| 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 | 55 | Low | 53.2 | Low | 255 Ų | 255 | 129.5 Ų | 129.5 | 100% | 1.256 | 83% | 0.825 | S | S | * | * | 0 | 137.2 | 0 | -76 | 167.1 | 166.2 | 0 | 0 | 107.5 | |||||
| 2 | A | 41.6 | Very low | 52.4 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -127.9 | 142.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | L | 59.4 | Low | 51.6 | Low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -148.4 | 93.6 | 162.5 | -67.2 | 177.9 | 0 | 0 | 0 | 105.2 | ||||
| 4 | V | 65 | Low | 51.3 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | 68.5 | 112 | 83.8 | 178.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 5 | P | 54.8 | Low | 50.7 | Low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -98.6 | 157 | 163.5 | 37.3 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 6 | S | 64.6 | Low | 50 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -116.6 | 146.6 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 7 | S | 48.1 | Very low | 49.9 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -122.5 | -169.6 | -170.6 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | S | 54.1 | Low | 49.4 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 92.7 | 148.2 | 169.7 | 81.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 9 | S | 46.7 | Very low | 49.3 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | cis | -176.9 | 177.1 | -23.2 | 52 | 0 | 0 | 0 | 0 | 112 | ||||
| 10 | S | 51.4 | Low | 48.9 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | 75.9 | 129.2 | 167.1 | 63.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 11 | S | 44.5 | Very low | 48.7 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | 79.9 | 140.7 | 46 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 12 | S | 44.1 | Very low | 48.2 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | -170.8 | 140.8 | -5.6 | 43 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | E | 42.2 | Very low | 48.5 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | 48 | 154.1 | 130.1 | -147.8 | 176.5 | 175.2 | 0 | 0 | 124.1 | ||||
| 14 | V | 46.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 121.9 | 131 | 146.9 | 178.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 15 | A | 42.3 | Very low | 46.5 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 94.4 | 124.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 16 | L | 39.1 | Very low | 46.2 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -78.8 | 161.6 | 167.1 | -151.3 | 94.7 | 0 | 0 | 0 | 112.1 | ||||
| 17 | E | 48 | Very low | 44.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -156 | 153.1 | 149.4 | -101.7 | -83.1 | 85.9 | 0 | 0 | 109.6 | ||||
| 18 | R | 40.8 | Very low | 44.5 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -115 | 165.2 | -177.7 | -63.7 | 176.7 | 177.5 | 171.9 | -0.8 | 111.4 | ||||
| 19 | R | 48.8 | Very low | 44 | Very low | 234 Ų | 234 | 149.5 Ų | 149.5 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -166.1 | 158.7 | 137.7 | -107.8 | 163.6 | -148.9 | -152.3 | 6.2 | 114.1 | ||||
| 20 | D | 40.9 | Very low | 43.4 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -103.9 | -165.4 | -163.9 | -66.9 | -84.5 | 0 | 0 | 0 | 114.1 | ||||
| 21 | E | 44.7 | Very low | 42.6 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 92.4 | 143.7 | 160.2 | -56.2 | -160.1 | 110.9 | 0 | 0 | 118.6 | ||||
| 22 | S | 44.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 160.4 Ų | 160.4 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | cis | -168.9 | 140.6 | -19.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | S | 47.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 164 Ų | 164 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | 68.6 | 148.3 | 141.3 | -64.9 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 24 | H | 45.6 | Very low | 41.3 | Very low | 188 Ų | 188 | 165.9 Ų | 165.9 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 92.3 | 148.8 | -68.8 | -19.1 | 0 | 0 | 0 | 122 | ||||
| 25 | G | 37.3 | Very low | 40.4 | Very low | 73 Ų | 73 | 165.6 Ų | 165.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -82.9 | -168.2 | 165 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 26 | K | 49.2 | Very low | 39.9 | Very low | 218 Ų | 218 | 166.6 Ų | 166.6 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | trans | -158.4 | 149.1 | 154 | -109.1 | 156.8 | -170.5 | 172.2 | 0 | 112.7 | ||||
| 27 | R | 34.2 | Very low | 39.5 | Very low | 236 Ų | 236 | 164.8 Ų | 164.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -76 | 155.3 | -178.4 | -175.4 | -172 | -164.3 | 177.8 | 5.7 | 111.1 | ||||
| 28 | V | 41.9 | Very low | 38.9 | Very low | 118 Ų | 118 | 162.9 Ų | 162.9 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | 163.8 | 137.8 | 124.9 | 155.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 29 | K | 43.3 | Very low | 38.8 | Very low | 200 Ų | 200 | 159.9 Ų | 159.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | 69 | 117 | 158.5 | -82.6 | 161.1 | -170 | 176.6 | 0 | 122.7 | ||||
| 30 | R | 33.8 | Very low | 37.8 | Very low | 231 Ų | 231 | 156.4 Ų | 156.4 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -59.3 | 149.1 | 156.5 | -69.1 | 168.1 | 161.1 | 163.4 | -6.3 | 112.2 | ||||
| 31 | S | 36.2 | Very low | 37.3 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -128.9 | 131.4 | 147.3 | -176.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 32 | R | 34.2 | Very low | 36.6 | Very low | 212 Ų | 212 | 152 Ų | 152 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -103.1 | 123.4 | 170.6 | -72.1 | 174.4 | 173.2 | 167.8 | -4.8 | 107.2 | ||||
| 33 | F | 34 | Very low | 35.9 | Very low | 177 Ų | 177 | 156 Ų | 156 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -153 | 115.6 | 154.6 | -97.7 | -70.9 | 0 | 0 | 0 | 113.6 | ||||
| 34 | R | 34.1 | Very low | 35.2 | Very low | 223 Ų | 223 | 158.7 Ų | 158.7 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | trans | 42 | 116.6 | 147.2 | -67.3 | 176.8 | 179.9 | -135.5 | -0.8 | 120.5 | ||||
| 35 | S | 28.2 | Very low | 34.5 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 143.2 | 155.5 | -34.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 36 | P | 32 | Very low | 34.4 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -106.1 | 147.2 | 150 | 22.5 | -5.9 | 0 | 0 | 0 | 111.3 | ||||
| 37 | S | 30 | Very low | 33.4 | Very low | 108 Ų | 108 | 156.4 Ų | 156.4 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.2 | -175.7 | -46.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 38 | P | 35.5 | Very low | 33.2 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.4 | 171.2 | 30.8 | -33 | 0 | 0 | 0 | 111.1 | ||
| 39 | V | 38.5 | Very low | 32.8 | Very low | 137 Ų | 137 | 153 Ų | 153 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 149.6 | -179.1 | -158.8 | 0 | 0 | 0 | 0 | 109.4 | G41 | V39-G41 PolarHBondContact O-N 3.04Š|
| 40 | N | 29.3 | Very low | 32 | Very low | 161 Ų | 161 | 150.8 Ų | 150.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -47 | 122.5 | 177.8 | -63.6 | -30.2 | 0 | 0 | 0 | 113.1 | ||
| 41 | G | 28.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -112.1 | 105 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V39 | V39-G41 PolarHBondContact O-N 3.04Š| ||
| 42 | L | 31 | Very low | 31.7 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -69 | 127.5 | 158.4 | -88.9 | 86.2 | 0 | 0 | 0 | 108.4 | ||||
| 43 | M | 30.5 | Very low | 31.3 | Very low | 176 Ų | 176 | 143 Ų | 143 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -110.6 | 90.2 | 174.2 | -139.2 | -64.9 | 165.7 | 0 | 0 | 109.7 | ||||
| 44 | N | 32.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -115.3 | 119.5 | 167.9 | -85.1 | 9.9 | 0 | 0 | 0 | 108.8 | ||||
| 45 | G | 30.7 | Very low | 31.1 | Very low | 47 Ų | 47 | 135.2 Ų | 135.2 | 49% | 0.485 | 79% | 0.788 | S | S | . | * | trans | -122.2 | 159 | 151 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 46 | Y | 34.2 | Very low | 31.5 | Very low | 232 Ų | 232 | 134.2 Ų | 134.2 | 91% | 0.91 | 78% | 0.781 | S | S | * | * | cis | -154.2 | 168.5 | 14 | -8.3 | -92.6 | 0 | 0 | 0 | 109.1 | ||||
| 47 | D | 29.4 | Very low | 31.4 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -132.3 | 169.9 | -173.7 | -120.3 | -29.8 | 0 | 0 | 0 | 108.9 | ||||
| 48 | Y | 28.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -154.6 | -146.8 | 18.9 | -170.6 | -119.3 | 0 | 0 | 0 | 110.6 | E50 | Y48-E50 HydrophobicContact CE1-CG 4.37Š| ||
| 49 | T | 33.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 73.1 | 105.6 | 163.8 | 61.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 50 | E | 26.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | 73 | 133 | 78.3 | -69.8 | -175.7 | -171.8 | 0 | 0 | 112.4 | Y48 | Y48-E50 HydrophobicContact CE1-CG 4.37Š| |||
| 51 | V | 32.5 | Very low | 31.7 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -152.6 | 161.1 | 56.9 | 169.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 52 | V | 31.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -33.3 | 153.2 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 53 | T | 26.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -67.4 | 155 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 54 | S | 32 | Very low | 32 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -163 | 111.1 | 145.7 | -83.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 55 | S | 30.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | 63.2 | 168.6 | 154.8 | 94.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 56 | S | 37.2 | Very low | 31.9 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | cis | -158.4 | 127.9 | -20.7 | 168.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | H | 29.8 | Very low | 31.8 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 73% | 0.731 | 77% | 0.772 | S | S | * | * | trans | 40.3 | 132.3 | 142 | -147.7 | 28.7 | 0 | 0 | 0 | 123.5 | ||||
| 58 | R | 35.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 79 | 104.3 | 162.5 | -54.2 | -159.9 | -179.2 | -171.6 | -2.2 | 116.5 | ||||
| 59 | Q | 36.2 | Very low | 32.2 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | 76.3 | 100.6 | 75.4 | -77.7 | -179.5 | -9 | 0 | 0 | 113.4 | |||||
| 60 | N | 34.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | 153.2 | 145.5 | 129 | -77.7 | -15.5 | 0 | 0 | 0 | 111.3 | |||||
| 61 | G | 33.5 | Very low | 32.7 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 120.1 | 95.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A63 | G61-A63 PolarHBondContact O-N 3.43Š| ||
| 62 | D | 28.6 | Very low | 32.8 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -60.3 | 124.7 | 168.8 | -76.1 | -60.7 | 0 | 0 | 0 | 110.9 | ||||
| 63 | A | 31.8 | Very low | 33.3 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -124 | 98.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G61 F65 | G61-A63 PolarHBondContact O-N 3.43Å; A63-F65 PolarHBondContact O-N 3.01Å | ||
| 64 | S | 35.5 | Very low | 34.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -62.9 | 111.9 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | F | 31.4 | Very low | 34.4 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -91.8 | 108.4 | 171.6 | -105.5 | -90.9 | 0 | 0 | 0 | 111 | A63 I67 | A63-F65 PolarHBondContact O-N 3.01Å; F65-I67 PolarHBondContact O-N 3.42Å | ||
| 66 | S | 30.9 | Very low | 34.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -82.5 | 108.6 | 171.9 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 67 | I | 31.5 | Very low | 34.9 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | -82.8 | 119 | 172.9 | -61.3 | 177.3 | 0 | 0 | 0 | 109.4 | F65 T69 | F65-I67 PolarHBondContact O-N 3.42Å; I67-T69 PolarHBondContact O-N 2.72Å | ||
| 68 | V | 31.8 | Very low | 35.7 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -77.1 | 105.4 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 69 | T | 35.5 | Very low | 36 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 120.9 | 168.7 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | I67 S71 | I67-T69 PolarHBondContact O-N 2.72Å; T69-S71 PolarHBondContact O-N 3.32Å |
| 70 | R | 33.7 | Very low | 36.2 | Very low | 233 Ų | 233 | 130.9 Ų | 130.9 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.4 | -176 | -65.1 | 177 | 80 | 177.7 | 7.7 | 111.9 | ||
| 71 | S | 36.8 | Very low | 36.5 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 150.8 | -177.3 | -44.6 | 0 | 0 | 0 | 0 | 114.2 | T69 T73 | T69-S71 PolarHBondContact O-N 3.32Å; S71-T73 PolarHBondContact O-N 2.85Å |
| 72 | S | 34.2 | Very low | 37.1 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -71.8 | 15.7 | -166.6 | -38.3 | 0 | 0 | 0 | 0 | 117.5 | S74 | S72-S74 PolarHBondContact O-N 2.73Š|
| 73 | T | 42.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 1.1 | -162.2 | 46 | 0 | 0 | 0 | 0 | 115.9 | S71 | S71-T73 PolarHBondContact O-N 2.85Š|
| 74 | S | 42.7 | Very low | 38.2 | Very low | 38 Ų | 38 | 128 Ų | 128 | 27% | 0.266 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | 0.5 | -176.5 | -174.8 | 0 | 0 | 0 | 0 | 115.7 | S72 S76 Y77 R78 | S72-S74 PolarHBondContact O-N 2.73Å; S74-S76 PolarHBondContact O-N 3.11Å; S74-Y77 VanDerWaalsContact OG-CZ 3.22Å; S74-Y77 PolarHBondContact OG-OH 3.3Å; S74-R78 PolarHBondContact OG-NE 2.96Å |
| 75 | R | 39.7 | Very low | 38.7 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -22.4 | -163.4 | -87.7 | 179.6 | 159.6 | 154.5 | -5.1 | 116.7 | ||
| 76 | S | 38.9 | Very low | 39.5 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -15.6 | -168.3 | -161.4 | 0 | 0 | 0 | 0 | 116.3 | S74 | S74-S76 PolarHBondContact O-N 3.11Š|
| 77 | Y | 38.9 | Very low | 40 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -112.5 | -3 | -172.1 | 65.9 | -100.3 | 0 | 0 | 0 | 114.4 | S74 | S74-Y77 VanDerWaalsContact OG-CZ 3.22Å; S74-Y77 PolarHBondContact OG-OH 3.3Å |
| 78 | R | 46.2 | Very low | 40.5 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -95.9 | -16.5 | -178.2 | -68.6 | -173.1 | 171.8 | -145.7 | -9.9 | 114 | S74 | S74-R78 PolarHBondContact OG-NE 2.96Š|
| 79 | L | 42.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 120 Ų | 120 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.6 | -29.3 | -177.6 | -69.6 | 171 | 0 | 0 | 0 | 113 | R83 | L79-R83 PolarHBondContact O-N 3.42Å |
| 80 | D | 38.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.1 | -33.9 | 179.1 | -61 | -50 | 0 | 0 | 0 | 112.9 | V82 R83 N84 | D80-V82 VanDerWaalsContact C-N 3.32Å; D80-V82 PolarHBondContact O-N 3.36Å; D80-R83 PolarHBondContact O-N 3.26Å; D80-N84 PolarHBondContact O-N 2.93Å; D80-N84 PolarHBondContact O-ND2 3.45Å |
| 81 | A | 42.5 | Very low | 41.1 | Very low | 64 Ų | 64 | 117.5 Ų | 117.5 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.7 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 82 | V | 46.3 | Very low | 41 | Very low | 89 Ų | 89 | 116 Ų | 116 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -77.3 | -35.6 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 111 | D80 L85 | D80-V82 VanDerWaalsContact C-N 3.32Å; D80-V82 PolarHBondContact O-N 3.36Å; V82-L85 PolarHBondContact O-N 2.92Å |
