBondContact CD2-OG 3.08Å; V118-S122 WeakPolarHBondContact O-CB 3.4Å; V118-S122 PolarHBondContact O-N 3.2Å; V118-S122 PolarHBondContact O-OG 3.04Å; L119-S122 WeakPolarHBondContact CA-OG 3.43Å; L119-S122 PolarHBondContact O-OG 3.4Å; L119-S122 VanDerWaalsContact O-OG 3.05Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.07Å; S122-R125 CarbonylContact O-C 3.26Å; S122-R125 VanDerWaalsContact O-C 3.26Å; S122-R125 PolarHBondContact O-N 3.34Å; S122-P126 WeakPolarHBondContact O-CA 3.39Å; S122-P126 VanDerWaalsContact O-N 3.1Å |
| 123 | R | 93.1 | Very high | 94.4 | Very high | 145 Ų | 145 | 68.5 Ų | 68.5 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 173.9 | -75.8 | 178 | 167 | 145.7 | 2 | 113.5 | E75 L79 L119 | E75-R123 IonicContact OE1-CZ 3.52Å; E75-R123 IonicContact OE1-NH1 2.66Å; E75-R123 PolarHBondContact OE1-NH1 3.15Å; E75-R123 IonicContact OE1-NH2 2.82Å; E75-R123 PolarHBondContact OE1-NH2 3.48Å; L79-R123 HydrophobicContact CD2-CG 4.2Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CG 3.47Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-R123 VanDerWaalsContact O-N 3.1Å |
| 124 | K | 93.9 | Very high | 94.2 | Very high | 171 Ų | 171 | 67.7 Ų | 67.7 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -79.7 | -22.9 | 179.2 | -170.1 | 165.3 | -176.8 | 170.5 | 0 | 113.3 | A120 R121 S122 | A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.1Å; R121-K124 PolarHBondContact O-N 3.24Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.07Å |
| 125 | R | 93.6 | Very high | 94.1 | Very high | 158 Ų | 158 | 69 Ų | 69 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | trans | -145.9 | 69.2 | -174.9 | -67.6 | -174 | 170.8 | 136.9 | -4.8 | 111.8 | R121 S122 A127 K128 Y132 | R121-R125 PolarHBondContact O-N 2.91Å; S122-R125 CarbonylContact O-C 3.26Å; S122-R125 VanDerWaalsContact O-C 3.26Å; S122-R125 PolarHBondContact O-N 3.34Å; R125-A127 PolarHBondContact O-N 2.92Å; R125-K128 PolarHBondContact O-N 3.1Å; R125-Y132 HydrophobicContact CB-CE2 4.42Å | ||
| 126 | P | 90.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 69 Ų | 69 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -54 | -37.9 | -178.6 | 16 | -29.8 | 0 | 0 | 0 | 113.6 | E83 S122 K128 I129 | E83-P126 WeakPolarHBondContact OE2-CB 3.05Å; S122-P126 WeakPolarHBondContact O-CA 3.39Å; S122-P126 VanDerWaalsContact O-N 3.1Å; P126-K128 PolarHBondContact O-N 3.16Å; P126-I129 VanDerWaalsContact O-CB 3.3Å; P126-I129 WeakPolarHBondContact O-CB 3.24Å; P126-I129 PolarHBondContact O-N 3.49Å |
| 127 | A | 91.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 66.9 Ų | 66.9 | 88% | 0.876 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -59.2 | -3.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R125 | R125-A127 PolarHBondContact O-N 2.92Š|
| 128 | K | 93.8 | Very high | 93.8 | Very high | 121 Ų | 121 | 65.3 Ų | 65.3 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -117.2 | 18.7 | 170.6 | -64.5 | -162.9 | 175.9 | -167.8 | 0 | 113.6 | R125 P126 Y130 V131 Y132 | R125-K128 PolarHBondContact O-N 3.1Å; P126-K128 PolarHBondContact O-N 3.16Å; K128-Y130 VanDerWaalsContact C-N 3.3Å; K128-Y130 PolarHBondContact O-N 3.24Å; K128-V131 HydrophobicContact CB-CB 4.42Å; K128-V131 HydrophobicContact CB-CG2 4.21Å; K128-V131 WeakPolarHBondContact O-CA 3.35Å; K128-V131 VanDerWaalsContact O-CB 3.31Å; K128-V131 WeakPolarHBondContact O-CB 2.99Å; K128-V131 PolarHBondContact O-N 2.86Å; K128-Y132 HydrophobicContact CB-CD2 4.46Å; K128-Y132 HydrophobicContact CB-CE2 3.73Å; K128-Y132 VanDerWaalsContact O-CD2 3.29Å; K128-Y132 WeakPolarHBondContact O-CD2 3.16Å; K128-Y132 PolarHBondContact O-N 2.72Å |
| 129 | I | 93.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -49.8 | -45.5 | -178.2 | -169.4 | 68.2 | 0 | 0 | 0 | 112.9 | F76 L79 E83 T84 P126 V131 Y132 I133 | F76-I129 HydrophobicContact CE2-CD1 4.24Å; F76-I129 HydrophobicContact CZ-CD1 4.48Å; L79-I129 HydrophobicContact CD2-CD1 4.4Å; L79-I129 HydrophobicContact CG-CD1 4.49Å; E83-I129 HydrophobicContact CB-CB 4.26Å; E83-I129 HydrophobicContact CB-CD1 4.36Å; E83-I129 HydrophobicContact CB-CG1 3.89Å; E83-I129 HydrophobicContact CB-CG2 4.2Å; T84-I129 HydrophobicContact CG2-CG1 4.2Å; T84-I129 HydrophobicContact CG2-CG2 3.98Å; P126-I129 VanDerWaalsContact O-CB 3.3Å; P126-I129 WeakPolarHBondContact O-CB 3.24Å; P126-I129 PolarHBondContact O-N 3.49Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.04Å; I129-Y132 PolarHBondContact O-N 3.09Å; I129-I133 HydrophobicContact CG1-CD1 3.78Å; I129-I133 HydrophobicContact CG1-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.22Å |
| 130 | Y | 93.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -28.6 | 178.2 | -64.4 | -75.3 | 0 | 0 | 0 | 113.8 | T84 H87 V90 K128 I133 N134 | T84-Y130 WeakPolarHBondContact CB-OH 3.29Å; T84-Y130 HydrophobicContact CG2-CD1 4.23Å; T84-Y130 HydrophobicContact CG2-CE1 3.53Å; T84-Y130 HydrophobicContact CG2-CE2 4.28Å; H87-Y130 HydrophobicContact CB-CE1 4.49Å; V90-Y130 HydrophobicContact CG2-CE1 4.47Å; K128-Y130 VanDerWaalsContact C-N 3.3Å; K128-Y130 PolarHBondContact O-N 3.24Å; Y130-I133 HydrophobicContact CD1-CD1 4.2Å; Y130-N134 WeakPolarHBondContact O-CB 3.48Å; Y130-N134 PolarHBondContact O-N 2.83Å |
| 131 | V | 94.4 | Very high | 93.4 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | K128 I129 N134 E135 | K128-V131 HydrophobicContact CB-CB 4.42Å; K128-V131 HydrophobicContact CB-CG2 4.21Å; K128-V131 WeakPolarHBondContact O-CA 3.35Å; K128-V131 VanDerWaalsContact O-CB 3.31Å; K128-V131 WeakPolarHBondContact O-CB 2.99Å; K128-V131 PolarHBondContact O-N 2.86Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.04Å; V131-N134 PolarHBondContact O-N 3.01Å; V131-E135 PolarHBondContact O-N 2.73Å |
| 132 | Y | 94.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 9% | 0.086 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74 | -34.8 | 179.2 | -52.5 | -46.9 | 0 | 0 | 0 | 112.4 | R121 R125 K128 I129 N134 E135 L136 | R121-Y132 HydrophobicContact CB-CD1 4.06Å; R121-Y132 HydrophobicContact CB-CD2 4.4Å; R121-Y132 HydrophobicContact CB-CE1 3.74Å; R121-Y132 HydrophobicContact CB-CE2 4.08Å; R121-Y132 HydrophobicContact CB-CG 4.4Å; R121-Y132 HydrophobicContact CG-CE1 4.35Å; R125-Y132 HydrophobicContact CB-CE2 4.42Å; K128-Y132 HydrophobicContact CB-CD2 4.46Å; K128-Y132 HydrophobicContact CB-CE2 3.73Å; K128-Y132 VanDerWaalsContact O-CD2 3.29Å; K128-Y132 WeakPolarHBondContact O-CD2 3.16Å; K128-Y132 PolarHBondContact O-N 2.72Å; I129-Y132 PolarHBondContact O-N 3.09Å; Y132-N134 VanDerWaalsContact C-N 3.31Å; Y132-E135 WeakPolarHBondContact O-CB 3.32Å; Y132-E135 PolarHBondContact O-N 2.84Å; Y132-L136 PolarHBondContact O-N 3.32Å |
| 133 | I | 93.5 | Very high | 93.1 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 166.2 | -70 | 160.1 | 0 | 0 | 0 | 109.9 | F76 T84 V90 L94 I129 Y130 L136 C137 | F76-I133 HydrophobicContact CE1-CG1 4.24Å; F76-I133 HydrophobicContact CZ-CG1 3.97Å; T84-I133 HydrophobicContact CG2-CD1 3.59Å; V90-I133 HydrophobicContact CG1-CD1 3.81Å; V90-I133 HydrophobicContact CG1-CG1 4.37Å; V90-I133 HydrophobicContact CG1-CG2 4.09Å; L94-I133 HydrophobicContact CD1-CG2 4.38Å; L94-I133 HydrophobicContact CD2-CG2 4.47Å; I129-I133 HydrophobicContact CG1-CD1 3.78Å; I129-I133 HydrophobicContact CG1-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.22Å; Y130-I133 HydrophobicContact CD1-CD1 4.2Å; I133-L136 PolarHBondContact O-N 3.48Å; I133-C137 VanDerWaalsContact O-CB 3.3Å; I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 2.67Å; I133-C137 PolarHBondContact O-SG 3.26Å |
| 134 | N | 92.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.5 | -33.5 | 178.7 | -169.1 | 54.1 | 0 | 0 | 0 | 113.4 | Y130 V131 Y132 C137 T138 | Y130-N134 WeakPolarHBondContact O-CB 3.48Å; Y130-N134 PolarHBondContact O-N 2.83Å; V131-N134 PolarHBondContact O-N 3.01Å; Y132-N134 VanDerWaalsContact C-N 3.31Å; N134-C137 PolarHBondContact O-N 3.24Å; N134-T138 WeakPolarHBondContact O-CB 3.45Å; N134-T138 PolarHBondContact O-N 2.89Å; N134-T138 PolarHBondContact O-OG1 2.86Å |
| 135 | E | 95.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.9 | -55.1 | 169.1 | -172.4 | 179.8 | 159.6 | 0 | 0 | 109.2 | R117 V118 R121 V131 Y132 C137 T138 V139 | R117-E135 IonicContact CZ-OE1 2.8Å; R117-E135 VanDerWaalsContact CZ-OE1 3.27Å; R117-E135 IonicContact NE-OE1 3.76Å; R117-E135 PolarHBondContact NE-OE1 2.82Å; R117-E135 IonicContact NH2-OE1 3.86Å; R117-E135 PolarHBondContact NH2-OE1 2.92Å; V118-E135 HydrophobicContact CG2-CG 4.29Å; R121-E135 IonicContact NH1-OE1 2.67Å; R121-E135 PolarHBondContact NH1-OE1 2.88Å; R121-E135 IonicContact NH1-OE2 3.71Å; R121-E135 PolarHBondContact NH1-OE2 3.17Å; V131-E135 PolarHBondContact O-N 2.73Å; Y132-E135 WeakPolarHBondContact O-CB 3.32Å; Y132-E135 PolarHBondContact O-N 2.84Å; E135-C137 PolarHBondContact O-N 3.34Å; E135-T138 PolarHBondContact O-N 3.23Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.36Å |
| 136 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.1 | -172.7 | 60.4 | 0 | 0 | 0 | 113.1 | F73 F76 L94 F111 I114 L115 Y132 I133 T138 V139 L140 | F73-L136 HydrophobicContact CD2-CD2 4.27Å; F73-L136 HydrophobicContact CE2-CD2 4.01Å; F76-L136 HydrophobicContact CD1-CD2 3.45Å; F76-L136 VanDerWaalsContact CD1-CD2 3.45Å; F76-L136 HydrophobicContact CE1-CD2 3.5Å; F76-L136 HydrophobicContact CG-CD2 4.43Å; L94-L136 HydrophobicContact CD2-CD2 4.36Å; F111-L136 HydrophobicContact CE2-CD1 3.94Å; I114-L136 HydrophobicContact CG2-CD1 4.35Å; L115-L136 HydrophobicContact CD2-CD1 3.76Å; L115-L136 HydrophobicContact CD2-CD2 4.06Å; Y132-L136 PolarHBondContact O-N 3.32Å; I133-L136 PolarHBondContact O-N 3.48Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 2.87Å; L136-V139 PolarHBondContact O-N 3.22Å; L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.32Å; L136-L140 PolarHBondContact O-N 3.1Å |
| 137 | C | 92.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 175.6 | -74 | 0 | 0 | 0 | 0 | 112.5 | L94 L97 I133 N134 E135 K141 | L94-C137 VanDerWaalsContact CD2-SG 3.51Å; L97-C137 HydrophobicContact CD2-CB 3.94Å; I133-C137 VanDerWaalsContact O-CB 3.3Å; I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 2.67Å; I133-C137 PolarHBondContact O-SG 3.26Å; N134-C137 PolarHBondContact O-N 3.24Å; E135-C137 PolarHBondContact O-N 3.34Å; C137-K141 VanDerWaalsContact O-CB 3.32Å; C137-K141 WeakPolarHBondContact O-CB 3.3Å; C137-K141 VanDerWaalsContact O-CD 3.31Å; C137-K141 WeakPolarHBondContact O-CD 3.34Å; C137-K141 WeakPolarHBondContact O-CG 3.36Å; C137-K141 PolarHBondContact O-N 3.06Å |
| 138 | T | 92.6 | Very high | 86.7 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | -180 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | N134 E135 L136 K141 A142 | N134-T138 WeakPolarHBondContact O-CB 3.45Å; N134-T138 PolarHBondContact O-N 2.89Å; N134-T138 PolarHBondContact O-OG1 2.86Å; E135-T138 PolarHBondContact O-N 3.23Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 2.87Å; T138-K141 PolarHBondContact O-N 3.24Å; T138-A142 PolarHBondContact O-N 3.43Å |
| 139 | V | 93.8 | Very high | 84 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.5 | -54.7 | 173 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | F105 I114 E135 L136 K141 A142 H143 | F105-V139 HydrophobicContact CE1-CG1 3.92Å; F105-V139 HydrophobicContact CE2-CG1 4.26Å; F105-V139 HydrophobicContact CZ-CG1 3.35Å; I114-V139 HydrophobicContact CD1-CG1 3.87Å; I114-V139 HydrophobicContact CD1-CG2 4.15Å; I114-V139 HydrophobicContact CG2-CG2 4.33Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.36Å; L136-V139 PolarHBondContact O-N 3.22Å; V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 2.99Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 2.81Å; V139-H143 PolarHBondContact O-CD2 3.2Å; V139-H143 PolarHBondContact O-N 2.9Å; V139-H143 VanDerWaalsContact O-N 3.1Å |
| 140 | L | 92.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -27.2 | -178.7 | -67.5 | 171.9 | 0 | 0 | 0 | 113.2 | F73 L97 Q98 A101 F105 L106 F111 L136 S144 | F73-L140 HydrophobicContact CE2-CD1 4.09Å; L97-L140 HydrophobicContact CD2-CB 3.87Å; L97-L140 HydrophobicContact CG-CB 3.71Å; Q98-L140 HydrophobicContact CB-CD1 4.4Å; A101-L140 HydrophobicContact CB-CD2 3.92Å; F105-L140 HydrophobicContact CE1-CD2 4.24Å; L106-L140 HydrophobicContact CD2-CD2 4.14Å; F111-L140 HydrophobicContact CE2-CD2 3.71Å; F111-L140 HydrophobicContact CE2-CG 4.41Å; F111-L140 HydrophobicContact CZ-CD2 3.97Å; L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.32Å; L136-L140 PolarHBondContact O-N 3.1Å; L140-S144 WeakPolarHBondContact O-CB 3.25Å; L140-S144 PolarHBondContact O-N 2.94Å |
| 141 | K | 92.3 | Very high | 78.3 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.9 | -44 | 169.4 | -74.9 | 164 | -167.1 | 169.6 | 0 | 111.8 | L97 C137 T138 V139 S144 | L97-K141 HydrophobicContact CD1-CG 3.79Å; L97-K141 HydrophobicContact CD2-CG 4.1Å; C137-K141 VanDerWaalsContact O-CB 3.32Å; C137-K141 WeakPolarHBondContact O-CB 3.3Å; C137-K141 VanDerWaalsContact O-CD 3.31Å; C137-K141 WeakPolarHBondContact O-CD 3.34Å; C137-K141 WeakPolarHBondContact O-CG 3.36Å; C137-K141 PolarHBondContact O-N 3.06Å; T138-K141 PolarHBondContact O-N 3.24Å; V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 2.99Å; K141-S144 VanDerWaalsContact O-CB 3.31Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.22Å; K141-S144 PolarHBondContact O-OG 2.94Å |
| 142 | A | 91.4 | Very high | 75.2 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T138 V139 S144 | T138-A142 PolarHBondContact O-N 3.43Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 2.81Å; A142-S144 PolarHBondContact O-N 3.07Å |
| 143 | H | 90.3 | Very high | 72.4 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 22.5 | 178.6 | -59.3 | -91.4 | 0 | 0 | 0 | 113.5 | A101 Q102 F105 E110 V139 | A101-H143 CarbonylContact C-O 3.58Å; A101-H143 WeakPolarHBondContact CA-O 3.4Å; Q102-H143 WeakPolarHBondContact CG-O 3.31Å; Q102-H143 PolarHBondContact N-O 3.25Å; F105-H143 HydrophobicContact CB-CB 4.01Å; F105-H143 HydrophobicContact CD1-CB 3.75Å; F105-H143 HydrophobicContact CD2-CB 4.03Å; F105-H143 AromaticContact CD2-CD2 3.79Å; F105-H143 AromaticContact CD2-CE1 3.68Å; F105-H143 AromaticContact CD2-CG 3.45Å; F105-H143 VanDerWaalsContact CD2-CG 3.45Å; F105-H143 AromaticContact CD2-ND1 3.37Å; F105-H143 WeakPolarHBondContact CD2-ND1 3.11Å; F105-H143 AromaticContact CD2-NE2 3.97Å; F105-H143 HydrophobicContact CE1-CB 4.28Å; F105-H143 AromaticContact CE2-CD2 3.57Å; F105-H143 AromaticContact CE2-CE1 3.83Å; F105-H143 AromaticContact CE2-CG 3.75Å; F105-H143 AromaticContact CE2-ND1 3.9Å; F105-H143 AromaticContact CE2-NE2 3.68Å; F105-H143 HydrophobicContact CG-CB 3.62Å; F105-H143 AromaticContact CG-CG 3.61Å; F105-H143 AromaticContact CG-ND1 3.83Å; F105-H143 AromaticContact CZ-CD2 3.87Å; E110-H143 IonicContact OE1-NE2 2.83Å; V139-H143 PolarHBondContact O-CD2 3.2Å; V139-H143 PolarHBondContact O-N 2.9Å; V139-H143 VanDerWaalsContact O-N 3.1Å |
| 144 | S | 89.7 | Confident | 69.3 | Low | 16 Ų | 16 | 90.2 Ų | 90.2 | 11% | 0.112 | 50% | 0.495 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 146.9 | -179.7 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | R100 L140 K141 A142 K146 | R100-S144 CarbonylContact O-C 3.5Å; R100-S144 VanDerWaalsContact O-CA 3.25Å; R100-S144 WeakPolarHBondContact O-CA 3.34Å; L140-S144 WeakPolarHBondContact O-CB 3.25Å; L140-S144 PolarHBondContact O-N 2.94Å; K141-S144 VanDerWaalsContact O-CB 3.31Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.22Å; K141-S144 PolarHBondContact O-OG 2.94Å; A142-S144 PolarHBondContact O-N 3.07Å; S144-K146 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact O-N 3.11Å |
| 145 | I | 78.9 | Confident | 66.3 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | trans | -73.8 | 99.8 | 172.8 | -56.5 | 174.4 | 0 | 0 | 0 | 107.9 | R100 Q102 K147 | R100-I145 PolarHBondContact O-N 3.46Å; Q102-I145 HydrophobicContact CG-CG1 3.8Å; I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.24Å | ||
| 146 | K | 73.6 | Confident | 63.1 | Low | 177 Ų | 177 | 93.9 Ų | 93.9 | 77% | 0.77 | 54% | 0.538 | S | S | * | . | trans | -71 | 75.6 | -178 | -66.1 | 179.9 | -177.2 | 174.8 | 0 | 111.8 | S144 K148 | S144-K146 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact O-N 3.11Å; K146-K148 PolarHBondContact O-N 2.98Å | ||
| 147 | K | 49.6 | Very low | 60 | Low | 179 Ų | 179 | 100.9 Ų | 100.9 | 78% | 0.778 | 58% | 0.581 | S | S | * | * | trans | -64.8 | 104.5 | 173.9 | -163 | 171.8 | -172.3 | 176.5 | 0 | 109.6 | I145 L149 | I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.24Å; K147-L149 PolarHBondContact O-N 2.89Å | ||
| 148 | K | 37.1 | Very low | 56.9 | Low | 188 Ų | 188 | 107.3 Ų | 107.3 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | trans | -67.1 | 111.7 | -177.5 | -161.1 | -178.8 | -175.7 | -171.5 | 0 | 109.6 | K146 | K146-K148 PolarHBondContact O-N 2.98Š| ||
| 149 | L | 38.2 | Very low | 53.9 | Low | 146 Ų | 146 | 109.2 Ų | 109.2 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | trans | -100.4 | 116.5 | 173 | -73.8 | 172.1 | 0 | 0 | 0 | 108.8 | K147 | K147-L149 PolarHBondContact O-N 2.89Š| ||
| 150 | N | 34.3 | Very low | 50.7 | Low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | trans | -81.5 | 131.5 | 166 | -67.3 | -13.5 | 0 | 0 | 0 | 108.2 | ||||
| 151 | L | 32.2 | Very low | 47.8 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -128 | 120.6 | 167.6 | -79.1 | 165.8 | 0 | 0 | 0 | 107.5 | ||||
| 152 | A | 29.8 | Very low | 44.8 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -83.5 | 151.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 153 | P | 35.4 | Very low | 41.9 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 136.5 | 175 | 29.8 | -33.9 | 0 | 0 | 0 | 111 | ||||
| 154 | A | 28.1 | Very low | 39.6 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -121.1 | 150.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 155 | A | 29.7 | Very low | 37 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -97.3 | 169.3 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 156 | S | 28.7 | Very low | 36.1 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 76.3 | 107.5 | 151.7 | -53.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 157 | T | 29.6 | Very low | 35.2 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | -145.6 | 149.9 | 128.4 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 158 | T | 27.3 | Very low | 34.3 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -111.2 | 178.9 | -169.1 | 29.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 159 | S | 28.6 | Very low | 34.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 105.5 | 125.7 | 175.9 | -44.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 160 | E | 27.9 | Very low | 34.6 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | cis | -126.5 | -168.4 | 5.3 | -93.2 | -135.5 | 63.1 | 0 | 0 | 110 | ||||
| 161 | A | 30.3 | Very low | 35.3 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -151.5 | -143.7 | 18.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 162 | S | 29.8 | Very low | 35.3 | Very low | 124 Ų | 124 | 121 Ų | 121 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -122.2 | 143.7 | -170.4 | 179.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 163 | G | 30.2 | Very low | 35.2 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 171.9 | 126.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 164 | P | 43.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -95.8 | 163.3 | -170.1 | 36 | -35.9 | 0 | 0 | 0 | 117 | ||||
| 165 | N | 34.3 | Very low | 35.3 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -82.4 | -167.9 | -176.7 | -58.4 | -41.2 | 0 | 0 | 0 | 113.8 | ||||
| 166 | P | 60.7 | Low | 35.4 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -127.1 | -137.4 | -67.6 | 41.5 | -23.4 | 0 | 0 | 0 | 108.6 | |||||
| 167 | P | 54.5 | Low | 35.7 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -128.3 | 178.2 | -29.8 | 38.4 | -21.9 | 0 | 0 | 0 | 114.3 | ||||
| 168 | T | 31.1 | Very low | 36 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 162.2 | 123.9 | 122.1 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 169 | E | 32.2 | Very low | 36.4 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -47.5 | -178.2 | 168.1 | -76.3 | 176.7 | -169.3 | 0 | 0 | 119.1 | ||||
| 170 | P | 49 | Very low | 37.1 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -141 | -137.6 | -40.5 | 42.7 | -23.1 | 0 | 0 | 0 | 110 | ||||
| 171 | P | 48.1 | Very low | 37.5 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -123.9 | -166.2 | -41.1 | 37.4 | -19.8 | 0 | 0 | 0 | 113.5 | ||||
| 172 | S | 32.8 | Very low | 38 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 80.2 | 140.9 | 149.8 | -68.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 173 | D | 27.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | cis | -165.9 | 177.5 | -15 | -163.8 | 6.6 | 0 | 0 | 0 | 110.8 | ||||
| 174 | L | 34.5 | Very low | 39 | Very low | 130 Ų | 130 | 127 Ų | 127 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | 90.5 | 85.5 | 158.5 | -56.6 | -176.7 | 0 | 0 | 0 | 122 | ||||
| 175 | T | 32.1 | Very low | 39.3 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | 65.6 | 137.9 | 119.7 | 57.2 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 176 | N | 31.3 | Very low | 40.2 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 68.5 | 118.2 | 151.4 | -55.3 | -15.9 | 0 | 0 | 0 | 117.1 | ||||
| 177 | T | 34.9 | Very low | 40.2 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | cis | -166.1 | 113 | 47.7 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | S179 | T177-S179 PolarHBondContact O-N 3.43Š| ||
| 178 | E | 35 | Very low | 41.3 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -87 | 84.7 | 160.2 | -86 | -165 | 110.3 | 0 | 0 | 110.3 | T180 | E178-T180 PolarHBondContact O-N 3.47Š| ||
| 179 | S | 35.7 | Very low | 43.7 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -83 | 98.5 | 162.6 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | T177 A181 | T177-S179 PolarHBondContact O-N 3.43Å; S179-A181 PolarHBondContact O-N 2.74Å | ||
| 180 | T | 45.1 | Very low | 46.6 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -74.1 | 61.4 | 172.5 | 56 | 0 | 0 | 0 | 0 | 110.7 | E178 | E178-T180 PolarHBondContact O-N 3.47Š| ||
| 181 | A | 35.3 | Very low | 48.7 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 60% | 0.603 | 70% | 0.703 | S | S | * | * | trans | -103.9 | 88.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | S179 E183 | S179-A181 PolarHBondContact O-N 2.74Å; A181-E183 PolarHBondContact O-N 3.11Å | ||
| 182 | S | 40 | Very low | 51 | Low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | 7.4 | 103.6 | 157.2 | 179.4 | 0 | 0 | 0 | 0 | 116.3 | A184 | S182-A184 PolarHBondContact O-N 2.87Å; S182-A184 PolarHBondContact OG-N 2.79Å | ||
| 183 | E | 40.3 | Very low | 53.9 | Low | 205 Ų | 205 | 130.1 Ų | 130.1 | 96% | 0.958 | 69% | 0.69 | S | S | * | * | trans | -63.4 | 81.9 | 150.2 | -81.1 | -160.3 | 132.3 | 0 | 0 | 108 | A181 S185 | A181-E183 PolarHBondContact O-N 3.11Å; E183-S185 PolarHBondContact O-N 3.47Å | ||
| 184 | A | 41.3 | Very low | 57.2 | Low | 75 Ų | 75 | 124.3 Ų | 124.3 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | trans | -60 | 113.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107 | S182 R186 | S182-A184 PolarHBondContact O-N 2.87Å; S182-A184 PolarHBondContact OG-N 2.79Å; A184-R186 PolarHBondContact O-N 3.24Å | ||
| 185 | S | 49.2 | Very low | 60.2 | Low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | -51.7 | 114.9 | 174.5 | 57 | 0 | 0 | 0 | 0 | 108 | E183 T187 | E183-S185 PolarHBondContact O-N 3.47Å; S185-T187 PolarHBondContact O-N 3.1Å | ||
| 186 | R | 54.1 | Low | 63.3 | Low | 200 Ų | 200 | 124.9 Ų | 124.9 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | trans | -43.9 | 115.8 | 179.3 | -71.3 | 178.5 | 175.2 | 178.8 | -3.9 | 107.9 | A184 R188 D250 | A184-R186 PolarHBondContact O-N 3.24Å; R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 3.24Å; R186-D250 IonicContact NH1-OD1 3.15Å | ||
| 187 | T | 61.3 | Low | 66.5 | Low | 137 Ų | 137 | 119.6 Ų | 119.6 | 84% | 0.84 | 62% | 0.616 | S | S | * | * | trans | -70.7 | 89.8 | -163.6 | 32.9 | 0 | 0 | 0 | 0 | 109.4 | S185 G189 | S185-T187 PolarHBondContact O-N 3.1Å; T187-G189 PolarHBondContact O-N 3.03Å | ||
| 188 | R | 77 | Confident | 69.4 | Low | 180 Ų | 180 | 117.5 Ų | 117.5 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | trans | -41.2 | 125.5 | 177.5 | 165.4 | 172.4 | -83.3 | -168.7 | -8.1 | 109.3 | R186 K249 | R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 3.24Å; R188-K249 PolarHBondContact NE-O 2.97Å; R188-K249 PolarHBondContact NH2-O 3.23Å | ||
| 189 | G | 80.5 | Confident | 72.5 | Confident | 9 Ų | 9 | 113.7 Ų | 113.7 | 9% | 0.093 | 58% | 0.579 | C | S | . | * | trans | -51.3 | 148.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T187 R191 I194 L248 | T187-G189 PolarHBondContact O-N 3.03Å; G189-R191 PolarHBondContact O-N 3.37Å; G189-I194 VanDerWaalsContact O-CD1 3.28Å; G189-I194 WeakPolarHBondContact O-CD1 3.35Å; G189-L248 PolarHBondContact N-O 3.37Å | ||
| 190 | S | 92.9 | Very high | 75.4 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | trans | -52.5 | 128.6 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | R192 Q193 I194 | S190-R192 PolarHBondContact O-N 3.08Å; S190-R192 VanDerWaalsContact O-N 3.08Å; S190-Q193 WeakPolarHBondContact O-CA 3.31Å; S190-Q193 WeakPolarHBondContact O-CB 3.48Å; S190-Q193 PolarHBondContact O-N 2.89Å; S190-I194 PolarHBondContact O-N 2.69Å | ||
| 191 | R | 94.1 | Very high | 78 | Confident | 211 Ų | 211 | 107.2 Ų | 107.2 | 80% | 0.796 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55.7 | -32.6 | -179 | -180 | 175.4 | 173.1 | 151.3 | 2.5 | 112.2 | G189 Q195 | G189-R191 PolarHBondContact O-N 3.37Å; R191-Q195 WeakPolarHBondContact O-CB 3.43Å; R191-Q195 PolarHBondContact O-N 2.82Å; R191-Q195 VanDerWaalsContact O-N 3.07Å |
| 192 | R | 95.3 | Very high | 81 | Confident | 213 Ų | 213 | 106.6 Ų | 106.6 | 80% | 0.804 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 175.1 | -66.1 | -177.8 | 179.5 | 174.2 | -0.5 | 111.7 | S190 Q195 R196 | S190-R192 PolarHBondContact O-N 3.08Å; S190-R192 VanDerWaalsContact O-N 3.08Å; R192-Q195 PolarHBondContact O-N 2.86Å; R192-R196 PolarHBondContact O-N 2.66Å |