| 83 | R | 40.7 | Very low | 41 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -41.2 | -178.9 | -159.1 | 175 | -156.7 | 140.5 | 6.5 | 112.8 | L79 D80 L85 V86 S87 | L79-R83 PolarHBondContact O-N 3.42Å; D80-R83 PolarHBondContact O-N 3.26Å; R83-L85 PolarHBondContact O-N 2.82Å; R83-V86 PolarHBondContact O-N 2.88Å; R83-S87 PolarHBondContact O-N 2.84Å |
| 84 | N | 41 | Very low | 40.4 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67 | -35.3 | -178.4 | -66 | -20.7 | 0 | 0 | 0 | 112.6 | D80 V86 S87 D88 | D80-N84 PolarHBondContact O-N 2.93Å; D80-N84 PolarHBondContact O-ND2 3.45Å; N84-V86 PolarHBondContact O-N 3.5Å; N84-S87 PolarHBondContact O-N 3.35Å; N84-D88 PolarHBondContact O-N 2.97Å |
| 85 | L | 46.7 | Very low | 39.9 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.4 | -18.5 | 174.9 | -72.9 | 166.6 | 0 | 0 | 0 | 114 | V82 R83 | V82-L85 PolarHBondContact O-N 2.92Å; R83-L85 PolarHBondContact O-N 2.82Å |
| 86 | V | 48.9 | Very low | 39.7 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -87.1 | -28.5 | 177.3 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | R83 N84 | R83-V86 PolarHBondContact O-N 2.88Å; N84-V86 PolarHBondContact O-N 3.5Å |
| 87 | S | 41.5 | Very low | 39.6 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.6 | -39.4 | -179.9 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | R83 N84 G89 | R83-S87 PolarHBondContact O-N 2.84Å; N84-S87 PolarHBondContact O-N 3.35Å; S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.39Å |
| 88 | D | 41.5 | Very low | 39.2 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -13.6 | -173.7 | -69.6 | -18.3 | 0 | 0 | 0 | 114.1 | N84 | N84-D88 PolarHBondContact O-N 2.97Š|
| 89 | G | 39 | Very low | 38.6 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -13.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S87 | S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.39Å |
| 90 | Y | 39.8 | Very low | 38.2 | Very low | 206 Ų | 206 | 131 Ų | 131 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -105.3 | -0.9 | -166.1 | -104.7 | -88 | 0 | 0 | 0 | 115.8 | G92 | Y90-G92 PolarHBondContact O-N 2.85Š|
| 91 | A | 34.9 | Very low | 38.3 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -83.9 | -2.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 92 | G | 34 | Very low | 37.8 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -101.3 | -24.6 | -160.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | Y90 | Y90-G92 PolarHBondContact O-N 2.85Š|
| 93 | F | 34.2 | Very low | 37.1 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 96% | 0.961 | 76% | 0.757 | S | S | * | * | trans | -141.5 | 80 | -163 | -100.1 | -94.3 | 0 | 0 | 0 | 113.7 | ||||
| 94 | A | 30.7 | Very low | 37 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -154.5 | 74.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 95 | K | 31.1 | Very low | 36.5 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -135.6 | 149.3 | 157.6 | -77 | -172.7 | 177.9 | 176.9 | 0 | 109.5 | ||||
| 96 | T | 35.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 92.4 | 87.2 | 175.7 | -44.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 97 | E | 36.9 | Very low | 34.8 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 63.8 | 116.7 | 133.9 | -58.5 | -175.1 | 173 | 0 | 0 | 122.1 | ||||
| 98 | Q | 29.6 | Very low | 34.1 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 155.8 | 162.6 | -68.5 | -170.6 | -19.2 | 0 | 0 | 112.5 | ||||
| 99 | P | 35.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | -125.2 | 161.4 | 129.5 | 34.1 | -25.4 | 0 | 0 | 0 | 114.2 | |||||
| 100 | K | 32.6 | Very low | 33 | Very low | 191 Ų | 191 | 160.2 Ų | 160.2 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -96.4 | 131.3 | -165.8 | -57.8 | 154.3 | 177.3 | 168.4 | 0 | 113.1 | ||||
| 101 | N | 41.3 | Very low | 32.7 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -171.7 | 104.7 | 151.9 | 35.1 | 13.6 | 0 | 0 | 0 | 111.4 | ||||
| 102 | N | 33 | Very low | 32.3 | Very low | 130 Ų | 130 | 157 Ų | 157 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | 87.4 | 113.5 | 66.3 | -163.6 | 20.3 | 0 | 0 | 0 | 114.1 | |||||
| 103 | R | 31.3 | Very low | 32.1 | Very low | 206 Ų | 206 | 159.1 Ų | 159.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | 66.5 | 121.3 | 158 | -77 | 159.2 | -176.3 | -174.7 | -1.4 | 117.5 | ||||
| 104 | K | 37.8 | Very low | 31.8 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -172.1 | 132.7 | 44.9 | -101.4 | 145.6 | 177.7 | -175.1 | 0 | 112.6 | ||||
| 105 | N | 30.9 | Very low | 31.9 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -1.9 | 105.8 | 154.6 | -52.6 | 2.5 | 0 | 0 | 0 | 119 | ||||
| 106 | G | 31.5 | Very low | 32.2 | Very low | 74 Ų | 74 | 153.5 Ų | 153.5 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -96.7 | 119.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y108 | G106-Y108 PolarHBondContact O-N 3.38Š| ||
| 107 | K | 28.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -88.8 | 101.8 | -167 | -168.7 | 175.7 | -172.6 | 175 | 0 | 111.3 | K109 | K107-K109 PolarHBondContact O-N 2.85Š| ||
| 108 | Y | 27.1 | Very low | 31.7 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -56.9 | 120.1 | 167.1 | -92.8 | -96.1 | 0 | 0 | 0 | 109.3 | G106 | G106-Y108 PolarHBondContact O-N 3.38Š| ||
| 109 | K | 32.7 | Very low | 31.7 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -94.1 | 107.1 | 169.4 | -75 | -175.4 | 178.3 | 179.4 | 0 | 108 | K107 V111 | K107-K109 PolarHBondContact O-N 2.85Å; K109-V111 PolarHBondContact O-N 3.2Å | ||
| 110 | E | 25.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -53.8 | 121.2 | 160.9 | -173.9 | -176.6 | 163.6 | 0 | 0 | 109.2 | T112 | E110-T112 HydrophobicContact CG-CG2 4.04Å; E110-T112 PolarHBondContact OE1-OG1 3.36Å | ||
| 111 | V | 32.5 | Very low | 31.4 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -113.2 | 78.4 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | K109 | K109-V111 PolarHBondContact O-N 3.2Š| ||
| 112 | T | 27.3 | Very low | 30.7 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 64% | 0.644 | 80% | 0.796 | S | S | * | * | trans | -91.4 | 95.1 | 169.1 | 37.1 | 0 | 0 | 0 | 0 | 109.7 | E110 | E110-T112 HydrophobicContact CG-CG2 4.04Å; E110-T112 PolarHBondContact OE1-OG1 3.36Å | ||
| 113 | S | 29.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -164.2 | 107.7 | 162.8 | -88 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 114 | A | 27.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | cis | 94.2 | 90.5 | 48.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 115 | K | 31.5 | Very low | 32.2 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -171.7 | 126.1 | 152.5 | -137.5 | 151.5 | -177.1 | 173.7 | 0 | 108.7 | ||||
| 116 | S | 37.5 | Very low | 34 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | cis | -142.3 | 155.7 | -5.6 | -83.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 117 | A | 30.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -68.7 | 138.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 118 | S | 32.8 | Very low | 39.2 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -150.3 | 93.8 | 146 | -156.4 | 0 | 0 | 0 | 0 | 110.1 | K120 | S118-K120 PolarHBondContact O-N 2.88Š| ||
| 119 | T | 28.5 | Very low | 42 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 83% | 0.828 | 68% | 0.675 | S | S | * | * | trans | -71.5 | 112.5 | 173.3 | -19.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 120 | K | 33.2 | Very low | 44.7 | Very low | 194 Ų | 194 | 109 Ų | 109 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | trans | -169.8 | 132.4 | 156.7 | -106.8 | 155 | -170.9 | -177.8 | 0 | 110.6 | S118 G122 | S118-K120 PolarHBondContact O-N 2.88Å; K120-G122 PolarHBondContact O-N 3.48Å | ||
| 121 | N | 28.3 | Very low | 47.7 | Very low | 179 Ų | 179 | 106.5 Ų | 106.5 | 96% | 0.957 | 63% | 0.632 | S | S | * | * | trans | -60.3 | 120 | 174 | -63.7 | -14 | 0 | 0 | 0 | 109.6 | ||||
| 122 | G | 27.7 | Very low | 50.3 | Low | 63 Ų | 63 | 104 Ų | 104 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | trans | -170.6 | 149.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K120 L124 | K120-G122 PolarHBondContact O-N 3.48Å; G122-L124 PolarHBondContact O-N 2.93Å | ||
| 123 | S | 31.9 | Very low | 53.2 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | trans | -47.6 | 136.4 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | S125 T138 | S123-S125 PolarHBondContact O-N 3.25Å; S123-T138 PolarHBondContact OG-O 2.86Å | ||
| 124 | L | 48 | Very low | 55.9 | Low | 171 Ų | 171 | 101.3 Ų | 101.3 | 90% | 0.895 | 61% | 0.611 | S | S | * | * | trans | -70.2 | 69.8 | 173.6 | -71.2 | 173.7 | 0 | 0 | 0 | 110.1 | G122 K126 | G122-L124 PolarHBondContact O-N 2.93Å; L124-K126 PolarHBondContact O-N 3.05Å | ||
| 125 | S | 53.5 | Low | 58.7 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | trans | -70 | 114.3 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | S123 K127 A137 | S123-S125 PolarHBondContact O-N 3.25Å; S125-K127 PolarHBondContact O-N 3.47Å; S125-A137 CarbonylContact C-O 3.52Å; S125-A137 WeakPolarHBondContact CA-O 3.46Å; S125-A137 WeakPolarHBondContact CB-O 3.34Å | ||
| 126 | K | 68.7 | Low | 61.1 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 28% | 0.278 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 106 | 178.8 | -69.9 | -172.3 | 159.7 | -152.4 | 0 | 109.4 | L124 A137 L144 C185 | L124-K126 PolarHBondContact O-N 3.05Å; K126-A137 HydrophobicContact CB-CB 4.25Å; K126-A137 PolarHBondContact N-O 3.36Å; K126-A137 VanDerWaalsContact N-O 3.13Å; K126-A137 VanDerWaalsContact O-CB 3.26Å; K126-A137 WeakPolarHBondContact O-CB 3.29Å; K126-A137 PolarHBondContact O-N 3Å; K126-L144 HydrophobicContact CB-CD2 4Å; K126-L144 HydrophobicContact CD-CD2 4.08Å; K126-C185 PolarHBondContact NZ-O 2.91Å |
| 127 | K | 81.7 | Confident | 63 | Low | 119 Ų | 119 | 88.6 Ų | 88.6 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.7 | 169.5 | 58.2 | 167.5 | -178.4 | 146.7 | 0 | 111.3 | S125 E129 F135 V136 | S125-K127 PolarHBondContact O-N 3.47Å; K127-E129 HydrophobicContact CD-CG 4.28Å; K127-E129 WeakPolarHBondContact CE-OE1 3.28Å; K127-E129 HydrophobicContact CG-CG 4.23Å; K127-E129 IonicContact NZ-OE1 2.63Å; K127-E129 PolarHBondContact NZ-OE1 3.05Å; K127-F135 WeakPolarHBondContact CA-O 3.45Å; K127-V136 HydrophobicContact CB-CG2 4.15Å |
| 128 | C | 86.7 | Confident | 64.6 | Low | 6 Ų | 6 | 88.5 Ų | 88.5 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | trans | -77.3 | 128.8 | 161.7 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | W130 F135 L144 | C128-W130 VanDerWaalsContact SG-CB 3.52Å; C128-F135 HydrophobicContact CB-CB 4.25Å; C128-F135 HydrophobicContact CB-CD1 4.48Å; C128-F135 PolarHBondContact N-O 3.15Å; C128-L144 HydrophobicContact CB-CD1 3.81Å | ||
| 129 | E | 87.1 | Confident | 65.7 | Low | 66 Ų | 66 | 88 Ų | 88 | 31% | 0.308 | 52% | 0.516 | S | S | . | . | trans | -105.3 | 25.9 | 176.6 | -35.1 | -175.7 | 117.1 | 0 | 0 | 112.4 | K127 W160 S161 | K127-E129 HydrophobicContact CD-CG 4.28Å; K127-E129 WeakPolarHBondContact CE-OE1 3.28Å; K127-E129 HydrophobicContact CG-CG 4.23Å; K127-E129 IonicContact NZ-OE1 2.63Å; K127-E129 PolarHBondContact NZ-OE1 3.05Å; E129-W160 HydrophobicContact CB-CD2 4.5Å; E129-W160 HydrophobicContact CB-CZ2 4.22Å; E129-W160 HydrophobicContact CG-CZ2 4.13Å; E129-W160 PolarHBondContact OE2-NE1 2.87Å; E129-W160 VanDerWaalsContact OE2-NE1 3.14Å; E129-S161 VanDerWaalsContact CB-OG 3.26Å; E129-S161 WeakPolarHBondContact CB-OG 3.31Å; E129-S161 PolarHBondContact O-N 2.78Å | ||
| 130 | W | 88.9 | Confident | 67.2 | Low | 11 Ų | 11 | 84 Ų | 84 | 4% | 0.042 | 49% | 0.494 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 136.4 | 168.9 | -159.9 | -78.9 | 0 | 0 | 0 | 109.9 | C128 G132 C133 H151 R157 L159 W160 V180 | C128-W130 VanDerWaalsContact SG-CB 3.52Å; W130-G132 PolarHBondContact O-N 3.3Å; W130-C133 HydrophobicContact CB-CB 3.92Å; W130-C133 WeakPolarHBondContact O-CB 3.46Å; W130-C133 PolarHBondContact O-N 3.01Å; W130-H151 AromaticContact CD1-CE1 3.65Å; W130-H151 AromaticContact CD1-CG 3.84Å; W130-H151 AromaticContact CD1-ND1 3.55Å; W130-H151 HydrophobicContact CD2-CB 3.57Å; W130-H151 AromaticContact CD2-CD2 3.9Å; W130-H151 AromaticContact CD2-CG 3.62Å; W130-H151 AromaticContact CE2-CG 3.86Å; W130-H151 HydrophobicContact CE3-CB 3.74Å; W130-H151 HydrophobicContact CG-CB 4.17Å; W130-H151 AromaticContact CG-CD2 3.67Å; W130-H151 AromaticContact CG-CG 3.66Å; W130-H151 AromaticContact CG-ND1 3.82Å; W130-H151 HydrophobicContact CH2-CB 3.97Å; W130-H151 HydrophobicContact CZ2-CB 3.8Å; W130-H151 HydrophobicContact CZ3-CB 3.93Å; W130-H151 AromaticContact NE1-CE1 3.51Å; W130-H151 AromaticContact NE1-CG 3.91Å; W130-H151 AromaticContact NE1-ND1 3.69Å; W130-R157 WeakPolarHBondContact CH2-O 3.12Å; W130-R157 WeakPolarHBondContact CZ2-O 3.45Å; W130-L159 HydrophobicContact CD2-CB 4.41Å; W130-L159 HydrophobicContact CG-CB 4.49Å; W130-L159 HydrophobicContact CZ2-CB 4.25Å; W130-L159 HydrophobicContact CZ2-CG 4.39Å; W130-W160 HydrophobicContact CE3-CE3 4.04Å; W130-V180 HydrophobicContact CH2-CG2 4.29Å; W130-V180 HydrophobicContact CZ3-CG1 3.92Å; W130-V180 HydrophobicContact CZ3-CG2 3.83Å |
| 131 | L | 88.5 | Confident | 69 | Low | 110 Ų | 110 | 76.8 Ų | 76.8 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126.1 | -176.8 | -167.8 | 150.8 | 0 | 0 | 0 | 111.1 | C133 L159 F166 | L131-C133 VanDerWaalsContact C-N 3.27Å; L131-C133 PolarHBondContact O-N 2.94Å; L131-L159 HydrophobicContact CB-CB 3.92Å; L131-L159 WeakPolarHBondContact CB-O 3.35Å; L131-L159 PolarHBondContact N-O 3.07Å; L131-F166 HydrophobicContact CD1-CE2 4.04Å; L131-F166 HydrophobicContact CD1-CZ 3.72Å |
| 132 | G | 86.1 | Confident | 71 | Confident | 77 Ų | 77 | 74 Ų | 74 | 79% | 0.794 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -0 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | W130 | W130-G132 PolarHBondContact O-N 3.3Š|
| 133 | C | 88.8 | Confident | 73.4 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | trans | -90.2 | 138.5 | 175.9 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | W130 L131 F135 H147 | W130-C133 HydrophobicContact CB-CB 3.92Å; W130-C133 WeakPolarHBondContact O-CB 3.46Å; W130-C133 PolarHBondContact O-N 3.01Å; L131-C133 VanDerWaalsContact C-N 3.27Å; L131-C133 PolarHBondContact O-N 2.94Å; C133-F135 VanDerWaalsContact SG-CB 3.6Å; C133-F135 PolarHBondContact SG-N 3.37Å; C133-F135 VanDerWaalsContact SG-N 3.4Å; C133-H147 PolarHBondContact SG-CE1 3.02Å; C133-H147 PolarHBondContact SG-NE2 2.89Å | ||