| 193 | Q | 95.4 | Very high | 83.8 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 176.5 | -175 | -172.8 | 27.6 | 0 | 0 | 110.9 | S190 Q195 R196 L197 L248 | S190-Q193 WeakPolarHBondContact O-CA 3.31Å; S190-Q193 WeakPolarHBondContact O-CB 3.48Å; S190-Q193 PolarHBondContact O-N 2.89Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å; Q193-Q195 PolarHBondContact O-N 3.33Å; Q193-R196 PolarHBondContact O-N 2.8Å; Q193-L197 HydrophobicContact CG-CD1 4.03Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.32Å; Q193-L197 PolarHBondContact O-N 3.07Å; Q193-L248 HydrophobicContact CG-CD1 4.35Å |
| 194 | I | 96.2 | Very high | 86.5 | Confident | 19 Ų | 19 | 100.2 Ų | 100.2 | 10% | 0.097 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 176.2 | -66.5 | 173.7 | 0 | 0 | 0 | 110.5 | G189 S190 L197 E198 L245 L248 K249 | G189-I194 VanDerWaalsContact O-CD1 3.28Å; G189-I194 WeakPolarHBondContact O-CD1 3.35Å; S190-I194 PolarHBondContact O-N 2.69Å; I194-L197 PolarHBondContact O-N 3.35Å; I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact O-CB 3.47Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.29Å; I194-E198 PolarHBondContact O-N 3.38Å; I194-L245 HydrophobicContact CG2-CD2 4.1Å; I194-L248 HydrophobicContact CD1-CB 4.4Å; I194-L248 HydrophobicContact CG1-CB 4.14Å; I194-K249 HydrophobicContact CD1-CG 4.16Å |
| 195 | Q | 97.3 | Very high | 89.3 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.9 | -175.6 | 175.4 | -15.4 | 0 | 0 | 113 | R191 R192 Q193 E198 Q199 | R191-Q195 WeakPolarHBondContact O-CB 3.43Å; R191-Q195 PolarHBondContact O-N 2.82Å; R191-Q195 VanDerWaalsContact O-N 3.07Å; R192-Q195 PolarHBondContact O-N 2.86Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å; Q193-Q195 PolarHBondContact O-N 3.33Å; Q195-E198 PolarHBondContact O-N 2.65Å; Q195-Q199 VanDerWaalsContact O-CG 3.28Å; Q195-Q199 WeakPolarHBondContact O-CG 3.3Å; Q195-Q199 PolarHBondContact O-N 3.01Å |
| 196 | R | 97.4 | Very high | 91.6 | Very high | 152 Ų | 152 | 97.6 Ų | 97.6 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 175 | -174.4 | -176.9 | -177.7 | -166.5 | 1 | 111.3 | R192 Q193 Q199 L200 | R192-R196 PolarHBondContact O-N 2.66Å; Q193-R196 PolarHBondContact O-N 2.8Å; R196-Q199 PolarHBondContact O-N 3.4Å; R196-L200 PolarHBondContact O-N 3.09Å |
| 197 | L | 97.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 91 Ų | 91 | 17% | 0.173 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -71.3 | -34.9 | 179.5 | -63.6 | 173.8 | 0 | 0 | 0 | 112.1 | Q193 I194 L200 L201 L241 L245 L248 | Q193-L197 HydrophobicContact CG-CD1 4.03Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.32Å; Q193-L197 PolarHBondContact O-N 3.07Å; I194-L197 PolarHBondContact O-N 3.35Å; L197-L200 PolarHBondContact O-N 3.42Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.84Å; L197-L241 HydrophobicContact CB-CD1 3.98Å; L197-L241 HydrophobicContact CD2-CD1 3.59Å; L197-L241 HydrophobicContact CG-CD1 4.24Å; L197-L245 HydrophobicContact CB-CD1 4.28Å; L197-L245 HydrophobicContact CB-CD2 3.76Å; L197-L245 HydrophobicContact CB-CG 4Å; L197-L245 HydrophobicContact CD1-CD2 4.49Å; L197-L248 HydrophobicContact CD1-CD1 3.45Å; L197-L248 VanDerWaalsContact CD1-CD1 3.45Å |
| 198 | E | 97.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 85 Ų | 85 | 40% | 0.397 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 171 | -75.9 | 174.5 | 162.8 | 0 | 0 | 112.2 | I194 Q195 A202 L245 K249 | I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact O-CB 3.47Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.29Å; I194-E198 PolarHBondContact O-N 3.38Å; Q195-E198 PolarHBondContact O-N 2.65Å; E198-A202 PolarHBondContact O-N 3.48Å; E198-A202 VanDerWaalsContact O-N 3.12Å; E198-L245 HydrophobicContact CG-CD1 4.37Å; E198-L245 HydrophobicContact CG-CD2 4.05Å; E198-K249 VanDerWaalsContact OE1-CE 3.3Å; E198-K249 WeakPolarHBondContact OE1-CE 3.46Å; E198-K249 IonicContact OE1-NZ 3.18Å; E198-K249 PolarHBondContact OE1-NZ 3.45Å |
| 199 | Q | 98.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 82.3 Ų | 82.3 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 173.6 | -73.5 | 169.2 | -27.6 | 0 | 0 | 111.6 | Q195 R196 L201 A202 L203 | Q195-Q199 VanDerWaalsContact O-CG 3.28Å; Q195-Q199 WeakPolarHBondContact O-CG 3.3Å; Q195-Q199 PolarHBondContact O-N 3.01Å; R196-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.27Å; Q199-A202 PolarHBondContact O-N 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å |
| 200 | L | 98.3 | Very high | 97.4 | Very high | 60 Ų | 60 | 87.4 Ų | 87.4 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 175 | -177.1 | 62 | 0 | 0 | 0 | 112.1 | R196 L197 A202 L203 Y204 L241 | R196-L200 PolarHBondContact O-N 3.09Å; L197-L200 PolarHBondContact O-N 3.42Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.44Å; L200-L203 PolarHBondContact O-N 2.92Å; L200-Y204 HydrophobicContact CD1-CD1 4.14Å; L200-Y204 HydrophobicContact CD1-CE1 3.58Å; L200-Y204 HydrophobicContact CD2-CE2 4.5Å; L200-Y204 HydrophobicContact CG-CE1 4.09Å; L200-Y204 HydrophobicContact CG-CE2 4.21Å; L200-Y204 PolarHBondContact O-N 3.27Å; L200-L241 HydrophobicContact CB-CD2 4.06Å; L200-L241 HydrophobicContact CD2-CD1 4.46Å; L200-L241 HydrophobicContact CD2-CD2 3.91Å; L200-L241 HydrophobicContact CG-CD2 3.78Å |
| 201 | L | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 84.3 Ų | 84.3 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.9 | -164.9 | 80.2 | 0 | 0 | 0 | 111.3 | L197 Q199 Y204 V205 L238 L241 F242 L245 | L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.84Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.27Å; L201-Y204 PolarHBondContact O-N 3.47Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 2.92Å; L201-L238 HydrophobicContact CD1-CD2 4.01Å; L201-L238 HydrophobicContact CD1-CG 3.79Å; L201-L241 HydrophobicContact CB-CD2 4.02Å; L201-L241 HydrophobicContact CD1-CB 4.21Å; L201-L241 HydrophobicContact CD1-CD2 3.91Å; L201-L241 HydrophobicContact CD1-CG 3.94Å; L201-F242 HydrophobicContact CD1-CB 4.42Å; L201-L245 HydrophobicContact CB-CD1 4.41Å; L201-L245 HydrophobicContact CD2-CD1 4.08Å |
| 202 | A | 98.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 76.1 Ų | 76.1 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | E198 Q199 L200 V205 A206 | E198-A202 PolarHBondContact O-N 3.48Å; E198-A202 VanDerWaalsContact O-N 3.12Å; Q199-A202 PolarHBondContact O-N 3.3Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.44Å; A202-V205 PolarHBondContact O-N 3.46Å; A202-A206 PolarHBondContact O-N 2.99Å |
| 203 | L | 98.5 | Very high | 98 | Very high | 117 Ų | 117 | 71.4 Ų | 71.4 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 172.7 | -68.1 | 173.8 | 0 | 0 | 0 | 111.4 | Q199 L200 V205 A206 E207 | Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å; L200-L203 PolarHBondContact O-N 2.92Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 2.77Å; L203-A206 PolarHBondContact O-N 3.34Å; L203-E207 PolarHBondContact O-N 3.02Å |
| 204 | Y | 98.6 | Very high | 98.1 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 174.6 | -69.2 | -6.8 | 0 | 0 | 0 | 112.2 | L200 L201 I208 L234 K237 L238 L241 | L200-Y204 HydrophobicContact CD1-CD1 4.14Å; L200-Y204 HydrophobicContact CD1-CE1 3.58Å; L200-Y204 HydrophobicContact CD2-CE2 4.5Å; L200-Y204 HydrophobicContact CG-CE1 4.09Å; L200-Y204 HydrophobicContact CG-CE2 4.21Å; L200-Y204 PolarHBondContact O-N 3.27Å; L201-Y204 PolarHBondContact O-N 3.47Å; Y204-I208 WeakPolarHBondContact O-CB 3.37Å; Y204-I208 WeakPolarHBondContact O-CD1 3.33Å; Y204-I208 WeakPolarHBondContact O-CG1 3.34Å; Y204-I208 PolarHBondContact O-N 3.48Å; Y204-L234 HydrophobicContact CD1-CD1 3.66Å; Y204-L234 HydrophobicContact CD2-CD1 4.24Å; Y204-L234 HydrophobicContact CE1-CD1 3.98Å; Y204-L234 HydrophobicContact CG-CD1 3.79Å; Y204-K237 HydrophobicContact CE2-CB 4.03Å; Y204-L238 HydrophobicContact CD2-CB 4.19Å; Y204-L241 HydrophobicContact CD2-CD2 3.89Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å |
| 205 | V | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 79.5 Ų | 79.5 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L201 A202 L203 R209 L238 | L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 2.92Å; A202-V205 PolarHBondContact O-N 3.46Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 2.77Å; V205-R209 WeakPolarHBondContact O-CG 3.22Å; V205-R209 PolarHBondContact O-N 2.94Å; V205-R209 VanDerWaalsContact O-N 3.13Å; V205-L238 HydrophobicContact CG2-CD1 3.74Å |
| 206 | A | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A202 L203 R209 R210 | A202-A206 PolarHBondContact O-N 2.99Å; L203-A206 PolarHBondContact O-N 3.34Å; A206-R209 PolarHBondContact O-N 3.14Å; A206-R210 PolarHBondContact O-N 3.03Å; A206-R210 VanDerWaalsContact O-N 3.1Å |
| 207 | E | 98.5 | Very high | 98 | Very high | 63 Ų | 63 | 74.9 Ų | 74.9 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.7 | -36.5 | 179.2 | -179.5 | 58.4 | -162.4 | 0 | 0 | 112.6 | L203 R209 R210 L211 L234 | L203-E207 PolarHBondContact O-N 3.02Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.04Å; E207-R210 VanDerWaalsContact CD-NE 3.3Å; E207-R210 PolarHBondContact O-N 3.47Å; E207-R210 IonicContact OE1-CZ 2.98Å; E207-R210 VanDerWaalsContact OE1-CZ 3.28Å; E207-R210 IonicContact OE1-NE 3.27Å; E207-R210 PolarHBondContact OE1-NE 3.06Å; E207-R210 VanDerWaalsContact OE1-NE 3.08Å; E207-R210 IonicContact OE1-NH2 2.76Å; E207-R210 PolarHBondContact OE1-NH2 3.22Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 2.79Å; E207-R210 IonicContact OE2-NE 3.8Å; E207-R210 PolarHBondContact OE2-NE 3.01Å; E207-R210 IonicContact OE2-NH2 3.18Å; E207-L211 HydrophobicContact CG-CD1 4.3Å; E207-L211 WeakPolarHBondContact O-CG 3.38Å; E207-L211 PolarHBondContact O-N 2.97Å; E207-L234 HydrophobicContact CB-CD2 3.79Å; E207-L234 HydrophobicContact CG-CD2 3.52Å |
| 208 | I | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 80.9 Ų | 80.9 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 170.6 | -74.8 | 163.4 | 0 | 0 | 0 | 110.9 | Y204 L211 Q212 E231 L234 K235 L238 | Y204-I208 WeakPolarHBondContact O-CB 3.37Å; Y204-I208 WeakPolarHBondContact O-CD1 3.33Å; Y204-I208 WeakPolarHBondContact O-CG1 3.34Å; Y204-I208 PolarHBondContact O-N 3.48Å; I208-L211 PolarHBondContact O-N 3.45Å; I208-Q212 HydrophobicContact CG2-CG 4.42Å; I208-Q212 VanDerWaalsContact O-CG 3.25Å; I208-Q212 WeakPolarHBondContact O-CG 3.3Å; I208-Q212 PolarHBondContact O-N 3.39Å; I208-E231 HydrophobicContact CG2-CG 4.03Å; I208-L234 HydrophobicContact CD1-CG 4.18Å; I208-L234 HydrophobicContact CG1-CB 4.15Å; I208-L234 HydrophobicContact CG1-CD2 3.81Å; I208-L234 HydrophobicContact CG1-CG 3.83Å; I208-K235 HydrophobicContact CD1-CB 4.49Å; I208-K235 HydrophobicContact CD1-CG 3.79Å; I208-K235 HydrophobicContact CG1-CG 4.3Å; I208-K235 HydrophobicContact CG2-CG 4.41Å; I208-L238 HydrophobicContact CD1-CB 4.37Å; I208-L238 HydrophobicContact CD1-CD1 3.5Å; I208-L238 VanDerWaalsContact CD1-CD1 3.5Å |
| 209 | R | 98.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 80.7 Ų | 80.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.8 | -69.7 | -177.6 | 173.8 | -171.3 | -6.7 | 112.3 | V205 A206 E207 L211 Q212 E213 | V205-R209 WeakPolarHBondContact O-CG 3.22Å; V205-R209 PolarHBondContact O-N 2.94Å; V205-R209 VanDerWaalsContact O-N 3.13Å; A206-R209 PolarHBondContact O-N 3.14Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.04Å; R209-L211 VanDerWaalsContact C-N 3.28Å; R209-L211 PolarHBondContact O-N 2.82Å; R209-Q212 PolarHBondContact O-N 3.39Å; R209-E213 WeakPolarHBondContact O-CG 3.41Å; R209-E213 PolarHBondContact O-N 2.82Å |
| 210 | R | 98.6 | Very high | 97.5 | Very high | 116 Ų | 116 | 78.1 Ų | 78.1 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -34.6 | 176 | -165.1 | -163.1 | 70.1 | 80.9 | -0.6 | 112.5 | A206 E207 | A206-R210 PolarHBondContact O-N 3.03Å; A206-R210 VanDerWaalsContact O-N 3.1Å; E207-R210 VanDerWaalsContact CD-NE 3.3Å; E207-R210 PolarHBondContact O-N 3.47Å; E207-R210 IonicContact OE1-CZ 2.98Å; E207-R210 VanDerWaalsContact OE1-CZ 3.28Å; E207-R210 IonicContact OE1-NE 3.27Å; E207-R210 PolarHBondContact OE1-NE 3.06Å; E207-R210 VanDerWaalsContact OE1-NE 3.08Å; E207-R210 IonicContact OE1-NH2 2.76Å; E207-R210 PolarHBondContact OE1-NH2 3.22Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 2.79Å; E207-R210 IonicContact OE2-NE 3.8Å; E207-R210 PolarHBondContact OE2-NE 3.01Å; E207-R210 IonicContact OE2-NH2 3.18Å |
| 211 | L | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.2 | -37.8 | 174.6 | -68.8 | 169 | 0 | 0 | 0 | 112 | E207 I208 R209 E213 K214 Q230 E231 L234 | E207-L211 HydrophobicContact CG-CD1 4.3Å; E207-L211 WeakPolarHBondContact O-CG 3.38Å; E207-L211 PolarHBondContact O-N 2.97Å; I208-L211 PolarHBondContact O-N 3.45Å; R209-L211 VanDerWaalsContact C-N 3.28Å; R209-L211 PolarHBondContact O-N 2.82Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-K214 HydrophobicContact CD2-CD 4.46Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.17Å; L211-Q230 HydrophobicContact CD1-CB 4Å; L211-Q230 HydrophobicContact CD2-CB 4.28Å; L211-E231 HydrophobicContact CB-CB 4.14Å; L211-E231 HydrophobicContact CB-CG 4.33Å; L211-E231 HydrophobicContact CD1-CB 4.35Å; L211-L234 HydrophobicContact CD1-CD2 4.28Å |
| 212 | Q | 98.4 | Very high | 97 | Very high | 38 Ų | 38 | 86.3 Ų | 86.3 | 18% | 0.178 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.6 | -23.2 | 174.2 | -73 | 169.1 | -13.5 | 0 | 0 | 113.8 | I208 R209 E231 | I208-Q212 HydrophobicContact CG2-CG 4.42Å; I208-Q212 VanDerWaalsContact O-CG 3.25Å; I208-Q212 WeakPolarHBondContact O-CG 3.3Å; I208-Q212 PolarHBondContact O-N 3.39Å; R209-Q212 PolarHBondContact O-N 3.39Å; Q212-E231 HydrophobicContact CG-CG 4.18Å; Q212-E231 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E231 WeakPolarHBondContact CG-OE2 3.24Å; Q212-E231 PolarHBondContact NE2-OE1 3.19Å |
| 213 | E | 98.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 86.7 Ų | 86.7 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.8 | 176.2 | -75.3 | 165.1 | -159.7 | 0 | 0 | 113.4 | R209 L211 H345 L346 | R209-E213 WeakPolarHBondContact O-CG 3.41Å; R209-E213 PolarHBondContact O-N 2.82Å; L211-E213 PolarHBondContact O-N 2.87Å; E213-H345 IonicContact OE1-CD2 3.61Å; E213-H345 IonicContact OE1-CE1 3.56Å; E213-H345 IonicContact OE1-NE2 2.67Å; E213-H345 PolarHBondContact OE1-NE2 3.19Å; E213-L346 HydrophobicContact CG-CD1 4.38Å; E213-L346 HydrophobicContact CG-CD2 4.15Å |
| 214 | K | 97.8 | Very high | 96.7 | Very high | 83 Ų | 83 | 85.2 Ų | 85.2 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | trans | -79.1 | 132.1 | 172.8 | -80 | -173.5 | 144.6 | -140.5 | 0 | 111.3 | L211 | L211-K214 HydrophobicContact CD2-CD 4.46Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.17Å | ||
| 215 | E | 96.8 | Very high | 96.5 | Very high | 189 Ų | 189 | 86.4 Ų | 86.4 | 88% | 0.883 | 45% | 0.445 | S | S | * | . | trans | -74.6 | 144.2 | 158.7 | -61.6 | 177.7 | -175 | 0 | 0 | 109.4 | ||||
| 216 | L | 97 | Very high | 96.4 | Very high | 59 Ų | 59 | 83.9 Ų | 83.9 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | -114 | 138.3 | 174.3 | -69.4 | 80.8 | 0 | 0 | 0 | 109.2 | E220 L221 S227 | L216-E220 HydrophobicContact CB-CB 4.11Å; L216-E220 HydrophobicContact CD2-CB 4.45Å; L216-E220 HydrophobicContact CG-CB 4.34Å; L216-L221 HydrophobicContact CB-CD2 4.38Å; L216-L221 HydrophobicContact CB-CG 4.24Å; L216-L221 HydrophobicContact CD2-CD2 4.06Å; L216-S227 VanDerWaalsContact CD1-OG 3.29Å; L216-S227 WeakPolarHBondContact CD1-OG 3.34Å; L216-S227 VanDerWaalsContact CG-OG 3.29Å; L216-S227 WeakPolarHBondContact CG-OG 3.48Å | ||
| 217 | D | 95.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 81.2 Ų | 81.2 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | trans | -92.3 | -179.1 | 170.3 | 83.8 | 11.7 | 0 | 0 | 0 | 112.6 | S219 E220 L221 | D217-S219 PolarHBondContact O-N 3.42Å; D217-S219 WeakPolarHBondContact OD1-CA 3.19Å; D217-S219 WeakPolarHBondContact OD1-CB 3.19Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.39Å; D217-E220 PolarHBondContact O-N 2.76Å; D217-E220 PolarHBondContact OD1-N 2.67Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.3Å; D217-L221 WeakPolarHBondContact O-CG 3.21Å; D217-L221 PolarHBondContact O-N 3.35Å | ||
| 218 | L | 94.3 | Very high | 96.4 | Very high | 159 Ų | 159 | 85.6 Ų | 85.6 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.5 | -177.8 | -62.5 | 179.8 | 0 | 0 | 0 | 114.2 | L221 | L218-L221 HydrophobicContact CD2-CD1 4.32Š|
| 219 | S | 93.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 88.1 Ų | 88.1 | 57% | 0.566 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -41.3 | 172.8 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | D217 L221 D222 D223 | D217-S219 PolarHBondContact O-N 3.42Å; D217-S219 WeakPolarHBondContact OD1-CA 3.19Å; D217-S219 WeakPolarHBondContact OD1-CB 3.19Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.39Å; S219-L221 PolarHBondContact O-N 3.13Å; S219-D222 PolarHBondContact O-N 3.48Å; S219-D222 VanDerWaalsContact O-N 3.07Å; S219-D223 PolarHBondContact O-N 2.89Å |
| 220 | E | 94.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 86 Ų | 86 | 27% | 0.271 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.2 | 170.5 | -71.9 | -157.3 | -169.7 | 0 | 0 | 111.9 | L216 D217 D222 D223 S226 | L216-E220 HydrophobicContact CB-CB 4.11Å; L216-E220 HydrophobicContact CD2-CB 4.45Å; L216-E220 HydrophobicContact CG-CB 4.34Å; D217-E220 PolarHBondContact O-N 2.76Å; D217-E220 PolarHBondContact OD1-N 2.67Å; E220-D222 VanDerWaalsContact C-N 3.29Å; E220-D222 PolarHBondContact O-N 3.06Å; E220-D223 PolarHBondContact O-N 2.74Å; E220-S226 WeakPolarHBondContact O-CB 3.42Å |
| 221 | L | 93.7 | Very high | 96.3 | Very high | 119 Ų | 119 | 81.4 Ų | 81.4 | 62% | 0.623 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.2 | 175.2 | -77.6 | 169.6 | 0 | 0 | 0 | 114.9 | L216 D217 L218 S219 | L216-L221 HydrophobicContact CB-CD2 4.38Å; L216-L221 HydrophobicContact CB-CG 4.24Å; L216-L221 HydrophobicContact CD2-CD2 4.06Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.3Å; D217-L221 WeakPolarHBondContact O-CG 3.21Å; D217-L221 PolarHBondContact O-N 3.35Å; L218-L221 HydrophobicContact CD2-CD1 4.32Å; S219-L221 PolarHBondContact O-N 3.13Å |
| 222 | D | 92.3 | Very high | 96.3 | Very high | 148 Ų | 148 | 82.7 Ų | 82.7 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -5.3 | 174.1 | -153.3 | 42 | 0 | 0 | 0 | 111.9 | S219 E220 | S219-D222 PolarHBondContact O-N 3.48Å; S219-D222 VanDerWaalsContact O-N 3.07Å; E220-D222 VanDerWaalsContact C-N 3.29Å; E220-D222 PolarHBondContact O-N 3.06Å |
| 223 | D | 95.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 86.1 Ų | 86.1 | 37% | 0.369 | 44% | 0.438 | S | S | . | . | trans | -78.3 | 121.9 | -177.4 | -175.8 | -16.4 | 0 | 0 | 0 | 111.8 | S219 E220 D225 S226 | S219-D223 PolarHBondContact O-N 2.89Å; E220-D223 PolarHBondContact O-N 2.74Å; D223-D225 PolarHBondContact O-N 3.08Å; D223-D225 WeakPolarHBondContact OD1-CA 3.22Å; D223-D225 PolarHBondContact OD1-N 2.99Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.44Å; D223-S226 VanDerWaalsContact O-N 3.1Å; D223-S226 PolarHBondContact O-OG 3.42Å; D223-S226 PolarHBondContact OD1-N 3.49Å | ||
| 224 | P | 94.8 | Very high | 96.3 | Very high | 86 Ų | 86 | 81.9 Ų | 81.9 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.6 | 177.8 | 28.6 | -36.6 | 0 | 0 | 0 | 114.2 | L229 R233 | P224-L229 VanDerWaalsContact O-CD1 3.23Å; P224-L229 WeakPolarHBondContact O-CD1 3.09Å; P224-R233 PolarHBondContact O-NH2 3.29Å |
| 225 | D | 95.2 | Very high | 96.3 | Very high | 82 Ų | 82 | 82.4 Ų | 82.4 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 17.1 | 174.7 | -75.8 | -44.7 | 0 | 0 | 0 | 112.7 | D223 Q230 R233 | D223-D225 PolarHBondContact O-N 3.08Å; D223-D225 WeakPolarHBondContact OD1-CA 3.22Å; D223-D225 PolarHBondContact OD1-N 2.99Å; D225-Q230 WeakPolarHBondContact O-CG 3.41Å; D225-Q230 PolarHBondContact O-NE2 3.19Å; D225-R233 IonicContact OD1-CZ 2.74Å; D225-R233 IonicContact OD1-NH1 3.38Å; D225-R233 PolarHBondContact OD1-NH1 3.04Å; D225-R233 IonicContact OD1-NH2 3.86Å; D225-R233 PolarHBondContact OD1-NH2 3.15Å |
| 226 | S | 96.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 80.4 Ų | 80.4 | 5% | 0.049 | 41% | 0.405 | C | S | . | . | trans | -50.1 | 154 | 171.8 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | E220 D223 Y228 L229 Q230 | E220-S226 WeakPolarHBondContact O-CB 3.42Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.44Å; D223-S226 VanDerWaalsContact O-N 3.1Å; D223-S226 PolarHBondContact O-OG 3.42Å; D223-S226 PolarHBondContact OD1-N 3.49Å; S226-Y228 VanDerWaalsContact C-N 3.26Å; S226-Y228 PolarHBondContact O-N 3.32Å; S226-L229 CarbonylContact O-C 3.6Å; S226-L229 PolarHBondContact O-N 3.17Å; S226-L229 WeakPolarHBondContact OG-CG 3.4Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.43Å | ||
| 227 | S | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.014 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -52.7 | -39.6 | -179.5 | 54.2 | 0 | 0 | 0 | 0 | 114 | L216 Q230 E231 | L216-S227 VanDerWaalsContact CD1-OG 3.29Å; L216-S227 WeakPolarHBondContact CD1-OG 3.34Å; L216-S227 VanDerWaalsContact CG-OG 3.29Å; L216-S227 WeakPolarHBondContact CG-OG 3.48Å; S227-Q230 PolarHBondContact O-N 2.9Å; S227-E231 WeakPolarHBondContact O-CB 3.44Å; S227-E231 PolarHBondContact O-N 2.84Å |
| 228 | Y | 97.8 | Very high | 96.6 | Very high | 155 Ų | 155 | 79.4 Ų | 79.4 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 174.5 | 177.9 | -108 | 0 | 0 | 0 | 112.9 | S226 E231 A232 | S226-Y228 VanDerWaalsContact C-N 3.26Å; S226-Y228 PolarHBondContact O-N 3.32Å; Y228-E231 WeakPolarHBondContact O-CB 3.3Å; Y228-E231 PolarHBondContact O-N 2.83Å; Y228-A232 PolarHBondContact O-N 2.82Å |
| 229 | L | 97.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 77 Ų | 77 | 34% | 0.335 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -74.6 | -33.3 | 176.9 | -66.5 | 179.1 | 0 | 0 | 0 | 112 | P224 S226 A232 R233 | P224-L229 VanDerWaalsContact O-CD1 3.23Å; P224-L229 WeakPolarHBondContact O-CD1 3.09Å; S226-L229 CarbonylContact O-C 3.6Å; S226-L229 PolarHBondContact O-N 3.17Å; S226-L229 WeakPolarHBondContact OG-CG 3.4Å; L229-A232 PolarHBondContact O-N 3.38Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.04Å |
| 230 | Q | 97.9 | Very high | 97 | Very high | 79 Ų | 79 | 81 Ų | 81 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 167.2 | -66 | 180 | 24.7 | 0 | 0 | 111 | L211 D225 S226 S227 A232 R233 L234 | L211-Q230 HydrophobicContact CD1-CB 4Å; L211-Q230 HydrophobicContact CD2-CB 4.28Å; D225-Q230 WeakPolarHBondContact O-CG 3.41Å; D225-Q230 PolarHBondContact O-NE2 3.19Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.43Å; S227-Q230 PolarHBondContact O-N 2.9Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 3.11Å; Q230-R233 PolarHBondContact O-N 2.91Å; Q230-L234 WeakPolarHBondContact O-CB 3.29Å; Q230-L234 PolarHBondContact O-N 3.47Å |
| 231 | E | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 79.1 Ų | 79.1 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 176.5 | -163.9 | -150.2 | 144.2 | 0 | 0 | 111.2 | I208 L211 Q212 S227 Y228 R233 L234 K235 | I208-E231 HydrophobicContact CG2-CG 4.03Å; L211-E231 HydrophobicContact CB-CB 4.14Å; L211-E231 HydrophobicContact CB-CG 4.33Å; L211-E231 HydrophobicContact CD1-CB 4.35Å; Q212-E231 HydrophobicContact CG-CG 4.18Å; Q212-E231 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E231 WeakPolarHBondContact CG-OE2 3.24Å; Q212-E231 PolarHBondContact NE2-OE1 3.19Å; S227-E231 WeakPolarHBondContact O-CB 3.44Å; S227-E231 PolarHBondContact O-N 2.84Å; Y228-E231 WeakPolarHBondContact O-CB 3.3Å; Y228-E231 PolarHBondContact O-N 2.83Å; E231-R233 PolarHBondContact O-N 3.01Å; E231-L234 PolarHBondContact O-N 3.02Å; E231-K235 HydrophobicContact CG-CD 4.39Å; E231-K235 WeakPolarHBondContact O-CB 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.48Å; E231-K235 PolarHBondContact O-N 3.18Å; E231-K235 WeakPolarHBondContact OE1-CD 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.45Å; E231-K235 IonicContact OE1-NZ 2.66Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å |
| 232 | A | 98.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 76.5 Ų | 76.5 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.2 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y228 L229 Q230 R236 | Y228-A232 PolarHBondContact O-N 2.82Å; L229-A232 PolarHBondContact O-N 3.38Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 3.11Å; A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.23Å; A232-R236 PolarHBondContact O-NE 3.34Å |
| 233 | R | 98.3 | Very high | 97.6 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 170.6 | -70 | 169 | -164.2 | -169.2 | 13.1 | 110.8 | P224 D225 L229 Q230 E231 R236 K237 | P224-R233 PolarHBondContact O-NH2 3.29Å; D225-R233 IonicContact OD1-CZ 2.74Å; D225-R233 IonicContact OD1-NH1 3.38Å; D225-R233 PolarHBondContact OD1-NH1 3.04Å; D225-R233 IonicContact OD1-NH2 3.86Å; D225-R233 PolarHBondContact OD1-NH2 3.15Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.04Å; Q230-R233 PolarHBondContact O-N 2.91Å; E231-R233 PolarHBondContact O-N 3.01Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 3.05Å; R233-K237 PolarHBondContact O-N 3Å |
| 234 | L | 98.4 | Very high | 97.6 | Very high | 25 Ų | 25 | 73.6 Ų | 73.6 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.7 | -40.4 | -177.1 | -170.5 | 56 | 0 | 0 | 0 | 112.9 | Y204 E207 I208 L211 Q230 E231 R236 K237 L238 | Y204-L234 HydrophobicContact CD1-CD1 3.66Å; Y204-L234 HydrophobicContact CD2-CD1 4.24Å; Y204-L234 HydrophobicContact CE1-CD1 3.98Å; Y204-L234 HydrophobicContact CG-CD1 3.79Å; E207-L234 HydrophobicContact CB-CD2 3.79Å; E207-L234 HydrophobicContact CG-CD2 3.52Å; I208-L234 HydrophobicContact CD1-CG 4.18Å; I208-L234 HydrophobicContact CG1-CB 4.15Å; I208-L234 HydrophobicContact CG1-CD2 3.81Å; I208-L234 HydrophobicContact CG1-CG 3.83Å; L211-L234 HydrophobicContact CD1-CD2 4.28Å; Q230-L234 WeakPolarHBondContact O-CB 3.29Å; Q230-L234 PolarHBondContact O-N 3.47Å; E231-L234 PolarHBondContact O-N 3.02Å; L234-R236 VanDerWaalsContact C-N 3.26Å; L234-R236 PolarHBondContact O-N 3.47Å; L234-K237 PolarHBondContact O-N 3.36Å; L234-K237 VanDerWaalsContact O-N 3.12Å; L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 3.45Å |