| 134 | T | 87.1 | Confident | 75.8 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 83% | 0.828 | 40% | 0.403 | S | S | * | . | trans | -116.2 | 10.3 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 135 | F | 86.1 | Confident | 77.5 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | trans | -70.8 | 133.8 | -176.2 | -177.7 | -97.3 | 0 | 0 | 0 | 112.5 | K127 C128 C133 A137 L144 H147 | K127-F135 WeakPolarHBondContact CA-O 3.45Å; C128-F135 HydrophobicContact CB-CB 4.25Å; C128-F135 HydrophobicContact CB-CD1 4.48Å; C128-F135 PolarHBondContact N-O 3.15Å; C133-F135 VanDerWaalsContact SG-CB 3.6Å; C133-F135 PolarHBondContact SG-N 3.37Å; C133-F135 VanDerWaalsContact SG-N 3.4Å; F135-A137 HydrophobicContact CE1-CB 4.08Å; F135-L144 HydrophobicContact CD1-CD1 4.43Å; F135-H147 WeakPolarHBondContact CB-CE1 3.4Å; F135-H147 WeakPolarHBondContact CB-NE2 3.39Å; F135-H147 HydrophobicContact CD1-CB 3.65Å; F135-H147 AromaticContact CD1-CD2 3.54Å; F135-H147 AromaticContact CD1-CG 3.28Å; F135-H147 AromaticContact CD1-ND1 3.7Å; F135-H147 AromaticContact CD2-ND1 3.61Å; F135-H147 HydrophobicContact CE1-CB 3.48Å; F135-H147 VanDerWaalsContact CE1-CB 3.48Å; F135-H147 AromaticContact CE1-CG 3.7Å; F135-H147 HydrophobicContact CE2-CB 4.37Å; F135-H147 HydrophobicContact CG-CB 4.17Å; F135-H147 AromaticContact CG-CD2 3.82Å; F135-H147 AromaticContact CG-CE1 3.63Å; F135-H147 AromaticContact CG-CG 3.46Å; F135-H147 VanDerWaalsContact CG-CG 3.46Å; F135-H147 AromaticContact CG-ND1 3.33Å; F135-H147 VanDerWaalsContact CG-ND1 3.33Å; F135-H147 WeakPolarHBondContact CG-ND1 3.46Å; F135-H147 AromaticContact CG-NE2 3.91Å; F135-H147 HydrophobicContact CZ-CB 3.88Å | ||
| 136 | V | 82.2 | Confident | 78.8 | Confident | 70 Ų | 70 | 65 Ų | 65 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115 | 176.4 | -178 | 0 | 0 | 0 | 0 | 109 | K127 T138 | K127-V136 HydrophobicContact CB-CG2 4.15Å; V136-T138 PolarHBondContact O-N 3.38Å |
| 137 | A | 75.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 118 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S125 K126 F135 S143 L144 | S125-A137 CarbonylContact C-O 3.52Å; S125-A137 WeakPolarHBondContact CA-O 3.46Å; S125-A137 WeakPolarHBondContact CB-O 3.34Å; K126-A137 HydrophobicContact CB-CB 4.25Å; K126-A137 PolarHBondContact N-O 3.36Å; K126-A137 VanDerWaalsContact N-O 3.13Å; K126-A137 VanDerWaalsContact O-CB 3.26Å; K126-A137 WeakPolarHBondContact O-CB 3.29Å; K126-A137 PolarHBondContact O-N 3Å; F135-A137 HydrophobicContact CE1-CB 4.08Å; A137-S143 VanDerWaalsContact CB-OG 3.23Å; A137-S143 WeakPolarHBondContact CB-OG 3.19Å; A137-L144 HydrophobicContact CB-CB 4.08Å |
| 138 | T | 65.3 | Low | 80 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -84.2 | -23.6 | -175.2 | 47 | 0 | 0 | 0 | 0 | 114.3 | S123 V136 | S123-T138 PolarHBondContact OG-O 2.86Å; V136-T138 PolarHBondContact O-N 3.38Å |
| 139 | S | 54.8 | Low | 79.9 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -138.6 | -27.7 | -162 | -44.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 140 | S | 61.8 | Low | 79.8 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | trans | -155.1 | 151.4 | -175.4 | 70 | 0 | 0 | 0 | 0 | 113.7 | E142 S143 | S140-E142 PolarHBondContact O-N 2.95Å; S140-S143 PolarHBondContact O-N 3.19Å; S140-S143 PolarHBondContact O-OG 3.33Å; S140-S143 PolarHBondContact OG-N 3.29Å | ||
| 141 | S | 69.9 | Low | 79.8 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -30.1 | 169.3 | 43 | 0 | 0 | 0 | 0 | 113 | L144 L145 T187 | S141-L144 WeakPolarHBondContact O-CB 3.32Å; S141-L144 PolarHBondContact O-N 3.01Å; S141-L145 PolarHBondContact O-N 3.45Å; S141-T187 VanDerWaalsContact CB-CG2 3.43Å |
| 142 | E | 71.5 | Confident | 79.6 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 174.9 | -175.1 | 177.6 | -159.1 | 0 | 0 | 112.3 | S140 L144 L145 L146 | S140-E142 PolarHBondContact O-N 2.95Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.03Å; E142-L145 WeakPolarHBondContact O-CB 3.4Å; E142-L145 PolarHBondContact O-N 3.11Å; E142-L145 VanDerWaalsContact O-N 3.16Å; E142-L146 HydrophobicContact CG-CD1 4.36Å; E142-L146 WeakPolarHBondContact O-CG 3.22Å; E142-L146 PolarHBondContact O-N 3.18Å |
| 143 | S | 77 | Confident | 79.5 | Confident | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.2 | 69 | 0 | 0 | 0 | 0 | 112.9 | A137 S140 H147 | A137-S143 VanDerWaalsContact CB-OG 3.23Å; A137-S143 WeakPolarHBondContact CB-OG 3.19Å; S140-S143 PolarHBondContact O-N 3.19Å; S140-S143 PolarHBondContact O-OG 3.33Å; S140-S143 PolarHBondContact OG-N 3.29Å; S143-H147 VanDerWaalsContact O-CB 3.31Å; S143-H147 WeakPolarHBondContact O-CB 3.36Å; S143-H147 PolarHBondContact O-N 2.79Å; S143-H147 VanDerWaalsContact O-N 3.17Å |
| 144 | L | 81.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.4 | -46.1 | 170.7 | -177.5 | 68.8 | 0 | 0 | 0 | 111.3 | K126 C128 F135 A137 S141 E142 L146 H147 V148 W160 | K126-L144 HydrophobicContact CB-CD2 4Å; K126-L144 HydrophobicContact CD-CD2 4.08Å; C128-L144 HydrophobicContact CB-CD1 3.81Å; F135-L144 HydrophobicContact CD1-CD1 4.43Å; A137-L144 HydrophobicContact CB-CB 4.08Å; S141-L144 WeakPolarHBondContact O-CB 3.32Å; S141-L144 PolarHBondContact O-N 3.01Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.03Å; L144-L146 PolarHBondContact O-N 2.94Å; L144-H147 WeakPolarHBondContact O-CB 3.5Å; L144-H147 PolarHBondContact O-N 3.32Å; L144-V148 HydrophobicContact CD1-CG2 3.86Å; L144-V148 HydrophobicContact CG-CG2 4.03Å; L144-V148 WeakPolarHBondContact O-CB 3.33Å; L144-V148 VanDerWaalsContact O-CG2 3.23Å; L144-V148 WeakPolarHBondContact O-CG2 3.36Å; L144-V148 PolarHBondContact O-N 3.32Å; L144-W160 HydrophobicContact CD2-CH2 4.48Å |
| 145 | L | 83.3 | Confident | 78.8 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.7 | -51.1 | 177.5 | -79.1 | 161.3 | 0 | 0 | 0 | 111.7 | S141 E142 H147 V148 Q149 V181 C185 | S141-L145 PolarHBondContact O-N 3.45Å; E142-L145 WeakPolarHBondContact O-CB 3.4Å; E142-L145 PolarHBondContact O-N 3.11Å; E142-L145 VanDerWaalsContact O-N 3.16Å; L145-H147 VanDerWaalsContact C-N 3.29Å; L145-H147 PolarHBondContact O-N 3.32Å; L145-V148 PolarHBondContact O-N 2.87Å; L145-Q149 WeakPolarHBondContact O-CB 3.49Å; L145-Q149 PolarHBondContact O-N 3.22Å; L145-V181 HydrophobicContact CD2-CB 4.47Å; L145-V181 HydrophobicContact CD2-CG1 3.94Å; L145-V181 HydrophobicContact CD2-CG2 4.15Å; L145-C185 HydrophobicContact CD2-CB 3.3Å; L145-C185 HydrophobicContact CG-CB 3.93Å |
| 146 | L | 82.5 | Confident | 78.6 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -36 | 177.6 | -68.9 | 174.3 | 0 | 0 | 0 | 112.6 | E142 L144 | E142-L146 HydrophobicContact CG-CD1 4.36Å; E142-L146 WeakPolarHBondContact O-CG 3.22Å; E142-L146 PolarHBondContact O-N 3.18Å; L144-L146 PolarHBondContact O-N 2.94Å |
| 147 | H | 87.1 | Confident | 78.9 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -51.1 | 174.1 | 168.3 | 79.3 | 0 | 0 | 0 | 111.7 | C133 F135 S143 L144 L145 Q149 R150 H151 | C133-H147 PolarHBondContact SG-CE1 3.02Å; C133-H147 PolarHBondContact SG-NE2 2.89Å; F135-H147 WeakPolarHBondContact CB-CE1 3.4Å; F135-H147 WeakPolarHBondContact CB-NE2 3.39Å; F135-H147 HydrophobicContact CD1-CB 3.65Å; F135-H147 AromaticContact CD1-CD2 3.54Å; F135-H147 AromaticContact CD1-CG 3.28Å; F135-H147 AromaticContact CD1-ND1 3.7Å; F135-H147 AromaticContact CD2-ND1 3.61Å; F135-H147 HydrophobicContact CE1-CB 3.48Å; F135-H147 VanDerWaalsContact CE1-CB 3.48Å; F135-H147 AromaticContact CE1-CG 3.7Å; F135-H147 HydrophobicContact CE2-CB 4.37Å; F135-H147 HydrophobicContact CG-CB 4.17Å; F135-H147 AromaticContact CG-CD2 3.82Å; F135-H147 AromaticContact CG-CE1 3.63Å; F135-H147 AromaticContact CG-CG 3.46Å; F135-H147 VanDerWaalsContact CG-CG 3.46Å; F135-H147 AromaticContact CG-ND1 3.33Å; F135-H147 VanDerWaalsContact CG-ND1 3.33Å; F135-H147 WeakPolarHBondContact CG-ND1 3.46Å; F135-H147 AromaticContact CG-NE2 3.91Å; F135-H147 HydrophobicContact CZ-CB 3.88Å; S143-H147 VanDerWaalsContact O-CB 3.31Å; S143-H147 WeakPolarHBondContact O-CB 3.36Å; S143-H147 PolarHBondContact O-N 2.79Å; S143-H147 VanDerWaalsContact O-N 3.17Å; L144-H147 WeakPolarHBondContact O-CB 3.5Å; L144-H147 PolarHBondContact O-N 3.32Å; L145-H147 VanDerWaalsContact C-N 3.29Å; L145-H147 PolarHBondContact O-N 3.32Å; H147-Q149 PolarHBondContact O-N 3.09Å; H147-R150 VanDerWaalsContact O-CB 3.31Å; H147-R150 WeakPolarHBondContact O-CB 3.25Å; H147-R150 PolarHBondContact O-N 3.04Å; H147-H151 AromaticContact NE2-CD2 3.54Å |
| 148 | V | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -28.1 | -176.6 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | L144 L145 R150 H151 I152 W160 V180 | L144-V148 HydrophobicContact CD1-CG2 3.86Å; L144-V148 HydrophobicContact CG-CG2 4.03Å; L144-V148 WeakPolarHBondContact O-CB 3.33Å; L144-V148 VanDerWaalsContact O-CG2 3.23Å; L144-V148 WeakPolarHBondContact O-CG2 3.36Å; L144-V148 PolarHBondContact O-N 3.32Å; L145-V148 PolarHBondContact O-N 2.87Å; V148-R150 PolarHBondContact O-N 3.43Å; V148-H151 WeakPolarHBondContact O-CB 3.06Å; V148-H151 PolarHBondContact O-N 2.87Å; V148-I152 HydrophobicContact CG1-CD1 4.09Å; V148-I152 PolarHBondContact O-N 3.4Å; V148-W160 HydrophobicContact CG1-CZ3 4.05Å; V148-W160 HydrophobicContact CG2-CH2 4.12Å; V148-W160 HydrophobicContact CG2-CZ3 3.69Å; V148-V180 HydrophobicContact CG1-CG1 3.17Å |
| 149 | Q | 85 | Confident | 80.7 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.2 | -31.9 | 171.1 | -168.2 | 165.7 | -9.9 | 0 | 0 | 112.7 | L145 H147 I152 T153 | L145-Q149 WeakPolarHBondContact O-CB 3.49Å; L145-Q149 PolarHBondContact O-N 3.22Å; H147-Q149 PolarHBondContact O-N 3.09Å; Q149-I152 PolarHBondContact O-N 3.2Å; Q149-T153 WeakPolarHBondContact O-CG2 3.29Å; Q149-T153 PolarHBondContact O-N 2.86Å; Q149-T153 PolarHBondContact O-OG1 3.45Å |
| 150 | R | 85.2 | Confident | 82.3 | Confident | 159 Ų | 159 | 59.9 Ų | 59.9 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | 173.7 | -58.7 | -172 | 179.2 | 97.9 | -2.9 | 112.3 | H147 V148 T153 V154 | H147-R150 VanDerWaalsContact O-CB 3.31Å; H147-R150 WeakPolarHBondContact O-CB 3.25Å; H147-R150 PolarHBondContact O-N 3.04Å; V148-R150 PolarHBondContact O-N 3.43Å; R150-T153 WeakPolarHBondContact CA-OG1 3.49Å; R150-T153 PolarHBondContact O-N 3.4Å; R150-T153 PolarHBondContact O-OG1 2.99Å; R150-V154 WeakPolarHBondContact O-CG2 3.39Å; R150-V154 PolarHBondContact O-N 3.41Å |
| 151 | H | 87.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.4 | -69.9 | -55.5 | 0 | 0 | 0 | 111.8 | W130 H147 V148 T153 V154 G155 | W130-H151 AromaticContact CD1-CE1 3.65Å; W130-H151 AromaticContact CD1-CG 3.84Å; W130-H151 AromaticContact CD1-ND1 3.55Å; W130-H151 HydrophobicContact CD2-CB 3.57Å; W130-H151 AromaticContact CD2-CD2 3.9Å; W130-H151 AromaticContact CD2-CG 3.62Å; W130-H151 AromaticContact CE2-CG 3.86Å; W130-H151 HydrophobicContact CE3-CB 3.74Å; W130-H151 HydrophobicContact CG-CB 4.17Å; W130-H151 AromaticContact CG-CD2 3.67Å; W130-H151 AromaticContact CG-CG 3.66Å; W130-H151 AromaticContact CG-ND1 3.82Å; W130-H151 HydrophobicContact CH2-CB 3.97Å; W130-H151 HydrophobicContact CZ2-CB 3.8Å; W130-H151 HydrophobicContact CZ3-CB 3.93Å; W130-H151 AromaticContact NE1-CE1 3.51Å; W130-H151 AromaticContact NE1-CG 3.91Å; W130-H151 AromaticContact NE1-ND1 3.69Å; H147-H151 AromaticContact NE2-CD2 3.54Å; V148-H151 WeakPolarHBondContact O-CB 3.06Å; V148-H151 PolarHBondContact O-N 2.87Å; H151-T153 VanDerWaalsContact C-N 3.34Å; H151-T153 PolarHBondContact O-N 3.09Å; H151-V154 PolarHBondContact O-N 2.97Å; H151-G155 WeakPolarHBondContact O-CA 3.02Å; H151-G155 PolarHBondContact O-N 3.47Å |
| 152 | I | 85.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 175.9 | -64 | 156.1 | 0 | 0 | 0 | 111.7 | V148 Q149 N173 R177 V180 | V148-I152 HydrophobicContact CG1-CD1 4.09Å; V148-I152 PolarHBondContact O-N 3.4Å; Q149-I152 PolarHBondContact O-N 3.2Å; I152-N173 PolarHBondContact O-ND2 2.96Å; I152-R177 HydrophobicContact CD1-CG 4.49Å; I152-R177 HydrophobicContact CG2-CB 3.83Å; I152-R177 HydrophobicContact CG2-CG 4.34Å; I152-V180 HydrophobicContact CD1-CB 3.95Å; I152-V180 HydrophobicContact CD1-CG1 3.82Å; I152-V180 HydrophobicContact CG1-CB 4.1Å; I152-V180 HydrophobicContact CG1-CG1 4.05Å; I152-V180 HydrophobicContact CG1-CG2 4.43Å |
| 153 | T | 84 | Confident | 84.5 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.1 | -29.6 | 178.5 | 48 | 0 | 0 | 0 | 0 | 113.9 | Q149 R150 H151 | Q149-T153 WeakPolarHBondContact O-CG2 3.29Å; Q149-T153 PolarHBondContact O-N 2.86Å; Q149-T153 PolarHBondContact O-OG1 3.45Å; R150-T153 WeakPolarHBondContact CA-OG1 3.49Å; R150-T153 PolarHBondContact O-N 3.4Å; R150-T153 PolarHBondContact O-OG1 2.99Å; H151-T153 VanDerWaalsContact C-N 3.34Å; H151-T153 PolarHBondContact O-N 3.09Å |
| 154 | V | 83.2 | Confident | 84.8 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -92.1 | -34.1 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | R150 H151 | R150-V154 WeakPolarHBondContact O-CG2 3.39Å; R150-V154 PolarHBondContact O-N 3.41Å; H151-V154 PolarHBondContact O-N 2.97Å |
| 155 | G | 78.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 22% | 0.216 | 36% | 0.355 | C | S | . | . | trans | -89.5 | 148.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H151 L176 | H151-G155 WeakPolarHBondContact O-CA 3.02Å; H151-G155 PolarHBondContact O-N 3.47Å; G155-L176 VanDerWaalsContact O-CD2 3.27Å; G155-L176 WeakPolarHBondContact O-CD2 3.22Å | ||
| 156 | T | 81.3 | Confident | 85 | Confident | 95 Ų | 95 | 62.1 Ų | 62.1 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -105.8 | 6.5 | 166.4 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | A170 | T156-A170 WeakPolarHBondContact O-CB 3.42Å; T156-A170 PolarHBondContact O-N 3.38Å |
| 157 | R | 87.7 | Confident | 85.1 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -142.3 | 152.8 | -173.1 | -49 | -174.6 | -174.1 | -178.1 | 0.6 | 110.2 | W130 L159 D167 | W130-R157 WeakPolarHBondContact CH2-O 3.12Å; W130-R157 WeakPolarHBondContact CZ2-O 3.45Å; R157-L159 HydrophobicContact CB-CD2 4.49Å; R157-D167 WeakPolarHBondContact CD-OD1 3.33Å; R157-D167 IonicContact CZ-OD1 2.72Å; R157-D167 IonicContact NE-OD1 3.58Å; R157-D167 VanDerWaalsContact NH1-CG 3.26Å; R157-D167 IonicContact NH1-OD1 3.1Å; R157-D167 PolarHBondContact NH1-OD1 2.86Å; R157-D167 IonicContact NH1-OD2 2.65Å; R157-D167 PolarHBondContact NH1-OD2 3.3Å; R157-D167 VanDerWaalsContact NH1-OD2 3.1Å |
| 158 | C | 87.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 121.7 | 169.2 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | S165 F166 D167 L176 H184 | C158-S165 VanDerWaalsContact CB-OG 3.29Å; C158-S165 WeakPolarHBondContact CB-OG 3.39Å; C158-F166 CarbonylContact O-C 3.55Å; C158-F166 WeakPolarHBondContact O-CA 3.4Å; C158-D167 PolarHBondContact O-N 3.36Å; C158-L176 HydrophobicContact CB-CD1 3.94Å; C158-H184 PolarHBondContact SG-NE2 3.01Å; C158-H184 VanDerWaalsContact SG-NE2 3.37Å |
| 159 | L | 90.9 | Very high | 84.7 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 25% | 0.246 | 40% | 0.402 | C | S | . | . | trans | -112.9 | 25.2 | 174.7 | -54.7 | 176.8 | 0 | 0 | 0 | 112 | W130 L131 R157 F166 D167 | W130-L159 HydrophobicContact CD2-CB 4.41Å; W130-L159 HydrophobicContact CG-CB 4.49Å; W130-L159 HydrophobicContact CZ2-CB 4.25Å; W130-L159 HydrophobicContact CZ2-CG 4.39Å; L131-L159 HydrophobicContact CB-CB 3.92Å; L131-L159 WeakPolarHBondContact CB-O 3.35Å; L131-L159 PolarHBondContact N-O 3.07Å; R157-L159 HydrophobicContact CB-CD2 4.49Å; L159-F166 HydrophobicContact CB-CE2 4.36Å; L159-F166 HydrophobicContact CD2-CE2 4.46Å; L159-D167 HydrophobicContact CD2-CB 4.39Å | ||
| 160 | W | 88.2 | Confident | 84.4 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 128.7 | 177.9 | -158.8 | -73.7 | 0 | 0 | 0 | 111.1 | E129 W130 L144 V148 G162 C163 F166 H184 | E129-W160 HydrophobicContact CB-CD2 4.5Å; E129-W160 HydrophobicContact CB-CZ2 4.22Å; E129-W160 HydrophobicContact CG-CZ2 4.13Å; E129-W160 PolarHBondContact OE2-NE1 2.87Å; E129-W160 VanDerWaalsContact OE2-NE1 3.14Å; W130-W160 HydrophobicContact CE3-CE3 4.04Å; L144-W160 HydrophobicContact CD2-CH2 4.48Å; V148-W160 HydrophobicContact CG1-CZ3 4.05Å; V148-W160 HydrophobicContact CG2-CH2 4.12Å; V148-W160 HydrophobicContact CG2-CZ3 3.69Å; W160-G162 PolarHBondContact O-N 2.86Å; W160-C163 HydrophobicContact CB-CB 4.19Å; W160-C163 VanDerWaalsContact O-CB 3.23Å; W160-C163 WeakPolarHBondContact O-CB 3.49Å; W160-C163 PolarHBondContact O-N 3.06Å; W160-C163 VanDerWaalsContact O-N 3.13Å; W160-F166 WeakPolarHBondContact O-CD2 3.41Å; W160-H184 AromaticContact CD1-CE1 3.91Å; W160-H184 AromaticContact CD1-CG 3.95Å; W160-H184 AromaticContact CD1-ND1 3.58Å; W160-H184 HydrophobicContact CD2-CB 3.45Å; W160-H184 VanDerWaalsContact CD2-CB 3.45Å; W160-H184 AromaticContact CD2-CD2 3.81Å; W160-H184 AromaticContact CD2-CG 3.44Å; W160-H184 VanDerWaalsContact CD2-CG 3.44Å; W160-H184 AromaticContact CD2-ND1 3.91Å; W160-H184 AromaticContact CE2-CG 3.91Å; W160-H184 HydrophobicContact CE3-CB 3.45Å; W160-H184 VanDerWaalsContact CE3-CB 3.45Å; W160-H184 AromaticContact CE3-CD2 3.88Å; W160-H184 AromaticContact CE3-CG 3.74Å; W160-H184 HydrophobicContact CG-CB 4.09Å; W160-H184 AromaticContact CG-CD2 3.7Å; W160-H184 AromaticContact CG-CE1 3.76Å; W160-H184 AromaticContact CG-CG 3.54Å; W160-H184 AromaticContact CG-ND1 3.58Å; W160-H184 AromaticContact CG-NE2 3.86Å; W160-H184 HydrophobicContact CH2-CB 3.78Å; W160-H184 HydrophobicContact CZ2-CB 3.79Å; W160-H184 HydrophobicContact CZ3-CB 3.62Å; W160-H184 AromaticContact NE1-ND1 3.94Å |
| 161 | S | 84.7 | Confident | 84 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.1 | -176.8 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | E129 C163 | E129-S161 VanDerWaalsContact CB-OG 3.26Å; E129-S161 WeakPolarHBondContact CB-OG 3.31Å; E129-S161 PolarHBondContact O-N 2.78Å; S161-C163 VanDerWaalsContact C-N 3.29Å; S161-C163 PolarHBondContact O-N 3.1Å |
| 162 | G | 82.2 | Confident | 83.6 | Confident | 88 Ų | 88 | 75.4 Ų | 75.4 | 91% | 0.907 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 2.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W160 | W160-G162 PolarHBondContact O-N 2.86Š|
| 163 | C | 84.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | trans | -70.5 | 133.3 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | W160 S161 S165 F166 H179 H184 | W160-C163 HydrophobicContact CB-CB 4.19Å; W160-C163 VanDerWaalsContact O-CB 3.23Å; W160-C163 WeakPolarHBondContact O-CB 3.49Å; W160-C163 PolarHBondContact O-N 3.06Å; W160-C163 VanDerWaalsContact O-N 3.13Å; S161-C163 VanDerWaalsContact C-N 3.29Å; S161-C163 PolarHBondContact O-N 3.1Å; C163-S165 PolarHBondContact O-N 2.69Å; C163-S165 VanDerWaalsContact O-N 3.1Å; C163-S165 PolarHBondContact SG-N 3.22Å; C163-S165 PolarHBondContact SG-OG 2.89Å; C163-F166 HydrophobicContact CB-CB 4.42Å; C163-F166 WeakPolarHBondContact O-CB 3.48Å; C163-F166 PolarHBondContact O-N 3.26Å; C163-H179 VanDerWaalsContact SG-CE1 3.55Å; C163-H179 PolarHBondContact SG-NE2 3.4Å; C163-H184 PolarHBondContact SG-CE1 3.4Å; C163-H184 PolarHBondContact SG-NE2 3.13Å; C163-H184 VanDerWaalsContact SG-NE2 3.37Å | ||
| 164 | A | 81.7 | Confident | 83.4 | Confident | 91 Ų | 91 | 82.4 Ų | 82.4 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K168 | A164-K168 PolarHBondContact O-NZ 2.94Š|
| 165 | S | 83 | Confident | 83.6 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.6 | 174.5 | 92.2 | 0 | 0 | 0 | 0 | 113.9 | C158 C163 D167 K168 H179 | C158-S165 VanDerWaalsContact CB-OG 3.29Å; C158-S165 WeakPolarHBondContact CB-OG 3.39Å; C163-S165 PolarHBondContact O-N 2.69Å; C163-S165 VanDerWaalsContact O-N 3.1Å; C163-S165 PolarHBondContact SG-N 3.22Å; C163-S165 PolarHBondContact SG-OG 2.89Å; S165-D167 PolarHBondContact O-N 3.28Å; S165-K168 VanDerWaalsContact O-CB 3.29Å; S165-K168 WeakPolarHBondContact O-CB 3.36Å; S165-K168 WeakPolarHBondContact O-CG 3.44Å; S165-K168 PolarHBondContact O-N 3.41Å; S165-H179 PolarHBondContact OG-CD2 3.43Å; S165-H179 VanDerWaalsContact OG-CD2 3.31Å; S165-H179 PolarHBondContact OG-NE2 2.81Å |
| 166 | F | 86.1 | Confident | 84.1 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -50.4 | 130.8 | -176.5 | -177 | -93.6 | 0 | 0 | 0 | 112.9 | L131 C158 L159 W160 C163 K168 | L131-F166 HydrophobicContact CD1-CE2 4.04Å; L131-F166 HydrophobicContact CD1-CZ 3.72Å; C158-F166 CarbonylContact O-C 3.55Å; C158-F166 WeakPolarHBondContact O-CA 3.4Å; L159-F166 HydrophobicContact CB-CE2 4.36Å; L159-F166 HydrophobicContact CD2-CE2 4.46Å; W160-F166 WeakPolarHBondContact O-CD2 3.41Å; C163-F166 HydrophobicContact CB-CB 4.42Å; C163-F166 WeakPolarHBondContact O-CB 3.48Å; C163-F166 PolarHBondContact O-N 3.26Å; F166-K168 PolarHBondContact O-N 3.15Å |
| 167 | D | 86.3 | Confident | 84.3 | Confident | 72 Ų | 72 | 81.5 Ų | 81.5 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 12.1 | -175.6 | -157.7 | 39.4 | 0 | 0 | 0 | 116.2 | R157 C158 L159 S165 | R157-D167 WeakPolarHBondContact CD-OD1 3.33Å; R157-D167 IonicContact CZ-OD1 2.72Å; R157-D167 IonicContact NE-OD1 3.58Å; R157-D167 VanDerWaalsContact NH1-CG 3.26Å; R157-D167 IonicContact NH1-OD1 3.1Å; R157-D167 PolarHBondContact NH1-OD1 2.86Å; R157-D167 IonicContact NH1-OD2 2.65Å; R157-D167 PolarHBondContact NH1-OD2 3.3Å; R157-D167 VanDerWaalsContact NH1-OD2 3.1Å; C158-D167 PolarHBondContact O-N 3.36Å; L159-D167 HydrophobicContact CD2-CB 4.39Å; S165-D167 PolarHBondContact O-N 3.28Å |
| 168 | K | 82.9 | Confident | 84 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 132.4 | 175.7 | -61.3 | -177.7 | -172.3 | 162.3 | 0 | 110.5 | A164 S165 F166 A170 | A164-K168 PolarHBondContact O-NZ 2.94Å; S165-K168 VanDerWaalsContact O-CB 3.29Å; S165-K168 WeakPolarHBondContact O-CB 3.36Å; S165-K168 WeakPolarHBondContact O-CG 3.44Å; S165-K168 PolarHBondContact O-N 3.41Å; F166-K168 PolarHBondContact O-N 3.15Å; K168-A170 PolarHBondContact O-N 3.29Å |
| 169 | P | 81.5 | Confident | 83.9 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | B | Isolated β-bridge | trans | -69.6 | 122.4 | 179.3 | 27 | -33.5 | 0 | 0 | 0 | 112 | R171 | P169-R171 PolarHBondContact O-N 2.93Å |
| 170 | A | 80.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 78.6 Ų | 78.6 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T156 K168 K172 W175 L176 | T156-A170 WeakPolarHBondContact O-CB 3.42Å; T156-A170 PolarHBondContact O-N 3.38Å; K168-A170 PolarHBondContact O-N 3.29Å; A170-K172 PolarHBondContact O-N 3.47Å; A170-W175 HydrophobicContact CB-CE3 3.39Å; A170-W175 HydrophobicContact CB-CZ3 3.72Å; A170-L176 HydrophobicContact CB-CB 3.9Å |
| 171 | R | 76.2 | Confident | 83.4 | Confident | 247 Ų | 247 | 80.1 Ų | 80.1 | 93% | 0.932 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -68.8 | -20.8 | 173.1 | -67.9 | -172.7 | 179.3 | -169.8 | -0 | 113.6 | P169 | P169-R171 PolarHBondContact O-N 2.93Š|
| 172 | K | 79.6 | Confident | 82.9 | Confident | 156 Ų | 156 | 80.6 Ų | 80.6 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -146.3 | 141 | 178.8 | -65.5 | -174.6 | 178.1 | -178.1 | 0 | 109.3 | A170 R174 W175 L176 | A170-K172 PolarHBondContact O-N 3.47Å; K172-R174 PolarHBondContact O-N 3.21Å; K172-W175 PolarHBondContact O-N 2.92Å; K172-W175 VanDerWaalsContact O-N 3.08Å; K172-L176 PolarHBondContact O-N 3.15Å |
| 173 | N | 81.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 83 Ų | 83 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.1 | -34.4 | 175.3 | -172.5 | -89.1 | 0 | 0 | 0 | 112.2 | I152 W175 L176 R177 | I152-N173 PolarHBondContact O-ND2 2.96Å; N173-W175 PolarHBondContact O-N 3.39Å; N173-L176 PolarHBondContact O-N 3.38Å; N173-L176 VanDerWaalsContact O-N 3.11Å; N173-R177 PolarHBondContact O-N 2.89Å; N173-R177 PolarHBondContact OD1-NH2 2.74Å |
| 174 | R | 84.2 | Confident | 82.6 | Confident | 181 Ų | 181 | 83.8 Ų | 83.8 | 68% | 0.683 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.4 | -47.6 | 172.8 | -177.9 | 172 | 179.5 | 179.1 | 2.1 | 112.5 | K172 L176 R177 D178 | K172-R174 PolarHBondContact O-N 3.21Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 3.28Å; R174-R177 WeakPolarHBondContact O-CB 3.45Å; R174-R177 PolarHBondContact O-N 2.93Å; R174-D178 VanDerWaalsContact CG-OD2 3.25Å; R174-D178 WeakPolarHBondContact CG-OD2 3.36Å; R174-D178 IonicContact NE-OD2 2.75Å; R174-D178 WeakPolarHBondContact O-CB 3.37Å; R174-D178 PolarHBondContact O-N 3.05Å |
| 175 | W | 86.9 | Confident | 82.4 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.3 | 173.4 | 88.5 | 0 | 0 | 0 | 112 | A170 K172 N173 H179 | A170-W175 HydrophobicContact CB-CE3 3.39Å; A170-W175 HydrophobicContact CB-CZ3 3.72Å; K172-W175 PolarHBondContact O-N 2.92Å; K172-W175 VanDerWaalsContact O-N 3.08Å; N173-W175 PolarHBondContact O-N 3.39Å; W175-H179 HydrophobicContact CZ2-CB 4.43Å; W175-H179 WeakPolarHBondContact O-CB 3.31Å; W175-H179 PolarHBondContact O-N 2.92Å |
| 176 | L | 87.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 179.3 | -176.3 | 62.7 | 0 | 0 | 0 | 111.3 | G155 C158 A170 K172 N173 R174 V180 | G155-L176 VanDerWaalsContact O-CD2 3.27Å; G155-L176 WeakPolarHBondContact O-CD2 3.22Å; C158-L176 HydrophobicContact CB-CD1 3.94Å; A170-L176 HydrophobicContact CB-CB 3.9Å; K172-L176 PolarHBondContact O-N 3.15Å; N173-L176 PolarHBondContact O-N 3.38Å; N173-L176 VanDerWaalsContact O-N 3.11Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 3.28Å; L176-V180 HydrophobicContact CD1-CG2 3.77Å; L176-V180 HydrophobicContact CG-CG2 4.26Å; L176-V180 WeakPolarHBondContact O-CB 3.35Å; L176-V180 WeakPolarHBondContact O-CG2 3.5Å; L176-V180 PolarHBondContact O-N 2.64Å |
| 177 | R | 85.5 | Confident | 79.9 | Confident | 114 Ų | 114 | 82.1 Ų | 82.1 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -58.9 | 176.1 | -172.6 | -174.6 | -54.6 | 176.4 | 4.5 | 110.9 | I152 N173 R174 H179 V180 V181 | I152-R177 HydrophobicContact CD1-CG 4.49Å; I152-R177 HydrophobicContact CG2-CB 3.83Å; I152-R177 HydrophobicContact CG2-CG 4.34Å; N173-R177 PolarHBondContact O-N 2.89Å; N173-R177 PolarHBondContact OD1-NH2 2.74Å; R174-R177 WeakPolarHBondContact O-CB 3.45Å; R174-R177 PolarHBondContact O-N 2.93Å; R177-H179 VanDerWaalsContact C-N 3.33Å; R177-H179 PolarHBondContact O-N 2.86Å; R177-V180 PolarHBondContact O-N 3.48Å; R177-V181 HydrophobicContact CG-CG2 4.4Å; R177-V181 WeakPolarHBondContact O-CB 3.44Å; R177-V181 VanDerWaalsContact O-CG2 3.31Å; R177-V181 WeakPolarHBondContact O-CG2 3.34Å; R177-V181 PolarHBondContact O-N 2.69Å |
| 178 | D | 82.3 | Confident | 78.3 | Confident | 62 Ų | 62 | 88.5 Ų | 88.5 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | -177.9 | -53.6 | -6.8 | 0 | 0 | 0 | 108.8 | R174 V180 D182 | R174-D178 VanDerWaalsContact CG-OD2 3.25Å; R174-D178 WeakPolarHBondContact CG-OD2 3.36Å; R174-D178 IonicContact NE-OD2 2.75Å; R174-D178 WeakPolarHBondContact O-CB 3.37Å; R174-D178 PolarHBondContact O-N 3.05Å; D178-V180 PolarHBondContact O-N 3.36Å; D178-D182 WeakPolarHBondContact O-CB 3.32Å; D178-D182 PolarHBondContact O-N 2.85Å; D178-D182 VanDerWaalsContact O-OD1 3.1Å |
| 179 | H | 85.8 | Confident | 77.7 | Confident | 32 Ų | 32 | 84.6 Ų | 84.6 | 15% | 0.148 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.3 | -46.5 | 175.2 | 173.6 | 55.9 | 0 | 0 | 0 | 114 | C163 S165 W175 R177 R183 H184 | C163-H179 VanDerWaalsContact SG-CE1 3.55Å; C163-H179 PolarHBondContact SG-NE2 3.4Å; S165-H179 PolarHBondContact OG-CD2 3.43Å; S165-H179 VanDerWaalsContact OG-CD2 3.31Å; S165-H179 PolarHBondContact OG-NE2 2.81Å; W175-H179 HydrophobicContact CZ2-CB 4.43Å; W175-H179 WeakPolarHBondContact O-CB 3.31Å; W175-H179 PolarHBondContact O-N 2.92Å; R177-H179 VanDerWaalsContact C-N 3.33Å; R177-H179 PolarHBondContact O-N 2.86Å; H179-R183 WeakPolarHBondContact O-CB 3.5Å; H179-R183 WeakPolarHBondContact O-CG 3.29Å; H179-R183 PolarHBondContact O-N 3.06Å; H179-H184 AromaticContact CE1-NE2 3.95Å; H179-H184 AromaticContact NE2-NE2 3.4Å; H179-H184 PolarHBondContact NE2-NE2 2.93Å |
| 180 | V | 85.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.6 | -36.8 | -172.7 | 169.9 | 0 | 0 | 0 | 0 | 112 | W130 V148 I152 L176 R177 D178 H184 C185 | W130-V180 HydrophobicContact CH2-CG2 4.29Å; W130-V180 HydrophobicContact CZ3-CG1 3.92Å; W130-V180 HydrophobicContact CZ3-CG2 3.83Å; V148-V180 HydrophobicContact CG1-CG1 3.17Å; I152-V180 HydrophobicContact CD1-CB 3.95Å; I152-V180 HydrophobicContact CD1-CG1 3.82Å; I152-V180 HydrophobicContact CG1-CB 4.1Å; I152-V180 HydrophobicContact CG1-CG1 4.05Å; I152-V180 HydrophobicContact CG1-CG2 4.43Å; L176-V180 HydrophobicContact CD1-CG2 3.77Å; L176-V180 HydrophobicContact CG-CG2 4.26Å; L176-V180 WeakPolarHBondContact O-CB 3.35Å; L176-V180 WeakPolarHBondContact O-CG2 3.5Å; L176-V180 PolarHBondContact O-N 2.64Å; R177-V180 PolarHBondContact O-N 3.48Å; D178-V180 PolarHBondContact O-N 3.36Å; V180-H184 WeakPolarHBondContact O-CB 3.31Å; V180-H184 PolarHBondContact O-N 3.48Å; V180-H184 VanDerWaalsContact O-N 3.16Å; V180-C185 PolarHBondContact O-N 3.32Å; V180-C185 VanDerWaalsContact O-N 3.16Å; V180-C185 PolarHBondContact O-SG 2.96Å; V180-C185 VanDerWaalsContact O-SG 3.34Å |
| 181 | V | 82.1 | Confident | 77.2 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -61.4 | -57.5 | 171.5 | 171.1 | 0 | 0 | 0 | 0 | 108.4 | L145 R177 R183 C185 E186 | L145-V181 HydrophobicContact CD2-CB 4.47Å; L145-V181 HydrophobicContact CD2-CG1 3.94Å; L145-V181 HydrophobicContact CD2-CG2 4.15Å; R177-V181 HydrophobicContact CG-CG2 4.4Å; R177-V181 WeakPolarHBondContact O-CB 3.44Å; R177-V181 VanDerWaalsContact O-CG2 3.31Å; R177-V181 WeakPolarHBondContact O-CG2 3.34Å; R177-V181 PolarHBondContact O-N 2.69Å; V181-R183 PolarHBondContact O-N 2.92Å; V181-C185 WeakPolarHBondContact O-CB 3.48Å; V181-C185 PolarHBondContact O-N 3.42Å; V181-C185 VanDerWaalsContact O-N 3.13Å; V181-E186 PolarHBondContact O-N 3.46Å |
| 182 | D | 75.2 | Confident | 77.6 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -70.5 | -32.8 | -168.9 | -56.4 | 3.3 | 0 | 0 | 0 | 113.4 | D178 E186 L189 | D178-D182 WeakPolarHBondContact O-CB 3.32Å; D178-D182 PolarHBondContact O-N 2.85Å; D178-D182 VanDerWaalsContact O-OD1 3.1Å; D182-E186 WeakPolarHBondContact CA-OE1 3.32Å; D182-L189 WeakPolarHBondContact O-CD1 3.33Å |
| 183 | R | 78.2 | Confident | 77.8 | Confident | 140 Ų | 140 | 72.6 Ų | 72.6 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -99 | -24.4 | -176.7 | -60 | -60 | -173.1 | 155.3 | -5.5 | 115.2 | H179 V181 | H179-R183 WeakPolarHBondContact O-CB 3.5Å; H179-R183 WeakPolarHBondContact O-CG 3.29Å; H179-R183 PolarHBondContact O-N 3.06Å; V181-R183 PolarHBondContact O-N 2.92Å |
| 184 | H | 82.8 | Confident | 77.7 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -122.1 | -33.5 | -170.7 | -56 | -47.6 | 0 | 0 | 0 | 114.3 | C158 W160 C163 H179 V180 | C158-H184 PolarHBondContact SG-NE2 3.01Å; C158-H184 VanDerWaalsContact SG-NE2 3.37Å; W160-H184 AromaticContact CD1-CE1 3.91Å; W160-H184 AromaticContact CD1-CG 3.95Å; W160-H184 AromaticContact CD1-ND1 3.58Å; W160-H184 HydrophobicContact CD2-CB 3.45Å; W160-H184 VanDerWaalsContact CD2-CB 3.45Å; W160-H184 AromaticContact CD2-CD2 3.81Å; W160-H184 AromaticContact CD2-CG 3.44Å; W160-H184 VanDerWaalsContact CD2-CG 3.44Å; W160-H184 AromaticContact CD2-ND1 3.91Å; W160-H184 AromaticContact CE2-CG 3.91Å; W160-H184 HydrophobicContact CE3-CB 3.45Å; W160-H184 VanDerWaalsContact CE3-CB 3.45Å; W160-H184 AromaticContact CE3-CD2 3.88Å; W160-H184 AromaticContact CE3-CG 3.74Å; W160-H184 HydrophobicContact CG-CB 4.09Å; W160-H184 AromaticContact CG-CD2 3.7Å; W160-H184 AromaticContact CG-CE1 3.76Å; W160-H184 AromaticContact CG-CG 3.54Å; W160-H184 AromaticContact CG-ND1 3.58Å; W160-H184 AromaticContact CG-NE2 3.86Å; W160-H184 HydrophobicContact CH2-CB 3.78Å; W160-H184 HydrophobicContact CZ2-CB 3.79Å; W160-H184 HydrophobicContact CZ3-CB 3.62Å; W160-H184 AromaticContact NE1-ND1 3.94Å; C163-H184 PolarHBondContact SG-CE1 3.4Å; C163-H184 PolarHBondContact SG-NE2 3.13Å; C163-H184 VanDerWaalsContact SG-NE2 3.37Å; H179-H184 AromaticContact CE1-NE2 3.95Å; H179-H184 AromaticContact NE2-NE2 3.4Å; H179-H184 PolarHBondContact NE2-NE2 2.93Å; V180-H184 WeakPolarHBondContact O-CB 3.31Å; V180-H184 PolarHBondContact O-N 3.48Å; V180-H184 VanDerWaalsContact O-N 3.16Å |