| 235 | K | 98.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 69.7 Ų | 69.7 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.2 | -41.6 | 168.7 | -83.5 | 174.7 | 160.1 | 170.4 | 0 | 111.6 | I208 E231 L238 I239 | I208-K235 HydrophobicContact CD1-CB 4.49Å; I208-K235 HydrophobicContact CD1-CG 3.79Å; I208-K235 HydrophobicContact CG1-CG 4.3Å; I208-K235 HydrophobicContact CG2-CG 4.41Å; E231-K235 HydrophobicContact CG-CD 4.39Å; E231-K235 WeakPolarHBondContact O-CB 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.48Å; E231-K235 PolarHBondContact O-N 3.18Å; E231-K235 WeakPolarHBondContact OE1-CD 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.45Å; E231-K235 IonicContact OE1-NZ 2.66Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å; K235-L238 PolarHBondContact O-N 3.17Å; K235-I239 WeakPolarHBondContact O-CG1 3.33Å; K235-I239 PolarHBondContact O-N 2.85Å |
| 236 | R | 98.4 | Very high | 97.8 | Very high | 147 Ų | 147 | 66.3 Ų | 66.3 | 56% | 0.555 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 174.7 | -75.1 | 178.3 | -73.2 | 166.9 | -4.2 | 112.6 | A232 R233 L234 R240 | A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.23Å; A232-R236 PolarHBondContact O-NE 3.34Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 3.05Å; L234-R236 VanDerWaalsContact C-N 3.26Å; L234-R236 PolarHBondContact O-N 3.47Å; R236-R240 PolarHBondContact O-N 3.38Å |
| 237 | K | 98.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.6 | -70.6 | -168.9 | 177.2 | -168.4 | 0 | 111.5 | Y204 R233 L234 R240 L241 | Y204-K237 HydrophobicContact CE2-CB 4.03Å; R233-K237 PolarHBondContact O-N 3Å; L234-K237 PolarHBondContact O-N 3.36Å; L234-K237 VanDerWaalsContact O-N 3.12Å; K237-R240 PolarHBondContact O-N 3.07Å; K237-L241 WeakPolarHBondContact O-CB 3.28Å; K237-L241 PolarHBondContact O-N 2.97Å |
| 238 | L | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.5 | -174.9 | 162 | 0 | 0 | 0 | 112.9 | L201 Y204 V205 I208 L234 K235 R240 L241 F242 | L201-L238 HydrophobicContact CD1-CD2 4.01Å; L201-L238 HydrophobicContact CD1-CG 3.79Å; Y204-L238 HydrophobicContact CD2-CB 4.19Å; V205-L238 HydrophobicContact CG2-CD1 3.74Å; I208-L238 HydrophobicContact CD1-CB 4.37Å; I208-L238 HydrophobicContact CD1-CD1 3.5Å; I208-L238 VanDerWaalsContact CD1-CD1 3.5Å; L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 3.45Å; K235-L238 PolarHBondContact O-N 3.17Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.94Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.88Å; L238-F242 PolarHBondContact O-N 2.98Å |
| 239 | I | 97.8 | Very high | 97.6 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.6 | -35.4 | -179.3 | -65 | -63.3 | 0 | 0 | 0 | 111.9 | K235 F242 G243 | K235-I239 WeakPolarHBondContact O-CG1 3.33Å; K235-I239 PolarHBondContact O-N 2.85Å; I239-F242 PolarHBondContact O-N 3.34Å; I239-G243 PolarHBondContact O-N 2.91Å |
| 240 | R | 98.1 | Very high | 97.4 | Very high | 164 Ų | 164 | 69.5 Ų | 69.5 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 171.4 | -69.3 | -166.8 | -64.9 | -106.8 | 13.7 | 112 | R236 K237 L238 F242 G243 R244 | R236-R240 PolarHBondContact O-N 3.38Å; K237-R240 PolarHBondContact O-N 3.07Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.94Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3.26Å; R240-G243 PolarHBondContact O-N 3.1Å; R240-R244 PolarHBondContact O-N 3.33Å |
| 241 | L | 97.9 | Very high | 97.3 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 175.7 | 179.4 | 59.8 | 0 | 0 | 0 | 112.4 | L197 L200 L201 Y204 K237 L238 L245 | L197-L241 HydrophobicContact CB-CD1 3.98Å; L197-L241 HydrophobicContact CD2-CD1 3.59Å; L197-L241 HydrophobicContact CG-CD1 4.24Å; L200-L241 HydrophobicContact CB-CD2 4.06Å; L200-L241 HydrophobicContact CD2-CD1 4.46Å; L200-L241 HydrophobicContact CD2-CD2 3.91Å; L200-L241 HydrophobicContact CG-CD2 3.78Å; L201-L241 HydrophobicContact CB-CD2 4.02Å; L201-L241 HydrophobicContact CD1-CB 4.21Å; L201-L241 HydrophobicContact CD1-CD2 3.91Å; L201-L241 HydrophobicContact CD1-CG 3.94Å; Y204-L241 HydrophobicContact CD2-CD2 3.89Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å; K237-L241 WeakPolarHBondContact O-CB 3.28Å; K237-L241 PolarHBondContact O-N 2.97Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.88Å; L241-L245 WeakPolarHBondContact O-CB 3.41Å; L241-L245 PolarHBondContact O-N 2.81Å |
| 242 | F | 98.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 172.8 | 174.4 | -100.8 | 0 | 0 | 0 | 112.3 | L201 L238 I239 R240 R244 L245 C246 T255 | L201-F242 HydrophobicContact CD1-CB 4.42Å; L238-F242 PolarHBondContact O-N 2.98Å; I239-F242 PolarHBondContact O-N 3.34Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3.26Å; F242-R244 PolarHBondContact O-N 2.98Å; F242-L245 WeakPolarHBondContact O-CB 3.37Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-L245 VanDerWaalsContact O-N 3.14Å; F242-C246 PolarHBondContact O-N 2.96Å; F242-T255 HydrophobicContact CE1-CG2 4.07Å; F242-T255 HydrophobicContact CZ-CG2 4.46Å |
| 243 | G | 97.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 74.4 Ų | 74.4 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I239 R240 L245 C246 E247 | I239-G243 PolarHBondContact O-N 2.91Å; R240-G243 PolarHBondContact O-N 3.1Å; G243-L245 VanDerWaalsContact C-N 3.29Å; G243-L245 PolarHBondContact O-N 3.32Å; G243-C246 WeakPolarHBondContact O-CB 3.31Å; G243-C246 PolarHBondContact O-N 2.91Å; G243-E247 PolarHBondContact O-N 3.43Å |
| 244 | R | 96.6 | Very high | 96.7 | Very high | 135 Ų | 135 | 74.6 Ų | 74.6 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -34.3 | 176.2 | -170.5 | 54.2 | 161.2 | -176 | -6.7 | 113 | R240 F242 E247 L248 | R240-R244 PolarHBondContact O-N 3.33Å; F242-R244 PolarHBondContact O-N 2.98Å; R244-E247 WeakPolarHBondContact CD-OE2 3.27Å; R244-E247 IonicContact CZ-OE2 2.7Å; R244-E247 IonicContact NE-OE2 2.71Å; R244-E247 IonicContact NH1-OE2 3.66Å; R244-E247 PolarHBondContact NH1-OE2 3.25Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å |
| 245 | L | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 77.2 Ų | 77.2 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 172.6 | -87.4 | 167.4 | 0 | 0 | 0 | 112.8 | I194 L197 E198 L201 L241 F242 G243 K249 | I194-L245 HydrophobicContact CG2-CD2 4.1Å; L197-L245 HydrophobicContact CB-CD1 4.28Å; L197-L245 HydrophobicContact CB-CD2 3.76Å; L197-L245 HydrophobicContact CB-CG 4Å; L197-L245 HydrophobicContact CD1-CD2 4.49Å; E198-L245 HydrophobicContact CG-CD1 4.37Å; E198-L245 HydrophobicContact CG-CD2 4.05Å; L201-L245 HydrophobicContact CB-CD1 4.41Å; L201-L245 HydrophobicContact CD2-CD1 4.08Å; L241-L245 WeakPolarHBondContact O-CB 3.41Å; L241-L245 PolarHBondContact O-N 2.81Å; F242-L245 WeakPolarHBondContact O-CB 3.37Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-L245 VanDerWaalsContact O-N 3.14Å; G243-L245 VanDerWaalsContact C-N 3.29Å; G243-L245 PolarHBondContact O-N 3.32Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.43Å |
| 246 | C | 96.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 75.8 Ų | 75.8 | 8% | 0.081 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 174 | -75.3 | 0 | 0 | 0 | 0 | 112 | F242 G243 K249 D250 C251 S252 | F242-C246 PolarHBondContact O-N 2.96Å; G243-C246 WeakPolarHBondContact O-CB 3.31Å; G243-C246 PolarHBondContact O-N 2.91Å; C246-K249 PolarHBondContact O-N 3.37Å; C246-D250 PolarHBondContact O-N 3.04Å; C246-D250 VanDerWaalsContact O-N 3.15Å; C246-C251 HydrophobicContact CB-CB 4.36Å; C246-C251 PolarHBondContact O-N 3.28Å; C246-S252 PolarHBondContact SG-O 3.12Å |
| 247 | E | 96.1 | Very high | 96 | Very high | 114 Ų | 114 | 72.9 Ų | 72.9 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54 | -54.6 | 172.4 | -68 | 165.3 | -159.5 | 0 | 0 | 111.6 | G243 R244 K249 D250 | G243-E247 PolarHBondContact O-N 3.43Å; R244-E247 WeakPolarHBondContact CD-OE2 3.27Å; R244-E247 IonicContact CZ-OE2 2.7Å; R244-E247 IonicContact NE-OE2 2.71Å; R244-E247 IonicContact NH1-OE2 3.66Å; R244-E247 PolarHBondContact NH1-OE2 3.25Å; E247-K249 PolarHBondContact O-N 3.22Å; E247-K249 VanDerWaalsContact O-N 3.14Å; E247-D250 PolarHBondContact O-N 3.44Å |
| 248 | L | 95.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.7 | -23.2 | -178.5 | -70 | 170.3 | 0 | 0 | 0 | 113.3 | G189 Q193 I194 L197 R244 | G189-L248 PolarHBondContact N-O 3.37Å; Q193-L248 HydrophobicContact CG-CD1 4.35Å; I194-L248 HydrophobicContact CD1-CB 4.4Å; I194-L248 HydrophobicContact CG1-CB 4.14Å; L197-L248 HydrophobicContact CD1-CD1 3.45Å; L197-L248 VanDerWaalsContact CD1-CD1 3.45Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å |
| 249 | K | 95.5 | Very high | 95.6 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -89.9 | -11.1 | 177.7 | -72.8 | 171 | -178.3 | 175.4 | 0 | 113.6 | R188 I194 E198 L245 C246 E247 C251 | R188-K249 PolarHBondContact NE-O 2.97Å; R188-K249 PolarHBondContact NH2-O 3.23Å; I194-K249 HydrophobicContact CD1-CG 4.16Å; E198-K249 VanDerWaalsContact OE1-CE 3.3Å; E198-K249 WeakPolarHBondContact OE1-CE 3.46Å; E198-K249 IonicContact OE1-NZ 3.18Å; E198-K249 PolarHBondContact OE1-NZ 3.45Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.43Å; C246-K249 PolarHBondContact O-N 3.37Å; E247-K249 PolarHBondContact O-N 3.22Å; E247-K249 VanDerWaalsContact O-N 3.14Å; K249-C251 HydrophobicContact CB-CB 4.25Å |
| 250 | D | 94.8 | Very high | 95.3 | Very high | 99 Ų | 99 | 67.6 Ų | 67.6 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 61.7 | -164.2 | -160.6 | 42.3 | 0 | 0 | 0 | 110.6 | R186 C246 E247 | R186-D250 IonicContact NH1-OD1 3.15Å; C246-D250 PolarHBondContact O-N 3.04Å; C246-D250 VanDerWaalsContact O-N 3.15Å; E247-D250 PolarHBondContact O-N 3.44Å |
| 251 | C | 94.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 49% | 0.493 | 36% | 0.357 | S | S | . | . | trans | -133.1 | 156.1 | -176.8 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | C246 K249 | C246-C251 HydrophobicContact CB-CB 4.36Å; C246-C251 PolarHBondContact O-N 3.28Å; K249-C251 HydrophobicContact CB-CB 4.25Å | ||
| 252 | S | 93.8 | Very high | 94.9 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | trans | -70.3 | 153.3 | 171.5 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | C246 L254 | C246-S252 PolarHBondContact SG-O 3.12Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 WeakPolarHBondContact OG-CG 3.47Å; S252-L254 PolarHBondContact OG-N 3.5Å | ||
| 253 | S | 94.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 69 Ų | 69 | 57% | 0.573 | 37% | 0.37 | S | S | * | . | trans | -81.4 | -0.8 | 172.1 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 254 | L | 93.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 71.6 Ų | 71.6 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | trans | -57.8 | 137.1 | 174.3 | -70.2 | 170.8 | 0 | 0 | 0 | 111.4 | S252 E260 | S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 WeakPolarHBondContact OG-CG 3.47Å; S252-L254 PolarHBondContact OG-N 3.5Å; L254-E260 HydrophobicContact CD2-CB 4.17Å; L254-E260 HydrophobicContact CD2-CG 3.88Å | ||
| 255 | T | 94.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | trans | -101.8 | -12.8 | -173.7 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | F242 R257 E260 | F242-T255 HydrophobicContact CE1-CG2 4.07Å; F242-T255 HydrophobicContact CZ-CG2 4.46Å; T255-R257 WeakPolarHBondContact OG1-CG 3.36Å; T255-E260 PolarHBondContact N-OE1 3.39Å; T255-E260 PolarHBondContact N-OE2 2.95Å; T255-E260 VanDerWaalsContact N-OE2 3.09Å; T255-E260 PolarHBondContact OG1-OE1 3.49Å | ||
| 256 | G | 93.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 72 Ų | 72 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | trans | 89.3 | 10.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | E260 | G256-E260 WeakPolarHBondContact CA-OE2 3.33Å; G256-E260 PolarHBondContact N-OE2 3.37Å | ||
| 257 | R | 93.8 | Very high | 94.7 | Very high | 86 Ų | 86 | 73.8 Ų | 73.8 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | trans | -59.8 | 157.4 | 178.7 | -90.3 | 178 | 70 | -170.7 | 9.2 | 112.9 | T255 I259 E260 D337 | T255-R257 WeakPolarHBondContact OG1-CG 3.36Å; R257-I259 HydrophobicContact CB-CG2 4.22Å; R257-E260 HydrophobicContact CB-CG 4.01Å; R257-E260 PolarHBondContact N-OE2 2.91Å; R257-E260 WeakPolarHBondContact O-CB 3.47Å; R257-E260 PolarHBondContact O-N 3.25Å; R257-D337 WeakPolarHBondContact CB-OD1 3.36Å; R257-D337 IonicContact CZ-OD2 2.66Å; R257-D337 VanDerWaalsContact CZ-OD2 3.27Å; R257-D337 IonicContact NE-OD1 2.73Å; R257-D337 PolarHBondContact NE-OD1 3.07Å; R257-D337 IonicContact NE-OD2 3.33Å; R257-D337 PolarHBondContact NE-OD2 3.48Å; R257-D337 IonicContact NH2-OD2 3.02Å; R257-D337 PolarHBondContact NH2-OD2 2.85Å | ||
| 258 | V | 94.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -73.1 | -30.5 | -179.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | E260 Q261 R333 L336 D337 Y340 | V258-E260 PolarHBondContact O-N 3.03Å; V258-Q261 VanDerWaalsContact O-CB 3.29Å; V258-Q261 WeakPolarHBondContact O-CB 3.35Å; V258-Q261 PolarHBondContact O-N 3.1Å; V258-R333 HydrophobicContact CG1-CG 3.94Å; V258-R333 WeakPolarHBondContact O-CD 3.41Å; V258-R333 VanDerWaalsContact O-CG 3.31Å; V258-R333 WeakPolarHBondContact O-CG 3.35Å; V258-L336 HydrophobicContact CG1-CB 3.85Å; V258-D337 HydrophobicContact CB-CB 3.99Å; V258-D337 PolarHBondContact N-OD1 2.88Å; V258-Y340 HydrophobicContact CG2-CD2 3.67Å; V258-Y340 HydrophobicContact CG2-CE2 4.1Å |
| 259 | I | 92.2 | Very high | 94.7 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.205 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.8 | 172.9 | -162.7 | 161.6 | 0 | 0 | 0 | 113.2 | R257 Q261 L286 D337 | R257-I259 HydrophobicContact CB-CG2 4.22Å; I259-Q261 PolarHBondContact O-N 2.85Å; I259-L286 HydrophobicContact CD1-CD2 4.16Å; I259-D337 HydrophobicContact CB-CB 4.24Å; I259-D337 PolarHBondContact N-OD1 2.97Å |
| 260 | E | 92.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 75 Ų | 75 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.7 | 173.4 | -59 | 172.8 | -174.6 | 0 | 0 | 112.3 | L254 T255 G256 R257 V258 | L254-E260 HydrophobicContact CD2-CB 4.17Å; L254-E260 HydrophobicContact CD2-CG 3.88Å; T255-E260 PolarHBondContact N-OE1 3.39Å; T255-E260 PolarHBondContact N-OE2 2.95Å; T255-E260 VanDerWaalsContact N-OE2 3.09Å; T255-E260 PolarHBondContact OG1-OE1 3.49Å; G256-E260 WeakPolarHBondContact CA-OE2 3.33Å; G256-E260 PolarHBondContact N-OE2 3.37Å; R257-E260 HydrophobicContact CB-CG 4.01Å; R257-E260 PolarHBondContact N-OE2 2.91Å; R257-E260 WeakPolarHBondContact O-CB 3.47Å; R257-E260 PolarHBondContact O-N 3.25Å; V258-E260 PolarHBondContact O-N 3.03Å |
| 261 | Q | 93.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 73.3 Ų | 73.3 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -76.4 | 127.9 | -178 | -59.3 | -176.5 | 21.5 | 0 | 0 | 111.5 | V258 I259 I263 R333 | V258-Q261 VanDerWaalsContact O-CB 3.29Å; V258-Q261 WeakPolarHBondContact O-CB 3.35Å; V258-Q261 PolarHBondContact O-N 3.1Å; I259-Q261 PolarHBondContact O-N 2.85Å; Q261-I263 PolarHBondContact O-N 3.1Å; Q261-R333 WeakPolarHBondContact O-CD 3.42Å; Q261-R333 PolarHBondContact O-NH1 3.11Å |
| 262 | R | 94.4 | Very high | 95 | Very high | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 38% | 0.384 | S | S | * | . | trans | -75.9 | 111.5 | -176.2 | -176.9 | -172.5 | 176.2 | -74.9 | 3.7 | 111.5 | P264 E278 N282 | R262-P264 VanDerWaalsContact O-CD 3.31Å; R262-P264 WeakPolarHBondContact O-CD 3.36Å; R262-E278 IonicContact CZ-OE1 3.75Å; R262-E278 VanDerWaalsContact CZ-OE1 3.24Å; R262-E278 IonicContact NH1-OE1 3.25Å; R262-E278 PolarHBondContact NH1-OE1 2.94Å; R262-E278 IonicContact NH2-OE1 2.69Å; R262-E278 PolarHBondContact NH2-OE1 3.46Å; R262-E278 IonicContact NH2-OE2 3.4Å; R262-N282 WeakPolarHBondContact CA-OD1 3.03Å; R262-N282 HydrophobicContact CG-CB 4.23Å | ||
| 263 | I | 95.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -70.6 | 117.6 | 176.6 | -60.7 | 171 | 0 | 0 | 0 | 109.4 | Q261 I281 N282 R329 L330 R333 | Q261-I263 PolarHBondContact O-N 3.1Å; I263-I281 HydrophobicContact CB-CD1 4.01Å; I263-I281 HydrophobicContact CG2-CD1 3.85Å; I263-N282 PolarHBondContact N-OD1 3.46Å; I263-N282 PolarHBondContact O-ND2 3.15Å; I263-R329 HydrophobicContact CD1-CB 4.23Å; I263-R329 HydrophobicContact CG2-CB 4.05Å; I263-L330 HydrophobicContact CD1-CD2 3.73Å; I263-L330 HydrophobicContact CD1-CG 4.21Å; I263-R333 HydrophobicContact CD1-CB 4.19Å | ||
| 264 | P | 96.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | trans | -75.5 | 136.9 | 170.1 | 31.9 | -32.7 | 0 | 0 | 0 | 110.1 | R262 R329 | R262-P264 VanDerWaalsContact O-CD 3.31Å; R262-P264 WeakPolarHBondContact O-CD 3.36Å; P264-R329 PolarHBondContact O-NH1 3.05Å | ||
| 265 | Y | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 66.4 Ų | 66.4 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | trans | -121.8 | 125.8 | 177 | 179.4 | -89.6 | 0 | 0 | 0 | 111.7 | G267 T268 N274 I277 A322 D325 V326 | Y265-G267 WeakPolarHBondContact OH-CA 3.38Å; Y265-T268 HydrophobicContact CE1-CG2 4.3Å; Y265-N274 HydrophobicContact CD1-CB 4.26Å; Y265-N274 VanDerWaalsContact CE1-OD1 3.23Å; Y265-N274 WeakPolarHBondContact CE1-OD1 3.25Å; Y265-I277 HydrophobicContact CD1-CB 3.73Å; Y265-I277 HydrophobicContact CD1-CD1 4.1Å; Y265-I277 HydrophobicContact CD1-CG2 3.66Å; Y265-I277 HydrophobicContact CD2-CG2 4.02Å; Y265-I277 HydrophobicContact CE1-CB 4.02Å; Y265-I277 HydrophobicContact CE1-CD1 3.47Å; Y265-I277 VanDerWaalsContact CE1-CD1 3.47Å; Y265-I277 HydrophobicContact CE1-CG1 4.37Å; Y265-I277 HydrophobicContact CE1-CG2 3.98Å; Y265-I277 HydrophobicContact CE2-CG2 4.28Å; Y265-I277 HydrophobicContact CG-CB 4.25Å; Y265-I277 HydrophobicContact CG-CG2 3.7Å; Y265-A322 WeakPolarHBondContact OH-CA 3.04Å; Y265-A322 VanDerWaalsContact OH-CB 3.27Å; Y265-A322 WeakPolarHBondContact OH-CB 3.5Å; Y265-D325 HydrophobicContact CE2-CB 4.33Å; Y265-D325 WeakPolarHBondContact CE2-OD2 3.47Å; Y265-V326 HydrophobicContact CD2-CG2 3.72Å; Y265-V326 HydrophobicContact CE2-CG2 3.91Å | ||
| 266 | R | 97.2 | Very high | 95.7 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | trans | -141.6 | 20.6 | -176.8 | -63.1 | -68.1 | 171.9 | -102.8 | -5.2 | 112.7 | T268 E278 | R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.02Å; R266-E278 IonicContact CZ-OE1 3.02Å; R266-E278 IonicContact CZ-OE2 3.88Å; R266-E278 VanDerWaalsContact NH1-CD 3.32Å; R266-E278 IonicContact NH1-OE1 3.33Å; R266-E278 IonicContact NH1-OE2 3.18Å; R266-E278 PolarHBondContact NH1-OE2 2.91Å; R266-E278 IonicContact NH2-OE1 3.62Å; R266-E278 PolarHBondContact NH2-OE1 3.47Å; R266-E278 IonicContact NH2-OE2 2.8Å; R266-E278 PolarHBondContact NH2-OE2 3.23Å | ||
| 267 | G | 95 | Very high | 95.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | trans | -67.7 | -23.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y265 | Y265-G267 WeakPolarHBondContact OH-CA 3.38Š| ||
| 268 | T | 95.9 | Very high | 96 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -99 | 158.7 | 177.3 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | Y265 R266 Y270 V273 N274 L318 | Y265-T268 HydrophobicContact CE1-CG2 4.3Å; R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.02Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 PolarHBondContact OG1-N 3Å; T268-Y270 PolarHBondContact OG1-O 3.41Å; T268-V273 HydrophobicContact CG2-CG1 3.97Å; T268-N274 WeakPolarHBondContact CB-OD1 3.47Å; T268-N274 PolarHBondContact N-OD1 2.66Å; T268-N274 PolarHBondContact O-ND2 3.36Å; T268-N274 PolarHBondContact O-OD1 3.27Å; T268-N274 PolarHBondContact OG1-OD1 2.9Å; T268-L318 HydrophobicContact CG2-CD2 4.11Å |
| 269 | R | 95.8 | Very high | 96 | Very high | 169 Ų | 169 | 66.1 Ų | 66.1 | 64% | 0.638 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -71.3 | 0 | 170.9 | 71.8 | -175.3 | -177.6 | -150.8 | -3.1 | 114.9 | ||
| 270 | Y | 97.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 65 Ų | 65 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | trans | -112.9 | 105.5 | -174.1 | -64.3 | -73.2 | 0 | 0 | 0 | 110.8 | T268 E272 V273 N274 L308 L310 L318 | T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 PolarHBondContact OG1-N 3Å; T268-Y270 PolarHBondContact OG1-O 3.41Å; Y270-E272 PolarHBondContact O-N 3.01Å; Y270-E272 VanDerWaalsContact O-N 3.11Å; Y270-V273 HydrophobicContact CG-CG2 4.48Å; Y270-V273 PolarHBondContact O-N 2.85Å; Y270-N274 VanDerWaalsContact O-CG 3.32Å; Y270-N274 PolarHBondContact O-N 3.25Å; Y270-N274 PolarHBondContact O-ND2 3.31Å; Y270-L308 HydrophobicContact CD1-CD1 3.8Å; Y270-L308 HydrophobicContact CD1-CD2 4.18Å; Y270-L308 HydrophobicContact CE1-CD1 4.4Å; Y270-L308 HydrophobicContact CG-CD1 3.98Å; Y270-L310 HydrophobicContact CD2-CD1 4.24Å; Y270-L310 HydrophobicContact CE1-CD2 4.48Å; Y270-L310 HydrophobicContact CE2-CD1 3.84Å; Y270-L310 HydrophobicContact CE2-CD2 4.12Å; Y270-L310 VanDerWaalsContact OH-CD2 3.31Å; Y270-L310 WeakPolarHBondContact OH-CD2 3.33Å; Y270-L318 HydrophobicContact CD2-CD1 4.29Å; Y270-L318 HydrophobicContact CE2-CD1 4.17Å | ||
| 271 | P | 97.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.5 | -29.1 | -179.7 | -26.8 | 35.3 | 0 | 0 | 0 | 114.3 | R275 | P271-R275 VanDerWaalsContact O-CB 3.28Å; P271-R275 WeakPolarHBondContact O-CB 3.3Å; P271-R275 WeakPolarHBondContact O-CD 3.36Å; P271-R275 WeakPolarHBondContact O-CG 3.44Å; P271-R275 PolarHBondContact O-N 2.88Å |
| 272 | E | 97.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.5 | -47.5 | -178.3 | -62.5 | 59.3 | -125.3 | 0 | 0 | 110.6 | Y270 R275 R276 H306 | Y270-E272 PolarHBondContact O-N 3.01Å; Y270-E272 VanDerWaalsContact O-N 3.11Å; E272-R275 PolarHBondContact O-N 2.9Å; E272-R276 PolarHBondContact O-N 3.36Å; E272-R276 VanDerWaalsContact O-N 3.09Å; E272-H306 HydrophobicContact CB-CB 4.33Å; E272-H306 HydrophobicContact CG-CB 3.98Å |
| 273 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | T268 Y270 R275 R276 I277 V299 A302 L308 | T268-V273 HydrophobicContact CG2-CG1 3.97Å; Y270-V273 HydrophobicContact CG-CG2 4.48Å; Y270-V273 PolarHBondContact O-N 2.85Å; V273-R275 PolarHBondContact O-N 3.37Å; V273-R276 WeakPolarHBondContact O-CB 3.3Å; V273-R276 PolarHBondContact O-N 3.07Å; V273-I277 HydrophobicContact CG1-CD1 3.7Å; V273-I277 PolarHBondContact O-N 3.43Å; V273-V299 HydrophobicContact CG1-CB 4.37Å; V273-V299 HydrophobicContact CG1-CG1 4.33Å; V273-V299 HydrophobicContact CG1-CG2 3.82Å; V273-A302 HydrophobicContact CB-CB 4.35Å; V273-A302 HydrophobicContact CG2-CB 3.87Å; V273-L308 HydrophobicContact CG2-CD1 3.96Å |
| 274 | N | 97.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.8 | -49.3 | 176.4 | -72.3 | -21.3 | 0 | 0 | 0 | 111.8 | Y265 T268 Y270 R276 I277 E278 | Y265-N274 HydrophobicContact CD1-CB 4.26Å; Y265-N274 VanDerWaalsContact CE1-OD1 3.23Å; Y265-N274 WeakPolarHBondContact CE1-OD1 3.25Å; T268-N274 WeakPolarHBondContact CB-OD1 3.47Å; T268-N274 PolarHBondContact N-OD1 2.66Å; T268-N274 PolarHBondContact O-ND2 3.36Å; T268-N274 PolarHBondContact O-OD1 3.27Å; T268-N274 PolarHBondContact OG1-OD1 2.9Å; Y270-N274 VanDerWaalsContact O-CG 3.32Å; Y270-N274 PolarHBondContact O-N 3.25Å; Y270-N274 PolarHBondContact O-ND2 3.31Å; N274-R276 PolarHBondContact O-N 3.17Å; N274-I277 PolarHBondContact O-N 3.32Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 2.83Å |
| 275 | R | 97.6 | Very high | 94.1 | Very high | 147 Ų | 147 | 61 Ų | 61 | 56% | 0.555 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65 | -20.6 | 176.3 | -74.6 | 166.2 | -179.3 | 174.8 | 1.2 | 113.5 | P271 E272 V273 R279 | P271-R275 VanDerWaalsContact O-CB 3.28Å; P271-R275 WeakPolarHBondContact O-CB 3.3Å; P271-R275 WeakPolarHBondContact O-CD 3.36Å; P271-R275 WeakPolarHBondContact O-CG 3.44Å; P271-R275 PolarHBondContact O-N 2.88Å; E272-R275 PolarHBondContact O-N 2.9Å; V273-R275 PolarHBondContact O-N 3.37Å; R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-NE 2.71Å; R275-R279 PolarHBondContact O-NH2 3.27Å |
| 276 | R | 96.9 | Very high | 92.5 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -82.5 | -46 | 176 | -172.5 | 64.6 | -174.7 | -125.3 | 13.3 | 111 | E272 V273 N274 R279 L280 A298 A302 | E272-R276 PolarHBondContact O-N 3.36Å; E272-R276 VanDerWaalsContact O-N 3.09Å; V273-R276 WeakPolarHBondContact O-CB 3.3Å; V273-R276 PolarHBondContact O-N 3.07Å; N274-R276 PolarHBondContact O-N 3.17Å; R276-R279 PolarHBondContact O-N 3Å; R276-L280 PolarHBondContact O-N 3.24Å; R276-L280 VanDerWaalsContact O-N 3.1Å; R276-A298 HydrophobicContact CG-CB 3.97Å; R276-A298 WeakPolarHBondContact CG-O 3.2Å; R276-A302 HydrophobicContact CB-CB 4.07Å; R276-A302 HydrophobicContact CG-CB 4.41Å |
| 277 | I | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 174.5 | -63.9 | 158.8 | 0 | 0 | 0 | 110.5 | Y265 V273 N274 R279 L280 I281 V299 A322 V326 | Y265-I277 HydrophobicContact CD1-CB 3.73Å; Y265-I277 HydrophobicContact CD1-CD1 4.1Å; Y265-I277 HydrophobicContact CD1-CG2 3.66Å; Y265-I277 HydrophobicContact CD2-CG2 4.02Å; Y265-I277 HydrophobicContact CE1-CB 4.02Å; Y265-I277 HydrophobicContact CE1-CD1 3.47Å; Y265-I277 VanDerWaalsContact CE1-CD1 3.47Å; Y265-I277 HydrophobicContact CE1-CG1 4.37Å; Y265-I277 HydrophobicContact CE1-CG2 3.98Å; Y265-I277 HydrophobicContact CE2-CG2 4.28Å; Y265-I277 HydrophobicContact CG-CB 4.25Å; Y265-I277 HydrophobicContact CG-CG2 3.7Å; V273-I277 HydrophobicContact CG1-CD1 3.7Å; V273-I277 PolarHBondContact O-N 3.43Å; N274-I277 PolarHBondContact O-N 3.32Å; I277-R279 PolarHBondContact O-N 2.98Å; I277-L280 WeakPolarHBondContact O-CB 3.36Å; I277-L280 PolarHBondContact O-N 3.44Å; I277-I281 HydrophobicContact CG2-CG2 4.24Å; I277-I281 WeakPolarHBondContact O-CG2 3.32Å; I277-I281 PolarHBondContact O-N 3.5Å; I277-I281 VanDerWaalsContact O-N 3.1Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; I277-A322 HydrophobicContact CD1-CB 3.79Å; I277-V326 HydrophobicContact CG2-CG2 3.56Å |
| 278 | E | 96.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -19.9 | 176.8 | -167.1 | -179.2 | -162.5 | 0 | 0 | 113.5 | R262 R266 N274 N282 | R262-E278 IonicContact CZ-OE1 3.75Å; R262-E278 VanDerWaalsContact CZ-OE1 3.24Å; R262-E278 IonicContact NH1-OE1 3.25Å; R262-E278 PolarHBondContact NH1-OE1 2.94Å; R262-E278 IonicContact NH2-OE1 2.69Å; R262-E278 PolarHBondContact NH2-OE1 3.46Å; R262-E278 IonicContact NH2-OE2 3.4Å; R266-E278 IonicContact CZ-OE1 3.02Å; R266-E278 IonicContact CZ-OE2 3.88Å; R266-E278 VanDerWaalsContact NH1-CD 3.32Å; R266-E278 IonicContact NH1-OE1 3.33Å; R266-E278 IonicContact NH1-OE2 3.18Å; R266-E278 PolarHBondContact NH1-OE2 2.91Å; R266-E278 IonicContact NH2-OE1 3.62Å; R266-E278 PolarHBondContact NH2-OE1 3.47Å; R266-E278 IonicContact NH2-OE2 2.8Å; R266-E278 PolarHBondContact NH2-OE2 3.23Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 3.01Å |