| 185 | C | 75.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -89.9 | -29.7 | -179.6 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | K126 L145 V180 V181 T187 | K126-C185 PolarHBondContact NZ-O 2.91Å; L145-C185 HydrophobicContact CD2-CB 3.3Å; L145-C185 HydrophobicContact CG-CB 3.93Å; V180-C185 PolarHBondContact O-N 3.32Å; V180-C185 VanDerWaalsContact O-N 3.16Å; V180-C185 PolarHBondContact O-SG 2.96Å; V180-C185 VanDerWaalsContact O-SG 3.34Å; V181-C185 WeakPolarHBondContact O-CB 3.48Å; V181-C185 PolarHBondContact O-N 3.42Å; V181-C185 VanDerWaalsContact O-N 3.13Å; C185-T187 PolarHBondContact O-N 3.19Å |
| 186 | E | 60.5 | Low | 77 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | trans | -56.1 | 128.9 | -172.7 | -86.9 | -157.9 | -128.1 | 0 | 0 | 113.6 | V181 D182 R188 L189 | V181-E186 PolarHBondContact O-N 3.46Å; D182-E186 WeakPolarHBondContact CA-OE1 3.32Å; E186-R188 PolarHBondContact O-N 2.99Å; E186-R188 VanDerWaalsContact O-N 3.09Å; E186-L189 HydrophobicContact CB-CD1 4.12Å; E186-L189 HydrophobicContact CB-CG 4.12Å; E186-L189 HydrophobicContact CG-CD1 4.43Å; E186-L189 WeakPolarHBondContact OE2-CD1 3.34Å; E186-L189 VanDerWaalsContact OE2-CD2 3.22Å; E186-L189 WeakPolarHBondContact OE2-CD2 3.43Å; E186-L189 WeakPolarHBondContact OE2-CG 3.46Å | ||
| 187 | T | 56.6 | Low | 76.6 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -69.7 | 99.1 | 171.1 | 38.7 | 0 | 0 | 0 | 0 | 110.2 | S141 C185 L189 | S141-T187 VanDerWaalsContact CB-CG2 3.43Å; C185-T187 PolarHBondContact O-N 3.19Å; T187-L189 PolarHBondContact O-N 3.39Å |
| 188 | R | 53.7 | Low | 76.3 | Confident | 205 Ų | 205 | 67.2 Ų | 67.2 | 77% | 0.774 | 39% | 0.386 | S | S | * | . | trans | 60.9 | 51.1 | 156.7 | -156.1 | -177.8 | -160 | 154.4 | 3.2 | 113.1 | E186 F190 | E186-R188 PolarHBondContact O-N 2.99Å; E186-R188 VanDerWaalsContact O-N 3.09Å; R188-F190 HydrophobicContact CG-CE2 4.32Å; R188-F190 HydrophobicContact CG-CZ 4.18Å; R188-F190 WeakPolarHBondContact O-CD2 3.48Å; R188-F190 WeakPolarHBondContact O-CE2 3.33Å | ||
| 189 | L | 69 | Low | 76 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 134.5 | 156.9 | -76.5 | -178.6 | 0 | 0 | 0 | 109.8 | D182 E186 T187 V200 F201 K202 | D182-L189 WeakPolarHBondContact O-CD1 3.33Å; E186-L189 HydrophobicContact CB-CD1 4.12Å; E186-L189 HydrophobicContact CB-CG 4.12Å; E186-L189 HydrophobicContact CG-CD1 4.43Å; E186-L189 WeakPolarHBondContact OE2-CD1 3.34Å; E186-L189 VanDerWaalsContact OE2-CD2 3.22Å; E186-L189 WeakPolarHBondContact OE2-CD2 3.43Å; E186-L189 WeakPolarHBondContact OE2-CG 3.46Å; T187-L189 PolarHBondContact O-N 3.39Å; L189-V200 HydrophobicContact CB-CG1 3.52Å; L189-V200 HydrophobicContact CD1-CG1 3.56Å; L189-V200 HydrophobicContact CD2-CG1 4.13Å; L189-V200 HydrophobicContact CG-CG1 3.93Å; L189-F201 WeakPolarHBondContact CA-O 3.42Å; L189-F201 WeakPolarHBondContact CD2-O 3.45Å; L189-K202 HydrophobicContact CD2-CG 4.21Å |
| 190 | F | 72.1 | Confident | 75.6 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.4 | -178.8 | -64.7 | -100.6 | 0 | 0 | 0 | 108.1 | R188 F201 D204 L207 | R188-F190 HydrophobicContact CG-CE2 4.32Å; R188-F190 HydrophobicContact CG-CZ 4.18Å; R188-F190 WeakPolarHBondContact O-CD2 3.48Å; R188-F190 WeakPolarHBondContact O-CE2 3.33Å; F190-F201 HydrophobicContact CB-CB 4.22Å; F190-F201 PolarHBondContact N-O 2.77Å; F190-F201 WeakPolarHBondContact O-CD2 3.38Å; F190-F201 PolarHBondContact O-N 3.28Å; F190-D204 HydrophobicContact CD1-CB 3.87Å; F190-D204 WeakPolarHBondContact CD1-OD1 3.46Å; F190-D204 HydrophobicContact CE1-CB 3.43Å; F190-D204 VanDerWaalsContact CE1-CB 3.43Å; F190-D204 HydrophobicContact CZ-CB 3.81Å; F190-L207 HydrophobicContact CB-CB 3.81Å; F190-L207 HydrophobicContact CB-CD2 3.81Å; F190-L207 HydrophobicContact CB-CG 4.38Å; F190-L207 HydrophobicContact CD1-CD2 4.43Å |
| 191 | H | 80.3 | Confident | 75.2 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.6 | -179.9 | -68.7 | -62.4 | 0 | 0 | 0 | 111 | P193 L207 | H191-P193 WeakPolarHBondContact O-CD 3.25Å; H191-L207 WeakPolarHBondContact O-CD1 3.31Å; H191-L207 WeakPolarHBondContact O-CD2 3.45Å |
| 192 | C | 83.7 | Confident | 74.7 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 10% | 0.095 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 125.6 | 171.5 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | V194 C197 C199 F201 L207 H210 H215 | C192-V194 PolarHBondContact O-N 3.06Å; C192-C197 HydrophobicContact CB-CB 3.75Å; C192-C197 VanDerWaalsContact CB-SG 3.55Å; C192-C199 PolarHBondContact N-O 2.87Å; C192-F201 HydrophobicContact CB-CE2 4.43Å; C192-L207 HydrophobicContact CB-CD1 4.3Å; C192-H210 PolarHBondContact SG-NE2 3.16Å; C192-H210 VanDerWaalsContact SG-NE2 3.43Å; C192-H215 PolarHBondContact SG-CD2 3.23Å; C192-H215 PolarHBondContact SG-NE2 3.41Å |
| 193 | P | 82.9 | Confident | 74.8 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | trans | -75.6 | -9.3 | 177.1 | 31.5 | -36.2 | 0 | 0 | 0 | 113 | H191 G195 V211 | H191-P193 WeakPolarHBondContact O-CD 3.25Å; P193-G195 PolarHBondContact O-N 3.48Å; P193-V211 HydrophobicContact CG-CG2 4.22Å | ||
| 194 | V | 80.5 | Confident | 74.9 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -77.4 | 119 | -178.9 | 180 | 0 | 0 | 0 | 0 | 110.3 | C192 G196 C197 H215 | C192-V194 PolarHBondContact O-N 3.06Å; V194-G196 PolarHBondContact O-N 3.11Å; V194-C197 HydrophobicContact CB-CB 4.48Å; V194-C197 WeakPolarHBondContact O-CB 3Å; V194-C197 PolarHBondContact O-N 3.09Å; V194-H215 HydrophobicContact CG2-CB 4.03Å; V194-H215 WeakPolarHBondContact CG2-CD2 3.42Å |
| 195 | G | 78.4 | Confident | 75 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 85% | 0.845 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 121.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P193 | P193-G195 PolarHBondContact O-N 3.48Š|
| 196 | G | 78.8 | Confident | 75.3 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 88% | 0.876 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -19.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V194 | V194-G196 PolarHBondContact O-N 3.11Š|
| 197 | C | 77.8 | Confident | 76.5 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 21% | 0.209 | 44% | 0.444 | C | S | . | . | trans | -78.6 | 129.3 | 171.7 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | C192 V194 C199 H210 H215 | C192-C197 HydrophobicContact CB-CB 3.75Å; C192-C197 VanDerWaalsContact CB-SG 3.55Å; V194-C197 HydrophobicContact CB-CB 4.48Å; V194-C197 WeakPolarHBondContact O-CB 3Å; V194-C197 PolarHBondContact O-N 3.09Å; C197-C199 VanDerWaalsContact SG-CB 3.59Å; C197-C199 VanDerWaalsContact SG-SG 3.61Å; C197-H210 PolarHBondContact SG-NE2 3.27Å; C197-H215 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 198 | S | 79.8 | Confident | 77.8 | Confident | 103 Ų | 103 | 79 Ų | 79 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | trans | -105.9 | 6.3 | 177.8 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | V200 | S198-V200 WeakPolarHBondContact O-CG2 3.44Š| ||
| 199 | C | 75.8 | Confident | 79.4 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | trans | -67.7 | 148.7 | -178.6 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | C192 C197 F201 | C192-C199 PolarHBondContact N-O 2.87Å; C197-C199 VanDerWaalsContact SG-CB 3.59Å; C197-C199 VanDerWaalsContact SG-SG 3.61Å; C199-F201 HydrophobicContact CB-CE1 4.37Å; C199-F201 HydrophobicContact CB-CE2 3.68Å; C199-F201 HydrophobicContact CB-CZ 3.39Å | ||
| 200 | V | 78.3 | Confident | 80.2 | Confident | 45 Ų | 45 | 72 Ų | 72 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.6 | -171.1 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | L189 S198 | L189-V200 HydrophobicContact CB-CG1 3.52Å; L189-V200 HydrophobicContact CD1-CG1 3.56Å; L189-V200 HydrophobicContact CD2-CG1 4.13Å; L189-V200 HydrophobicContact CG-CG1 3.93Å; S198-V200 WeakPolarHBondContact O-CG2 3.44Å |
| 201 | F | 77.4 | Confident | 80.7 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 13% | 0.132 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.4 | -167.3 | -55.4 | -78.7 | 0 | 0 | 0 | 112.3 | L189 F190 C192 C199 S203 L206 L207 H210 | L189-F201 WeakPolarHBondContact CA-O 3.42Å; L189-F201 WeakPolarHBondContact CD2-O 3.45Å; F190-F201 HydrophobicContact CB-CB 4.22Å; F190-F201 PolarHBondContact N-O 2.77Å; F190-F201 WeakPolarHBondContact O-CD2 3.38Å; F190-F201 PolarHBondContact O-N 3.28Å; C192-F201 HydrophobicContact CB-CE2 4.43Å; C199-F201 HydrophobicContact CB-CE1 4.37Å; C199-F201 HydrophobicContact CB-CE2 3.68Å; C199-F201 HydrophobicContact CB-CZ 3.39Å; F201-S203 VanDerWaalsContact C-N 3.33Å; F201-L206 HydrophobicContact CB-CB 3.94Å; F201-L206 HydrophobicContact CD1-CB 3.96Å; F201-L206 HydrophobicContact CG-CB 4.25Å; F201-L207 HydrophobicContact CB-CB 4.2Å; F201-L207 HydrophobicContact CD2-CB 3.81Å; F201-L207 HydrophobicContact CD2-CD1 3.78Å; F201-L207 HydrophobicContact CD2-CG 4.42Å; F201-L207 HydrophobicContact CE2-CD1 3.96Å; F201-L207 HydrophobicContact CG-CB 4.18Å; F201-H210 HydrophobicContact CD1-CB 4.49Å; F201-H210 HydrophobicContact CE1-CB 3.67Å; F201-H210 AromaticContact CE1-CG 3.91Å; F201-H210 HydrophobicContact CE2-CB 3.88Å; F201-H210 AromaticContact CE2-CD2 3.32Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.46Å; F201-H210 AromaticContact CE2-CG 3.67Å; F201-H210 HydrophobicContact CZ-CB 3.33Å; F201-H210 AromaticContact CZ-CD2 3.23Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.46Å; F201-H210 AromaticContact CZ-CG 3.11Å; F201-H210 AromaticContact CZ-ND1 3.7Å; F201-H210 AromaticContact CZ-NE2 3.83Å |
| 202 | K | 71.1 | Confident | 80.7 | Confident | 182 Ų | 182 | 70.3 Ų | 70.3 | 79% | 0.791 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -83.9 | -8.3 | -178.6 | -62.5 | -178.6 | 178.9 | -179.2 | 0 | 113.5 | L189 | L189-K202 HydrophobicContact CD2-CG 4.21Š|
| 203 | S | 76.6 | Confident | 80.5 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -148.5 | 159 | 176.2 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | F201 E205 L206 L207 | F201-S203 VanDerWaalsContact C-N 3.33Å; S203-E205 VanDerWaalsContact C-N 3.33Å; S203-L206 PolarHBondContact O-N 2.81Å; S203-L206 WeakPolarHBondContact OG-CG 3.47Å; S203-L206 PolarHBondContact OG-N 3.31Å; S203-L207 PolarHBondContact O-N 2.97Å |
| 204 | D | 81.8 | Confident | 80.2 | Confident | 98 Ų | 98 | 69.1 Ų | 69.1 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.4 | -141.9 | -10 | 0 | 0 | 0 | 110.5 | F190 L206 L207 E208 | F190-D204 HydrophobicContact CD1-CB 3.87Å; F190-D204 WeakPolarHBondContact CD1-OD1 3.46Å; F190-D204 HydrophobicContact CE1-CB 3.43Å; F190-D204 VanDerWaalsContact CE1-CB 3.43Å; F190-D204 HydrophobicContact CZ-CB 3.81Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.45Å; D204-L207 CarbonylContact O-C 3.56Å; D204-L207 WeakPolarHBondContact O-CA 3.43Å; D204-L207 WeakPolarHBondContact O-CB 3.33Å; D204-L207 PolarHBondContact O-N 3.46Å; D204-E208 PolarHBondContact O-N 2.88Å |
| 205 | E | 83.5 | Confident | 80.3 | Confident | 123 Ų | 123 | 70 Ų | 70 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -52.7 | -44.1 | 176.2 | -62.6 | 166.2 | -168.1 | 0 | 0 | 112.1 | S203 E208 F209 | S203-E205 VanDerWaalsContact C-N 3.33Å; E205-E208 PolarHBondContact O-N 3.41Å; E205-F209 HydrophobicContact CB-CE2 4.44Å; E205-F209 WeakPolarHBondContact O-CB 3.49Å; E205-F209 WeakPolarHBondContact O-CD2 3.23Å; E205-F209 WeakPolarHBondContact O-CG 3.48Å; E205-F209 PolarHBondContact O-N 3.15Å |
| 206 | L | 83.2 | Confident | 79.8 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.1 | -32.5 | 178 | -73.7 | 173.4 | 0 | 0 | 0 | 112.7 | F201 S203 D204 H210 | F201-L206 HydrophobicContact CB-CB 3.94Å; F201-L206 HydrophobicContact CD1-CB 3.96Å; F201-L206 HydrophobicContact CG-CB 4.25Å; S203-L206 PolarHBondContact O-N 2.81Å; S203-L206 WeakPolarHBondContact OG-CG 3.47Å; S203-L206 PolarHBondContact OG-N 3.31Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.45Å; L206-H210 VanDerWaalsContact O-CB 3.3Å; L206-H210 WeakPolarHBondContact O-CB 3.31Å; L206-H210 PolarHBondContact O-N 3.01Å |
| 207 | L | 86.1 | Confident | 78.8 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.12 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 171.5 | 168.2 | 62 | 0 | 0 | 0 | 110.9 | F190 H191 C192 F201 S203 D204 H210 V211 | F190-L207 HydrophobicContact CB-CB 3.81Å; F190-L207 HydrophobicContact CB-CD2 3.81Å; F190-L207 HydrophobicContact CB-CG 4.38Å; F190-L207 HydrophobicContact CD1-CD2 4.43Å; H191-L207 WeakPolarHBondContact O-CD1 3.31Å; H191-L207 WeakPolarHBondContact O-CD2 3.45Å; C192-L207 HydrophobicContact CB-CD1 4.3Å; F201-L207 HydrophobicContact CB-CB 4.2Å; F201-L207 HydrophobicContact CD2-CB 3.81Å; F201-L207 HydrophobicContact CD2-CD1 3.78Å; F201-L207 HydrophobicContact CD2-CG 4.42Å; F201-L207 HydrophobicContact CE2-CD1 3.96Å; F201-L207 HydrophobicContact CG-CB 4.18Å; S203-L207 PolarHBondContact O-N 2.97Å; D204-L207 CarbonylContact O-C 3.56Å; D204-L207 WeakPolarHBondContact O-CA 3.43Å; D204-L207 WeakPolarHBondContact O-CB 3.33Å; D204-L207 PolarHBondContact O-N 3.46Å; L207-H210 PolarHBondContact O-N 3.42Å; L207-H210 VanDerWaalsContact O-N 3.16Å; L207-V211 HydrophobicContact CD1-CG2 3.77Å; L207-V211 HydrophobicContact CG-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.24Å |
| 208 | E | 83.9 | Confident | 77.7 | Confident | 131 Ų | 131 | 79.5 Ų | 79.5 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.4 | -48.2 | 179.6 | -175.4 | 175.3 | -157.3 | 0 | 0 | 110.9 | D204 E205 H210 V211 M212 | D204-E208 PolarHBondContact O-N 2.88Å; E205-E208 PolarHBondContact O-N 3.41Å; E208-H210 VanDerWaalsContact C-N 3.34Å; E208-H210 PolarHBondContact O-N 2.91Å; E208-V211 PolarHBondContact O-N 3.11Å; E208-M212 VanDerWaalsContact O-CB 3.31Å; E208-M212 WeakPolarHBondContact O-CB 3.31Å; E208-M212 PolarHBondContact O-N 3.22Å |
| 209 | F | 85.7 | Confident | 76.5 | Confident | 86 Ų | 86 | 83 Ų | 83 | 38% | 0.377 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 173.6 | -72.3 | -48.7 | 0 | 0 | 0 | 112.6 | E205 M212 Y213 | E205-F209 HydrophobicContact CB-CE2 4.44Å; E205-F209 WeakPolarHBondContact O-CB 3.49Å; E205-F209 WeakPolarHBondContact O-CD2 3.23Å; E205-F209 WeakPolarHBondContact O-CG 3.48Å; E205-F209 PolarHBondContact O-N 3.15Å; F209-M212 HydrophobicContact CD1-CE 3.83Å; F209-M212 HydrophobicContact CE1-CE 4.25Å; F209-Y213 HydrophobicContact CB-CD2 4.17Å; F209-Y213 HydrophobicContact CB-CE2 4.36Å; F209-Y213 HydrophobicContact CD1-CD2 4.33Å; F209-Y213 AromaticContact CD1-CE2 3.69Å; F209-Y213 HydrophobicContact CD1-CE2 3.69Å; F209-Y213 HydrophobicContact CE1-CE2 4.46Å; F209-Y213 HydrophobicContact CG-CE2 4.38Å; F209-Y213 WeakPolarHBondContact O-CB 3.47Å; F209-Y213 WeakPolarHBondContact O-CD2 3.43Å; F209-Y213 PolarHBondContact O-N 3.44Å |