| 279 | R | 95.3 | Very high | 90.2 | Very high | 150 Ų | 150 | 70.7 Ų | 70.7 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -92.7 | -26.6 | 170.9 | -77.7 | 178.3 | -69.2 | 145.6 | -3.3 | 113.7 | R275 R276 I277 | R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-NE 2.71Å; R275-R279 PolarHBondContact O-NH2 3.27Å; R276-R279 PolarHBondContact O-N 3Å; I277-R279 PolarHBondContact O-N 2.98Å |
| 280 | L | 95.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 175.8 | 174.7 | 60.9 | 0 | 0 | 0 | 111.1 | R276 I277 N282 T288 P290 D294 V295 A298 | R276-L280 PolarHBondContact O-N 3.24Å; R276-L280 VanDerWaalsContact O-N 3.1Å; I277-L280 WeakPolarHBondContact O-CB 3.36Å; I277-L280 PolarHBondContact O-N 3.44Å; L280-N282 VanDerWaalsContact C-N 3.33Å; L280-N282 PolarHBondContact O-N 3.48Å; L280-T288 VanDerWaalsContact O-CG2 3.24Å; L280-T288 WeakPolarHBondContact O-CG2 3.31Å; L280-P290 HydrophobicContact CD1-CB 4.25Å; L280-P290 HydrophobicContact CD2-CB 3.86Å; L280-P290 HydrophobicContact CD2-CG 4.24Å; L280-P290 HydrophobicContact CG-CB 4Å; L280-P290 HydrophobicContact CG-CG 4.25Å; L280-D294 HydrophobicContact CD2-CB 4.24Å; L280-V295 HydrophobicContact CD2-CG2 4.16Å; L280-A298 HydrophobicContact CD2-CB 4.02Å |
| 281 | I | 95.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8 | -172.8 | 73.1 | -176 | 0 | 0 | 0 | 114.2 | I263 I277 P290 V326 L330 R333 | I263-I281 HydrophobicContact CB-CD1 4.01Å; I263-I281 HydrophobicContact CG2-CD1 3.85Å; I277-I281 HydrophobicContact CG2-CG2 4.24Å; I277-I281 WeakPolarHBondContact O-CG2 3.32Å; I277-I281 PolarHBondContact O-N 3.5Å; I277-I281 VanDerWaalsContact O-N 3.1Å; I281-P290 HydrophobicContact CG2-CG 4.34Å; I281-V326 HydrophobicContact CB-CG1 4.39Å; I281-V326 HydrophobicContact CD1-CG2 4.29Å; I281-V326 HydrophobicContact CG2-CB 4.29Å; I281-V326 HydrophobicContact CG2-CG1 3.37Å; I281-V326 HydrophobicContact CG2-CG2 3.88Å; I281-L330 HydrophobicContact CB-CD2 4.49Å; I281-R333 PolarHBondContact O-NH2 3.42Å |
| 282 | N | 94.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 31.2 | -179 | -60.9 | -63.2 | 0 | 0 | 0 | 111.6 | R262 I263 E278 L280 R333 | R262-N282 WeakPolarHBondContact CA-OD1 3.03Å; R262-N282 HydrophobicContact CG-CB 4.23Å; I263-N282 PolarHBondContact N-OD1 3.46Å; I263-N282 PolarHBondContact O-ND2 3.15Å; E278-N282 PolarHBondContact O-ND2 3.01Å; L280-N282 VanDerWaalsContact C-N 3.33Å; L280-N282 PolarHBondContact O-N 3.48Å; N282-R333 PolarHBondContact OD1-NH1 3.2Å |
| 283 | K | 89.9 | Confident | 90.2 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | trans | -63.2 | 146.5 | 162 | -61.4 | 171.8 | -174.4 | 166.1 | 0 | 108.6 | G285 T288 | K283-G285 PolarHBondContact O-N 3.12Å; K283-T288 HydrophobicContact CB-CG2 3.81Å; K283-T288 HydrophobicContact CD-CG2 4.26Å; K283-T288 HydrophobicContact CG-CG2 4.26Å; K283-T288 PolarHBondContact O-OG1 3.42Å | ||
| 284 | P | 79.3 | Confident | 90.2 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 87% | 0.87 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -70.6 | 125.1 | 168.4 | 29.6 | -32.5 | 0 | 0 | 0 | 109.7 | ||
| 285 | G | 70.6 | Confident | 90.2 | Very high | 53 Ų | 53 | 66.9 Ų | 66.9 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 146.8 | 138.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K283 D287 T288 | K283-G285 PolarHBondContact O-N 3.12Å; G285-D287 VanDerWaalsContact C-N 3.29Å; G285-D287 PolarHBondContact O-N 2.78Å; G285-T288 PolarHBondContact O-OG1 3.03Å |
| 286 | L | 64.1 | Low | 90.2 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 63% | 0.628 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -37.5 | -177.5 | -74.4 | 161.6 | 0 | 0 | 0 | 111.9 | I259 T288 | I259-L286 HydrophobicContact CD1-CD2 4.16Å; L286-T288 PolarHBondContact O-N 3.46Å |
| 287 | D | 70.4 | Confident | 90.3 | Very high | 155 Ų | 155 | 62.5 Ų | 62.5 | 83% | 0.829 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 21.9 | -172.9 | -45 | -71 | 0 | 0 | 0 | 113.5 | G285 F289 | G285-D287 VanDerWaalsContact C-N 3.29Å; G285-D287 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact O-N 2.66Å |
| 288 | T | 76.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | trans | -79.6 | 64.5 | 179.9 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | L280 K283 G285 L286 | L280-T288 VanDerWaalsContact O-CG2 3.24Å; L280-T288 WeakPolarHBondContact O-CG2 3.31Å; K283-T288 HydrophobicContact CB-CG2 3.81Å; K283-T288 HydrophobicContact CD-CG2 4.26Å; K283-T288 HydrophobicContact CG-CG2 4.26Å; K283-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 PolarHBondContact O-OG1 3.03Å; L286-T288 PolarHBondContact O-N 3.46Å | ||
| 289 | F | 92.8 | Very high | 90.3 | Very high | 113 Ų | 113 | 62.3 Ų | 62.3 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | trans | -115.6 | 104.1 | 167.6 | -159.8 | -75 | 0 | 0 | 0 | 109.2 | D287 L330 | D287-F289 PolarHBondContact O-N 2.66Å; F289-L330 HydrophobicContact CD2-CB 3.86Å; F289-L330 HydrophobicContact CD2-CD1 4.01Å; F289-L330 HydrophobicContact CE2-CB 3.62Å; F289-L330 HydrophobicContact CE2-CD1 4.18Å; F289-L330 HydrophobicContact CG-CD1 4.4Å | ||
| 290 | P | 95.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | trans | -75 | 147.4 | -178.1 | 31.5 | -33.6 | 0 | 0 | 0 | 111.4 | L280 I281 D294 V295 V326 L330 | L280-P290 HydrophobicContact CD1-CB 4.25Å; L280-P290 HydrophobicContact CD2-CB 3.86Å; L280-P290 HydrophobicContact CD2-CG 4.24Å; L280-P290 HydrophobicContact CG-CB 4Å; L280-P290 HydrophobicContact CG-CG 4.25Å; I281-P290 HydrophobicContact CG2-CG 4.34Å; P290-D294 HydrophobicContact CB-CB 3.64Å; P290-V295 HydrophobicContact CB-CG2 4.34Å; P290-V295 HydrophobicContact CG-CG2 4.26Å; P290-V326 HydrophobicContact CG-CG1 4.17Å; P290-L330 HydrophobicContact CG-CD1 4.32Å | ||
| 291 | D | 96.1 | Very high | 90.5 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -80.9 | 179.8 | 166.1 | 71.5 | 29.6 | 0 | 0 | 0 | 112.1 | G293 D294 V295 F323 | D291-G293 VanDerWaalsContact C-N 3.33Å; D291-G293 PolarHBondContact O-N 3.16Å; D291-G293 WeakPolarHBondContact OD1-CA 3.37Å; D291-G293 PolarHBondContact OD1-N 3.43Å; D291-D294 WeakPolarHBondContact O-CB 3.44Å; D291-D294 PolarHBondContact O-N 2.95Å; D291-D294 PolarHBondContact OD1-N 3.48Å; D291-V295 PolarHBondContact O-N 2.85Å; D291-F323 VanDerWaalsContact C-CE2 3.49Å | ||
| 292 | Y | 98 | Very high | 90.6 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.3 | 167.3 | -107.8 | 0 | 0 | 0 | 112.8 | V295 L296 A319 Q320 F323 | Y292-V295 PolarHBondContact O-N 2.97Å; Y292-L296 HydrophobicContact CE1-CD2 4.21Å; Y292-L296 WeakPolarHBondContact O-CB 3.4Å; Y292-L296 PolarHBondContact O-N 3.21Å; Y292-A319 HydrophobicContact CE2-CB 3.97Å; Y292-Q320 HydrophobicContact CE2-CB 4.11Å; Y292-F323 HydrophobicContact CD2-CB 4.26Å; Y292-F323 HydrophobicContact CD2-CD1 4.45Å; Y292-F323 HydrophobicContact CD2-CG 4.4Å |
| 293 | G | 97.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D291 R297 | D291-G293 VanDerWaalsContact C-N 3.33Å; D291-G293 PolarHBondContact O-N 3.16Å; D291-G293 WeakPolarHBondContact OD1-CA 3.37Å; D291-G293 PolarHBondContact OD1-N 3.43Å; G293-R297 VanDerWaalsContact C-NH1 3.28Å; G293-R297 WeakPolarHBondContact O-CB 3.36Å; G293-R297 PolarHBondContact O-N 2.84Å; G293-R297 PolarHBondContact O-NH1 3.02Å |
| 294 | D | 96.8 | Very high | 91 | Very high | 35 Ų | 35 | 60.3 Ų | 60.3 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 170.9 | -99 | 17.1 | 0 | 0 | 0 | 112.2 | L280 P290 D291 R297 A298 | L280-D294 HydrophobicContact CD2-CB 4.24Å; P290-D294 HydrophobicContact CB-CB 3.64Å; D291-D294 WeakPolarHBondContact O-CB 3.44Å; D291-D294 PolarHBondContact O-N 2.95Å; D291-D294 PolarHBondContact OD1-N 3.48Å; D294-R297 VanDerWaalsContact CA-NH1 3.28Å; D294-R297 IonicContact OD1-CZ 3.24Å; D294-R297 IonicContact OD1-NH1 2.88Å; D294-R297 PolarHBondContact OD1-NH1 3.4Å; D294-R297 IonicContact OD1-NH2 3.57Å; D294-R297 PolarHBondContact OD1-NH2 2.95Å; D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.38Å; D294-A298 PolarHBondContact O-N 3.03Å |
| 295 | V | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70 | -43.8 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L280 P290 D291 Y292 A298 V299 A319 A322 F323 | L280-V295 HydrophobicContact CD2-CG2 4.16Å; P290-V295 HydrophobicContact CB-CG2 4.34Å; P290-V295 HydrophobicContact CG-CG2 4.26Å; D291-V295 PolarHBondContact O-N 2.85Å; Y292-V295 PolarHBondContact O-N 2.97Å; V295-A298 WeakPolarHBondContact O-CB 3.45Å; V295-A298 PolarHBondContact O-N 2.84Å; V295-V299 HydrophobicContact CG1-CG2 4.48Å; V295-V299 WeakPolarHBondContact O-CG2 3.43Å; V295-V299 PolarHBondContact O-N 3.12Å; V295-A319 HydrophobicContact CG1-CB 4.45Å; V295-A319 WeakPolarHBondContact CG1-O 3.48Å; V295-A322 HydrophobicContact CG1-CB 3.71Å; V295-F323 HydrophobicContact CB-CB 4.16Å; V295-F323 HydrophobicContact CG1-CB 4.2Å; V295-F323 HydrophobicContact CG2-CB 4.16Å; V295-F323 HydrophobicContact CG2-CD2 4.07Å |
| 296 | L | 98.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -50.8 | 174.8 | 179.1 | 61 | 0 | 0 | 0 | 111.4 | Y292 A298 V299 E300 Q316 A319 | Y292-L296 HydrophobicContact CE1-CD2 4.21Å; Y292-L296 WeakPolarHBondContact O-CB 3.4Å; Y292-L296 PolarHBondContact O-N 3.21Å; L296-A298 PolarHBondContact O-N 3.37Å; L296-V299 PolarHBondContact O-N 3.06Å; L296-E300 HydrophobicContact CD1-CG 4.01Å; L296-E300 HydrophobicContact CG-CG 4.34Å; L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 WeakPolarHBondContact O-CG 3.42Å; L296-E300 PolarHBondContact O-N 3.34Å; L296-Q316 HydrophobicContact CD1-CG 4.15Å; L296-A319 HydrophobicContact CB-CB 3.88Å; L296-A319 HydrophobicContact CD1-CB 3.71Å; L296-A319 HydrophobicContact CG-CB 4.42Å |
| 297 | R | 97.9 | Very high | 94.6 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -24.4 | 177.5 | -166.2 | 159.7 | 83.2 | -86.9 | 4.8 | 112.4 | G293 D294 K301 | G293-R297 VanDerWaalsContact C-NH1 3.28Å; G293-R297 WeakPolarHBondContact O-CB 3.36Å; G293-R297 PolarHBondContact O-N 2.84Å; G293-R297 PolarHBondContact O-NH1 3.02Å; D294-R297 VanDerWaalsContact CA-NH1 3.28Å; D294-R297 IonicContact OD1-CZ 3.24Å; D294-R297 IonicContact OD1-NH1 2.88Å; D294-R297 PolarHBondContact OD1-NH1 3.4Å; D294-R297 IonicContact OD1-NH2 3.57Å; D294-R297 PolarHBondContact OD1-NH2 2.95Å; R297-K301 HydrophobicContact CG-CD 4.2Å; R297-K301 WeakPolarHBondContact O-CB 3.39Å; R297-K301 WeakPolarHBondContact O-CG 3.49Å; R297-K301 PolarHBondContact O-N 3.25Å |
| 298 | A | 97.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.6 | -40 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R276 L280 D294 V295 L296 A302 | R276-A298 HydrophobicContact CG-CB 3.97Å; R276-A298 WeakPolarHBondContact CG-O 3.2Å; L280-A298 HydrophobicContact CD2-CB 4.02Å; D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.38Å; D294-A298 PolarHBondContact O-N 3.03Å; V295-A298 WeakPolarHBondContact O-CB 3.45Å; V295-A298 PolarHBondContact O-N 2.84Å; L296-A298 PolarHBondContact O-N 3.37Å; A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 3.21Å |
| 299 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -50.1 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V273 I277 V295 L296 A302 A303 L315 L318 A319 | V273-V299 HydrophobicContact CG1-CB 4.37Å; V273-V299 HydrophobicContact CG1-CG1 4.33Å; V273-V299 HydrophobicContact CG1-CG2 3.82Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; V295-V299 HydrophobicContact CG1-CG2 4.48Å; V295-V299 WeakPolarHBondContact O-CG2 3.43Å; V295-V299 PolarHBondContact O-N 3.12Å; L296-V299 PolarHBondContact O-N 3.06Å; V299-A302 PolarHBondContact O-N 3.42Å; V299-A302 VanDerWaalsContact O-N 3.15Å; V299-A303 WeakPolarHBondContact O-CB 3.38Å; V299-A303 PolarHBondContact O-N 3.33Å; V299-L315 HydrophobicContact CG1-CB 4.44Å; V299-L315 HydrophobicContact CG1-CD2 3.77Å; V299-L318 HydrophobicContact CG1-CB 4.31Å; V299-A319 HydrophobicContact CB-CB 4.41Å; V299-A319 HydrophobicContact CG2-CB 4.12Å |
| 300 | E | 97.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 178 | -69.3 | 176 | 150.3 | 0 | 0 | 111.6 | L296 A302 A303 T304 R312 L315 | L296-E300 HydrophobicContact CD1-CG 4.01Å; L296-E300 HydrophobicContact CG-CG 4.34Å; L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 WeakPolarHBondContact O-CG 3.42Å; L296-E300 PolarHBondContact O-N 3.34Å; E300-A302 PolarHBondContact O-N 3.08Å; E300-A302 VanDerWaalsContact O-N 3.14Å; E300-A303 PolarHBondContact O-N 2.7Å; E300-A303 VanDerWaalsContact O-N 3.09Å; E300-T304 PolarHBondContact O-N 3.44Å; E300-T304 PolarHBondContact O-OG1 3.31Å; E300-T304 VanDerWaalsContact O-OG1 3.1Å; E300-R312 IonicContact OE1-NH1 2.7Å; E300-R312 PolarHBondContact OE1-NH1 2.69Å; E300-L315 HydrophobicContact CG-CB 4.46Å; E300-L315 HydrophobicContact CG-CD1 4.33Å |
| 301 | K | 97.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.2 | -7.6 | 177.6 | -67.6 | -178.6 | 179.6 | -171.5 | 0 | 114.4 | R297 R305 | R297-K301 HydrophobicContact CG-CD 4.2Å; R297-K301 WeakPolarHBondContact O-CB 3.39Å; R297-K301 WeakPolarHBondContact O-CG 3.49Å; R297-K301 PolarHBondContact O-N 3.25Å; K301-R305 WeakPolarHBondContact O-CB 3.46Å |
| 302 | A | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -92 | -42.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V273 R276 A298 V299 E300 H306 | V273-A302 HydrophobicContact CB-CB 4.35Å; V273-A302 HydrophobicContact CG2-CB 3.87Å; R276-A302 HydrophobicContact CB-CB 4.07Å; R276-A302 HydrophobicContact CG-CB 4.41Å; A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 3.21Å; V299-A302 PolarHBondContact O-N 3.42Å; V299-A302 VanDerWaalsContact O-N 3.15Å; E300-A302 PolarHBondContact O-N 3.08Å; E300-A302 VanDerWaalsContact O-N 3.14Å; A302-H306 WeakPolarHBondContact O-CB 3.41Å; A302-H306 PolarHBondContact O-CD2 3.3Å; A302-H306 PolarHBondContact O-N 3.42Å; A302-H306 VanDerWaalsContact O-N 3.1Å |
| 303 | A | 96.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 67 Ų | 67 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V299 E300 S307 L308 L310 L315 | V299-A303 WeakPolarHBondContact O-CB 3.38Å; V299-A303 PolarHBondContact O-N 3.33Å; E300-A303 PolarHBondContact O-N 2.7Å; E300-A303 VanDerWaalsContact O-N 3.09Å; A303-S307 WeakPolarHBondContact O-CA 3.03Å; A303-S307 PolarHBondContact O-N 3.01Å; A303-L308 HydrophobicContact CB-CB 4.31Å; A303-L308 HydrophobicContact CB-CD1 4.32Å; A303-L308 PolarHBondContact O-N 3.2Å; A303-L310 HydrophobicContact CB-CD1 4.37Å; A303-L315 HydrophobicContact CB-CD2 3.46Å; A303-L315 VanDerWaalsContact CB-CD2 3.46Å |
| 304 | T | 96.5 | Very high | 96.4 | Very high | 101 Ų | 101 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -51.8 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | E300 H306 S307 | E300-T304 PolarHBondContact O-N 3.44Å; E300-T304 PolarHBondContact O-OG1 3.31Å; E300-T304 VanDerWaalsContact O-OG1 3.1Å; T304-H306 PolarHBondContact O-N 3.25Å; T304-H306 VanDerWaalsContact O-N 3.16Å; T304-S307 PolarHBondContact O-N 2.71Å |
| 305 | R | 97.1 | Very high | 96.4 | Very high | 191 Ų | 191 | 68.1 Ų | 68.1 | 72% | 0.721 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.3 | -179.9 | 179.2 | 175.8 | 174.7 | 127.8 | 3.1 | 113.9 | K301 | K301-R305 WeakPolarHBondContact O-CB 3.46Š|
| 306 | H | 96.4 | Very high | 96.4 | Very high | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.426 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 14.5 | -179.9 | -66 | -84.6 | 0 | 0 | 0 | 113.1 | E272 A302 T304 L308 | E272-H306 HydrophobicContact CB-CB 4.33Å; E272-H306 HydrophobicContact CG-CB 3.98Å; A302-H306 WeakPolarHBondContact O-CB 3.41Å; A302-H306 PolarHBondContact O-CD2 3.3Å; A302-H306 PolarHBondContact O-N 3.42Å; A302-H306 VanDerWaalsContact O-N 3.1Å; T304-H306 PolarHBondContact O-N 3.25Å; T304-H306 VanDerWaalsContact O-N 3.16Å; H306-L308 HydrophobicContact CB-CD2 4.11Å; H306-L308 HydrophobicContact CB-CG 4.14Å; H306-L308 PolarHBondContact O-N 2.83Å; H306-L308 VanDerWaalsContact O-N 3.14Å |
| 307 | S | 95.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 74.9 Ų | 74.9 | 76% | 0.755 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 40.2 | 174.3 | -51.5 | 0 | 0 | 0 | 0 | 114.3 | A303 T304 G309 | A303-S307 WeakPolarHBondContact O-CA 3.03Å; A303-S307 PolarHBondContact O-N 3.01Å; T304-S307 PolarHBondContact O-N 2.71Å; S307-G309 PolarHBondContact O-N 3.38Å; S307-G309 VanDerWaalsContact O-N 3.09Å |
| 308 | L | 93.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | trans | -70.5 | -5.8 | -170.6 | -61.5 | -176.2 | 0 | 0 | 0 | 114.6 | Y270 V273 A303 H306 L310 | Y270-L308 HydrophobicContact CD1-CD1 3.8Å; Y270-L308 HydrophobicContact CD1-CD2 4.18Å; Y270-L308 HydrophobicContact CE1-CD1 4.4Å; Y270-L308 HydrophobicContact CG-CD1 3.98Å; V273-L308 HydrophobicContact CG2-CD1 3.96Å; A303-L308 HydrophobicContact CB-CB 4.31Å; A303-L308 HydrophobicContact CB-CD1 4.32Å; A303-L308 PolarHBondContact O-N 3.2Å; H306-L308 HydrophobicContact CB-CD2 4.11Å; H306-L308 HydrophobicContact CB-CG 4.14Å; H306-L308 PolarHBondContact O-N 2.83Å; H306-L308 VanDerWaalsContact O-N 3.14Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L308-L310 HydrophobicContact CB-CD2 4.46Å; L308-L310 HydrophobicContact CB-CG 3.87Å; L308-L310 HydrophobicContact CD1-CD1 4.36Å; L308-L310 WeakPolarHBondContact O-CD2 3.04Å; L308-L310 PolarHBondContact O-N 3.27Å | ||
| 309 | G | 92.8 | Very high | 96.3 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | trans | 65 | 21.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S307 | S307-G309 PolarHBondContact O-N 3.38Å; S307-G309 VanDerWaalsContact O-N 3.09Å | ||
| 310 | L | 93.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 75.2 Ų | 75.2 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | trans | -84.7 | 131.4 | -173 | -51.4 | -179.3 | 0 | 0 | 0 | 111.4 | Y270 A303 L308 L315 L318 | Y270-L310 HydrophobicContact CD2-CD1 4.24Å; Y270-L310 HydrophobicContact CE1-CD2 4.48Å; Y270-L310 HydrophobicContact CE2-CD1 3.84Å; Y270-L310 HydrophobicContact CE2-CD2 4.12Å; Y270-L310 VanDerWaalsContact OH-CD2 3.31Å; Y270-L310 WeakPolarHBondContact OH-CD2 3.33Å; A303-L310 HydrophobicContact CB-CD1 4.37Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L308-L310 HydrophobicContact CB-CD2 4.46Å; L308-L310 HydrophobicContact CB-CG 3.87Å; L308-L310 HydrophobicContact CD1-CD1 4.36Å; L308-L310 WeakPolarHBondContact O-CD2 3.04Å; L308-L310 PolarHBondContact O-N 3.27Å; L310-L315 HydrophobicContact CB-CD1 4.48Å; L310-L315 HydrophobicContact CB-CD2 3.8Å; L310-L315 HydrophobicContact CB-CG 3.92Å; L310-L315 HydrophobicContact CD1-CD2 3.83Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; L310-L318 HydrophobicContact CD1-CD1 3.94Å | ||
| 311 | P | 95.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 77 Ų | 77 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | trans | -70.8 | 152.3 | 175.3 | 29.5 | -34.5 | 0 | 0 | 0 | 111.4 | Q313 Q314 L315 | P311-Q313 VanDerWaalsContact C-N 3.3Å; P311-Q313 PolarHBondContact O-N 2.96Å; P311-Q314 HydrophobicContact CG-CB 3.91Å; P311-Q314 WeakPolarHBondContact O-CA 3.35Å; P311-Q314 WeakPolarHBondContact O-CB 3.29Å; P311-Q314 PolarHBondContact O-N 3.34Å; P311-L315 PolarHBondContact O-N 2.92Å | ||
| 312 | R | 95.9 | Very high | 96.4 | Very high | 157 Ų | 157 | 71.7 Ų | 71.7 | 59% | 0.592 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -50.6 | -43.1 | -175.9 | -179.2 | 166.1 | 168.5 | 77.2 | -11.6 | 114 | E300 Q314 L315 Q316 | E300-R312 IonicContact OE1-NH1 2.7Å; E300-R312 PolarHBondContact OE1-NH1 2.69Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 2.78Å; R312-L315 WeakPolarHBondContact O-CB 3.46Å; R312-L315 PolarHBondContact O-N 3.07Å; R312-Q316 WeakPolarHBondContact O-CG 3.24Å; R312-Q316 PolarHBondContact O-N 3.38Å |
| 313 | Q | 96.8 | Very high | 96.5 | Very high | 152 Ų | 152 | 74.7 Ų | 74.7 | 71% | 0.71 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.3 | -38.5 | 176.1 | -67.7 | 176.1 | -10.3 | 0 | 0 | 112.9 | P311 Q316 L317 | P311-Q313 VanDerWaalsContact C-N 3.3Å; P311-Q313 PolarHBondContact O-N 2.96Å; Q313-Q316 PolarHBondContact O-N 3.45Å; Q313-L317 WeakPolarHBondContact O-CG 3.2Å; Q313-L317 PolarHBondContact O-N 3.38Å |
| 314 | Q | 96.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 81.5 Ų | 81.5 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74 | -32.3 | 176.9 | -178.3 | 159.3 | 73.9 | 0 | 0 | 112 | P311 R312 L318 | P311-Q314 HydrophobicContact CG-CB 3.91Å; P311-Q314 WeakPolarHBondContact O-CA 3.35Å; P311-Q314 WeakPolarHBondContact O-CB 3.29Å; P311-Q314 PolarHBondContact O-N 3.34Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 2.78Å; Q314-L318 HydrophobicContact CG-CD1 4.09Å; Q314-L318 HydrophobicContact CG-CG 4.49Å; Q314-L318 VanDerWaalsContact O-CB 3.32Å; Q314-L318 WeakPolarHBondContact O-CB 3.39Å; Q314-L318 WeakPolarHBondContact O-CD1 3.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.35Å; Q314-L318 PolarHBondContact O-N 3.02Å |
| 315 | L | 96.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 78.9 Ų | 78.9 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 172 | -66.7 | 167.3 | 0 | 0 | 0 | 111.4 | V299 E300 A303 L310 P311 R312 A319 | V299-L315 HydrophobicContact CG1-CB 4.44Å; V299-L315 HydrophobicContact CG1-CD2 3.77Å; E300-L315 HydrophobicContact CG-CB 4.46Å; E300-L315 HydrophobicContact CG-CD1 4.33Å; A303-L315 HydrophobicContact CB-CD2 3.46Å; A303-L315 VanDerWaalsContact CB-CD2 3.46Å; L310-L315 HydrophobicContact CB-CD1 4.48Å; L310-L315 HydrophobicContact CB-CD2 3.8Å; L310-L315 HydrophobicContact CB-CG 3.92Å; L310-L315 HydrophobicContact CD1-CD2 3.83Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; P311-L315 PolarHBondContact O-N 2.92Å; R312-L315 WeakPolarHBondContact O-CB 3.46Å; R312-L315 PolarHBondContact O-N 3.07Å; L315-A319 VanDerWaalsContact O-CB 3.29Å; L315-A319 WeakPolarHBondContact O-CB 3.2Å; L315-A319 PolarHBondContact O-N 3.38Å |
| 316 | Q | 97.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175.8 | -72.1 | 168.2 | -38.2 | 0 | 0 | 112.2 | L296 R312 Q313 L318 A319 Q320 | L296-Q316 HydrophobicContact CD1-CG 4.15Å; R312-Q316 WeakPolarHBondContact O-CG 3.24Å; R312-Q316 PolarHBondContact O-N 3.38Å; Q313-Q316 PolarHBondContact O-N 3.45Å; Q316-L318 PolarHBondContact O-N 3.39Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.01Å; Q316-A319 VanDerWaalsContact O-N 3.16Å; Q316-Q320 WeakPolarHBondContact O-CB 3.34Å; Q316-Q320 PolarHBondContact O-N 3.42Å |
| 317 | L | 97.4 | Very high | 96.5 | Very high | 104 Ų | 104 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.9 | -70.5 | 170 | 0 | 0 | 0 | 112.1 | Q313 A319 Q320 D321 | Q313-L317 WeakPolarHBondContact O-CG 3.2Å; Q313-L317 PolarHBondContact O-N 3.38Å; L317-A319 VanDerWaalsContact C-N 3.26Å; L317-A319 PolarHBondContact O-N 3.22Å; L317-Q320 PolarHBondContact O-N 2.97Å; L317-D321 PolarHBondContact O-N 3.3Å; L317-D321 VanDerWaalsContact O-N 3.09Å |
| 318 | L | 96.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 175 | -75.9 | 169.3 | 0 | 0 | 0 | 112.4 | T268 Y270 V299 L310 Q314 Q316 A322 | T268-L318 HydrophobicContact CG2-CD2 4.11Å; Y270-L318 HydrophobicContact CD2-CD1 4.29Å; Y270-L318 HydrophobicContact CE2-CD1 4.17Å; V299-L318 HydrophobicContact CG1-CB 4.31Å; L310-L318 HydrophobicContact CD1-CD1 3.94Å; Q314-L318 HydrophobicContact CG-CD1 4.09Å; Q314-L318 HydrophobicContact CG-CG 4.49Å; Q314-L318 VanDerWaalsContact O-CB 3.32Å; Q314-L318 WeakPolarHBondContact O-CB 3.39Å; Q314-L318 WeakPolarHBondContact O-CD1 3.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.35Å; Q314-L318 PolarHBondContact O-N 3.02Å; Q316-L318 PolarHBondContact O-N 3.39Å; L318-A322 WeakPolarHBondContact O-CB 3.37Å; L318-A322 PolarHBondContact O-N 3.22Å; L318-A322 VanDerWaalsContact O-N 3.1Å |
| 319 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.4 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y292 V295 L296 V299 L315 Q316 L317 A322 F323 | Y292-A319 HydrophobicContact CE2-CB 3.97Å; V295-A319 HydrophobicContact CG1-CB 4.45Å; V295-A319 WeakPolarHBondContact CG1-O 3.48Å; L296-A319 HydrophobicContact CB-CB 3.88Å; L296-A319 HydrophobicContact CD1-CB 3.71Å; L296-A319 HydrophobicContact CG-CB 4.42Å; V299-A319 HydrophobicContact CB-CB 4.41Å; V299-A319 HydrophobicContact CG2-CB 4.12Å; L315-A319 VanDerWaalsContact O-CB 3.29Å; L315-A319 WeakPolarHBondContact O-CB 3.2Å; L315-A319 PolarHBondContact O-N 3.38Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.01Å; Q316-A319 VanDerWaalsContact O-N 3.16Å; L317-A319 VanDerWaalsContact C-N 3.26Å; L317-A319 PolarHBondContact O-N 3.22Å; A319-A322 PolarHBondContact O-N 3.13Å; A319-F323 WeakPolarHBondContact O-CB 2.94Å; A319-F323 PolarHBondContact O-N 2.98Å |
| 320 | Q | 98.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | -179.3 | -167.5 | 177.3 | 23.6 | 0 | 0 | 111.3 | Y292 Q316 L317 F323 R324 | Y292-Q320 HydrophobicContact CE2-CB 4.11Å; Q316-Q320 WeakPolarHBondContact O-CB 3.34Å; Q316-Q320 PolarHBondContact O-N 3.42Å; L317-Q320 PolarHBondContact O-N 2.97Å; Q320-F323 PolarHBondContact O-N 3.45Å; Q320-R324 PolarHBondContact O-N 2.98Å |
| 321 | D | 97.9 | Very high | 97 | Very high | 89 Ų | 89 | 66.8 Ų | 66.8 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -36 | 175.6 | -72.9 | -27.4 | 0 | 0 | 0 | 112.3 | L317 R324 D325 | L317-D321 PolarHBondContact O-N 3.3Å; L317-D321 VanDerWaalsContact O-N 3.09Å; D321-R324 PolarHBondContact O-N 3.21Å; D321-R324 IonicContact OD1-CZ 2.6Å; D321-R324 IonicContact OD1-NE 3.77Å; D321-R324 IonicContact OD1-NH2 2.66Å; D321-R324 PolarHBondContact OD1-NH2 3.38Å; D321-D325 WeakPolarHBondContact O-CB 3.47Å; D321-D325 PolarHBondContact O-N 3.41Å |
| 322 | A | 98 | Very high | 97 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y265 I277 V295 L318 A319 V326 | Y265-A322 WeakPolarHBondContact OH-CA 3.04Å; Y265-A322 VanDerWaalsContact OH-CB 3.27Å; Y265-A322 WeakPolarHBondContact OH-CB 3.5Å; I277-A322 HydrophobicContact CD1-CB 3.79Å; V295-A322 HydrophobicContact CG1-CB 3.71Å; L318-A322 WeakPolarHBondContact O-CB 3.37Å; L318-A322 PolarHBondContact O-N 3.22Å; L318-A322 VanDerWaalsContact O-N 3.1Å; A319-A322 PolarHBondContact O-N 3.13Å; A322-V326 WeakPolarHBondContact O-CB 3.47Å; A322-V326 WeakPolarHBondContact O-CG2 3.23Å; A322-V326 PolarHBondContact O-N 2.81Å |
| 323 | F | 98.4 | Very high | 97 | Very high | 67 Ų | 67 | 62 Ų | 62 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 178.2 | 171.3 | -110.3 | 0 | 0 | 0 | 111.1 | D291 Y292 V295 A319 Q320 V326 G327 | D291-F323 VanDerWaalsContact C-CE2 3.49Å; Y292-F323 HydrophobicContact CD2-CB 4.26Å; Y292-F323 HydrophobicContact CD2-CD1 4.45Å; Y292-F323 HydrophobicContact CD2-CG 4.4Å; V295-F323 HydrophobicContact CB-CB 4.16Å; V295-F323 HydrophobicContact CG1-CB 4.2Å; V295-F323 HydrophobicContact CG2-CB 4.16Å; V295-F323 HydrophobicContact CG2-CD2 4.07Å; A319-F323 WeakPolarHBondContact O-CB 2.94Å; A319-F323 PolarHBondContact O-N 2.98Å; Q320-F323 PolarHBondContact O-N 3.45Å; F323-V326 PolarHBondContact O-N 2.85Å; F323-G327 PolarHBondContact O-N 2.93Å |
| 324 | R | 98.1 | Very high | 96.9 | Very high | 150 Ų | 150 | 62.7 Ų | 62.7 | 57% | 0.566 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.1 | -53.3 | 175.7 | -154.6 | -162.6 | -40.4 | -103.7 | 4.1 | 112 | Q320 D321 V326 G327 V328 | Q320-R324 PolarHBondContact O-N 2.98Å; D321-R324 PolarHBondContact O-N 3.21Å; D321-R324 IonicContact OD1-CZ 2.6Å; D321-R324 IonicContact OD1-NE 3.77Å; D321-R324 IonicContact OD1-NH2 2.66Å; D321-R324 PolarHBondContact OD1-NH2 3.38Å; R324-V326 VanDerWaalsContact C-N 3.34Å; R324-V326 PolarHBondContact O-N 3.26Å; R324-G327 PolarHBondContact O-N 2.6Å; R324-V328 WeakPolarHBondContact O-CG2 3.34Å; R324-V328 PolarHBondContact O-N 2.83Å |
| 325 | D | 97.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | -179.6 | -179.1 | 40.2 | 0 | 0 | 0 | 112.6 | Y265 D321 R329 | Y265-D325 HydrophobicContact CE2-CB 4.33Å; Y265-D325 WeakPolarHBondContact CE2-OD2 3.47Å; D321-D325 WeakPolarHBondContact O-CB 3.47Å; D321-D325 PolarHBondContact O-N 3.41Å; D325-R329 WeakPolarHBondContact O-CD 3.39Å; D325-R329 WeakPolarHBondContact O-CG 3.11Å; D325-R329 PolarHBondContact O-N 3.47Å; D325-R329 PolarHBondContact O-NE 2.83Å; D325-R329 IonicContact OD1-CZ 3.72Å; D325-R329 IonicContact OD1-NE 3.77Å; D325-R329 PolarHBondContact OD1-NE 3.16Å; D325-R329 IonicContact OD1-NH2 3.64Å; D325-R329 PolarHBondContact OD1-NH2 3.35Å; D325-R329 IonicContact OD2-CZ 2.73Å; D325-R329 IonicContact OD2-NE 2.72Å; D325-R329 IonicContact OD2-NH2 3.24Å; D325-R329 PolarHBondContact OD2-NH2 3.13Å |
| 326 | V | 96.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -46.1 | 174 | 158.9 | 0 | 0 | 0 | 0 | 112.1 | Y265 I277 I281 P290 A322 F323 R324 V328 R329 L330 | Y265-V326 HydrophobicContact CD2-CG2 3.72Å; Y265-V326 HydrophobicContact CE2-CG2 3.91Å; I277-V326 HydrophobicContact CG2-CG2 3.56Å; I281-V326 HydrophobicContact CB-CG1 4.39Å; I281-V326 HydrophobicContact CD1-CG2 4.29Å; I281-V326 HydrophobicContact CG2-CB 4.29Å; I281-V326 HydrophobicContact CG2-CG1 3.37Å; I281-V326 HydrophobicContact CG2-CG2 3.88Å; P290-V326 HydrophobicContact CG-CG1 4.17Å; A322-V326 WeakPolarHBondContact O-CB 3.47Å; A322-V326 WeakPolarHBondContact O-CG2 3.23Å; A322-V326 PolarHBondContact O-N 2.81Å; F323-V326 PolarHBondContact O-N 2.85Å; R324-V326 VanDerWaalsContact C-N 3.34Å; R324-V326 PolarHBondContact O-N 3.26Å; V326-V328 PolarHBondContact O-N 3.49Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-L330 HydrophobicContact CG1-CD1 3.54Å; V326-L330 HydrophobicContact CG1-CG 4.22Å; V326-L330 WeakPolarHBondContact O-CB 3.37Å; V326-L330 WeakPolarHBondContact O-CG 3.36Å; V326-L330 PolarHBondContact O-N 2.91Å |
| 327 | G | 96.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 12% | 0.124 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F323 R324 L330 Q331 | F323-G327 PolarHBondContact O-N 2.93Å; R324-G327 PolarHBondContact O-N 2.6Å; G327-L330 PolarHBondContact O-N 2.9Å; G327-Q331 WeakPolarHBondContact O-CB 3.44Å; G327-Q331 PolarHBondContact O-N 3.01Å |
| 328 | V | 97 | Very high | 96.7 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | R324 V326 L330 Q331 E332 | R324-V328 WeakPolarHBondContact O-CG2 3.34Å; R324-V328 PolarHBondContact O-N 2.83Å; V326-V328 PolarHBondContact O-N 3.49Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 2.79Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 3.27Å; V328-Q331 VanDerWaalsContact O-N 3.1Å; V328-E332 HydrophobicContact CG1-CG 4.22Å; V328-E332 WeakPolarHBondContact O-CB 3.45Å; V328-E332 WeakPolarHBondContact O-CG 3.24Å; V328-E332 PolarHBondContact O-N 2.66Å |
| 329 | R | 96.3 | Very high | 96.7 | Very high | 75 Ų | 75 | 64 Ų | 64 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | -179.6 | -64.6 | 169.8 | -162.3 | -142.5 | -1.7 | 113.4 | I263 P264 D325 V326 R333 | I263-R329 HydrophobicContact CD1-CB 4.23Å; I263-R329 HydrophobicContact CG2-CB 4.05Å; P264-R329 PolarHBondContact O-NH1 3.05Å; D325-R329 WeakPolarHBondContact O-CD 3.39Å; D325-R329 WeakPolarHBondContact O-CG 3.11Å; D325-R329 PolarHBondContact O-N 3.47Å; D325-R329 PolarHBondContact O-NE 2.83Å; D325-R329 IonicContact OD1-CZ 3.72Å; D325-R329 IonicContact OD1-NE 3.77Å; D325-R329 PolarHBondContact OD1-NE 3.16Å; D325-R329 IonicContact OD1-NH2 3.64Å; D325-R329 PolarHBondContact OD1-NH2 3.35Å; D325-R329 IonicContact OD2-CZ 2.73Å; D325-R329 IonicContact OD2-NE 2.72Å; D325-R329 IonicContact OD2-NH2 3.24Å; D325-R329 PolarHBondContact OD2-NH2 3.13Å; V326-R329 PolarHBondContact O-N 2.9Å; R329-R333 VanDerWaalsContact O-CB 3.3Å; R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 PolarHBondContact O-N 3.35Å |
| 330 | L | 95.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.8 | -40.8 | 175.1 | -75.3 | 171.5 | 0 | 0 | 0 | 111.7 | I263 I281 F289 P290 V326 G327 V328 R334 | I263-L330 HydrophobicContact CD1-CD2 3.73Å; I263-L330 HydrophobicContact CD1-CG 4.21Å; I281-L330 HydrophobicContact CB-CD2 4.49Å; F289-L330 HydrophobicContact CD2-CB 3.86Å; F289-L330 HydrophobicContact CD2-CD1 4.01Å; F289-L330 HydrophobicContact CE2-CB 3.62Å; F289-L330 HydrophobicContact CE2-CD1 4.18Å; F289-L330 HydrophobicContact CG-CD1 4.4Å; P290-L330 HydrophobicContact CG-CD1 4.32Å; V326-L330 HydrophobicContact CG1-CD1 3.54Å; V326-L330 HydrophobicContact CG1-CG 4.22Å; V326-L330 WeakPolarHBondContact O-CB 3.37Å; V326-L330 WeakPolarHBondContact O-CG 3.36Å; V326-L330 PolarHBondContact O-N 2.91Å; G327-L330 PolarHBondContact O-N 2.9Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 2.79Å; L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 PolarHBondContact O-N 3.33Å |
| 331 | Q | 96 | Very high | 96.5 | Very high | 114 Ų | 114 | 71.4 Ų | 71.4 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 174.5 | -173.5 | -177.7 | 19.7 | 0 | 0 | 111.1 | G327 V328 R334 H335 | G327-Q331 WeakPolarHBondContact O-CB 3.44Å; G327-Q331 PolarHBondContact O-N 3.01Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 3.27Å; V328-Q331 VanDerWaalsContact O-N 3.1Å; Q331-R334 PolarHBondContact O-N 3.45Å; Q331-H335 WeakPolarHBondContact O-CB 3.2Å; Q331-H335 PolarHBondContact O-N 3.03Å |
| 332 | E | 96.3 | Very high | 96.4 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56 | -51.6 | 173.1 | -72.7 | 173.3 | 163.2 | 0 | 0 | 111.3 | V328 R334 H335 L336 | V328-E332 HydrophobicContact CG1-CG 4.22Å; V328-E332 WeakPolarHBondContact O-CB 3.45Å; V328-E332 WeakPolarHBondContact O-CG 3.24Å; V328-E332 PolarHBondContact O-N 2.66Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 2.9Å; E332-H335 PolarHBondContact O-N 2.93Å; E332-L336 WeakPolarHBondContact O-CB 3.44Å; E332-L336 WeakPolarHBondContact O-CG 3.25Å; E332-L336 PolarHBondContact O-N 2.98Å |
| 333 | R | 95.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 74.4 Ų | 74.4 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 177.9 | -172.8 | 178.6 | 65.8 | -177.4 | -4.6 | 111.6 | V258 Q261 I263 I281 N282 R329 D337 | V258-R333 HydrophobicContact CG1-CG 3.94Å; V258-R333 WeakPolarHBondContact O-CD 3.41Å; V258-R333 VanDerWaalsContact O-CG 3.31Å; V258-R333 WeakPolarHBondContact O-CG 3.35Å; Q261-R333 WeakPolarHBondContact O-CD 3.42Å; Q261-R333 PolarHBondContact O-NH1 3.11Å; I263-R333 HydrophobicContact CD1-CB 4.19Å; I281-R333 PolarHBondContact O-NH2 3.42Å; N282-R333 PolarHBondContact OD1-NH1 3.2Å; R329-R333 VanDerWaalsContact O-CB 3.3Å; R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 PolarHBondContact O-N 3.35Å; R333-D337 VanDerWaalsContact O-CB 3.27Å; R333-D337 WeakPolarHBondContact O-CB 3.44Å; R333-D337 PolarHBondContact O-N 3.04Å |
| 334 | R | 94.3 | Very high | 96.2 | Very high | 167 Ų | 167 | 72.6 Ų | 72.6 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 177.9 | -172 | -179.1 | 69.2 | 157.9 | 1.1 | 112.4 | L330 Q331 E332 D337 L338 | L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 PolarHBondContact O-N 3.33Å; Q331-R334 PolarHBondContact O-N 3.45Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 2.9Å; R334-D337 PolarHBondContact O-N 3.06Å; R334-L338 PolarHBondContact O-N 3.45Å |
| 335 | H | 96.2 | Very high | 96.2 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 176.8 | 169.5 | 73.2 | 0 | 0 | 0 | 111.5 | Q331 E332 D337 L338 I339 P729 | Q331-H335 WeakPolarHBondContact O-CB 3.2Å; Q331-H335 PolarHBondContact O-N 3.03Å; E332-H335 PolarHBondContact O-N 2.93Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.03Å; H335-L338 WeakPolarHBondContact O-CB 3.44Å; H335-L338 PolarHBondContact O-N 3.4Å; H335-L338 VanDerWaalsContact O-N 3.16Å; H335-I339 PolarHBondContact O-N 2.99Å; H335-P729 PolarHBondContact CE1-O 3.25Å |
| 336 | L | 97 | Very high | 96.2 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 173 | -69.8 | 176.5 | 0 | 0 | 0 | 111.8 | V258 E332 L338 I339 Y340 | V258-L336 HydrophobicContact CG1-CB 3.85Å; E332-L336 WeakPolarHBondContact O-CB 3.44Å; E332-L336 WeakPolarHBondContact O-CG 3.25Å; E332-L336 PolarHBondContact O-N 2.98Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.1Å; L336-I339 HydrophobicContact CD2-CD1 4.04Å; L336-I339 PolarHBondContact O-N 3.09Å; L336-Y340 HydrophobicContact CB-CD2 4.36Å; L336-Y340 HydrophobicContact CB-CE2 4.13Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 WeakPolarHBondContact O-CD2 3.42Å; L336-Y340 PolarHBondContact O-N 3.27Å; L336-Y340 VanDerWaalsContact O-N 3.15Å |
| 337 | D | 95.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.059 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 175.7 | -165.1 | 80.7 | 0 | 0 | 0 | 112.7 | R257 V258 I259 R333 R334 H335 N341 | R257-D337 WeakPolarHBondContact CB-OD1 3.36Å; R257-D337 IonicContact CZ-OD2 2.66Å; R257-D337 VanDerWaalsContact CZ-OD2 3.27Å; R257-D337 IonicContact NE-OD1 2.73Å; R257-D337 PolarHBondContact NE-OD1 3.07Å; R257-D337 IonicContact NE-OD2 3.33Å; R257-D337 PolarHBondContact NE-OD2 3.48Å; R257-D337 IonicContact NH2-OD2 3.02Å; R257-D337 PolarHBondContact NH2-OD2 2.85Å; V258-D337 HydrophobicContact CB-CB 3.99Å; V258-D337 PolarHBondContact N-OD1 2.88Å; I259-D337 HydrophobicContact CB-CB 4.24Å; I259-D337 PolarHBondContact N-OD1 2.97Å; R333-D337 VanDerWaalsContact O-CB 3.27Å; R333-D337 WeakPolarHBondContact O-CB 3.44Å; R333-D337 PolarHBondContact O-N 3.04Å; R334-D337 PolarHBondContact O-N 3.06Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.03Å; D337-N341 WeakPolarHBondContact O-CB 3.43Å; D337-N341 PolarHBondContact O-N 2.85Å; D337-N341 PolarHBondContact O-ND2 3.34Å |
| 338 | L | 95.8 | Very high | 96.3 | Very high | 102 Ų | 102 | 78.7 Ų | 78.7 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -60 | 171.3 | 177.9 | 62.5 | 0 | 0 | 0 | 111 | R334 H335 L336 Y340 N341 F342 | R334-L338 PolarHBondContact O-N 3.45Å; H335-L338 WeakPolarHBondContact O-CB 3.44Å; H335-L338 PolarHBondContact O-N 3.4Å; H335-L338 VanDerWaalsContact O-N 3.16Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.1Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.21Å; L338-N341 CarbonylContact O-C 3.46Å; L338-N341 PolarHBondContact O-N 3.1Å; L338-F342 HydrophobicContact CD1-CD2 3.99Å; L338-F342 WeakPolarHBondContact O-CB 3.45Å; L338-F342 PolarHBondContact O-N 2.73Å |
| 339 | I | 96.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 81.2 Ų | 81.2 | 30% | 0.303 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -29.8 | -170.6 | 69.3 | -179.8 | 0 | 0 | 0 | 113.4 | H335 L336 P729 | H335-I339 PolarHBondContact O-N 2.99Å; L336-I339 HydrophobicContact CD2-CD1 4.04Å; L336-I339 PolarHBondContact O-N 3.09Å; I339-P729 HydrophobicContact CG2-CB 3.75Å |
| 340 | Y | 96.3 | Very high | 96.3 | Very high | 159 Ų | 159 | 83.2 Ų | 83.2 | 62% | 0.624 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10 | 176.5 | -63.9 | -45.8 | 0 | 0 | 0 | 114.6 | V258 L336 L338 | V258-Y340 HydrophobicContact CG2-CD2 3.67Å; V258-Y340 HydrophobicContact CG2-CE2 4.1Å; L336-Y340 HydrophobicContact CB-CD2 4.36Å; L336-Y340 HydrophobicContact CB-CE2 4.13Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 WeakPolarHBondContact O-CD2 3.42Å; L336-Y340 PolarHBondContact O-N 3.27Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.21Å |
| 341 | N | 95.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 90 Ų | 90 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -129.2 | 19.3 | -178.3 | -57 | -93.5 | 0 | 0 | 0 | 112.2 | D337 L338 | D337-N341 WeakPolarHBondContact O-CB 3.43Å; D337-N341 PolarHBondContact O-N 2.85Å; D337-N341 PolarHBondContact O-ND2 3.34Å; L338-N341 CarbonylContact O-C 3.46Å; L338-N341 PolarHBondContact O-N 3.1Å |
| 342 | F | 96.1 | Very high | 96.3 | Very high | 106 Ų | 106 | 87.2 Ų | 87.2 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | trans | -84.1 | 146.1 | -178.2 | -175.9 | -102.7 | 0 | 0 | 0 | 112.1 | L338 | L338-F342 HydrophobicContact CD1-CD2 3.99Å; L338-F342 WeakPolarHBondContact O-CB 3.45Å; L338-F342 PolarHBondContact O-N 2.73Å | ||
| 343 | G | 96.2 | Very high | 96.3 | Very high | 47 Ų | 47 | 85.4 Ų | 85.4 | 49% | 0.485 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 73.1 | -143.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T347 | G343-T347 WeakPolarHBondContact CA-OG1 3.5Š|
| 344 | C | 96.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 89.2 Ų | 89.2 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | trans | -158.2 | -168.7 | -177.9 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | L346 T347 D348 | C344-L346 PolarHBondContact O-N 2.93Å; C344-T347 PolarHBondContact N-OG1 3.23Å; C344-T347 PolarHBondContact O-N 3.22Å; C344-T347 PolarHBondContact O-OG1 2.8Å; C344-D348 PolarHBondContact O-N 3.22Å; C344-D348 VanDerWaalsContact O-N 3.07Å | ||
| 345 | H | 97.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 84.3 Ų | 84.3 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.3 | 178.8 | 63.6 | -70 | 0 | 0 | 0 | 114.8 | E213 T347 D348 | E213-H345 IonicContact OE1-CD2 3.61Å; E213-H345 IonicContact OE1-CE1 3.56Å; E213-H345 IonicContact OE1-NE2 2.67Å; E213-H345 PolarHBondContact OE1-NE2 3.19Å; H345-T347 VanDerWaalsContact C-N 3.35Å; H345-D348 WeakPolarHBondContact CA-OD2 3.28Å |
| 346 | L | 97.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 84.8 Ų | 84.8 | 55% | 0.55 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.5 | 172.5 | -55.3 | 178.8 | 0 | 0 | 0 | 112.7 | E213 C344 | E213-L346 HydrophobicContact CG-CD1 4.38Å; E213-L346 HydrophobicContact CG-CD2 4.15Å; C344-L346 PolarHBondContact O-N 2.93Å |
| 347 | T | 97.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 82.2 Ų | 82.2 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -13.5 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | G343 C344 H345 D349 Y350 | G343-T347 WeakPolarHBondContact CA-OG1 3.5Å; C344-T347 PolarHBondContact N-OG1 3.23Å; C344-T347 PolarHBondContact O-N 3.22Å; C344-T347 PolarHBondContact O-OG1 2.8Å; H345-T347 VanDerWaalsContact C-N 3.35Å; T347-D349 PolarHBondContact O-N 3.38Å; T347-Y350 WeakPolarHBondContact O-CB 3.46Å; T347-Y350 PolarHBondContact O-N 2.94Å |
| 348 | D | 96.4 | Very high | 96.8 | Very high | 124 Ų | 124 | 87.4 Ų | 87.4 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.1 | -179.5 | -75.2 | -13.8 | 0 | 0 | 0 | 114.1 | C344 H345 | C344-D348 PolarHBondContact O-N 3.22Å; C344-D348 VanDerWaalsContact O-N 3.07Å; H345-D348 WeakPolarHBondContact CA-OD2 3.28Å |
| 349 | D | 96.8 | Very high | 96.8 | Very high | 121 Ų | 121 | 87.7 Ų | 87.7 | 65% | 0.647 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.6 | 179.3 | -107.6 | -47.2 | 0 | 0 | 0 | 114.3 | T347 R351 | T347-D349 PolarHBondContact O-N 3.38Å; D349-R351 IonicContact OD1-CZ 3.07Å; D349-R351 IonicContact OD1-NH2 3Å; D349-R351 PolarHBondContact OD1-NH2 3.3Å |
| 350 | Y | 96.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 88 Ų | 88 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | trans | -56.9 | 137.7 | 178.5 | 169 | -93 | 0 | 0 | 0 | 112.6 | T347 P352 D728 | T347-Y350 WeakPolarHBondContact O-CB 3.46Å; T347-Y350 PolarHBondContact O-N 2.94Å; Y350-P352 HydrophobicContact CE1-CG 3.84Å; Y350-D728 PolarHBondContact OH-OD2 2.81Å | ||
| 351 | R | 96.7 | Very high | 97 | Very high | 150 Ų | 150 | 84.8 Ų | 84.8 | 57% | 0.566 | 48% | 0.484 | S | S | * | . | trans | -147.3 | 124.9 | 177.3 | -60.9 | 174.2 | -155.9 | -177.8 | 6.6 | 109 | D349 G353 V354 | D349-R351 IonicContact OD1-CZ 3.07Å; D349-R351 IonicContact OD1-NH2 3Å; D349-R351 PolarHBondContact OD1-NH2 3.3Å; R351-G353 PolarHBondContact O-N 2.94Å; R351-G353 VanDerWaalsContact O-N 3.15Å; R351-V354 HydrophobicContact CB-CG2 3.94Å; R351-V354 PolarHBondContact O-N 2.75Å | ||
| 352 | P | 95.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 84 Ų | 84 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -54 | -37.8 | -179.4 | -27.9 | 33.4 | 0 | 0 | 0 | 113.7 | Y350 V354 D355 | Y350-P352 HydrophobicContact CE1-CG 3.84Å; P352-V354 PolarHBondContact O-N 2.67Å; P352-D355 WeakPolarHBondContact O-CB 3.46Å; P352-D355 PolarHBondContact O-N 2.89Å |
| 353 | G | 96.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 81.8 Ų | 81.8 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -70.6 | 9.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R351 | R351-G353 PolarHBondContact O-N 2.94Å; R351-G353 VanDerWaalsContact O-N 3.15Å |
| 354 | V | 96.9 | Very high | 97.4 | Very high | 111 Ų | 111 | 80.8 Ų | 80.8 | 67% | 0.673 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -117.8 | 4.9 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | R351 P352 | R351-V354 HydrophobicContact CB-CG2 3.94Å; R351-V354 PolarHBondContact O-N 2.75Å; P352-V354 PolarHBondContact O-N 2.67Å |
| 355 | D | 97.3 | Very high | 97.5 | Very high | 65 Ų | 65 | 85.2 Ų | 85.2 | 35% | 0.348 | 48% | 0.475 | S | S | . | . | trans | -57.5 | 122.5 | 173.3 | 167.2 | 25.4 | 0 | 0 | 0 | 111.6 | P352 A357 L358 | P352-D355 WeakPolarHBondContact O-CB 3.46Å; P352-D355 PolarHBondContact O-N 2.89Å; D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.42Å; D355-A357 PolarHBondContact OD1-N 3.38Å; D355-A357 WeakPolarHBondContact OD2-CB 3.42Å; D355-L358 HydrophobicContact CB-CD1 4.17Å; D355-L358 HydrophobicContact CB-CG 4.06Å; D355-L358 WeakPolarHBondContact O-CB 3.23Å; D355-L358 PolarHBondContact O-N 3.44Å; D355-L358 VanDerWaalsContact O-N 3.09Å | ||
| 356 | P | 98.1 | Very high | 97.5 | Very high | 85 Ų | 85 | 90.8 Ų | 90.8 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -61.4 | -23.5 | 178.1 | 25.6 | -35.2 | 0 | 0 | 0 | 113.7 | L358 S359 D360 L363 | P356-L358 PolarHBondContact O-N 2.98Å; P356-S359 PolarHBondContact O-N 3.38Å; P356-D360 PolarHBondContact O-N 3.19Å; P356-L363 HydrophobicContact CB-CD2 4.21Å; P356-L363 HydrophobicContact CG-CD2 4.06Å |
| 357 | A | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 89.4 Ų | 89.4 | 8% | 0.083 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -69.2 | -17.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | D355 S359 L363 A364 L367 | D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.42Å; D355-A357 PolarHBondContact OD1-N 3.38Å; D355-A357 WeakPolarHBondContact OD2-CB 3.42Å; A357-S359 PolarHBondContact O-N 2.85Å; A357-L363 HydrophobicContact CB-CB 4.48Å; A357-L363 HydrophobicContact CB-CD2 3.93Å; A357-L363 HydrophobicContact CB-CG 3.85Å; A357-A364 HydrophobicContact CB-CB 4.42Å; A357-A364 WeakPolarHBondContact O-CB 3.4Å; A357-L367 HydrophobicContact CB-CD1 3.63Å |
| 358 | L | 97.6 | Very high | 97.6 | Very high | 120 Ų | 120 | 94.4 Ų | 94.4 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -68.1 | -20.7 | 169.1 | -58.9 | 175.7 | 0 | 0 | 0 | 112.4 | D355 P356 | D355-L358 HydrophobicContact CB-CD1 4.17Å; D355-L358 HydrophobicContact CB-CG 4.06Å; D355-L358 WeakPolarHBondContact O-CB 3.23Å; D355-L358 PolarHBondContact O-N 3.44Å; D355-L358 VanDerWaalsContact O-N 3.09Å; P356-L358 PolarHBondContact O-N 2.98Å |
| 359 | S | 97.8 | Very high | 97.7 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -35.1 | -179 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | P356 A357 P361 | P356-S359 PolarHBondContact O-N 3.38Å; A357-S359 PolarHBondContact O-N 2.85Å; S359-P361 WeakPolarHBondContact O-CD 3.46Å |
| 360 | D | 98.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 91.5 Ų | 91.5 | 35% | 0.348 | 48% | 0.48 | S | S | . | . | trans | -97.8 | 108.2 | 174.8 | 176.6 | 23 | 0 | 0 | 0 | 112.4 | P356 T362 L363 A364 | P356-D360 PolarHBondContact O-N 3.19Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CA 3.45Å; D360-T362 WeakPolarHBondContact OD1-CB 3.42Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.05Å; D360-L363 HydrophobicContact CB-CB 4Å; D360-L363 PolarHBondContact O-N 2.66Å; D360-L363 WeakPolarHBondContact OD2-CB 3.49Å; D360-L363 PolarHBondContact OD2-N 3.07Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 2.75Å | ||
| 361 | P | 98.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 90.4 Ų | 90.4 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68 | -15.6 | 176.9 | 30.1 | -36.2 | 0 | 0 | 0 | 113.6 | S359 R365 | S359-P361 WeakPolarHBondContact O-CD 3.46Å; P361-R365 WeakPolarHBondContact O-CB 3.47Å; P361-R365 PolarHBondContact O-N 2.99Å |
| 362 | T | 98.6 | Very high | 98 | Very high | 74 Ų | 74 | 87.2 Ų | 87.2 | 45% | 0.454 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.7 | -50.6 | 175.4 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | D360 R365 R366 | D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CA 3.45Å; D360-T362 WeakPolarHBondContact OD1-CB 3.42Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.05Å; T362-R365 PolarHBondContact O-N 3.43Å; T362-R366 PolarHBondContact O-N 3.22Å |
| 363 | L | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 88.8 Ų | 88.8 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56 | -49 | 168.3 | -179.3 | 59 | 0 | 0 | 0 | 111 | P356 A357 D360 R365 R366 L367 | P356-L363 HydrophobicContact CB-CD2 4.21Å; P356-L363 HydrophobicContact CG-CD2 4.06Å; A357-L363 HydrophobicContact CB-CB 4.48Å; A357-L363 HydrophobicContact CB-CD2 3.93Å; A357-L363 HydrophobicContact CB-CG 3.85Å; D360-L363 HydrophobicContact CB-CB 4Å; D360-L363 PolarHBondContact O-N 2.66Å; D360-L363 WeakPolarHBondContact OD2-CB 3.49Å; D360-L363 PolarHBondContact OD2-N 3.07Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 2.97Å; L363-R366 PolarHBondContact O-N 2.74Å; L363-R366 VanDerWaalsContact O-N 3.08Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CD2 4.38Å; L363-L367 HydrophobicContact CD1-CG 4.05Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å |
| 364 | A | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 87.6 Ų | 87.6 | 22% | 0.215 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.6 | -31.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A357 D360 R368 | A357-A364 HydrophobicContact CB-CB 4.42Å; A357-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 2.75Å; A364-R368 WeakPolarHBondContact O-CG 3.28Å; A364-R368 PolarHBondContact O-N 3.02Å; A364-R368 PolarHBondContact O-NE 2.86Å |
| 365 | R | 98.6 | Very high | 98.3 | Very high | 122 Ų | 122 | 85.1 Ų | 85.1 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.4 | -48.2 | 173 | -171.8 | -178.6 | 64.7 | -111.9 | 0.2 | 110.8 | P361 T362 L363 L367 R368 E369 | P361-R365 WeakPolarHBondContact O-CB 3.47Å; P361-R365 PolarHBondContact O-N 2.99Å; T362-R365 PolarHBondContact O-N 3.43Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 2.97Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.22Å; R365-R368 PolarHBondContact O-N 3Å; R365-E369 WeakPolarHBondContact CG-OE1 3.37Å; R365-E369 IonicContact NE-OE1 2.71Å; R365-E369 WeakPolarHBondContact O-CG 3.48Å; R365-E369 PolarHBondContact O-N 3.47Å |
| 366 | R | 98.6 | Very high | 98.3 | Very high | 168 Ų | 168 | 86.7 Ų | 86.7 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.4 | -35.5 | 179.2 | -169.9 | 170.9 | -179.2 | 171.2 | -1.1 | 112.8 | T362 L363 E369 N370 | T362-R366 PolarHBondContact O-N 3.22Å; L363-R366 PolarHBondContact O-N 2.74Å; L363-R366 VanDerWaalsContact O-N 3.08Å; R366-E369 PolarHBondContact O-N 2.8Å; R366-N370 WeakPolarHBondContact O-CB 3.29Å; R366-N370 PolarHBondContact O-N 2.92Å; R366-N370 PolarHBondContact O-OD1 3.32Å |
| 367 | L | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 90 Ų | 90 | 40% | 0.398 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 174.5 | -67.8 | -176.5 | 0 | 0 | 0 | 112.3 | A357 L363 R365 N370 R371 | A357-L367 HydrophobicContact CB-CD1 3.63Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CD2 4.38Å; L363-L367 HydrophobicContact CD1-CG 4.05Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.22Å; L367-N370 PolarHBondContact O-N 3.5Å; L367-R371 WeakPolarHBondContact O-CB 3.29Å; L367-R371 PolarHBondContact O-N 3.37Å |
| 368 | R | 98.4 | Very high | 98.4 | Very high | 161 Ų | 161 | 93.6 Ų | 93.6 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 171.4 | -73.8 | 176.4 | -68.7 | 139.3 | -8.2 | 112.6 | A364 R365 R371 T372 | A364-R368 WeakPolarHBondContact O-CG 3.28Å; A364-R368 PolarHBondContact O-N 3.02Å; A364-R368 PolarHBondContact O-NE 2.86Å; R365-R368 PolarHBondContact O-N 3Å; R368-R371 PolarHBondContact O-N 3.36Å; R368-T372 PolarHBondContact O-N 2.9Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 2.8Å |
| 369 | E | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 92.5 Ų | 92.5 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 173 | -68.9 | 161.9 | -173.8 | 0 | 0 | 111 | R365 R366 R371 T372 L373 | R365-E369 WeakPolarHBondContact CG-OE1 3.37Å; R365-E369 IonicContact NE-OE1 2.71Å; R365-E369 WeakPolarHBondContact O-CG 3.48Å; R365-E369 PolarHBondContact O-N 3.47Å; R366-E369 PolarHBondContact O-N 2.8Å; E369-R371 PolarHBondContact O-N 2.77Å; E369-T372 PolarHBondContact O-N 2.86Å; E369-L373 PolarHBondContact O-N 2.87Å; E369-L373 VanDerWaalsContact O-N 3.09Å |
| 370 | N | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 173.9 | -70.6 | -8.6 | 0 | 0 | 0 | 112.1 | R366 L367 L373 A374 | R366-N370 WeakPolarHBondContact O-CB 3.29Å; R366-N370 PolarHBondContact O-N 2.92Å; R366-N370 PolarHBondContact O-OD1 3.32Å; L367-N370 PolarHBondContact O-N 3.5Å; N370-L373 PolarHBondContact O-N 2.79Å; N370-A374 WeakPolarHBondContact O-CB 3.31Å; N370-A374 PolarHBondContact O-N 3.15Å |