| 210 | H | 85.7 | Confident | 75.5 | Confident | 8 Ų | 8 | 83.2 Ų | 83.2 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 176.4 | 166.1 | 69.7 | 0 | 0 | 0 | 112.3 | C192 C197 F201 L206 L207 E208 M212 Y213 A214 H215 | C192-H210 PolarHBondContact SG-NE2 3.16Å; C192-H210 VanDerWaalsContact SG-NE2 3.43Å; C197-H210 PolarHBondContact SG-NE2 3.27Å; F201-H210 HydrophobicContact CD1-CB 4.49Å; F201-H210 HydrophobicContact CE1-CB 3.67Å; F201-H210 AromaticContact CE1-CG 3.91Å; F201-H210 HydrophobicContact CE2-CB 3.88Å; F201-H210 AromaticContact CE2-CD2 3.32Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.46Å; F201-H210 AromaticContact CE2-CG 3.67Å; F201-H210 HydrophobicContact CZ-CB 3.33Å; F201-H210 AromaticContact CZ-CD2 3.23Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.46Å; F201-H210 AromaticContact CZ-CG 3.11Å; F201-H210 AromaticContact CZ-ND1 3.7Å; F201-H210 AromaticContact CZ-NE2 3.83Å; L206-H210 VanDerWaalsContact O-CB 3.3Å; L206-H210 WeakPolarHBondContact O-CB 3.31Å; L206-H210 PolarHBondContact O-N 3.01Å; L207-H210 PolarHBondContact O-N 3.42Å; L207-H210 VanDerWaalsContact O-N 3.16Å; E208-H210 VanDerWaalsContact C-N 3.34Å; E208-H210 PolarHBondContact O-N 2.91Å; H210-M212 VanDerWaalsContact C-N 3.32Å; H210-M212 PolarHBondContact O-N 3.11Å; H210-Y213 PolarHBondContact O-N 3.25Å; H210-A214 WeakPolarHBondContact ND1-CB 3.37Å; H210-A214 WeakPolarHBondContact O-CA 3.39Å; H210-A214 VanDerWaalsContact O-CB 3.26Å; H210-A214 WeakPolarHBondContact O-CB 3.42Å; H210-A214 PolarHBondContact O-N 3.42Å; H210-H215 AromaticContact CE1-NE2 3.64Å; H210-H215 AromaticContact NE2-CD2 3.81Å; H210-H215 AromaticContact NE2-NE2 3.22Å; H210-H215 PolarHBondContact NE2-NE2 3.24Å |
| 211 | V | 83.7 | Confident | 74.5 | Confident | 37 Ų | 37 | 86.1 Ų | 86.1 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | P193 L207 E208 H215 C216 | P193-V211 HydrophobicContact CG-CG2 4.22Å; L207-V211 HydrophobicContact CD1-CG2 3.77Å; L207-V211 HydrophobicContact CG-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.24Å; E208-V211 PolarHBondContact O-N 3.11Å; V211-H215 WeakPolarHBondContact O-CB 3.48Å; V211-H215 PolarHBondContact O-N 2.83Å; V211-C216 PolarHBondContact O-N 3.34Å; V211-C216 PolarHBondContact O-SG 2.84Å |
| 212 | M | 81 | Confident | 73.8 | Confident | 81 Ų | 81 | 89.1 Ų | 89.1 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 179.8 | -173.9 | 172.3 | 55.9 | 0 | 0 | 113.5 | E208 F209 H210 C216 | E208-M212 VanDerWaalsContact O-CB 3.31Å; E208-M212 WeakPolarHBondContact O-CB 3.31Å; E208-M212 PolarHBondContact O-N 3.22Å; F209-M212 HydrophobicContact CD1-CE 3.83Å; F209-M212 HydrophobicContact CE1-CE 4.25Å; H210-M212 VanDerWaalsContact C-N 3.32Å; H210-M212 PolarHBondContact O-N 3.11Å; M212-C216 WeakPolarHBondContact O-CB 3.29Å |
| 213 | Y | 78.1 | Confident | 73.7 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 29% | 0.29 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -101.5 | -25.5 | -173.9 | -66.4 | -53.1 | 0 | 0 | 0 | 115.7 | F209 H210 | F209-Y213 HydrophobicContact CB-CD2 4.17Å; F209-Y213 HydrophobicContact CB-CE2 4.36Å; F209-Y213 HydrophobicContact CD1-CD2 4.33Å; F209-Y213 AromaticContact CD1-CE2 3.69Å; F209-Y213 HydrophobicContact CD1-CE2 3.69Å; F209-Y213 HydrophobicContact CE1-CE2 4.46Å; F209-Y213 HydrophobicContact CG-CE2 4.38Å; F209-Y213 WeakPolarHBondContact O-CB 3.47Å; F209-Y213 WeakPolarHBondContact O-CD2 3.43Å; F209-Y213 PolarHBondContact O-N 3.44Å; H210-Y213 PolarHBondContact O-N 3.25Å |
| 214 | A | 77.7 | Confident | 73.1 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -102 | -11.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H210 | H210-A214 WeakPolarHBondContact ND1-CB 3.37Å; H210-A214 WeakPolarHBondContact O-CA 3.39Å; H210-A214 VanDerWaalsContact O-CB 3.26Å; H210-A214 WeakPolarHBondContact O-CB 3.42Å; H210-A214 PolarHBondContact O-N 3.42Å |
| 215 | H | 82.1 | Confident | 72.6 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -131.2 | -11.7 | -176.4 | -59.2 | -36.4 | 0 | 0 | 0 | 115.4 | C192 V194 C197 H210 V211 | C192-H215 PolarHBondContact SG-CD2 3.23Å; C192-H215 PolarHBondContact SG-NE2 3.41Å; V194-H215 HydrophobicContact CG2-CB 4.03Å; V194-H215 WeakPolarHBondContact CG2-CD2 3.42Å; C197-H215 WeakPolarHBondContact CB-NE2 3.48Å; H210-H215 AromaticContact CE1-NE2 3.64Å; H210-H215 AromaticContact NE2-CD2 3.81Å; H210-H215 AromaticContact NE2-NE2 3.22Å; H210-H215 PolarHBondContact NE2-NE2 3.24Å; V211-H215 WeakPolarHBondContact O-CB 3.48Å; V211-H215 PolarHBondContact O-N 2.83Å |
| 216 | C | 67.4 | Low | 72.2 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -107 | -3.5 | -178.7 | -65.4 | 0 | 0 | 0 | 0 | 116.1 | V211 M212 | V211-C216 PolarHBondContact O-N 3.34Å; V211-C216 PolarHBondContact O-SG 2.84Å; M212-C216 WeakPolarHBondContact O-CB 3.29Å |
| 217 | E | 57.3 | Low | 71.8 | Confident | 105 Ų | 105 | 88 Ų | 88 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | trans | -136.2 | 127.4 | 174.4 | -67.2 | -171.6 | 161.5 | 0 | 0 | 111.7 | E219 N220 | E217-E219 PolarHBondContact O-N 3.43Å; E217-E219 VanDerWaalsContact O-N 3.09Å; E217-N220 PolarHBondContact OE2-ND2 3.06Å | ||
| 218 | E | 56.5 | Low | 71.3 | Confident | 207 Ų | 207 | 90.6 Ų | 90.6 | 97% | 0.967 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -1.2 | -167.8 | -65.6 | -175.7 | 133.8 | 0 | 0 | 115.4 | ||
| 219 | E | 54 | Low | 70.9 | Confident | 178 Ų | 178 | 86.6 Ų | 86.6 | 83% | 0.832 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | 2.7 | -169.1 | -60.6 | -167 | 142 | 0 | 0 | 116.7 | E217 | E217-E219 PolarHBondContact O-N 3.43Å; E217-E219 VanDerWaalsContact O-N 3.09Å |
| 220 | N | 54.8 | Low | 70.4 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 31% | 0.31 | 44% | 0.437 | S | S | . | . | trans | -107.9 | 12.2 | -164.5 | -90.4 | -35.7 | 0 | 0 | 0 | 118.4 | E217 S222 L223 F224 | E217-N220 PolarHBondContact OE2-ND2 3.06Å; N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.03Å; N220-S222 VanDerWaalsContact O-N 3.15Å; N220-L223 PolarHBondContact O-N 3.2Å; N220-F224 PolarHBondContact O-N 3.32Å; N220-F224 VanDerWaalsContact O-N 3.1Å | ||
| 221 | E | 57.5 | Low | 70 | Confident | 106 Ų | 106 | 89 Ų | 89 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -48.1 | -43.2 | 178.4 | -76.2 | -72.2 | 111.7 | 0 | 0 | 114.3 | L223 F224 H225 | E221-L223 PolarHBondContact O-N 2.89Å; E221-F224 PolarHBondContact O-N 3.17Å; E221-H225 PolarHBondContact O-CD2 3.18Å; E221-H225 PolarHBondContact O-N 3.47Å; E221-H225 VanDerWaalsContact O-N 3.08Å |
| 222 | S | 63.2 | Low | 69.5 | Low | 93 Ų | 93 | 90 Ų | 90 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | -178.6 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | N220 H226 | N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.03Å; N220-S222 VanDerWaalsContact O-N 3.15Å; S222-H226 WeakPolarHBondContact O-CB 3.48Å; S222-H226 PolarHBondContact O-N 3.29Å |
| 223 | L | 67.8 | Low | 69.2 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.9 | -34.9 | 180 | -171.3 | 143.7 | 0 | 0 | 0 | 111.3 | N220 E221 R227 | N220-L223 PolarHBondContact O-N 3.2Å; E221-L223 PolarHBondContact O-N 2.89Å; L223-R227 HydrophobicContact CD2-CG 4.4Å; L223-R227 WeakPolarHBondContact O-CB 3.21Å; L223-R227 WeakPolarHBondContact O-CG 3.23Å; L223-R227 PolarHBondContact O-N 3.16Å |
| 224 | F | 64.9 | Low | 68.9 | Low | 32 Ų | 32 | 90.6 Ų | 90.6 | 14% | 0.14 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62 | -52.1 | 170.6 | 179.7 | -101.7 | 0 | 0 | 0 | 111.3 | N220 E221 H226 R227 M228 | N220-F224 PolarHBondContact O-N 3.32Å; N220-F224 VanDerWaalsContact O-N 3.1Å; E221-F224 PolarHBondContact O-N 3.17Å; F224-H226 VanDerWaalsContact C-N 3.33Å; F224-H226 PolarHBondContact O-N 3.19Å; F224-R227 PolarHBondContact O-N 2.94Å; F224-M228 HydrophobicContact CD1-CG 4.3Å; F224-M228 HydrophobicContact CD2-CG 4.42Å; F224-M228 HydrophobicContact CE1-CG 3.87Å; F224-M228 HydrophobicContact CE2-CG 4.02Å; F224-M228 HydrophobicContact CE2-SD 4.42Å; F224-M228 HydrophobicContact CZ-CG 3.72Å; F224-M228 HydrophobicContact CZ-SD 4.19Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 3.38Å |
| 225 | H | 70.9 | Confident | 68.6 | Low | 124 Ų | 124 | 93.2 Ų | 93.2 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -40.1 | 177.1 | -86.1 | -70.4 | 0 | 0 | 0 | 112.7 | E221 M228 A229 | E221-H225 PolarHBondContact O-CD2 3.18Å; E221-H225 PolarHBondContact O-N 3.47Å; E221-H225 VanDerWaalsContact O-N 3.08Å; H225-M228 PolarHBondContact O-N 3.33Å; H225-A229 WeakPolarHBondContact O-CB 3.18Å; H225-A229 PolarHBondContact O-N 3.23Å |
| 226 | H | 75.5 | Confident | 68.2 | Low | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.6 | -174.3 | 64.3 | 0 | 0 | 0 | 112.2 | S222 F224 A229 L230 | S222-H226 WeakPolarHBondContact O-CB 3.48Å; S222-H226 PolarHBondContact O-N 3.29Å; F224-H226 VanDerWaalsContact C-N 3.33Å; F224-H226 PolarHBondContact O-N 3.19Å; H226-A229 PolarHBondContact O-N 2.75Å; H226-L230 WeakPolarHBondContact O-CG 3.26Å; H226-L230 PolarHBondContact O-N 3.41Å |
| 227 | R | 74.1 | Confident | 68.4 | Low | 138 Ų | 138 | 97.7 Ų | 97.7 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 176.3 | -80.7 | -176.5 | 160.3 | 161.9 | -5.6 | 112.8 | L223 F224 L230 A231 | L223-R227 HydrophobicContact CD2-CG 4.4Å; L223-R227 WeakPolarHBondContact O-CB 3.21Å; L223-R227 WeakPolarHBondContact O-CG 3.23Å; L223-R227 PolarHBondContact O-N 3.16Å; F224-R227 PolarHBondContact O-N 2.94Å; R227-L230 PolarHBondContact O-N 3.37Å; R227-A231 WeakPolarHBondContact O-CB 3.48Å; R227-A231 PolarHBondContact O-N 2.81Å |
| 228 | M | 75.6 | Confident | 68.8 | Low | 77 Ų | 77 | 98.7 Ų | 98.7 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 174 | -72 | -66.4 | 100.8 | 0 | 0 | 112.1 | F224 H225 A231 A232 | F224-M228 HydrophobicContact CD1-CG 4.3Å; F224-M228 HydrophobicContact CD2-CG 4.42Å; F224-M228 HydrophobicContact CE1-CG 3.87Å; F224-M228 HydrophobicContact CE2-CG 4.02Å; F224-M228 HydrophobicContact CE2-SD 4.42Å; F224-M228 HydrophobicContact CZ-CG 3.72Å; F224-M228 HydrophobicContact CZ-SD 4.19Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 3.38Å; H225-M228 PolarHBondContact O-N 3.33Å; M228-A231 PolarHBondContact O-N 2.94Å; M228-A232 WeakPolarHBondContact O-CB 3.22Å; M228-A232 PolarHBondContact O-N 3.34Å |
| 229 | A | 76.4 | Confident | 69.1 | Low | 47 Ų | 47 | 95.3 Ų | 95.3 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | H225 H226 A232 L233 | H225-A229 WeakPolarHBondContact O-CB 3.18Å; H225-A229 PolarHBondContact O-N 3.23Å; H226-A229 PolarHBondContact O-N 2.75Å; A229-A232 PolarHBondContact O-N 2.79Å; A229-L233 WeakPolarHBondContact O-CB 3.25Å; A229-L233 VanDerWaalsContact O-CG 3.28Å; A229-L233 WeakPolarHBondContact O-CG 3.46Å; A229-L233 PolarHBondContact O-N 2.77Å |
| 230 | L | 75.2 | Confident | 69.6 | Low | 91 Ų | 91 | 94 Ų | 94 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 174.3 | -70.6 | 176.4 | 0 | 0 | 0 | 112.3 | H226 R227 L233 A234 | H226-L230 WeakPolarHBondContact O-CG 3.26Å; H226-L230 PolarHBondContact O-N 3.41Å; R227-L230 PolarHBondContact O-N 3.37Å; L230-L233 PolarHBondContact O-N 3.1Å; L230-A234 WeakPolarHBondContact O-CB 3.28Å; L230-A234 PolarHBondContact O-N 3.49Å |
| 231 | A | 75.9 | Confident | 69.9 | Low | 53 Ų | 53 | 96.7 Ų | 96.7 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R227 M228 A234 D235 | R227-A231 WeakPolarHBondContact O-CB 3.48Å; R227-A231 PolarHBondContact O-N 2.81Å; M228-A231 PolarHBondContact O-N 2.94Å; A231-A234 PolarHBondContact O-N 3.46Å; A231-D235 PolarHBondContact O-N 2.84Å |
| 232 | A | 74.1 | Confident | 70 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M228 A229 A234 D235 E236 | M228-A232 WeakPolarHBondContact O-CB 3.22Å; M228-A232 PolarHBondContact O-N 3.34Å; A229-A232 PolarHBondContact O-N 2.79Å; A232-A234 VanDerWaalsContact C-N 3.33Å; A232-D235 PolarHBondContact O-N 3.43Å; A232-E236 VanDerWaalsContact O-CB 3.28Å; A232-E236 WeakPolarHBondContact O-CB 3.27Å; A232-E236 PolarHBondContact O-N 3.2Å |
| 233 | L | 74.6 | Confident | 69.9 | Low | 116 Ų | 116 | 97.7 Ų | 97.7 | 61% | 0.607 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.3 | -31.3 | 174.4 | -71.8 | 170.5 | 0 | 0 | 0 | 112.7 | A229 L230 R237 | A229-L233 WeakPolarHBondContact O-CB 3.25Å; A229-L233 VanDerWaalsContact O-CG 3.28Å; A229-L233 WeakPolarHBondContact O-CG 3.46Å; A229-L233 PolarHBondContact O-N 2.77Å; L230-L233 PolarHBondContact O-N 3.1Å; L233-R237 WeakPolarHBondContact O-CB 3.44Å; L233-R237 PolarHBondContact O-N 3.34Å |
| 234 | A | 70.9 | Confident | 69.6 | Low | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.3 | -47.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L230 A231 A232 E236 R237 E238 | L230-A234 WeakPolarHBondContact O-CB 3.28Å; L230-A234 PolarHBondContact O-N 3.49Å; A231-A234 PolarHBondContact O-N 3.46Å; A232-A234 VanDerWaalsContact C-N 3.33Å; A234-E236 VanDerWaalsContact C-N 3.35Å; A234-E236 PolarHBondContact O-N 3.48Å; A234-R237 PolarHBondContact O-N 2.96Å; A234-E238 PolarHBondContact O-N 3.32Å |
| 235 | D | 73 | Confident | 69.2 | Low | 72 Ų | 72 | 102.7 Ų | 102.7 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.8 | -177.4 | 55 | 0 | 0 | 0 | 111.5 | A231 A232 R237 E238 R239 | A231-D235 PolarHBondContact O-N 2.84Å; A232-D235 PolarHBondContact O-N 3.43Å; D235-R237 PolarHBondContact O-N 3.05Å; D235-E238 PolarHBondContact O-N 3.07Å; D235-R239 VanDerWaalsContact O-CG 3.31Å; D235-R239 WeakPolarHBondContact O-CG 3.48Å; D235-R239 PolarHBondContact O-N 2.89Å; D235-R239 IonicContact OD1-NE 3.14Å; D235-R239 IonicContact OD2-CZ 3.17Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.28Å; D235-R239 VanDerWaalsContact OD2-NE 3.07Å; D235-R239 IonicContact OD2-NH2 3.7Å; D235-R239 PolarHBondContact OD2-NH2 2.92Å |
| 236 | E | 73.6 | Confident | 68.7 | Low | 70 Ų | 70 | 100.5 Ų | 100.5 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.5 | 179.4 | 62.3 | -167.8 | 0 | 0 | 112.7 | A232 A234 R240 | A232-E236 VanDerWaalsContact O-CB 3.28Å; A232-E236 WeakPolarHBondContact O-CB 3.27Å; A232-E236 PolarHBondContact O-N 3.2Å; A234-E236 VanDerWaalsContact C-N 3.35Å; A234-E236 PolarHBondContact O-N 3.48Å; E236-R240 WeakPolarHBondContact O-CG 3.22Å; E236-R240 PolarHBondContact O-N 3Å; E236-R240 VanDerWaalsContact O-N 3.1Å; E236-R240 IonicContact OE1-CZ 2.64Å; E236-R240 IonicContact OE1-NE 2.69Å; E236-R240 PolarHBondContact OE1-NE 3.37Å; E236-R240 IonicContact OE1-NH2 3.07Å; E236-R240 PolarHBondContact OE1-NH2 3.09Å |
| 237 | R | 69.8 | Low | 68.2 | Low | 184 Ų | 184 | 99 Ų | 99 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 174.1 | 178.5 | -177 | -104.9 | -172.7 | -4.7 | 111.5 | L233 A234 D235 R240 Q241 | L233-R237 WeakPolarHBondContact O-CB 3.44Å; L233-R237 PolarHBondContact O-N 3.34Å; A234-R237 PolarHBondContact O-N 2.96Å; D235-R237 PolarHBondContact O-N 3.05Å; R237-R240 PolarHBondContact O-N 2.9Å; R237-Q241 WeakPolarHBondContact O-CG 3.36Å; R237-Q241 PolarHBondContact O-N 3.39Å; R237-Q241 VanDerWaalsContact O-N 3.11Å |