| 371 | R | 98.3 | Very high | 98.5 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 179.8 | 177.2 | 57.9 | 178.3 | -163.2 | -4 | 111.7 | L367 R368 E369 L373 A374 M375 E731 | L367-R371 WeakPolarHBondContact O-CB 3.29Å; L367-R371 PolarHBondContact O-N 3.37Å; R368-R371 PolarHBondContact O-N 3.36Å; E369-R371 PolarHBondContact O-N 2.77Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.86Å; R371-A374 PolarHBondContact O-N 2.95Å; R371-M375 WeakPolarHBondContact O-CG 3.04Å; R371-M375 PolarHBondContact O-N 3.2Å; R371-E731 VanDerWaalsContact CZ-CD 3.49Å; R371-E731 IonicContact CZ-OE1 3.03Å; R371-E731 IonicContact CZ-OE2 3.28Å; R371-E731 IonicContact NE-OE1 3.61Å; R371-E731 IonicContact NH1-OE1 2.64Å; R371-E731 IonicContact NH1-OE2 3.66Å; R371-E731 PolarHBondContact NH1-OE2 3.02Å; R371-E731 IonicContact NH2-OE1 2.86Å; R371-E731 PolarHBondContact NH2-OE1 3.08Å; R371-E731 IonicContact NH2-OE2 3.08Å; R371-E731 PolarHBondContact NH2-OE2 3.22Å |
| 372 | T | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 94.6 Ų | 94.6 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | R368 E369 A374 M375 N376 | R368-T372 PolarHBondContact O-N 2.9Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 2.8Å; E369-T372 PolarHBondContact O-N 2.86Å; T372-A374 VanDerWaalsContact C-N 3.34Å; T372-A374 PolarHBondContact O-N 3.49Å; T372-M375 PolarHBondContact O-N 3.38Å; T372-N376 WeakPolarHBondContact O-CB 3.12Å; T372-N376 PolarHBondContact O-N 3.22Å; T372-N376 VanDerWaalsContact O-N 3.09Å; T372-N376 PolarHBondContact O-OD1 3.38Å |
| 373 | L | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175.9 | 179.6 | 61.1 | 0 | 0 | 0 | 112.6 | E369 N370 R371 R377 | E369-L373 PolarHBondContact O-N 2.87Å; E369-L373 VanDerWaalsContact O-N 3.09Å; N370-L373 PolarHBondContact O-N 2.79Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.86Å; L373-R377 HydrophobicContact CD1-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.36Å; L373-R377 WeakPolarHBondContact O-CG 3.43Å; L373-R377 PolarHBondContact O-N 2.98Å |
| 374 | A | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N370 R371 T372 R377 L378 | N370-A374 WeakPolarHBondContact O-CB 3.31Å; N370-A374 PolarHBondContact O-N 3.15Å; R371-A374 PolarHBondContact O-N 2.95Å; T372-A374 VanDerWaalsContact C-N 3.34Å; T372-A374 PolarHBondContact O-N 3.49Å; A374-R377 PolarHBondContact O-N 2.76Å; A374-L378 WeakPolarHBondContact O-CG 3.21Å; A374-L378 PolarHBondContact O-N 3.01Å |
| 375 | M | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 101 Ų | 101 | 29% | 0.286 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 177.8 | -63.1 | -59 | 93 | 0 | 0 | 111.4 | R371 T372 R377 L378 D379 | R371-M375 WeakPolarHBondContact O-CG 3.04Å; R371-M375 PolarHBondContact O-N 3.2Å; T372-M375 PolarHBondContact O-N 3.38Å; M375-R377 VanDerWaalsContact C-N 3.27Å; M375-R377 PolarHBondContact O-N 2.86Å; M375-L378 HydrophobicContact CE-CD1 3.74Å; M375-L378 PolarHBondContact O-N 2.64Å; M375-D379 PolarHBondContact O-N 3.08Å; M375-D379 VanDerWaalsContact O-N 3.08Å |
| 376 | N | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 176.9 | -66.9 | -0.1 | 0 | 0 | 0 | 112.3 | T372 E380 | T372-N376 WeakPolarHBondContact O-CB 3.12Å; T372-N376 PolarHBondContact O-N 3.22Å; T372-N376 VanDerWaalsContact O-N 3.09Å; T372-N376 PolarHBondContact O-OD1 3.38Å; N376-E380 VanDerWaalsContact O-CB 3.3Å; N376-E380 WeakPolarHBondContact O-CB 3.38Å; N376-E380 PolarHBondContact O-N 3.08Å |
| 377 | R | 98.6 | Very high | 98.4 | Very high | 154 Ų | 154 | 94 Ų | 94 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.2 | -34.3 | 176.8 | -80.6 | 179.4 | 171.1 | -165.4 | -1.6 | 113.6 | L373 A374 M375 V381 | L373-R377 HydrophobicContact CD1-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.36Å; L373-R377 WeakPolarHBondContact O-CG 3.43Å; L373-R377 PolarHBondContact O-N 2.98Å; A374-R377 PolarHBondContact O-N 2.76Å; M375-R377 VanDerWaalsContact C-N 3.27Å; M375-R377 PolarHBondContact O-N 2.86Å; R377-V381 VanDerWaalsContact O-CG2 3.31Å; R377-V381 WeakPolarHBondContact O-CG2 3.29Å; R377-V381 PolarHBondContact O-N 3.21Å; R377-V381 VanDerWaalsContact O-N 3.14Å |
| 378 | L | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 94.9 Ų | 94.9 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 173.9 | -69 | 177.4 | 0 | 0 | 0 | 110.3 | A374 M375 V381 I382 | A374-L378 WeakPolarHBondContact O-CG 3.21Å; A374-L378 PolarHBondContact O-N 3.01Å; M375-L378 HydrophobicContact CE-CD1 3.74Å; M375-L378 PolarHBondContact O-N 2.64Å; L378-V381 PolarHBondContact O-N 3.18Å; L378-I382 WeakPolarHBondContact O-CD1 3.46Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 3.16Å |
| 379 | D | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 93 Ų | 93 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.2 | 176.7 | 48.3 | 0 | 0 | 0 | 112.3 | M375 V381 I382 S383 | M375-D379 PolarHBondContact O-N 3.08Å; M375-D379 VanDerWaalsContact O-N 3.08Å; D379-V381 VanDerWaalsContact C-N 3.26Å; D379-V381 PolarHBondContact O-N 2.75Å; D379-I382 PolarHBondContact O-N 3.1Å; D379-S383 WeakPolarHBondContact O-CB 3.33Å; D379-S383 PolarHBondContact O-N 3.38Å; D379-S383 PolarHBondContact O-OG 2.98Å; D379-S383 PolarHBondContact OD1-OG 3.32Å; D379-S383 VanDerWaalsContact OD1-OG 3.08Å |
| 380 | E | 98.6 | Very high | 98.2 | Very high | 129 Ų | 129 | 92.7 Ų | 92.7 | 60% | 0.603 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -53.7 | -43.8 | 176.3 | -173.1 | -167.8 | 159.6 | 0 | 0 | 111.6 | N376 K384 | N376-E380 VanDerWaalsContact O-CB 3.3Å; N376-E380 WeakPolarHBondContact O-CB 3.38Å; N376-E380 PolarHBondContact O-N 3.08Å; E380-K384 WeakPolarHBondContact O-CB 3.13Å; E380-K384 PolarHBondContact O-N 2.8Å |
| 381 | V | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 95.3 Ų | 95.3 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | R377 L378 D379 K384 Y385 | R377-V381 VanDerWaalsContact O-CG2 3.31Å; R377-V381 WeakPolarHBondContact O-CG2 3.29Å; R377-V381 PolarHBondContact O-N 3.21Å; R377-V381 VanDerWaalsContact O-N 3.14Å; L378-V381 PolarHBondContact O-N 3.18Å; D379-V381 VanDerWaalsContact C-N 3.26Å; D379-V381 PolarHBondContact O-N 2.75Å; V381-K384 PolarHBondContact O-N 3.14Å; V381-Y385 HydrophobicContact CG1-CD2 3.99Å; V381-Y385 HydrophobicContact CG1-CE2 4.1Å; V381-Y385 VanDerWaalsContact O-CD2 3.31Å; V381-Y385 WeakPolarHBondContact O-CD2 3.28Å; V381-Y385 PolarHBondContact O-N 3.46Å; V381-Y385 VanDerWaalsContact O-N 3.09Å |
| 382 | I | 98.5 | Very high | 98 | Very high | 102 Ų | 102 | 95.3 Ų | 95.3 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -53.7 | 179.4 | -67.9 | 163.9 | 0 | 0 | 0 | 110.1 | L378 D379 K384 Y385 A386 | L378-I382 WeakPolarHBondContact O-CD1 3.46Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 3.16Å; D379-I382 PolarHBondContact O-N 3.1Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.96Å; I382-Y385 PolarHBondContact O-N 2.83Å; I382-Y385 VanDerWaalsContact O-N 3.14Å; I382-A386 PolarHBondContact O-N 3.33Å |
| 383 | S | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 94.5 Ų | 94.5 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 178.5 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | D379 M387 | D379-S383 WeakPolarHBondContact O-CB 3.33Å; D379-S383 PolarHBondContact O-N 3.38Å; D379-S383 PolarHBondContact O-OG 2.98Å; D379-S383 PolarHBondContact OD1-OG 3.32Å; D379-S383 VanDerWaalsContact OD1-OG 3.08Å; S383-M387 VanDerWaalsContact O-CB 3.29Å; S383-M387 WeakPolarHBondContact O-CB 3.37Å; S383-M387 WeakPolarHBondContact O-CE 3.36Å; S383-M387 WeakPolarHBondContact O-CG 3.47Å; S383-M387 PolarHBondContact O-N 2.96Å |
| 384 | K | 98.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 95.5 Ų | 95.5 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.6 | 173 | -175.3 | 174.3 | -172.7 | 0 | 112.5 | E380 V381 I382 M388 | E380-K384 WeakPolarHBondContact O-CB 3.13Å; E380-K384 PolarHBondContact O-N 2.8Å; V381-K384 PolarHBondContact O-N 3.14Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.96Å; K384-M388 HydrophobicContact CG-SD 4.35Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.19Å; K384-M388 VanDerWaalsContact O-N 3.1Å |
| 385 | Y | 98.3 | Very high | 97.1 | Very high | 143 Ų | 143 | 95 Ų | 95 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.2 | -37.9 | -179.6 | -82.8 | -74.8 | 0 | 0 | 0 | 112.4 | V381 I382 M388 Q389 | V381-Y385 HydrophobicContact CG1-CD2 3.99Å; V381-Y385 HydrophobicContact CG1-CE2 4.1Å; V381-Y385 VanDerWaalsContact O-CD2 3.31Å; V381-Y385 WeakPolarHBondContact O-CD2 3.28Å; V381-Y385 PolarHBondContact O-N 3.46Å; V381-Y385 VanDerWaalsContact O-N 3.09Å; I382-Y385 PolarHBondContact O-N 2.83Å; I382-Y385 VanDerWaalsContact O-N 3.14Å; Y385-M388 HydrophobicContact CD1-SD 4.42Å; Y385-M388 HydrophobicContact CE1-CE 4.48Å; Y385-M388 HydrophobicContact CE1-SD 4.48Å; Y385-M388 WeakPolarHBondContact O-CB 3.37Å; Y385-M388 PolarHBondContact O-N 3.09Å; Y385-Q389 PolarHBondContact O-N 3.24Å |
| 386 | A | 98.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 96.6 Ų | 96.6 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.2 | -52.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | I382 M388 Q389 D390 | I382-A386 PolarHBondContact O-N 3.33Å; A386-M388 PolarHBondContact O-N 3.35Å; A386-Q389 WeakPolarHBondContact O-CB 3.43Å; A386-Q389 PolarHBondContact O-N 2.99Å; A386-D390 PolarHBondContact O-N 2.78Å |
| 387 | M | 97.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 47% | 0.468 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -15.8 | 174.8 | -80.3 | -167.5 | -76.7 | 0 | 0 | 115 | S383 K391 | S383-M387 VanDerWaalsContact O-CB 3.29Å; S383-M387 WeakPolarHBondContact O-CB 3.37Å; S383-M387 WeakPolarHBondContact O-CE 3.36Å; S383-M387 WeakPolarHBondContact O-CG 3.47Å; S383-M387 PolarHBondContact O-N 2.96Å; M387-K391 WeakPolarHBondContact O-CD 3.02Å; M387-K391 VanDerWaalsContact O-CE 3.28Å; M387-K391 WeakPolarHBondContact O-CE 3.34Å; M387-K391 VanDerWaalsContact O-CG 3.25Å; M387-K391 WeakPolarHBondContact O-CG 3.41Å; M387-K391 PolarHBondContact O-NZ 3.38Å; M387-K391 VanDerWaalsContact O-NZ 3.15Å |
| 388 | M | 97.4 | Very high | 96 | Very high | 96 Ų | 96 | 96.3 Ų | 96.3 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -86.5 | -36.3 | 172.6 | -79 | 177.1 | 56.9 | 0 | 0 | 111.4 | K384 Y385 A386 T392 | K384-M388 HydrophobicContact CG-SD 4.35Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.19Å; K384-M388 VanDerWaalsContact O-N 3.1Å; Y385-M388 HydrophobicContact CD1-SD 4.42Å; Y385-M388 HydrophobicContact CE1-CE 4.48Å; Y385-M388 HydrophobicContact CE1-SD 4.48Å; Y385-M388 WeakPolarHBondContact O-CB 3.37Å; Y385-M388 PolarHBondContact O-N 3.09Å; A386-M388 PolarHBondContact O-N 3.35Å; M388-T392 WeakPolarHBondContact O-CB 3.31Å; M388-T392 PolarHBondContact O-N 2.99Å; M388-T392 PolarHBondContact O-OG1 3.27Å |
| 389 | Q | 97.3 | Very high | 95.6 | Very high | 120 Ų | 120 | 98.3 Ų | 98.3 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -51.6 | 170 | -179.1 | 176.5 | -24.8 | 0 | 0 | 110.5 | Y385 A386 K391 T392 E393 | Y385-Q389 PolarHBondContact O-N 3.24Å; A386-Q389 WeakPolarHBondContact O-CB 3.43Å; A386-Q389 PolarHBondContact O-N 2.99Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.1Å; Q389-T392 WeakPolarHBondContact O-CA 3.3Å; Q389-T392 WeakPolarHBondContact O-CB 3.3Å; Q389-T392 PolarHBondContact O-N 3.01Å; Q389-E393 HydrophobicContact CG-CG 4.33Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.49Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 PolarHBondContact O-N 3.03Å |
| 390 | D | 96.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.3 | -47.4 | -179.7 | -71.4 | -35.8 | 0 | 0 | 0 | 112.6 | A386 T392 E393 E394 | A386-D390 PolarHBondContact O-N 2.78Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.2Å; D390-E393 PolarHBondContact O-N 3.24Å; D390-E394 WeakPolarHBondContact O-CB 3.46Å; D390-E394 PolarHBondContact O-N 3.02Å |
| 391 | K | 95.9 | Very high | 94.9 | Very high | 133 Ų | 133 | 102.9 Ų | 102.9 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69 | -31.4 | -179.4 | -69.1 | 168 | -165.6 | 138.1 | 0 | 112.5 | M387 Q389 G395 | M387-K391 WeakPolarHBondContact O-CD 3.02Å; M387-K391 VanDerWaalsContact O-CE 3.28Å; M387-K391 WeakPolarHBondContact O-CE 3.34Å; M387-K391 VanDerWaalsContact O-CG 3.25Å; M387-K391 WeakPolarHBondContact O-CG 3.41Å; M387-K391 PolarHBondContact O-NZ 3.38Å; M387-K391 VanDerWaalsContact O-NZ 3.15Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.1Å; K391-G395 PolarHBondContact O-N 3.47Å |
| 392 | T | 95.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 58% | 0.577 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.2 | -46.6 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | M388 Q389 D390 E394 G395 E396 | M388-T392 WeakPolarHBondContact O-CB 3.31Å; M388-T392 PolarHBondContact O-N 2.99Å; M388-T392 PolarHBondContact O-OG1 3.27Å; Q389-T392 WeakPolarHBondContact O-CA 3.3Å; Q389-T392 WeakPolarHBondContact O-CB 3.3Å; Q389-T392 PolarHBondContact O-N 3.01Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.2Å; T392-E394 PolarHBondContact O-N 2.87Å; T392-G395 PolarHBondContact O-N 3Å; T392-E396 PolarHBondContact O-N 3.47Å |
| 393 | E | 94.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 105.4 Ų | 105.4 | 32% | 0.318 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 173.8 | -73.2 | -165 | -137 | 0 | 0 | 112.5 | Q389 D390 E396 R397 | Q389-E393 HydrophobicContact CG-CG 4.33Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.49Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 PolarHBondContact O-N 3.03Å; D390-E393 PolarHBondContact O-N 3.24Å; E393-E396 PolarHBondContact O-N 3.21Å; E393-R397 WeakPolarHBondContact O-CB 3.35Å; E393-R397 WeakPolarHBondContact O-CD 3.41Å; E393-R397 WeakPolarHBondContact O-CG 3.4Å; E393-R397 PolarHBondContact O-N 3.31Å; E393-R397 IonicContact OE2-CZ 3.82Å; E393-R397 IonicContact OE2-NE 2.77Å; E393-R397 IonicContact OE2-NH2 3.63Å; E393-R397 PolarHBondContact OE2-NH2 3.19Å |
| 394 | E | 92.5 | Very high | 92.8 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175.6 | -154.3 | -157.8 | 153.9 | 0 | 0 | 111.1 | D390 T392 E396 R397 Q398 | D390-E394 WeakPolarHBondContact O-CB 3.46Å; D390-E394 PolarHBondContact O-N 3.02Å; T392-E394 PolarHBondContact O-N 2.87Å; E394-E396 VanDerWaalsContact C-N 3.29Å; E394-E396 PolarHBondContact O-N 3.32Å; E394-R397 PolarHBondContact O-N 3.08Å; E394-R397 VanDerWaalsContact O-N 3.16Å; E394-Q398 WeakPolarHBondContact O-CB 3.43Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.38Å; E394-Q398 PolarHBondContact O-N 2.85Å; E394-Q398 PolarHBondContact OE1-NE2 3.45Å |
| 395 | G | 90.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 111.5 Ų | 111.5 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K391 T392 K399 | K391-G395 PolarHBondContact O-N 3.47Å; T392-G395 PolarHBondContact O-N 3Å; G395-K399 VanDerWaalsContact O-CB 3.27Å; G395-K399 WeakPolarHBondContact O-CB 3.4Å; G395-K399 PolarHBondContact O-N 3.05Å |
| 396 | E | 91.8 | Very high | 90.1 | Very high | 91 Ų | 91 | 107.6 Ų | 107.6 | 43% | 0.425 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 171 | -83 | -139 | -169.6 | 0 | 0 | 113.1 | T392 E393 E394 Q398 K399 R400 | T392-E396 PolarHBondContact O-N 3.47Å; E393-E396 PolarHBondContact O-N 3.21Å; E394-E396 VanDerWaalsContact C-N 3.29Å; E394-E396 PolarHBondContact O-N 3.32Å; E396-Q398 VanDerWaalsContact C-N 3.27Å; E396-Q398 PolarHBondContact O-N 3.14Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 VanDerWaalsContact O-N 3.13Å; E396-R400 WeakPolarHBondContact O-CB 3.39Å; E396-R400 VanDerWaalsContact O-CG 3.28Å; E396-R400 WeakPolarHBondContact O-CG 3.19Å; E396-R400 PolarHBondContact O-N 3.09Å; E396-R400 IonicContact OE2-CZ 3.14Å; E396-R400 IonicContact OE2-NE 2.69Å; E396-R400 PolarHBondContact OE2-NE 3.43Å; E396-R400 IonicContact OE2-NH2 2.89Å; E396-R400 PolarHBondContact OE2-NH2 3.39Å |
| 397 | R | 91.7 | Very high | 88.3 | Confident | 141 Ų | 141 | 110.4 Ų | 110.4 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 178.5 | -68.4 | 161 | -168.5 | -155.8 | 6.5 | 110.6 | E393 E394 R401 | E393-R397 WeakPolarHBondContact O-CB 3.35Å; E393-R397 WeakPolarHBondContact O-CD 3.41Å; E393-R397 WeakPolarHBondContact O-CG 3.4Å; E393-R397 PolarHBondContact O-N 3.31Å; E393-R397 IonicContact OE2-CZ 3.82Å; E393-R397 IonicContact OE2-NE 2.77Å; E393-R397 IonicContact OE2-NH2 3.63Å; E393-R397 PolarHBondContact OE2-NH2 3.19Å; E394-R397 PolarHBondContact O-N 3.08Å; E394-R397 VanDerWaalsContact O-N 3.16Å; R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 VanDerWaalsContact O-CG 3.24Å; R397-R401 WeakPolarHBondContact O-CG 3.47Å; R397-R401 PolarHBondContact O-N 2.89Å |
| 398 | Q | 89.1 | Confident | 86 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -44.8 | 172.5 | -69.8 | 178.9 | 19 | 0 | 0 | 111.9 | E394 E396 R401 A402 | E394-Q398 WeakPolarHBondContact O-CB 3.43Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.38Å; E394-Q398 PolarHBondContact O-N 2.85Å; E394-Q398 PolarHBondContact OE1-NE2 3.45Å; E396-Q398 VanDerWaalsContact C-N 3.27Å; E396-Q398 PolarHBondContact O-N 3.14Å; Q398-R401 PolarHBondContact O-N 3.27Å; Q398-A402 WeakPolarHBondContact O-CB 3.34Å; Q398-A402 PolarHBondContact O-N 2.9Å |
| 399 | K | 90.4 | Very high | 83.8 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 176.4 | -175.1 | 179.3 | -179.5 | -177.5 | 0 | 112.7 | G395 E396 A402 R403 | G395-K399 VanDerWaalsContact O-CB 3.27Å; G395-K399 WeakPolarHBondContact O-CB 3.4Å; G395-K399 PolarHBondContact O-N 3.05Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 VanDerWaalsContact O-N 3.13Å; K399-A402 PolarHBondContact O-N 3.29Å; K399-R403 WeakPolarHBondContact O-CG 3.33Å; K399-R403 PolarHBondContact O-N 3.48Å; K399-R403 VanDerWaalsContact O-N 3.11Å |
| 400 | R | 90.9 | Very high | 81.4 | Confident | 154 Ų | 154 | 113.1 Ų | 113.1 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -45.5 | 173.2 | -68.1 | 173.8 | -166 | -143.3 | 8.1 | 110.4 | E396 R403 L404 | E396-R400 WeakPolarHBondContact O-CB 3.39Å; E396-R400 VanDerWaalsContact O-CG 3.28Å; E396-R400 WeakPolarHBondContact O-CG 3.19Å; E396-R400 PolarHBondContact O-N 3.09Å; E396-R400 IonicContact OE2-CZ 3.14Å; E396-R400 IonicContact OE2-NE 2.69Å; E396-R400 PolarHBondContact OE2-NE 3.43Å; E396-R400 IonicContact OE2-NH2 2.89Å; E396-R400 PolarHBondContact OE2-NH2 3.39Å; R400-R403 PolarHBondContact O-N 3.24Å; R400-L404 WeakPolarHBondContact O-CG 3.21Å; R400-L404 PolarHBondContact O-N 3.38Å |
| 401 | R | 90.1 | Very high | 79 | Confident | 168 Ų | 168 | 113.5 Ų | 113.5 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.2 | -44.1 | 173.3 | -74.1 | 168.9 | -179.9 | 177.9 | 0.9 | 112.8 | R397 Q398 R403 L404 L405 | R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 VanDerWaalsContact O-CG 3.24Å; R397-R401 WeakPolarHBondContact O-CG 3.47Å; R397-R401 PolarHBondContact O-N 2.89Å; Q398-R401 PolarHBondContact O-N 3.27Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.01Å; R401-L404 PolarHBondContact O-N 3.09Å; R401-L405 WeakPolarHBondContact O-CD1 3.35Å; R401-L405 PolarHBondContact O-N 2.95Å |
| 402 | A | 85.6 | Confident | 76.3 | Confident | 51 Ų | 51 | 112.6 Ų | 112.6 | 42% | 0.421 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.6 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Q398 K399 T407 | Q398-A402 WeakPolarHBondContact O-CB 3.34Å; Q398-A402 PolarHBondContact O-N 2.9Å; K399-A402 PolarHBondContact O-N 3.29Å; A402-T407 PolarHBondContact O-N 3.07Å |
| 403 | R | 85.8 | Confident | 74 | Confident | 182 Ų | 182 | 115.2 Ų | 115.2 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.4 | -48 | 170.7 | -74.2 | 173.5 | 167.6 | -173.3 | -7.2 | 111.7 | K399 R400 R401 L405 G406 | K399-R403 WeakPolarHBondContact O-CG 3.33Å; K399-R403 PolarHBondContact O-N 3.48Å; K399-R403 VanDerWaalsContact O-N 3.11Å; R400-R403 PolarHBondContact O-N 3.24Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.01Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.37Å; R403-G406 PolarHBondContact O-N 3.32Å; R403-G406 VanDerWaalsContact O-N 3.08Å |
| 404 | L | 79.6 | Confident | 71.6 | Confident | 148 Ų | 148 | 117 Ų | 117 | 78% | 0.775 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.9 | -30.6 | 179.8 | -69.7 | 169.4 | 0 | 0 | 0 | 113.4 | R400 R401 G406 | R400-L404 WeakPolarHBondContact O-CG 3.21Å; R400-L404 PolarHBondContact O-N 3.38Å; R401-L404 PolarHBondContact O-N 3.09Å; L404-G406 PolarHBondContact O-N 3.2Å |
| 405 | L | 77.9 | Confident | 69.3 | Low | 133 Ų | 133 | 118 Ų | 118 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 10.2 | 173.5 | -91.5 | 67.4 | 0 | 0 | 0 | 113.3 | R401 R403 T407 | R401-L405 WeakPolarHBondContact O-CD1 3.35Å; R401-L405 PolarHBondContact O-N 2.95Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.37Å; L405-T407 PolarHBondContact O-N 3.34Å; L405-T407 PolarHBondContact O-OG1 2.93Å |
| 406 | G | 63 | Low | 67 | Low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.9 | 9.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R403 L404 A408 | R403-G406 PolarHBondContact O-N 3.32Å; R403-G406 VanDerWaalsContact O-N 3.08Å; L404-G406 PolarHBondContact O-N 3.2Å; G406-A408 PolarHBondContact O-N 3.18Å |
| 407 | T | 59.3 | Low | 64.5 | Low | 106 Ų | 106 | 126.2 Ų | 126.2 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | trans | -88.6 | 40.9 | -172.6 | -37.9 | 0 | 0 | 0 | 0 | 111.2 | A402 L405 | A402-T407 PolarHBondContact O-N 3.07Å; L405-T407 PolarHBondContact O-N 3.34Å; L405-T407 PolarHBondContact O-OG1 2.93Å | ||
| 408 | A | 50.1 | Low | 61.9 | Low | 76 Ų | 76 | 124.6 Ų | 124.6 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G406 Q410 | G406-A408 PolarHBondContact O-N 3.18Å; A408-Q410 PolarHBondContact O-N 2.86Å |
| 409 | P | 50.9 | Low | 59.5 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 127.2 | 163.1 | -19.8 | 32.3 | 0 | 0 | 0 | 108.4 | ||
| 410 | Q | 47.3 | Very low | 56.7 | Low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 137 | 165.6 | -85 | -76.5 | -21.9 | 0 | 0 | 108.8 | A408 S412 | A408-Q410 PolarHBondContact O-N 2.86Å; Q410-S412 PolarHBondContact O-N 3.46Å |
| 411 | P | 45.9 | Very low | 54.3 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | -60.7 | 105.5 | 167.4 | 26.7 | -32.7 | 0 | 0 | 0 | 107.5 | D413 | P411-D413 PolarHBondContact O-N 3.34Š| ||
| 412 | S | 39.8 | Very low | 51.5 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -73.3 | 96.9 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | Q410 | Q410-S412 PolarHBondContact O-N 3.46Š| ||
| 413 | D | 46.4 | Very low | 49.2 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -48.2 | 142 | 166.1 | -90.1 | -45.1 | 0 | 0 | 0 | 110.4 | P411 | P411-D413 PolarHBondContact O-N 3.34Š| ||
| 414 | P | 45.9 | Very low | 46.6 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 141.2 | -169.8 | 24.3 | -34 | 0 | 0 | 0 | 111.9 | K416 | P414-K416 PolarHBondContact O-N 2.85Š| ||
| 415 | P | 44 | Very low | 45.4 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -70 | 94 | -170.8 | 28.2 | -35.8 | 0 | 0 | 0 | 112.1 | A417 | P415-A417 PolarHBondContact O-N 3.07Š| ||
| 416 | K | 40.8 | Very low | 43.5 | Very low | 205 Ų | 205 | 122.5 Ų | 122.5 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -77.5 | 86.6 | 172 | -161 | 171.3 | -171.3 | 175 | 0 | 109.9 | P414 S418 | P414-K416 PolarHBondContact O-N 2.85Å; K416-S418 PolarHBondContact O-N 3.36Å | ||
| 417 | A | 40.3 | Very low | 42 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 127.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P415 | P415-A417 PolarHBondContact O-N 3.07Š| ||
| 418 | S | 36 | Very low | 40.9 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -81.6 | 149.7 | 151.2 | -59.4 | 0 | 0 | 0 | 0 | 107.8 | K416 | K416-S418 PolarHBondContact O-N 3.36Š| ||
| 419 | S | 38.8 | Very low | 40.1 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | -172.4 | 171.1 | 82.4 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 420 | E | 33.3 | Very low | 39.4 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 83 | 152.3 | -155.3 | 150.7 | -148.5 | 0 | 0 | 119.8 | ||||
| 421 | S | 38.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | 60.7 | 121.5 | 121.7 | -52.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 422 | G | 33.1 | Very low | 37.8 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -179.4 | 68.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 423 | E | 35.7 | Very low | 37.2 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 98% | 0.977 | 80% | 0.795 | S | S | * | * | trans | 54.4 | 173.8 | 161.9 | -63.1 | -172.7 | 97.5 | 0 | 0 | 119.5 | ||||
| 424 | G | 32.7 | Very low | 37.4 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -116.4 | -159.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 425 | P | 54.1 | Low | 36.6 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -133.6 | 179.8 | 12.6 | 42.7 | -26.8 | 0 | 0 | 0 | 116.5 | ||||
| 426 | S | 38 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 126.6 | 165.5 | -162.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 427 | G | 30.9 | Very low | 35.5 | Very low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | cis | 166.5 | 157.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 428 | M | 35 | Very low | 35.3 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | trans | 66.3 | 151.9 | 174.4 | -57.3 | 173 | 67 | 0 | 0 | 115.2 | ||||
| 429 | A | 34.4 | Very low | 35.1 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -175.4 | 167.1 | -18.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 430 | S | 36.2 | Very low | 35.1 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -171.2 | 164.2 | -7 | -108 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 431 | Q | 32.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | cis | -162.6 | 178.8 | -7.1 | 177.5 | 162.1 | -7.9 | 0 | 0 | 109 | ||||
| 432 | E | 27.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -57 | 135.5 | -178.1 | -68.9 | 171.9 | 98 | 0 | 0 | 120.1 | ||||
| 433 | C | 25.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 65.2 | 179.8 | 116.6 | -46.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 434 | P | 52.1 | Low | 36.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -147 | -169.7 | -92.5 | 46.2 | -26.3 | 0 | 0 | 0 | 118.5 | |||||
| 435 | T | 27.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 80.4 | 145.1 | 148.1 | 54.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 436 | T | 28.8 | Very low | 36 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 75.8 | 145.6 | 162 | 67.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 437 | S | 33.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -165.8 | 162.1 | -0.7 | 38.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 438 | K | 36.3 | Very low | 36.5 | Very low | 209 Ų | 209 | 139.1 Ų | 139.1 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 60.8 | 130.6 | 151.1 | -79.1 | -170.1 | 171.8 | -157.7 | 0 | 121.7 | ||||
| 439 | A | 32.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | -168.8 | 170 | 120 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 440 | E | 37.8 | Very low | 37.1 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -130.9 | 157.4 | 179.3 | -66.1 | 164.4 | 177.2 | 0 | 0 | 109.6 | ||||
| 441 | T | 37.3 | Very low | 37.3 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | trans | -167.6 | 143.2 | 155.7 | 1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 442 | D | 42 | Very low | 37.4 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -85.5 | 165.1 | 172.8 | -56.8 | -64.9 | 0 | 0 | 0 | 112.1 | ||||
| 443 | D | 39.8 | Very low | 37.9 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | -175.8 | 100.7 | 115 | -97.5 | -0.8 | 0 | 0 | 0 | 110.8 | |||||
| 444 | D | 43.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 46.7 | 145 | 134.6 | -65.6 | -3.3 | 0 | 0 | 0 | 126.7 | ||||
| 445 | D | 41.7 | Very low | 37.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 79.4 | 101.5 | 144.4 | -63.4 | -1.1 | 0 | 0 | 0 | 125 | ||||
| 446 | D | 43.1 | Very low | 38.3 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | 88.2 | 142.4 | 116.6 | -74.3 | -3.4 | 0 | 0 | 0 | 126.7 | |||||
| 447 | D | 39.1 | Very low | 38.6 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 67.4 | 104.6 | 154 | -68.7 | -2.3 | 0 | 0 | 0 | 124.5 | ||||
| 448 | D | 38.7 | Very low | 38.7 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | 51 | 125.1 | 122.3 | -73 | 3.6 | 0 | 0 | 0 | 124.9 | |||||
| 449 | D | 40.8 | Very low | 38.7 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 51.3 | 130.8 | 139.4 | -76 | -6.2 | 0 | 0 | 0 | 125 | ||||
| 450 | D | 41.3 | Very low | 38.8 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 70.8 | 143.3 | 145.9 | -76.4 | -15.1 | 0 | 0 | 0 | 123.2 | ||||
| 451 | D | 42 | Very low | 38.7 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | 47.4 | 101 | 163.5 | -73.8 | -15 | 0 | 0 | 0 | 120.1 | ||||
| 452 | D | 33.9 | Very low | 38.7 | Very low | 162 Ų | 162 | 152.8 Ų | 152.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -157.7 | 102.2 | 137.5 | -105.4 | -24.5 | 0 | 0 | 0 | 110.8 | ||||
| 453 | E | 39.2 | Very low | 38.3 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 97% | 0.967 | 79% | 0.787 | S | S | * | * | trans | -120.3 | 74.6 | 162.5 | -100.1 | -165.9 | -173.3 | 0 | 0 | 109.2 | ||||
| 454 | D | 40.8 | Very low | 37.9 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -135.6 | 106.7 | 165.2 | -111.1 | -23.8 | 0 | 0 | 0 | 107.6 | ||||
| 455 | N | 33.5 | Very low | 37.6 | Very low | 133 Ų | 133 | 158 Ų | 158 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -166.4 | 146.5 | 130.6 | -134.6 | 39.9 | 0 | 0 | 0 | 115.6 | ||||
| 456 | E | 38.1 | Very low | 37.2 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | -10.5 | 160.5 | 142.5 | -54.7 | 162.2 | 162.1 | 0 | 0 | 118.7 | ||||
| 457 | E | 35.9 | Very low | 36.8 | Very low | 171 Ų | 171 | 161.7 Ų | 161.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -179.4 | -176.6 | -21.8 | -161.1 | 162.5 | -130.6 | 0 | 0 | 106.3 | ||||
| 458 | S | 34.8 | Very low | 36.9 | Very low | 88 Ų | 88 | 164.5 Ų | 164.5 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | trans | 68 | 148.8 | 163.3 | -62.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 459 | E | 36.3 | Very low | 36.6 | Very low | 160 Ų | 160 | 165.4 Ų | 165.4 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | cis | -163.8 | -158 | -18.5 | -124.3 | 147.9 | -104.7 | 0 | 0 | 110.2 | ||||
| 460 | E | 34.3 | Very low | 36.2 | Very low | 186 Ų | 186 | 167.1 Ų | 167.1 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 79.5 | 114.3 | -177.8 | -59.9 | 179 | -161.1 | 0 | 0 | 113.6 | ||||
| 461 | E | 35.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 164.8 Ų | 164.8 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | cis | 57.9 | 144.3 | 17.3 | -52.7 | -168.9 | 170.3 | 0 | 0 | 114 | ||||
| 462 | E | 37 | Very low | 35.5 | Very low | 185 Ų | 185 | 163.4 Ų | 163.4 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | cis | -104.2 | 179.6 | -6.4 | -56.8 | 163.4 | 121.3 | 0 | 0 | 109.5 | ||||
| 463 | E | 34.2 | Very low | 35.6 | Very low | 177 Ų | 177 | 164.4 Ų | 164.4 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | cis | -128.3 | -141.5 | -3.2 | -143.8 | -176.5 | 134.6 | 0 | 0 | 106.7 | ||||
| 464 | E | 31.4 | Very low | 35.5 | Very low | 179 Ų | 179 | 160.9 Ų | 160.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | cis | -140.5 | 164 | 2.5 | -64.1 | 173 | 107.7 | 0 | 0 | 107.4 | ||||
| 465 | E | 37 | Very low | 35.6 | Very low | 190 Ų | 190 | 162.5 Ų | 162.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -125.4 | -160.4 | 175 | -63.8 | -167.8 | 137.5 | 0 | 0 | 113.4 | ||||
| 466 | E | 34 | Very low | 35.8 | Very low | 188 Ų | 188 | 163.4 Ų | 163.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 77.6 | 133.9 | -174 | -54.7 | -165.6 | 167.8 | 0 | 0 | 115.9 | ||||
| 467 | E | 35.4 | Very low | 35.9 | Very low | 160 Ų | 160 | 164.3 Ų | 164.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -127.3 | 129.3 | 4.3 | -64.7 | -175.9 | 105.8 | 0 | 0 | 112.6 | ||||
| 468 | E | 39.3 | Very low | 36.3 | Very low | 198 Ų | 198 | 163.7 Ų | 163.7 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -98.2 | 112.5 | 149.7 | -87.7 | -159.4 | 149.9 | 0 | 0 | 109 | ||||
| 469 | K | 33.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 165 Ų | 165 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -144.6 | 126.8 | 160.1 | -75.2 | -162.4 | -179.9 | 115.3 | 0 | 113.6 | ||||
| 470 | E | 32.7 | Very low | 37 | Very low | 180 Ų | 180 | 166.4 Ų | 166.4 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | 47.5 | 97.2 | 145.2 | -63.7 | 179.4 | -171.5 | 0 | 0 | 119 | ||||
| 471 | A | 32.8 | Very low | 37.3 | Very low | 97 Ų | 97 | 166.5 Ų | 166.5 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -149.8 | 53.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E473 | A471-E473 PolarHBondContact O-N 3.47Š| ||
| 472 | T | 34.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 166.3 Ų | 166.3 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 89.7 | 161 | 48 | 0 | 0 | 0 | 0 | 108 | ||||
| 473 | E | 35.9 | Very low | 37.5 | Very low | 182 Ų | 182 | 166.6 Ų | 166.6 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -90.9 | 116.2 | 166.9 | -68.1 | -171 | 150.9 | 0 | 0 | 108.9 | A471 E475 | A471-E473 PolarHBondContact O-N 3.47Å; E473-E475 PolarHBondContact O-N 3.33Å | ||
| 474 | D | 38.3 | Very low | 37.4 | Very low | 133 Ų | 133 | 167.8 Ų | 167.8 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -78.5 | 114.6 | -175.9 | -63.6 | -74.7 | 0 | 0 | 0 | 111.9 | ||||
| 475 | E | 42.5 | Very low | 37.4 | Very low | 185 Ų | 185 | 166.6 Ų | 166.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -97.2 | 16.9 | 170.9 | -76.7 | -161.1 | 149.5 | 0 | 0 | 113.4 | E473 | E473-E475 PolarHBondContact O-N 3.33Š| ||
| 476 | D | 38.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 167.1 Ų | 167.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -97.4 | 1.4 | -179.1 | -90.8 | -40.6 | 0 | 0 | 0 | 114.4 | D478 | D476-D478 PolarHBondContact O-N 3.48Š| ||
| 477 | E | 39.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 161.9 Ų | 161.9 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | -76.5 | -17.3 | -174.2 | -68.8 | -153.3 | 139.1 | 0 | 0 | 116.3 | L479 | E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.17Å; E477-L479 VanDerWaalsContact O-N 3.12Å | ||
| 478 | D | 44.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 37.5 | -171.6 | -164.1 | 32.7 | 0 | 0 | 0 | 114.7 | D476 | D476-D478 PolarHBondContact O-N 3.48Š|
| 479 | L | 43 | Very low | 37 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 61% | 0.607 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | -8.3 | 177.9 | -76 | -177.4 | 0 | 0 | 0 | 117 | E477 | E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.17Å; E477-L479 VanDerWaalsContact O-N 3.12Å |
| 480 | E | 41.8 | Very low | 37.1 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -115.7 | 73.2 | -178.8 | -62.1 | -153.6 | 156.2 | 0 | 0 | 112.8 | ||||
| 481 | Q | 40.6 | Very low | 37.2 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -144.7 | 38.2 | 176 | -147.3 | 169.3 | 102.9 | 0 | 0 | 115.1 | ||||
| 482 | L | 41.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 161.6 Ų | 161.6 | 90% | 0.901 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -142.3 | 31.4 | 172.2 | -85.4 | -172.5 | 0 | 0 | 0 | 115.4 | ||
| 483 | Q | 36.1 | Very low | 37.5 | Very low | 192 Ų | 192 | 164.4 Ų | 164.4 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -166.4 | 101.5 | 158.5 | -117.7 | 164.3 | -6.5 | 0 | 0 | 113.2 | ||||
| 484 | E | 32.9 | Very low | 37.2 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 94% | 0.939 | 84% | 0.841 | S | S | * | * | 175.9 | 110.4 | 124.5 | -97.5 | 176.3 | -164.6 | 0 | 0 | 110.8 | |||||
| 485 | D | 30.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 157.2 Ų | 157.2 | 83% | 0.829 | 85% | 0.846 | S | S | * | * | trans | -144.5 | 99.9 | 159.8 | -177.9 | 16.2 | 0 | 0 | 0 | 107.2 | ||||
| 486 | Q | 41.9 | Very low | 36.5 | Very low | 201 Ų | 201 | 156.1 Ų | 156.1 | 94% | 0.939 | 85% | 0.845 | S | S | * | * | trans | -166.9 | 117.4 | 173.6 | -132.1 | 159.1 | 114.3 | 0 | 0 | 112.2 | ||||
| 487 | G | 31.4 | Very low | 36.4 | Very low | 78 Ų | 78 | 155.5 Ų | 155.5 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | 127.4 | 123.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 488 | G | 31.2 | Very low | 36.3 | Very low | 67 Ų | 67 | 155.6 Ų | 155.6 | 69% | 0.691 | 84% | 0.843 | S | S | * | * | cis | 170.3 | 169.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 489 | D | 34 | Very low | 35.7 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | 60.1 | 158.6 | 167.3 | -52 | -16.9 | 0 | 0 | 0 | 117.7 | ||||
| 490 | E | 36 | Very low | 35.2 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | cis | -92.6 | -142.8 | -4.9 | -52.4 | -177.1 | 84.6 | 0 | 0 | 109.6 | ||||
| 491 | E | 35.1 | Very low | 34.8 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | cis | -129.5 | -137.7 | 5.4 | -63.2 | 179.1 | 86.8 | 0 | 0 | 110 | ||||
| 492 | E | 36.7 | Very low | 34.3 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -122.6 | 178.8 | -178.1 | -56.5 | -171.1 | 125.5 | 0 | 0 | 110.8 | ||||
| 493 | E | 35.9 | Very low | 33.8 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | cis | -141.2 | 155.6 | 13.2 | -72.8 | -174.3 | 108.4 | 0 | 0 | 112.5 | ||||
| 494 | G | 30.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | 61.3 | 134.2 | 123.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 495 | G | 31 | Very low | 33.3 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 141.2 | 103.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 496 | D | 34 | Very low | 34 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -43 | 149.2 | 164.3 | -41.9 | -54 | 0 | 0 | 0 | 112.8 | ||||
| 497 | N | 37 | Very low | 33.3 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | -176.8 | 178.4 | 67.7 | -166.1 | 29.1 | 0 | 0 | 0 | 113.4 | |||||
| 498 | E | 37 | Very low | 33.1 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 160.6 | 177.4 | -52.5 | 169.7 | 129.3 | 0 | 0 | 116.3 | ||||
| 499 | G | 32 | Very low | 32.8 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 142.4 | 109.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 500 | N | 32.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 96.8 | 140.6 | -114.2 | 69.7 | 0 | 0 | 0 | 123.9 | ||||
| 501 | E | 32.4 | Very low | 32.2 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 49.8 | 131.3 | 118.1 | -56.2 | 179.2 | 146.4 | 0 | 0 | 123.8 | |||||
| 502 | S | 31.1 | Very low | 31.8 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 80.7 | 100.8 | 135.2 | -167.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 503 | S | 30.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 40.5 | 119.4 | 115 | -34.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 504 | T | 26.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | 179.9 | 149.7 | 110 | 25.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 505 | S | 31.4 | Very low | 31 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -111.3 | 176.3 | 152.9 | -46.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 506 | P | 46.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -143.9 | -167 | 9.6 | 41.2 | -19.5 | 0 | 0 | 0 | 116.1 | ||||
| 507 | S | 27.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 128.8 | 142 | -88.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 508 | D | 26.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | 75.8 | 95.2 | 131.3 | -57.5 | -41.6 | 0 | 0 | 0 | 124.5 | ||||
| 509 | F | 24.6 | Very low | 31.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | 69 | 130.1 | 117.4 | -91.8 | -75.7 | 0 | 0 | 0 | 125 | |||||
| 510 | F | 28.7 | Very low | 31 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | 71.1 | 153.3 | 165.9 | -52.3 | -66.4 | 0 | 0 | 0 | 116.9 | ||||
| 511 | H | 28.6 | Very low | 31 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | cis | -156.7 | 141.5 | 18.8 | -164.3 | 55.6 | 0 | 0 | 0 | 114.3 | ||||
| 512 | R | 26.6 | Very low | 30.9 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | 57.5 | 113.6 | 146.4 | -177.2 | -162.5 | -70.3 | -112.3 | 0.8 | 121.8 | ||||
| 513 | R | 29.4 | Very low | 30.9 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | -172.9 | 142.5 | 113.4 | -165.1 | 169.9 | -64.2 | -169.8 | 2.2 | 114.1 | |||||
| 514 | N | 30.2 | Very low | 31.6 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -32.8 | 141.3 | -179 | -41.4 | 5.3 | 0 | 0 | 0 | 120.2 | ||||
| 515 | S | 28.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | -171.1 | 166.2 | 115.8 | -74.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 516 | E | 36.1 | Very low | 31.5 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -84.2 | 179.3 | -170.2 | -62.1 | 173.7 | 98.9 | 0 | 0 | 114.2 | ||||
| 517 | P | 43.7 | Very low | 30.8 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -133.5 | 162.2 | 0 | 29.1 | -6.6 | 0 | 0 | 0 | 118.6 | ||||
| 518 | A | 31.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 152.9 Ų | 152.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 41.6 | 100.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 519 | E | 30.8 | Very low | 31.2 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | 67.4 | 134.6 | 59.5 | -57.5 | -168.5 | 167.3 | 0 | 0 | 115.8 | |||||
| 520 | G | 27.9 | Very low | 31.5 | Very low | 75 Ų | 75 | 159 Ų | 159 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 158.1 | 121.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 521 | L | 33.1 | Very low | 31.5 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 123.3 | 177.6 | -89.7 | 84.4 | 0 | 0 | 0 | 113 | ||||
| 522 | R | 30.1 | Very low | 31.7 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | 157.1 | 129.7 | 125.5 | -85.7 | 172.9 | -166.6 | -134.5 | 3.7 | 112.2 | |||||
| 523 | T | 31.6 | Very low | 31.8 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 152.5 | 156.8 | 11.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 524 | P | 46.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | -152.9 | 172.7 | 92.6 | 41.7 | -23.7 | 0 | 0 | 0 | 117.5 | |||||
| 525 | E | 26.8 | Very low | 31.7 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | 62.2 | 148.7 | 158 | -70.4 | -179.2 | 140.5 | 0 | 0 | 121.6 | ||||
| 526 | G | 27.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 173.8 | -18.3 | 167 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 527 | Q | 30.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 61.6 | 135 | 176.2 | -45.3 | 178.1 | 3.9 | 0 | 0 | 120.8 | ||||
| 528 | Q | 29.9 | Very low | 31.7 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | 153.7 | 115.7 | 111.6 | -77 | -158.8 | 47.5 | 0 | 0 | 117.2 | |||||
| 529 | K | 32.9 | Very low | 32.6 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | 54.2 | 118.7 | 135.6 | -54.5 | 171.2 | -175.4 | 154.2 | 0 | 122.9 | ||||
| 530 | R | 31.3 | Very low | 33.4 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | 165.3 | 154.5 | 107.4 | -91.3 | -175.1 | -174.8 | -109.8 | 2.3 | 114.8 | |||||
| 531 | G | 27.3 | Very low | 33.5 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | 97.2 | 119.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 532 | L | 34.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | cis | 60.3 | 120.5 | 48.7 | -53.9 | 177 | 0 | 0 | 0 | 111.3 | ||||
| 533 | T | 27.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -152.5 | 159.3 | 42.8 | 41.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 534 | E | 27.9 | Very low | 33.2 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 67.6 | 136.8 | 145 | -71.8 | 172.3 | 157.6 | 0 | 0 | 124.1 | ||||
| 535 | T | 29.8 | Very low | 32.4 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -129.3 | 159.7 | 165.7 | -16.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 536 | P | 47.4 | Very low | 34 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -148 | -167.3 | 80.1 | 43 | -23.3 | 0 | 0 | 0 | 111.8 | |||||
| 537 | A | 27 | Very low | 34.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | cis | -153.6 | 163.9 | 9.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 538 | S | 34.7 | Very low | 34.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -106.3 | -163.5 | 155.9 | -36.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 539 | P | 49.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -133.2 | -139.1 | 13 | 42.1 | -19.7 | 0 | 0 | 0 | 111 | ||||
| 540 | P | 47.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | -104.8 | -165.2 | -46.5 | 39.2 | -24.8 | 0 | 0 | 0 | 110.6 | ||||
| 541 | G | 30 | Very low | 34.8 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | cis | 142.1 | 178 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 542 | A | 29.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 95% | 0.95 | 81% | 0.813 | S | S | * | * | trans | 81 | 159.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 543 | S | 28.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -134.4 | 164.3 | -158.8 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 544 | L | 30 | Very low | 34.8 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | 179.6 | 166.5 | 127.9 | -97.2 | 165.7 | 0 | 0 | 0 | 113.2 | |||||
| 545 | D | 30.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -94.2 | 172.1 | -173 | -95.7 | -53.1 | 0 | 0 | 0 | 114.1 | ||||
| 546 | P | 59.7 | Low | 35 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | trans | -94.6 | -178.9 | -160.8 | 38.8 | -39.4 | 0 | 0 | 0 | 115.4 | ||||
| 547 | P | 44.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -133.2 | 164.2 | 136.9 | 38.8 | -28.8 | 0 | 0 | 0 | 114.2 | ||||
| 548 | S | 30.4 | Very low | 34.2 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -86.6 | 158.1 | 173.7 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 549 | T | 32 | Very low | 33.9 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -150.2 | 155.8 | 143.4 | 39.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 550 | D | 29.5 | Very low | 32.8 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -79 | 177 | -173.3 | -44.1 | -102 | 0 | 0 | 0 | 114.6 | ||||
| 551 | A | 32 | Very low | 32.4 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 134.2 | 138.8 | 135 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 552 | E | 30 | Very low | 32.1 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 160.8 | 179.1 | -53.4 | 155.9 | 96.3 | 0 | 0 | 112.6 | ||||
| 553 | S | 30 | Very low | 32.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 161.1 | 131.7 | 117 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 554 | S | 30.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 32.5 | 133.8 | 139.9 | -36.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 555 | G | 28.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 175.3 | 61.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 556 | E | 31.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -14.5 | 156.1 | 164.8 | -70.3 | -167.6 | 78.1 | 0 | 0 | 124.1 | ||||
| 557 | Q | 29.7 | Very low | 30.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | 89.5 | 109.6 | 141.5 | -80.8 | 166.7 | 51.7 | 0 | 0 | 122.9 | ||||
| 558 | L | 29.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 56.4 | 113 | 127.4 | -68.6 | 169.1 | 0 | 0 | 0 | 120.9 | |||||
| 559 | L | 27.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | -172.6 | 164.5 | 95 | -96.8 | 168.7 | 0 | 0 | 0 | 113.4 | |||||
| 560 | E | 26.6 | Very low | 30.3 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -70.2 | -179.7 | 173.7 | -113.9 | -171.7 | 121.3 | 0 | 0 | 113.7 | ||||
| 561 | P | 40.1 | Very low | 30.4 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | cis | -143.1 | -165.1 | -7.3 | 33.4 | -9.5 | 0 | 0 | 0 | 115.7 | ||||
| 562 | L | 23.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 80.3 | 123.3 | 143 | -113.6 | 84.9 | 0 | 0 | 0 | 121.6 | ||||
| 563 | L | 29.1 | Very low | 30.1 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 55.5 | 149.1 | 153.9 | -51.5 | 179.2 | 0 | 0 | 0 | 118.5 | ||||
| 564 | G | 25.7 | Very low | 30 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | cis | 148.8 | 103.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E566 | G564-E566 PolarHBondContact O-N 3.33Š| ||
| 565 | D | 28.7 | Very low | 30.1 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 96% | 0.957 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 118 | -175.2 | -78 | -43.8 | 0 | 0 | 0 | 112.3 | ||
| 566 | E | 27.1 | Very low | 30.1 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 135.3 | 166.9 | -69.3 | -155.3 | 118.2 | 0 | 0 | 111.6 | G564 | G564-E566 PolarHBondContact O-N 3.33Š|
| 567 | S | 33.3 | Very low | 30.1 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 138.9 | 172.5 | 175.1 | 0 | 0 | 0 | 0 | 111 | ||
| 568 | P | 39 | Very low | 29.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 121.5 | 154.5 | 32.4 | -25.9 | 0 | 0 | 0 | 110.2 | ||
| 569 | V | 28.2 | Very low | 29.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | 70.1 | 126.2 | 54.3 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 570 | S | 37.3 | Very low | 30 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -172.3 | -156.7 | -9.1 | -97.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 571 | Q | 31.2 | Very low | 30.8 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | 98.7 | 130 | 148.1 | -66.1 | -179.5 | 40.6 | 0 | 0 | 116.1 | ||||
| 572 | L | 27.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -148.7 | 137.1 | 7.3 | -100.2 | 147.7 | 0 | 0 | 0 | 109.1 | ||||
| 573 | A | 27.7 | Very low | 30.6 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | 74.9 | 148.2 | 99.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 574 | E | 27.9 | Very low | 30.7 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -159.6 | 146.5 | -6.6 | -110.1 | 168.1 | 132.8 | 0 | 0 | 107.7 | ||||
| 575 | L | 31.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 57.7 | 157.6 | 90.8 | -61.8 | -171.9 | 0 | 0 | 0 | 116.3 | |||||
| 576 | E | 30.1 | Very low | 30.8 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -150 | -178.1 | -4.7 | -129.1 | -152.9 | 104 | 0 | 0 | 107.4 | ||||
| 577 | M | 30.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 140 Ų | 140 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | cis | -112.6 | -132.8 | 5.8 | -58.9 | 177 | -65.9 | 0 | 0 | 109 | ||||
| 578 | E | 25.5 | Very low | 30.7 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | cis | -156.5 | 122.7 | -6.2 | -149.3 | 165.8 | 163.4 | 0 | 0 | 104.9 | ||||
| 579 | A | 28.6 | Very low | 30.3 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | 73.2 | 129.8 | 64 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 580 | L | 30.4 | Very low | 30.3 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | cis | -145.4 | -135 | -4.9 | -94.1 | 159.6 | 0 | 0 | 0 | 110.2 | ||||
| 581 | P | 44 | Very low | 30 | Very low | 110 Ų | 110 | 150 Ų | 150 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | -132.6 | 174.3 | -112.3 | 42.8 | -24.5 | 0 | 0 | 0 | 117.1 | |||||
| 582 | E | 28.3 | Very low | 29.8 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -164.2 | 151 | 128.4 | -118.6 | -170.2 | 173.5 | 0 | 0 | 112.9 | |||||
| 583 | E | 30.5 | Very low | 29.8 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -126.2 | 153.1 | 176.7 | -68.7 | -155.1 | 145.9 | 0 | 0 | 112.2 | ||||
| 584 | R | 31.6 | Very low | 29.9 | Very low | 231 Ų | 231 | 154.3 Ų | 154.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -164.3 | 114.2 | 145.8 | -114.4 | 164 | -129.4 | 165.1 | 10.2 | 114.4 | ||||
| 585 | D | 27.4 | Very low | 30 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 149.4 | 163.5 | -100.5 | -41.9 | 0 | 0 | 0 | 113.1 | ||||
| 586 | I | 29.3 | Very low | 29.8 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | -156.4 | 128.6 | 128.4 | 26.8 | 170.8 | 0 | 0 | 0 | 111.4 | |||||
| 587 | S | 28.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -94.6 | 146.7 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 588 | S | 28.6 | Very low | 30.5 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -164.7 | 106.5 | 139.8 | -154.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 589 | S | 30.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | 66.6 | 116.7 | 124.2 | -50.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 590 | R | 28 | Very low | 30.7 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | 86.2 | 107.5 | 116 | -171 | -164.3 | -165.1 | -172.2 | 7.7 | 120.5 | |||||
| 591 | K | 30.4 | Very low | 30.6 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | -163 | 159.2 | 112.8 | -107 | 167.1 | -172.8 | 175.8 | 0 | 112.9 | |||||
| 592 | K | 28.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -93.2 | 157.2 | -177.1 | -52.3 | -179.2 | 171.4 | -162.1 | 0 | 112.1 | ||||
| 593 | S | 27.6 | Very low | 30.3 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -177.1 | 117.4 | 109.5 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 594 | E | 29.6 | Very low | 30.2 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -74.8 | 173 | 147.2 | -43.4 | 115.6 | 123.4 | 0 | 0 | 108.5 | ||||