| 238 | E | 65.6 | Low | 67.8 | Low | 127 Ų | 127 | 96.7 Ų | 96.7 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 176.4 | -73.8 | -169.3 | -179.6 | 0 | 0 | 111.3 | A234 D235 R240 Q241 C242 | A234-E238 PolarHBondContact O-N 3.32Å; D235-E238 PolarHBondContact O-N 3.07Å; E238-R240 PolarHBondContact O-N 3.26Å; E238-Q241 PolarHBondContact O-N 3.4Å; E238-C242 PolarHBondContact O-N 2.96Å; E238-C242 PolarHBondContact O-SG 2.88Å |
| 239 | R | 63.8 | Low | 67.5 | Low | 136 Ų | 136 | 99 Ų | 99 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 175 | -72.7 | 176.9 | -165.4 | -169.3 | 7.3 | 112.4 | D235 Q241 C242 E243 | D235-R239 VanDerWaalsContact O-CG 3.31Å; D235-R239 WeakPolarHBondContact O-CG 3.48Å; D235-R239 PolarHBondContact O-N 2.89Å; D235-R239 IonicContact OD1-NE 3.14Å; D235-R239 IonicContact OD2-CZ 3.17Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.28Å; D235-R239 VanDerWaalsContact OD2-NE 3.07Å; D235-R239 IonicContact OD2-NH2 3.7Å; D235-R239 PolarHBondContact OD2-NH2 2.92Å; R239-Q241 VanDerWaalsContact C-N 3.29Å; R239-Q241 PolarHBondContact O-N 2.83Å; R239-C242 CarbonylContact O-C 3.59Å; R239-C242 WeakPolarHBondContact O-CA 3.15Å; R239-C242 WeakPolarHBondContact O-CB 3.38Å; R239-C242 PolarHBondContact O-N 2.86Å; R239-E243 WeakPolarHBondContact O-CG 3.31Å; R239-E243 PolarHBondContact O-N 3.24Å |
| 240 | R | 64.3 | Low | 67.4 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -35.5 | 178 | -70.1 | 177.3 | -169.1 | -160.3 | 2.2 | 112.8 | E236 R237 E238 Q244 | E236-R240 WeakPolarHBondContact O-CG 3.22Å; E236-R240 PolarHBondContact O-N 3Å; E236-R240 VanDerWaalsContact O-N 3.1Å; E236-R240 IonicContact OE1-CZ 2.64Å; E236-R240 IonicContact OE1-NE 2.69Å; E236-R240 PolarHBondContact OE1-NE 3.37Å; E236-R240 IonicContact OE1-NH2 3.07Å; E236-R240 PolarHBondContact OE1-NH2 3.09Å; R237-R240 PolarHBondContact O-N 2.9Å; E238-R240 PolarHBondContact O-N 3.26Å; R240-Q244 WeakPolarHBondContact O-CG 3.13Å; R240-Q244 PolarHBondContact O-N 3.13Å; R240-Q244 VanDerWaalsContact O-N 3.16Å |
| 241 | Q | 60.6 | Low | 67.1 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 171.7 | -73.1 | -178 | -11.5 | 0 | 0 | 111.3 | R237 E238 R239 E243 Q244 L245 | R237-Q241 WeakPolarHBondContact O-CG 3.36Å; R237-Q241 PolarHBondContact O-N 3.39Å; R237-Q241 VanDerWaalsContact O-N 3.11Å; E238-Q241 PolarHBondContact O-N 3.4Å; R239-Q241 VanDerWaalsContact C-N 3.29Å; R239-Q241 PolarHBondContact O-N 2.83Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.98Å; Q241-Q244 PolarHBondContact O-N 3.21Å; Q241-L245 WeakPolarHBondContact O-CG 3.03Å; Q241-L245 PolarHBondContact O-N 2.76Å; Q241-L245 VanDerWaalsContact O-N 3.11Å |
| 242 | C | 60.3 | Low | 66.9 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 54% | 0.541 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 175.8 | -72.7 | 0 | 0 | 0 | 0 | 113.8 | E238 R239 P246 | E238-C242 PolarHBondContact O-N 2.96Å; E238-C242 PolarHBondContact O-SG 2.88Å; R239-C242 CarbonylContact O-C 3.59Å; R239-C242 WeakPolarHBondContact O-CA 3.15Å; R239-C242 WeakPolarHBondContact O-CB 3.38Å; R239-C242 PolarHBondContact O-N 2.86Å; C242-P246 WeakPolarHBondContact O-CD 3.47Å |
| 243 | E | 60 | Low | 66.9 | Low | 141 Ų | 141 | 101.2 Ų | 101.2 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.3 | -28.9 | 174.5 | -73.1 | 174 | 174.1 | 0 | 0 | 112.8 | R239 Q241 | R239-E243 WeakPolarHBondContact O-CG 3.31Å; R239-E243 PolarHBondContact O-N 3.24Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.98Å |
| 244 | Q | 61.4 | Low | 67 | Low | 109 Ų | 109 | 100.4 Ų | 100.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.1 | -28.3 | 172.9 | -73.2 | -177.4 | -2.5 | 0 | 0 | 113.3 | R240 Q241 T247 Q248 | R240-Q244 WeakPolarHBondContact O-CG 3.13Å; R240-Q244 PolarHBondContact O-N 3.13Å; R240-Q244 VanDerWaalsContact O-N 3.16Å; Q241-Q244 PolarHBondContact O-N 3.21Å; Q244-T247 PolarHBondContact O-N 3.33Å; Q244-T247 VanDerWaalsContact O-N 3.15Å; Q244-T247 PolarHBondContact O-OG1 3.36Å; Q244-Q248 WeakPolarHBondContact O-CG 3.44Å; Q244-Q248 PolarHBondContact O-N 2.72Å |
| 245 | L | 57.2 | Low | 67.1 | Low | 101 Ų | 101 | 99.2 Ų | 99.2 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.7 | -44.7 | -179 | -78.4 | 173.3 | 0 | 0 | 0 | 113.8 | Q241 T247 Q248 F249 | Q241-L245 WeakPolarHBondContact O-CG 3.03Å; Q241-L245 PolarHBondContact O-N 2.76Å; Q241-L245 VanDerWaalsContact O-N 3.11Å; L245-T247 PolarHBondContact O-N 3.45Å; L245-Q248 PolarHBondContact O-N 2.82Å; L245-F249 VanDerWaalsContact O-CB 3.25Å; L245-F249 WeakPolarHBondContact O-CB 3.32Å; L245-F249 PolarHBondContact O-N 3.11Å |
| 246 | P | 60.8 | Low | 67.2 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.9 | -43 | 173.1 | -28.9 | 34.4 | 0 | 0 | 0 | 114.1 | C242 F249 V250 | C242-P246 WeakPolarHBondContact O-CD 3.47Å; P246-F249 PolarHBondContact O-N 3.5Å; P246-V250 VanDerWaalsContact O-CG2 3.31Å; P246-V250 WeakPolarHBondContact O-CG2 3.4Å; P246-V250 PolarHBondContact O-N 3.44Å |
| 247 | T | 64.5 | Low | 67.3 | Low | 87 Ų | 87 | 102.7 Ų | 102.7 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.7 | -42.9 | -178.1 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | Q244 L245 F249 V250 E251 | Q244-T247 PolarHBondContact O-N 3.33Å; Q244-T247 VanDerWaalsContact O-N 3.15Å; Q244-T247 PolarHBondContact O-OG1 3.36Å; L245-T247 PolarHBondContact O-N 3.45Å; T247-F249 VanDerWaalsContact C-N 3.32Å; T247-F249 PolarHBondContact O-N 3.25Å; T247-V250 PolarHBondContact O-N 3.33Å; T247-E251 PolarHBondContact O-N 2.87Å |
| 248 | Q | 66.2 | Low | 67.6 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 173.8 | -66.1 | -179.4 | 5.8 | 0 | 0 | 112 | Q244 L245 E251 L252 F292 | Q244-Q248 WeakPolarHBondContact O-CG 3.44Å; Q244-Q248 PolarHBondContact O-N 2.72Å; L245-Q248 PolarHBondContact O-N 2.82Å; Q248-E251 PolarHBondContact O-N 3.43Å; Q248-L252 WeakPolarHBondContact O-CB 3.38Å; Q248-L252 PolarHBondContact O-N 3.08Å; Q248-F292 HydrophobicContact CG-CZ 4.34Å |
| 249 | F | 69.9 | Low | 68.1 | Low | 126 Ų | 126 | 92.2 Ų | 92.2 | 55% | 0.553 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.8 | -37.5 | 177.7 | -165.7 | -104.4 | 0 | 0 | 0 | 112.5 | L245 P246 T247 L252 L253 | L245-F249 VanDerWaalsContact O-CB 3.25Å; L245-F249 WeakPolarHBondContact O-CB 3.32Å; L245-F249 PolarHBondContact O-N 3.11Å; P246-F249 PolarHBondContact O-N 3.5Å; T247-F249 VanDerWaalsContact C-N 3.32Å; T247-F249 PolarHBondContact O-N 3.25Å; F249-L252 HydrophobicContact CD2-CD2 4.43Å; F249-L252 PolarHBondContact O-N 2.9Å; F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.19Å; F249-L253 HydrophobicContact CE1-CD1 3.63Å; F249-L253 HydrophobicContact CE1-CD2 4.36Å; F249-L253 HydrophobicContact CE1-CG 4.01Å; F249-L253 HydrophobicContact CZ-CD1 4.48Å; F249-L253 HydrophobicContact CZ-CD2 4.44Å; F249-L253 HydrophobicContact CZ-CG 4.45Å; F249-L253 WeakPolarHBondContact O-CB 3.22Å; F249-L253 WeakPolarHBondContact O-CG 3.32Å; F249-L253 PolarHBondContact O-N 3.2Å |
| 250 | V | 73.7 | Confident | 68.7 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 173 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | P246 T247 L253 K254 | P246-V250 VanDerWaalsContact O-CG2 3.31Å; P246-V250 WeakPolarHBondContact O-CG2 3.4Å; P246-V250 PolarHBondContact O-N 3.44Å; T247-V250 PolarHBondContact O-N 3.33Å; V250-L253 PolarHBondContact O-N 3.25Å; V250-K254 HydrophobicContact CG1-CD 4.26Å; V250-K254 WeakPolarHBondContact O-CG 3.28Å; V250-K254 PolarHBondContact O-N 3.44Å |
| 251 | E | 68.7 | Low | 69.4 | Low | 49 Ų | 49 | 91.8 Ų | 91.8 | 23% | 0.229 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 176.3 | -67.3 | -46.2 | 130 | 0 | 0 | 112.9 | T247 Q248 K254 S255 F292 | T247-E251 PolarHBondContact O-N 2.87Å; Q248-E251 PolarHBondContact O-N 3.43Å; E251-K254 PolarHBondContact O-N 2.88Å; E251-K254 WeakPolarHBondContact OE1-CD 3.46Å; E251-K254 WeakPolarHBondContact OE1-CE 3.29Å; E251-K254 IonicContact OE1-NZ 2.94Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 VanDerWaalsContact OE2-CD 3.22Å; E251-K254 WeakPolarHBondContact OE2-CD 2.93Å; E251-K254 IonicContact OE2-NZ 3.24Å; E251-S255 WeakPolarHBondContact O-CB 3.21Å; E251-S255 PolarHBondContact O-N 3.19Å; E251-F292 HydrophobicContact CB-CD2 4.3Å; E251-F292 HydrophobicContact CB-CE2 3.8Å; E251-F292 HydrophobicContact CG-CE2 4.47Å |
| 252 | L | 72.2 | Confident | 70.2 | Confident | 87 Ų | 87 | 86.6 Ų | 86.6 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 171.8 | -177.5 | 65.8 | 0 | 0 | 0 | 111.5 | Q248 F249 S255 T256 | Q248-L252 WeakPolarHBondContact O-CB 3.38Å; Q248-L252 PolarHBondContact O-N 3.08Å; F249-L252 HydrophobicContact CD2-CD2 4.43Å; F249-L252 PolarHBondContact O-N 2.9Å; L252-S255 PolarHBondContact O-N 2.65Å; L252-T256 VanDerWaalsContact O-CG2 3.31Å; L252-T256 WeakPolarHBondContact O-CG2 3.42Å; L252-T256 PolarHBondContact O-N 3.02Å |
| 253 | L | 74.5 | Confident | 70.9 | Confident | 89 Ų | 89 | 89.1 Ų | 89.1 | 47% | 0.466 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.2 | -74.9 | 177.3 | 0 | 0 | 0 | 111.5 | F249 V250 S255 T256 H257 | F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.19Å; F249-L253 HydrophobicContact CE1-CD1 3.63Å; F249-L253 HydrophobicContact CE1-CD2 4.36Å; F249-L253 HydrophobicContact CE1-CG 4.01Å; F249-L253 HydrophobicContact CZ-CD1 4.48Å; F249-L253 HydrophobicContact CZ-CD2 4.44Å; F249-L253 HydrophobicContact CZ-CG 4.45Å; F249-L253 WeakPolarHBondContact O-CB 3.22Å; F249-L253 WeakPolarHBondContact O-CG 3.32Å; F249-L253 PolarHBondContact O-N 3.2Å; V250-L253 PolarHBondContact O-N 3.25Å; L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.45Å; L253-T256 PolarHBondContact O-N 2.95Å; L253-T256 PolarHBondContact O-OG1 3.46Å; L253-H257 PolarHBondContact O-N 2.93Å |
| 254 | K | 75.9 | Confident | 71.9 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 174.1 | -73.2 | 167.1 | 176.6 | 177.8 | 0 | 111.6 | V250 E251 H257 R258 | V250-K254 HydrophobicContact CG1-CD 4.26Å; V250-K254 WeakPolarHBondContact O-CG 3.28Å; V250-K254 PolarHBondContact O-N 3.44Å; E251-K254 PolarHBondContact O-N 2.88Å; E251-K254 WeakPolarHBondContact OE1-CD 3.46Å; E251-K254 WeakPolarHBondContact OE1-CE 3.29Å; E251-K254 IonicContact OE1-NZ 2.94Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 VanDerWaalsContact OE2-CD 3.22Å; E251-K254 WeakPolarHBondContact OE2-CD 2.93Å; E251-K254 IonicContact OE2-NZ 3.24Å; K254-H257 PolarHBondContact O-N 2.91Å; K254-R258 WeakPolarHBondContact O-CG 3.38Å; K254-R258 PolarHBondContact O-N 3.3Å |
| 255 | S | 73.2 | Confident | 72.8 | Confident | 25 Ų | 25 | 85 Ų | 85 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | E251 L252 L253 H257 R258 G259 E288 | E251-S255 WeakPolarHBondContact O-CB 3.21Å; E251-S255 PolarHBondContact O-N 3.19Å; L252-S255 PolarHBondContact O-N 2.65Å; L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.45Å; S255-H257 VanDerWaalsContact C-N 3.31Å; S255-H257 PolarHBondContact O-N 3.17Å; S255-R258 PolarHBondContact O-N 2.99Å; S255-G259 PolarHBondContact O-N 3.05Å; S255-E288 WeakPolarHBondContact CB-OE2 3.44Å; S255-E288 PolarHBondContact OG-OE2 3.35Å |
| 256 | T | 74.5 | Confident | 73.7 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | L252 L253 R260 | L252-T256 VanDerWaalsContact O-CG2 3.31Å; L252-T256 WeakPolarHBondContact O-CG2 3.42Å; L252-T256 PolarHBondContact O-N 3.02Å; L253-T256 PolarHBondContact O-N 2.95Å; L253-T256 PolarHBondContact O-OG1 3.46Å; T256-R260 PolarHBondContact O-N 3.16Å; T256-R260 VanDerWaalsContact O-N 3.09Å |
| 257 | H | 76.8 | Confident | 74.5 | Confident | 128 Ų | 128 | 78 Ų | 78 | 59% | 0.593 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.5 | -44.1 | 174.4 | -177.3 | 69.5 | 0 | 0 | 0 | 111.7 | L253 K254 S255 G259 R260 K261 | L253-H257 PolarHBondContact O-N 2.93Å; K254-H257 PolarHBondContact O-N 2.91Å; S255-H257 VanDerWaalsContact C-N 3.31Å; S255-H257 PolarHBondContact O-N 3.17Å; H257-G259 VanDerWaalsContact C-N 3.32Å; H257-G259 PolarHBondContact O-N 3.13Å; H257-R260 PolarHBondContact O-N 3.5Å; H257-K261 PolarHBondContact O-N 3.16Å |
| 258 | R | 74.4 | Confident | 75.2 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 172.8 | -68.7 | -171.6 | -68.6 | -98.8 | 1.3 | 111.5 | K254 S255 R260 K261 F262 Y284 E288 | K254-R258 WeakPolarHBondContact O-CG 3.38Å; K254-R258 PolarHBondContact O-N 3.3Å; S255-R258 PolarHBondContact O-N 2.99Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 3.3Å; R258-K261 PolarHBondContact O-N 3.46Å; R258-F262 WeakPolarHBondContact O-CB 3.49Å; R258-F262 PolarHBondContact O-N 2.84Å; R258-Y284 HydrophobicContact CB-CE1 4.45Å; R258-Y284 WeakPolarHBondContact CB-OH 3.18Å; R258-E288 IonicContact CZ-OE1 3.63Å; R258-E288 IonicContact CZ-OE2 3.95Å; R258-E288 VanDerWaalsContact CZ-OE2 3.24Å; R258-E288 IonicContact NE-OE1 3.72Å; R258-E288 PolarHBondContact NE-OE1 2.91Å; R258-E288 VanDerWaalsContact NE-OE1 3.1Å; R258-E288 IonicContact NE-OE2 3.1Å; R258-E288 PolarHBondContact NE-OE2 2.93Å; R258-E288 IonicContact NH2-OE2 3.7Å; R258-E288 PolarHBondContact NH2-OE2 3.42Å |
| 259 | G | 76.2 | Confident | 75.8 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.4 | -30.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S255 H257 Y263 Y284 | S255-G259 PolarHBondContact O-N 3.05Å; H257-G259 VanDerWaalsContact C-N 3.32Å; H257-G259 PolarHBondContact O-N 3.13Å; G259-Y263 PolarHBondContact O-N 3.33Å; G259-Y284 VanDerWaalsContact CA-CE1 3.47Å |
| 260 | R | 77.7 | Confident | 76 | Confident | 165 Ų | 165 | 73.9 Ų | 73.9 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.9 | -48.7 | 170.1 | -173.3 | -174.8 | -64.5 | -174 | -1 | 111.3 | T256 H257 R258 F262 Y263 E264 | T256-R260 PolarHBondContact O-N 3.16Å; T256-R260 VanDerWaalsContact O-N 3.09Å; H257-R260 PolarHBondContact O-N 3.5Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 3.3Å; R260-F262 VanDerWaalsContact C-N 3.27Å; R260-F262 PolarHBondContact O-N 3.3Å; R260-Y263 WeakPolarHBondContact O-CA 3.4Å; R260-Y263 WeakPolarHBondContact O-CB 3.19Å; R260-Y263 PolarHBondContact O-N 3.09Å; R260-E264 WeakPolarHBondContact CD-OE1 3.42Å; R260-E264 WeakPolarHBondContact CG-OE1 3.39Å; R260-E264 PolarHBondContact O-N 3.34Å |
| 261 | K | 79.5 | Confident | 76.2 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 179.2 | -171.5 | 175.6 | -178.2 | 179.2 | 0 | 112.4 | H257 R258 E264 L265 | H257-K261 PolarHBondContact O-N 3.16Å; R258-K261 PolarHBondContact O-N 3.46Å; K261-E264 PolarHBondContact O-N 2.89Å; K261-L265 HydrophobicContact CG-CD1 4.18Å; K261-L265 WeakPolarHBondContact O-CG 3.43Å; K261-L265 PolarHBondContact O-N 3.25Å |