| 595 | D | 30.3 | Very low | 30 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | cis | -163.5 | -174.8 | 10.8 | -165.5 | 17.3 | 0 | 0 | 0 | 111.5 | ||||
| 596 | S | 27.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | 88.7 | 112.9 | 144.8 | -70.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 597 | L | 37.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -81 | 165 | 150.5 | -61.3 | 169.8 | 0 | 0 | 0 | 110.6 | ||||
| 598 | P | 37.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -136.4 | 174.1 | 142.4 | 38 | -26.1 | 0 | 0 | 0 | 114.5 | ||||
| 599 | T | 28.4 | Very low | 30.8 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -138.2 | 138.9 | -155.2 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 600 | I | 29.7 | Very low | 31.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | 32 | 127.1 | 153.8 | -54 | 165.7 | 0 | 0 | 0 | 121.2 | ||||
| 601 | L | 29.5 | Very low | 31.5 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -178.5 | 136.1 | 131.4 | -115.8 | 79 | 0 | 0 | 0 | 106 | ||||
| 602 | E | 33.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | cis | 99.2 | 140 | 30.1 | -165.5 | 169.8 | -164.4 | 0 | 0 | 115 | ||||
| 603 | N | 31.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 79.5 | 138.7 | -172.1 | -52.8 | -79.2 | 0 | 0 | 0 | 116.1 | ||||
| 604 | G | 28.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | cis | 143.7 | 105.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 605 | A | 27.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -169.7 | 160.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 606 | A | 32.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -133 | 162 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 607 | V | 32.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 92% | 0.915 | 79% | 0.791 | S | S | * | * | trans | -169.6 | 164 | 155.5 | 132.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 608 | V | 31.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -136.6 | 164.1 | -158 | 179 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 609 | T | 33.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 156.8 | 164.1 | 26.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 610 | S | 37.6 | Very low | 30.9 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -163.6 | 157.4 | 17.2 | -136.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 611 | T | 35.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 66.3 | 174.2 | 162.6 | 71.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 612 | S | 35.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 178.9 | 4.6 | -136.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 613 | V | 31.6 | Very low | 30.2 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | cis | -161.8 | 178.9 | -1 | 76.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 614 | N | 38.1 | Very low | 29.9 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -113.8 | 166.8 | -174.5 | -64 | -18.7 | 0 | 0 | 0 | 116.6 | ||||
| 615 | G | 26.6 | Very low | 29.8 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -169.1 | 155 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 616 | R | 28.1 | Very low | 29.8 | Very low | 231 Ų | 231 | 130.1 Ų | 130.1 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -149.1 | 143 | -161.4 | -147.9 | -157.8 | 176.3 | -150.1 | 2 | 116.8 | ||||
| 617 | V | 27.5 | Very low | 30.8 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 70 | 110.4 | 141.1 | 151.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 618 | S | 26.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | 72.8 | 136.5 | 116.2 | -154 | 0 | 0 | 0 | 0 | 127.6 | |||||
| 619 | S | 27 | Very low | 30.9 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | trans | 87.2 | 149.5 | 132.1 | 43.2 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 620 | H | 25.1 | Very low | 30.6 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | 86.9 | 147.6 | 166.1 | -50.6 | -63.5 | 0 | 0 | 0 | 117.4 | ||||
| 621 | T | 26.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -147.8 | 145.3 | 5 | 44.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 622 | W | 25.4 | Very low | 29.8 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | 56 | 157.4 | 135.8 | -59.3 | 37.8 | 0 | 0 | 0 | 119.1 | ||||
| 623 | R | 25.1 | Very low | 29.7 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | cis | -162.4 | 158.1 | 17.5 | -153.3 | -167.4 | -73.4 | -114.7 | -1.2 | 113.2 | ||||
| 624 | D | 24.5 | Very low | 29.7 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 56.4 | 113.4 | 148.5 | -77.2 | -29.4 | 0 | 0 | 0 | 125.2 | ||||
| 625 | A | 27 | Very low | 29.3 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | 71.7 | 90.6 | 113.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 626 | S | 26.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | 60.2 | -179.1 | 115.7 | -37.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 627 | P | 53.3 | Low | 29.7 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | -125.2 | -176.3 | -119.4 | 33.7 | -9.8 | 0 | 0 | 0 | 115 | |||||
| 628 | P | 39.6 | Very low | 30 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 72% | 0.716 | S | S | * | * | -153.1 | 175.9 | 104.1 | 39.8 | -22.1 | 0 | 0 | 0 | 116.8 | |||||
| 629 | S | 27.9 | Very low | 30.2 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -96.4 | 157.6 | -178.1 | 42.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 630 | K | 28 | Very low | 30.3 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 74% | 0.735 | 73% | 0.731 | S | S | * | * | trans | 150.4 | 145 | 133.2 | -85.4 | 158.8 | -178.3 | 166.9 | 0 | 117.1 | ||||
| 631 | R | 29.7 | Very low | 30.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | 72 | 168.2 | 152.3 | -73.6 | 179.6 | -81.5 | -150.1 | 4.2 | 115.8 | ||||
| 632 | F | 26.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 143 Ų | 143 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | -165.8 | 174.5 | 5.4 | -118.1 | 3.8 | 0 | 0 | 0 | 108.2 | ||||
| 633 | R | 31.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | cis | 173.9 | 128.1 | -19.2 | 156.9 | -177 | 156.8 | -77.6 | 12.7 | 112.8 | ||||
| 634 | K | 31.8 | Very low | 31.2 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | trans | 70.4 | 171.1 | 159.1 | -135.4 | 175.5 | 159.5 | -136.7 | 0 | 114.3 | ||||
| 635 | E | 29.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 137 Ų | 137 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | cis | -170.7 | 179.6 | 19.8 | -165.7 | 149.9 | -170 | 0 | 0 | 110.6 | ||||
| 636 | K | 34.1 | Very low | 31.5 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | -162.7 | 141.3 | -69 | 177.2 | -164.6 | 173.5 | -165.8 | 0 | 112.6 | |||||
| 637 | K | 29.8 | Very low | 31.8 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -171.3 | 150.5 | 153.3 | -99.4 | 179.2 | 179.2 | -179.8 | 0 | 107.7 | ||||
| 638 | Q | 34.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | cis | 82 | 101.5 | -22.1 | -157.1 | 177.1 | 31.8 | 0 | 0 | 123.8 | ||||
| 639 | L | 30.5 | Very low | 30.3 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | trans | -166.9 | 138.8 | 135.2 | -131.5 | 114.7 | 0 | 0 | 0 | 108.1 | ||||
| 640 | G | 28.9 | Very low | 30.5 | Very low | 60 Ų | 60 | 152.1 Ų | 152.1 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 179.7 | 153.4 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 641 | S | 31.6 | Very low | 30.7 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 98% | 0.979 | 78% | 0.776 | S | S | * | * | trans | 67.3 | 151.6 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 642 | G | 27.7 | Very low | 31.3 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | cis | -158.2 | 178.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 643 | L | 31 | Very low | 31.5 | Very low | 168 Ų | 168 | 151 Ų | 151 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -100.8 | 148.3 | -169.1 | -69.5 | 77.1 | 0 | 0 | 0 | 114.8 | ||||
| 644 | L | 31.5 | Very low | 31.5 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | 176.5 | 157.4 | 136.4 | -93.6 | 152.1 | 0 | 0 | 0 | 108.5 | ||||
| 645 | G | 28.6 | Very low | 31.4 | Very low | 56 Ų | 56 | 148.5 Ų | 148.5 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | cis | 162 | 119.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 646 | N | 28.8 | Very low | 31.6 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | 79.7 | 150.6 | 165.8 | -59.5 | -8.5 | 0 | 0 | 0 | 120.3 | ||||
| 647 | S | 31.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -112 | 168.2 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 648 | Y | 27.3 | Very low | 31.5 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -145.4 | 132.2 | 159.3 | -110.4 | -81.3 | 0 | 0 | 0 | 111.8 | ||||
| 649 | I | 34.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -107.3 | 156 | 164.9 | -67.3 | 173.1 | 0 | 0 | 0 | 106.7 | ||||
| 650 | K | 31.6 | Very low | 31.4 | Very low | 202 Ų | 202 | 140 Ų | 140 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -125.4 | 144.3 | 173.2 | -145.2 | 170.6 | -174 | 177.5 | 0 | 111.7 | ||||
| 651 | E | 32.1 | Very low | 31.5 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -95 | 161.4 | -159.8 | -59.5 | 165.5 | 113.3 | 0 | 0 | 114.3 | ||||
| 652 | P | 43.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 157.4 | 161.9 | 37.4 | -32.6 | 0 | 0 | 0 | 112.4 | ||||
| 653 | M | 29.5 | Very low | 31.6 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 100% | 0.995 | 80% | 0.796 | S | S | * | * | trans | -146.3 | 156.7 | 163.8 | -147.3 | 172 | -172.8 | 0 | 0 | 112.6 | ||||
| 654 | A | 33.1 | Very low | 31.5 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -97.3 | 171.8 | -155.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 655 | Q | 29.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -166.9 | 135.6 | 135.7 | -110.4 | 174.9 | -92.9 | 0 | 0 | 114.4 | ||||
| 656 | Q | 31.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 63.1 | 152.8 | 151.6 | -68.7 | 175.6 | -93.4 | 0 | 0 | 120 | ||||
| 657 | D | 29.6 | Very low | 33 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | cis | -147.3 | 179.4 | -0.8 | -138.1 | -43.8 | 0 | 0 | 0 | 113.1 | ||||
| 658 | S | 32.4 | Very low | 33.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -4.8 | 149.3 | 165.9 | 65.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 659 | G | 29.2 | Very low | 34.1 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | cis | 151.3 | 161.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 660 | Q | 35 | Very low | 35.5 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | 69.2 | 157.8 | 177.4 | -55.6 | -175.8 | 11.7 | 0 | 0 | 117.5 | ||||
| 661 | N | 31.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -170.7 | 136.7 | -41.4 | -101.2 | -9.7 | 0 | 0 | 0 | 110.4 | ||||
| 662 | T | 31.1 | Very low | 36.9 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | 61.6 | 155.8 | 149.6 | 53 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 663 | S | 28.8 | Very low | 36.3 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -174.2 | 148.5 | -12.9 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 664 | V | 29.1 | Very low | 36.5 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 78.2 | 148.8 | 148.3 | 156.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 665 | Q | 36.6 | Very low | 36.6 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | -106.1 | -174.8 | 179.9 | -117.2 | -164.8 | 36.8 | 0 | 0 | 110.6 | ||||
| 666 | P | 47.4 | Very low | 36.7 | Very low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -149.8 | -168.2 | 34.2 | 43.6 | -20.1 | 0 | 0 | 0 | 118.1 | ||||
| 667 | M | 36.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -74.2 | 161.5 | 175 | -72.8 | -69.4 | -59.6 | 0 | 0 | 114.6 | ||||
| 668 | P | 47 | Very low | 36.7 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -146.4 | 178.2 | 87.2 | 38.2 | -19.3 | 0 | 0 | 0 | 116.9 | |||||
| 669 | S | 35.8 | Very low | 36.6 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -127.4 | -161.9 | -178.7 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 670 | P | 64.4 | Low | 36.5 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -129.5 | -168.5 | -5.8 | 43.1 | -23.9 | 0 | 0 | 0 | 113.4 | ||||
| 671 | P | 56.6 | Low | 36.2 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -124.8 | -153.9 | 83.7 | 2.2 | 21.7 | 0 | 0 | 0 | 113.8 | |||||
| 672 | L | 35.3 | Very low | 36.1 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | -178.3 | 169.6 | -67 | -85 | 176.1 | 0 | 0 | 0 | 106.5 | |||||
| 673 | A | 31.7 | Very low | 36.2 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | cis | 170.9 | 139 | -36.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 674 | S | 34.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -137.2 | -145.4 | -6 | -66.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 675 | V | 34.3 | Very low | 36.3 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | cis | -144.3 | 154.1 | 14.1 | -75.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 676 | A | 32.3 | Very low | 35.7 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | 82.6 | 136 | 49.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 677 | S | 30.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -154.5 | 143 | 3.2 | 40.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 678 | V | 32 | Very low | 35.6 | Very low | 145 Ų | 145 | 124 Ų | 124 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | 65.2 | 115.8 | 61.4 | -168.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 679 | A | 29.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -169.6 | 155.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 680 | D | 28.4 | Very low | 34.4 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -153.1 | 136.8 | 179.3 | 174.8 | 23.2 | 0 | 0 | 0 | 110.3 | ||||
| 681 | S | 28.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 165.5 | 122.5 | 157.5 | -81.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 682 | S | 28.5 | Very low | 31.3 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 31.6 | 122.5 | 135.8 | 167.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 683 | T | 34.5 | Very low | 31 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | -171.7 | 134.4 | 107.4 | 31.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 684 | R | 29.6 | Very low | 30.8 | Very low | 226 Ų | 226 | 132.9 Ų | 132.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 5.4 | 135.7 | 154.6 | -75.5 | -176.7 | 165.3 | 172.3 | -4.6 | 124.7 | ||||
| 685 | V | 29.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 53.2 | 134.5 | 139.1 | -45.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 686 | D | 25.1 | Very low | 30.2 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | -160.3 | 168.3 | 76.5 | -162.2 | 5.1 | 0 | 0 | 0 | 113.5 | |||||
| 687 | S | 42.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -164.1 | 119.9 | 174.4 | -73.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 688 | P | 38.2 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -126.3 | 154.4 | 155.4 | 34.8 | -21.5 | 0 | 0 | 0 | 112.8 | ||||
| 689 | S | 26.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | -161 | 161.8 | -5.6 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 690 | H | 31.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 176.5 | 166.9 | -90 | -109.2 | 0 | 0 | 0 | 111.4 | ||||
| 691 | E | 25.5 | Very low | 30.2 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | -166.2 | 165.8 | 64.9 | -93.7 | -169.2 | 153.6 | 0 | 0 | 117.7 | |||||
| 692 | L | 29.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -155.6 | 146.3 | -173.3 | -65.3 | 177 | 0 | 0 | 0 | 106.3 | ||||
| 693 | V | 29.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | cis | -166.5 | 171.6 | 1.4 | 66 | 0 | 0 | 0 | 0 | 109 | ||||
| 694 | T | 26.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 66.6 | 174.9 | 167.1 | 59.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 695 | S | 28.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | cis | -157.1 | 150.7 | 8.6 | -12.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 696 | S | 28.1 | Very low | 30 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | 39 | 140.3 | 125.7 | -156.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 697 | L | 30.8 | Very low | 30.1 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 177.1 | 153 | 105.3 | -94.8 | 174.1 | 0 | 0 | 0 | 117.4 | |||||
| 698 | C | 25.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 75.2 | 132.9 | 153.1 | -71.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 699 | S | 29.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 168.4 | 166.4 | -0.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 700 | P | 34.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | -147.1 | 176.2 | 107.6 | 39.7 | -24.9 | 0 | 0 | 0 | 114.8 | |||||
| 701 | S | 30.5 | Very low | 29.2 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -119 | 157.1 | 173.2 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 702 | P | 38.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -143.2 | 172.2 | 129.9 | 38.2 | -24.3 | 0 | 0 | 0 | 114.5 | |||||
| 703 | S | 28.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -90.5 | 160.2 | -169.9 | -32.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 704 | L | 26.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 165.6 | 145 | -113 | 174.1 | 0 | 0 | 0 | 112.9 | ||||
| 705 | L | 27.5 | Very low | 29.6 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -92.5 | 150 | -173.6 | -78.9 | 152 | 0 | 0 | 0 | 113.7 | ||||
| 706 | L | 26.3 | Very low | 29.5 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -158.2 | -179.1 | 139.4 | -134.2 | 69.2 | 0 | 0 | 0 | 112.1 | ||||
| 707 | Q | 27.5 | Very low | 29.4 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -113.3 | 156.7 | -152 | -71 | 174.7 | -64.1 | 0 | 0 | 117.2 | ||||
| 708 | T | 26.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -13.8 | 153.2 | 150.2 | 44 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 709 | P | 33.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | cis | -149.6 | 150.4 | 49.5 | 40.8 | -20.2 | 0 | 0 | 0 | 121.8 | ||||
| 710 | Q | 30.2 | Very low | 29.5 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | 16.4 | 120.6 | 133.2 | -167.2 | 176.8 | 25.6 | 0 | 0 | 119.8 | ||||
| 711 | A | 28.5 | Very low | 29.2 | Very low | 102 Ų | 102 | 154 Ų | 154 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -130.1 | 161.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 712 | Q | 28.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 154.6 Ų | 154.6 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -98.6 | 159.3 | -158.4 | -68.7 | 162.5 | -31.3 | 0 | 0 | 114.6 | ||||
| 713 | S | 32.9 | Very low | 28.8 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -71.6 | 136 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 714 | L | 28.5 | Very low | 28.9 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -124.4 | 148.8 | 164.3 | -86.9 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 715 | R | 29.2 | Very low | 29.4 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.2 | -168.9 | -72.3 | -178.4 | 171.5 | -174.5 | -3.8 | 112.2 | ||
| 716 | Q | 27.9 | Very low | 30 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.3 | 164.6 | -66.3 | 162 | -32.1 | 0 | 0 | 109.3 | ||
| 717 | C | 25.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 128.5 | 160.2 | -71.4 | 0 | 0 | 0 | 0 | 108.2 | Y719 | C717-Y719 HydrophobicContact CB-CD2 4.49Å; C717-Y719 HydrophobicContact CB-CE2 4.03Å; C717-Y719 PolarHBondContact O-N 3.09Å |
| 718 | I | 29.4 | Very low | 31.1 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 110.4 | -179.9 | -59.2 | 171.9 | 0 | 0 | 0 | 108.2 | ||||
| 719 | Y | 27 | Very low | 32 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -103.7 | 113 | 165.2 | -71 | -75.1 | 0 | 0 | 0 | 108.8 | C717 | C717-Y719 HydrophobicContact CB-CD2 4.49Å; C717-Y719 HydrophobicContact CB-CE2 4.03Å; C717-Y719 PolarHBondContact O-N 3.09Å | ||
| 720 | K | 32.3 | Very low | 32.5 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | -78.5 | 120.3 | 165.3 | -68 | -179.8 | 179.4 | 178.4 | 0 | 107.8 | ||||
| 721 | T | 28.3 | Very low | 33.3 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -119.7 | 113.4 | 169.1 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 722 | S | 30.2 | Very low | 34.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 90% | 0.895 | 72% | 0.719 | S | S | * | * | trans | -73 | 131.7 | 164.6 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 723 | V | 29.8 | Very low | 34.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.655 | 70% | 0.701 | S | S | * | * | trans | -119.2 | 102.3 | 179.7 | -175.2 | 0 | 0 | 0 | 0 | 109 | T725 | V723-T725 HydrophobicContact CG1-CG2 3.93Å; V723-T725 PolarHBondContact O-N 2.66Å; V723-T725 VanDerWaalsContact O-N 3.16Å | ||
| 724 | A | 30.8 | Very low | 35.1 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -75.8 | 95.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q726 | A724-Q726 PolarHBondContact O-N 2.76Š| ||
| 725 | T | 37.4 | Very low | 35.3 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | trans | -78.9 | 98.8 | 172.5 | 52 | 0 | 0 | 0 | 0 | 110 | V723 C727 | V723-T725 HydrophobicContact CG1-CG2 3.93Å; V723-T725 PolarHBondContact O-N 2.66Å; V723-T725 VanDerWaalsContact O-N 3.16Å; T725-C727 VanDerWaalsContact C-N 3.29Å; T725-C727 PolarHBondContact O-N 3.25Å | ||
| 726 | Q | 39.4 | Very low | 35.5 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | trans | -72.4 | 85.9 | 167.3 | -172 | 175.7 | 8.6 | 0 | 0 | 109.1 | A724 | A724-Q726 PolarHBondContact O-N 2.76Š| ||
| 727 | C | 36.5 | Very low | 36.1 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 55% | 0.554 | 67% | 0.673 | S | S | * | * | trans | -84.4 | 148.4 | 174.9 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | T725 | T725-C727 VanDerWaalsContact C-N 3.29Å; T725-C727 PolarHBondContact O-N 3.25Å | ||
| 728 | D | 40.4 | Very low | 36.6 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 40% | 0.401 | 68% | 0.68 | S | S | . | * | trans | -63.3 | 131.1 | 168.2 | -167.5 | -53 | 0 | 0 | 0 | 109.6 | Y350 E730 E731 | Y350-D728 PolarHBondContact OH-OD2 2.81Å; D728-E730 PolarHBondContact O-N 3.39Å; D728-E730 WeakPolarHBondContact OD1-CB 3.42Å; D728-E730 PolarHBondContact OD1-N 2.95Å; D728-E731 HydrophobicContact CB-CB 4.46Å; D728-E731 PolarHBondContact O-N 3.01Å | ||
| 729 | P | 46.7 | Very low | 36.8 | Very low | 50 Ų | 50 | 127.1 Ų | 127.1 | 33% | 0.325 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -15.5 | 178.9 | 26.7 | -35 | 0 | 0 | 0 | 114.1 | H335 I339 | H335-P729 PolarHBondContact CE1-O 3.25Å; I339-P729 HydrophobicContact CG2-CB 3.75Å |
| 730 | E | 43.2 | Very low | 37.3 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -12.1 | -176.6 | -58.4 | -175 | -178 | 0 | 0 | 113.5 | D728 I732 | D728-E730 PolarHBondContact O-N 3.39Å; D728-E730 WeakPolarHBondContact OD1-CB 3.42Å; D728-E730 PolarHBondContact OD1-N 2.95Å; E730-I732 PolarHBondContact O-N 3.22Å |
| 731 | E | 47.7 | Very low | 37.5 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 46% | 0.458 | 69% | 0.692 | S | S | . | * | trans | -93.5 | 95.6 | -176.6 | -158.6 | -169 | -143.1 | 0 | 0 | 113.6 | R371 D728 I733 | R371-E731 VanDerWaalsContact CZ-CD 3.49Å; R371-E731 IonicContact CZ-OE1 3.03Å; R371-E731 IonicContact CZ-OE2 3.28Å; R371-E731 IonicContact NE-OE1 3.61Å; R371-E731 IonicContact NH1-OE1 2.64Å; R371-E731 IonicContact NH1-OE2 3.66Å; R371-E731 PolarHBondContact NH1-OE2 3.02Å; R371-E731 IonicContact NH2-OE1 2.86Å; R371-E731 PolarHBondContact NH2-OE1 3.08Å; R371-E731 IonicContact NH2-OE2 3.08Å; R371-E731 PolarHBondContact NH2-OE2 3.22Å; D728-E731 HydrophobicContact CB-CB 4.46Å; D728-E731 PolarHBondContact O-N 3.01Å; E731-I733 PolarHBondContact O-N 2.9Å | ||
| 732 | I | 46.5 | Very low | 38 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | trans | -73.1 | 109.6 | 174 | -49.8 | 176.5 | 0 | 0 | 0 | 110.1 | E730 V734 | E730-I732 PolarHBondContact O-N 3.22Å; I732-V734 VanDerWaalsContact C-N 3.27Å; I732-V734 HydrophobicContact CB-CG2 4.36Å; I732-V734 HydrophobicContact CG2-CG2 3.64Å; I732-V734 PolarHBondContact O-N 3.23Å | ||
| 733 | I | 42.4 | Very low | 38.5 | Very low | 88 Ų | 88 | 119 Ų | 119 | 45% | 0.451 | 68% | 0.678 | S | S | . | * | trans | -73.1 | 85.8 | 164.1 | -54.8 | 179.5 | 0 | 0 | 0 | 108.5 | E731 L735 | E731-I733 PolarHBondContact O-N 2.9Å; I733-L735 HydrophobicContact CG2-CD2 4.03Å; I733-L735 HydrophobicContact CG2-CG 4.3Å; I733-L735 PolarHBondContact O-N 2.83Å | ||
| 734 | V | 37.1 | Very low | 39 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 66% | 0.661 | 68% | 0.68 | S | S | * | * | trans | -73.8 | 100.6 | 165 | -177 | 0 | 0 | 0 | 0 | 107.4 | I732 S736 | I732-V734 VanDerWaalsContact C-N 3.27Å; I732-V734 HydrophobicContact CB-CG2 4.36Å; I732-V734 HydrophobicContact CG2-CG2 3.64Å; I732-V734 PolarHBondContact O-N 3.23Å; V734-S736 PolarHBondContact O-N 2.99Å | ||
| 735 | L | 32.9 | Very low | 39.6 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | trans | -70.4 | 107.7 | 161.1 | -63.1 | 178.3 | 0 | 0 | 0 | 106.8 | I733 D737 | I733-L735 HydrophobicContact CG2-CD2 4.03Å; I733-L735 HydrophobicContact CG2-CG 4.3Å; I733-L735 PolarHBondContact O-N 2.83Å; L735-D737 PolarHBondContact O-N 3.42Å | ||
| 736 | S | 33.8 | Very low | 39.8 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | trans | -62.2 | 129.6 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | V734 S738 | V734-S736 PolarHBondContact O-N 2.99Å; S736-S738 PolarHBondContact O-N 3.48Å | ||
| 737 | D | 40.4 | Very low | 39.8 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 89% | 0.893 | 66% | 0.658 | S | S | * | * | trans | -52.7 | 138.3 | 166.6 | -65.2 | -47.1 | 0 | 0 | 0 | 109.7 | L735 | L735-D737 PolarHBondContact O-N 3.42Š| ||
| 738 | S | 37.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -114.1 | 140.6 | 171.4 | -61 | 0 | 0 | 0 | 0 | 108.7 | S736 | S736-S738 PolarHBondContact O-N 3.48Š| ||
| 739 | D | 32.3 | Very low | 40 | Very low | 247 Ų | 247 | 124.7 Ų | 124.7 | 100% | 1.321 | 69% | 0.691 | S | S | * | * | trans | -61.7 | 0 | -175 | -63.4 | -66 | 0 | 0 | 0 | 114.6 |
Retrieved 739 of 739 residues in 265.1 ms
(Link to these results)