| 262 | F | 76.9 | Confident | 76.5 | Confident | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 171.3 | 172.8 | -102.5 | 0 | 0 | 0 | 112.4 | R258 R260 I266 L280 Y284 L302 F305 V306 | R258-F262 WeakPolarHBondContact O-CB 3.49Å; R258-F262 PolarHBondContact O-N 2.84Å; R260-F262 VanDerWaalsContact C-N 3.27Å; R260-F262 PolarHBondContact O-N 3.3Å; F262-I266 HydrophobicContact CD2-CD1 4.26Å; F262-I266 HydrophobicContact CD2-CG1 4.42Å; F262-I266 HydrophobicContact CE1-CD1 4.01Å; F262-I266 HydrophobicContact CE2-CD1 3.37Å; F262-I266 HydrophobicContact CE2-CG1 3.98Å; F262-I266 HydrophobicContact CZ-CD1 3.21Å; F262-I266 HydrophobicContact CZ-CG1 4.12Å; F262-I266 PolarHBondContact O-N 3.36Å; F262-I266 VanDerWaalsContact O-N 3.07Å; F262-L280 HydrophobicContact CE1-CB 4.31Å; F262-L280 HydrophobicContact CZ-CB 4.44Å; F262-Y284 HydrophobicContact CB-CD1 4.35Å; F262-Y284 HydrophobicContact CB-CE1 4.27Å; F262-Y284 HydrophobicContact CD1-CD1 4.19Å; F262-Y284 HydrophobicContact CD1-CG 4.12Å; F262-Y284 HydrophobicContact CE1-CG 4.39Å; F262-Y284 HydrophobicContact CG-CD1 4.28Å; F262-Y284 HydrophobicContact CG-CG 4.24Å; F262-L302 HydrophobicContact CB-CD1 3.87Å; F262-L302 HydrophobicContact CD2-CD1 3.86Å; F262-L302 HydrophobicContact CG-CD1 4.34Å; F262-F305 HydrophobicContact CD2-CD1 4.13Å; F262-F305 HydrophobicContact CD2-CE1 4.46Å; F262-F305 HydrophobicContact CE1-CE1 4.18Å; F262-F305 AromaticContact CE2-CD1 3.47Å; F262-F305 HydrophobicContact CE2-CD1 3.47Å; F262-F305 VanDerWaalsContact CE2-CD1 3.47Å; F262-F305 AromaticContact CE2-CE1 3.59Å; F262-F305 HydrophobicContact CE2-CE1 3.59Å; F262-F305 AromaticContact CZ-CD1 3.85Å; F262-F305 HydrophobicContact CZ-CD1 3.85Å; F262-F305 AromaticContact CZ-CE1 3.43Å; F262-F305 HydrophobicContact CZ-CE1 3.43Å; F262-F305 VanDerWaalsContact CZ-CE1 3.43Å; F262-V306 HydrophobicContact CD2-CG2 4.01Å; F262-V306 HydrophobicContact CE2-CG2 3.83Å |
| 263 | Y | 75.4 | Confident | 76.9 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.7 | -177.2 | -87.3 | 0 | 0 | 0 | 112.4 | G259 R260 G267 M277 | G259-Y263 PolarHBondContact O-N 3.33Å; R260-Y263 WeakPolarHBondContact O-CA 3.4Å; R260-Y263 WeakPolarHBondContact O-CB 3.19Å; R260-Y263 PolarHBondContact O-N 3.09Å; Y263-G267 PolarHBondContact O-N 3.5Å; Y263-M277 HydrophobicContact CD2-CE 3.44Å; Y263-M277 VanDerWaalsContact CD2-CE 3.44Å; Y263-M277 HydrophobicContact CE2-CB 4.42Å; Y263-M277 HydrophobicContact CE2-CE 3.41Å; Y263-M277 VanDerWaalsContact CE2-CE 3.41Å; Y263-M277 HydrophobicContact CG-CE 4.18Å |
| 264 | E | 80.6 | Confident | 77.2 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.3 | -53.9 | 176.1 | -70.6 | 161 | -178.6 | 0 | 0 | 110.6 | R260 K261 I266 G267 E268 | R260-E264 WeakPolarHBondContact CD-OE1 3.42Å; R260-E264 WeakPolarHBondContact CG-OE1 3.39Å; R260-E264 PolarHBondContact O-N 3.34Å; K261-E264 PolarHBondContact O-N 2.89Å; E264-I266 PolarHBondContact O-N 3.46Å; E264-G267 PolarHBondContact O-N 3.35Å; E264-E268 WeakPolarHBondContact O-CB 3.42Å; E264-E268 WeakPolarHBondContact O-CG 3.33Å; E264-E268 PolarHBondContact O-N 2.75Å |
| 265 | L | 79 | Confident | 77.4 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | -179.9 | -72 | 167.5 | 0 | 0 | 0 | 113.6 | K261 S269 L302 | K261-L265 HydrophobicContact CG-CD1 4.18Å; K261-L265 WeakPolarHBondContact O-CG 3.43Å; K261-L265 PolarHBondContact O-N 3.25Å; L265-S269 VanDerWaalsContact O-CB 3.28Å; L265-S269 WeakPolarHBondContact O-CB 3.26Å; L265-S269 PolarHBondContact O-N 3.31Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L265-S269 PolarHBondContact O-OG 2.79Å; L265-L302 HydrophobicContact CD1-CD2 3.84Å |
| 266 | I | 76.7 | Confident | 77.7 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.3 | -42.2 | 177.7 | -73.1 | -157.7 | 0 | 0 | 0 | 111.7 | F262 E264 E268 S269 F270 I272 M277 L280 | F262-I266 HydrophobicContact CD2-CD1 4.26Å; F262-I266 HydrophobicContact CD2-CG1 4.42Å; F262-I266 HydrophobicContact CE1-CD1 4.01Å; F262-I266 HydrophobicContact CE2-CD1 3.37Å; F262-I266 HydrophobicContact CE2-CG1 3.98Å; F262-I266 HydrophobicContact CZ-CD1 3.21Å; F262-I266 HydrophobicContact CZ-CG1 4.12Å; F262-I266 PolarHBondContact O-N 3.36Å; F262-I266 VanDerWaalsContact O-N 3.07Å; E264-I266 PolarHBondContact O-N 3.46Å; I266-E268 VanDerWaalsContact C-N 3.28Å; I266-E268 PolarHBondContact O-N 3.1Å; I266-S269 PolarHBondContact O-N 3.32Å; I266-F270 HydrophobicContact CG2-CD2 4.28Å; I266-F270 PolarHBondContact O-N 3.36Å; I266-I272 HydrophobicContact CG2-CD1 3.5Å; I266-I272 VanDerWaalsContact CG2-CD1 3.5Å; I266-I272 HydrophobicContact CG2-CG1 4.28Å; I266-M277 HydrophobicContact CB-CE 4.38Å; I266-M277 HydrophobicContact CG2-CE 3.83Å; I266-M277 HydrophobicContact CG2-SD 3.62Å; I266-L280 HydrophobicContact CD1-CD1 4.35Å; I266-L280 HydrophobicContact CG2-CD1 4.49Å |
| 267 | G | 77.5 | Confident | 77.9 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -27.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y263 E264 R323 | Y263-G267 PolarHBondContact O-N 3.5Å; E264-G267 PolarHBondContact O-N 3.35Å; G267-R323 PolarHBondContact O-NH1 3.18Å |
| 268 | E | 79.1 | Confident | 77.9 | Confident | 137 Ų | 137 | 71 Ų | 71 | 64% | 0.64 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.6 | -46.6 | 170.7 | -73.2 | 173.6 | -179.8 | 0 | 0 | 111.5 | E264 I266 | E264-E268 WeakPolarHBondContact O-CB 3.42Å; E264-E268 WeakPolarHBondContact O-CG 3.33Å; E264-E268 PolarHBondContact O-N 2.75Å; I266-E268 VanDerWaalsContact C-N 3.28Å; I266-E268 PolarHBondContact O-N 3.1Å |
| 269 | S | 78.5 | Confident | 78.2 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.1 | -29.7 | -171.8 | -54.5 | 0 | 0 | 0 | 0 | 115 | L265 I266 R323 | L265-S269 VanDerWaalsContact O-CB 3.28Å; L265-S269 WeakPolarHBondContact O-CB 3.26Å; L265-S269 PolarHBondContact O-N 3.31Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L265-S269 PolarHBondContact O-OG 2.79Å; I266-S269 PolarHBondContact O-N 3.32Å; S269-R323 PolarHBondContact O-N 3.09Å |
| 270 | F | 75.9 | Confident | 78.4 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -138.9 | 137.1 | -166 | -56.2 | -70.5 | 0 | 0 | 0 | 113 | I266 I272 M310 V320 V322 | I266-F270 HydrophobicContact CG2-CD2 4.28Å; I266-F270 PolarHBondContact O-N 3.36Å; F270-I272 HydrophobicContact CB-CD1 3.96Å; F270-I272 HydrophobicContact CB-CG1 3.59Å; F270-I272 PolarHBondContact O-N 2.91Å; F270-M310 HydrophobicContact CD1-CE 4.03Å; F270-M310 HydrophobicContact CD1-SD 4.27Å; F270-M310 HydrophobicContact CD2-SD 4.2Å; F270-M310 HydrophobicContact CE1-CE 3.42Å; F270-M310 VanDerWaalsContact CE1-CE 3.42Å; F270-M310 HydrophobicContact CE1-SD 3.88Å; F270-M310 HydrophobicContact CE2-CE 4.4Å; F270-M310 HydrophobicContact CE2-CG 4.4Å; F270-M310 HydrophobicContact CE2-SD 3.81Å; F270-M310 HydrophobicContact CG-SD 4.42Å; F270-M310 HydrophobicContact CZ-CE 3.64Å; F270-M310 HydrophobicContact CZ-CG 4.2Å; F270-M310 HydrophobicContact CZ-SD 3.64Å; F270-V320 HydrophobicContact CB-CG1 3.87Å; F270-V320 HydrophobicContact CD1-CG1 3.5Å; F270-V320 VanDerWaalsContact CD1-CG1 3.5Å; F270-V320 HydrophobicContact CE1-CG1 4.3Å; F270-V320 HydrophobicContact CG-CG1 3.88Å; F270-V322 HydrophobicContact CD1-CB 4.31Å; F270-V322 HydrophobicContact CD1-CG1 4.23Å; F270-V322 HydrophobicContact CD1-CG2 4.08Å; F270-V322 HydrophobicContact CE1-CB 4.31Å; F270-V322 HydrophobicContact CE1-CG1 3.92Å; F270-V322 HydrophobicContact CE1-CG2 3.88Å |
| 271 | E | 77.6 | Confident | 78.3 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | trans | -83.1 | 67.9 | 173.1 | -55.5 | -155.8 | 142.9 | 0 | 0 | 111.2 | P273 V321 R323 | E271-P273 WeakPolarHBondContact O-CD 2.99Å; E271-V321 HydrophobicContact CB-CB 4.33Å; E271-V321 PolarHBondContact N-O 3.44Å; E271-R323 HydrophobicContact CG-CG 3.85Å; E271-R323 IonicContact OE1-CZ 3.21Å; E271-R323 IonicContact OE1-NE 2.85Å; E271-R323 PolarHBondContact OE1-NE 3.31Å; E271-R323 IonicContact OE1-NH2 2.72Å; E271-R323 PolarHBondContact OE1-NH2 3.4Å | ||
| 272 | I | 75.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | trans | -83.5 | 123.4 | -179 | -55.7 | -167.4 | 0 | 0 | 0 | 110.1 | I266 F270 A274 M277 L280 L313 V320 | I266-I272 HydrophobicContact CG2-CD1 3.5Å; I266-I272 VanDerWaalsContact CG2-CD1 3.5Å; I266-I272 HydrophobicContact CG2-CG1 4.28Å; F270-I272 HydrophobicContact CB-CD1 3.96Å; F270-I272 HydrophobicContact CB-CG1 3.59Å; F270-I272 PolarHBondContact O-N 2.91Å; I272-A274 PolarHBondContact O-N 3.35Å; I272-M277 HydrophobicContact CB-CG 4.07Å; I272-M277 HydrophobicContact CB-SD 3.72Å; I272-M277 HydrophobicContact CD1-SD 4.21Å; I272-M277 HydrophobicContact CG1-SD 4.39Å; I272-M277 HydrophobicContact CG2-CG 3.9Å; I272-M277 HydrophobicContact CG2-SD 3.83Å; I272-L280 HydrophobicContact CD1-CD1 3.57Å; I272-L280 HydrophobicContact CG2-CD1 4.23Å; I272-L313 HydrophobicContact CD1-CD1 3.95Å; I272-V320 HydrophobicContact CG1-CG1 4.38Å | ||
| 273 | P | 80 | Confident | 78.3 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | trans | -56.8 | 138.7 | 174.3 | -23.1 | 31 | 0 | 0 | 0 | 111.7 | E271 A275 Y276 M277 | E271-P273 WeakPolarHBondContact O-CD 2.99Å; P273-A275 PolarHBondContact O-N 2.93Å; P273-Y276 HydrophobicContact CB-CD2 3.86Å; P273-Y276 HydrophobicContact CB-CE2 4.22Å; P273-Y276 HydrophobicContact CG-CD2 3.93Å; P273-Y276 HydrophobicContact CG-CE2 4.12Å; P273-Y276 PolarHBondContact O-N 2.92Å; P273-M277 PolarHBondContact O-N 3.38Å | ||
| 274 | A | 80.5 | Confident | 78.4 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54 | -28.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I272 M277 L278 | I272-A274 PolarHBondContact O-N 3.35Å; A274-M277 PolarHBondContact O-N 3.4Å; A274-L278 PolarHBondContact O-N 3.37Å |
| 275 | A | 79.5 | Confident | 78.1 | Confident | 69 Ų | 69 | 64 Ų | 64 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P273 L278 | P273-A275 PolarHBondContact O-N 2.93Å; A275-L278 PolarHBondContact O-N 3.37Å |
| 276 | Y | 79.1 | Confident | 78.1 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -76.3 | -29.1 | 178.9 | -58.3 | -71 | 0 | 0 | 0 | 112.2 | P273 L278 V279 L280 L318 | P273-Y276 HydrophobicContact CB-CD2 3.86Å; P273-Y276 HydrophobicContact CB-CE2 4.22Å; P273-Y276 HydrophobicContact CG-CD2 3.93Å; P273-Y276 HydrophobicContact CG-CE2 4.12Å; P273-Y276 PolarHBondContact O-N 2.92Å; Y276-L278 PolarHBondContact O-N 3.45Å; Y276-V279 WeakPolarHBondContact O-CB 3.12Å; Y276-V279 PolarHBondContact O-N 3.03Å; Y276-L280 WeakPolarHBondContact O-CG 3.47Å; Y276-L280 PolarHBondContact O-N 3.45Å; Y276-L318 HydrophobicContact CD1-CD1 3.65Å; Y276-L318 HydrophobicContact CD1-CD2 4.4Å; Y276-L318 HydrophobicContact CE1-CD1 3.58Å; Y276-L318 HydrophobicContact CE1-CD2 3.53Å; Y276-L318 HydrophobicContact CE1-CG 4.17Å; Y276-L318 HydrophobicContact CG-CD1 4.46Å; Y276-L318 WeakPolarHBondContact OH-CD2 3.37Å |
| 277 | M | 79 | Confident | 78.2 | Confident | 17 Ų | 17 | 70 Ų | 70 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.3 | -34.4 | 172.6 | -70.1 | -61.5 | -74 | 0 | 0 | 112.6 | Y263 I266 I272 P273 A274 L280 R281 | Y263-M277 HydrophobicContact CD2-CE 3.44Å; Y263-M277 VanDerWaalsContact CD2-CE 3.44Å; Y263-M277 HydrophobicContact CE2-CB 4.42Å; Y263-M277 HydrophobicContact CE2-CE 3.41Å; Y263-M277 VanDerWaalsContact CE2-CE 3.41Å; Y263-M277 HydrophobicContact CG-CE 4.18Å; I266-M277 HydrophobicContact CB-CE 4.38Å; I266-M277 HydrophobicContact CG2-CE 3.83Å; I266-M277 HydrophobicContact CG2-SD 3.62Å; I272-M277 HydrophobicContact CB-CG 4.07Å; I272-M277 HydrophobicContact CB-SD 3.72Å; I272-M277 HydrophobicContact CD1-SD 4.21Å; I272-M277 HydrophobicContact CG1-SD 4.39Å; I272-M277 HydrophobicContact CG2-CG 3.9Å; I272-M277 HydrophobicContact CG2-SD 3.83Å; P273-M277 PolarHBondContact O-N 3.38Å; A274-M277 PolarHBondContact O-N 3.4Å; M277-L280 HydrophobicContact SD-CD1 4.2Å; M277-R281 VanDerWaalsContact O-CB 3.31Å; M277-R281 WeakPolarHBondContact O-CB 3.29Å; M277-R281 PolarHBondContact O-N 3.37Å |
| 278 | L | 77.4 | Confident | 78.1 | Confident | 118 Ų | 118 | 69 Ų | 69 | 62% | 0.618 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.3 | -39.4 | 173.1 | -67.6 | 176 | 0 | 0 | 0 | 112.3 | A274 A275 Y276 R281 A282 | A274-L278 PolarHBondContact O-N 3.37Å; A275-L278 PolarHBondContact O-N 3.37Å; Y276-L278 PolarHBondContact O-N 3.45Å; L278-R281 PolarHBondContact O-N 3.14Å; L278-A282 WeakPolarHBondContact O-CB 3.12Å; L278-A282 PolarHBondContact O-N 3.17Å |
| 279 | V | 80.2 | Confident | 77.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 176 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | Y276 R281 A282 L283 | Y276-V279 WeakPolarHBondContact O-CB 3.12Å; Y276-V279 PolarHBondContact O-N 3.03Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 3.46Å; V279-A282 PolarHBondContact O-N 2.84Å; V279-A282 VanDerWaalsContact O-N 3.15Å; V279-L283 HydrophobicContact CG1-CD1 4.05Å; V279-L283 HydrophobicContact CG1-CG 4.39Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 3.29Å |
| 280 | L | 79.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 176.2 | -69.5 | 171.8 | 0 | 0 | 0 | 111.9 | F262 I266 I272 Y276 M277 L283 Y284 A309 L313 | F262-L280 HydrophobicContact CE1-CB 4.31Å; F262-L280 HydrophobicContact CZ-CB 4.44Å; I266-L280 HydrophobicContact CD1-CD1 4.35Å; I266-L280 HydrophobicContact CG2-CD1 4.49Å; I272-L280 HydrophobicContact CD1-CD1 3.57Å; I272-L280 HydrophobicContact CG2-CD1 4.23Å; Y276-L280 WeakPolarHBondContact O-CG 3.47Å; Y276-L280 PolarHBondContact O-N 3.45Å; M277-L280 HydrophobicContact SD-CD1 4.2Å; L280-L283 PolarHBondContact O-N 2.9Å; L280-Y284 WeakPolarHBondContact O-CB 3.36Å; L280-Y284 PolarHBondContact O-N 3.13Å; L280-A309 HydrophobicContact CD2-CB 3.94Å; L280-L313 HydrophobicContact CD1-CD1 4.11Å; L280-L313 HydrophobicContact CD2-CD1 4.14Å; L280-L313 HydrophobicContact CD2-CD2 4.27Å; L280-L313 HydrophobicContact CD2-CG 4.26Å |
| 281 | R | 75.8 | Confident | 77.4 | Confident | 165 Ų | 165 | 71 Ų | 71 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 174.2 | -177.4 | 179.5 | 179.1 | -175.8 | -0.3 | 111.8 | M277 L278 V279 Y284 S285 | M277-R281 VanDerWaalsContact O-CB 3.31Å; M277-R281 WeakPolarHBondContact O-CB 3.29Å; M277-R281 PolarHBondContact O-N 3.37Å; L278-R281 PolarHBondContact O-N 3.14Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 3.46Å; R281-Y284 PolarHBondContact O-N 2.63Å; R281-S285 WeakPolarHBondContact O-CB 3.23Å; R281-S285 PolarHBondContact O-N 3.36Å; R281-S285 PolarHBondContact O-OG 3.2Å; R281-S285 VanDerWaalsContact O-OG 3.05Å |
| 282 | A | 76.2 | Confident | 76.8 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 51% | 0.512 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L278 V279 K286 | L278-A282 WeakPolarHBondContact O-CB 3.12Å; L278-A282 PolarHBondContact O-N 3.17Å; V279-A282 PolarHBondContact O-N 2.84Å; V279-A282 VanDerWaalsContact O-N 3.15Å; A282-K286 VanDerWaalsContact O-CB 3.29Å; A282-K286 WeakPolarHBondContact O-CB 3.23Å; A282-K286 PolarHBondContact O-N 3.31Å |
| 283 | L | 80.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.7 | -69.5 | 174.5 | 0 | 0 | 0 | 112 | V279 L280 K286 K287 F305 | V279-L283 HydrophobicContact CG1-CD1 4.05Å; V279-L283 HydrophobicContact CG1-CG 4.39Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 3.29Å; L280-L283 PolarHBondContact O-N 2.9Å; L283-K286 PolarHBondContact O-N 3.24Å; L283-K287 PolarHBondContact O-N 3.36Å; L283-F305 HydrophobicContact CB-CZ 4.09Å |
| 284 | Y | 78.8 | Confident | 76.3 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65 | -50 | 177 | -175.9 | -114.2 | 0 | 0 | 0 | 111.7 | R258 G259 F262 L280 R281 K286 K287 E288 F305 | R258-Y284 HydrophobicContact CB-CE1 4.45Å; R258-Y284 WeakPolarHBondContact CB-OH 3.18Å; G259-Y284 VanDerWaalsContact CA-CE1 3.47Å; F262-Y284 HydrophobicContact CB-CD1 4.35Å; F262-Y284 HydrophobicContact CB-CE1 4.27Å; F262-Y284 HydrophobicContact CD1-CD1 4.19Å; F262-Y284 HydrophobicContact CD1-CG 4.12Å; F262-Y284 HydrophobicContact CE1-CG 4.39Å; F262-Y284 HydrophobicContact CG-CD1 4.28Å; F262-Y284 HydrophobicContact CG-CG 4.24Å; L280-Y284 WeakPolarHBondContact O-CB 3.36Å; L280-Y284 PolarHBondContact O-N 3.13Å; R281-Y284 PolarHBondContact O-N 2.63Å; Y284-K286 PolarHBondContact O-N 3.42Å; Y284-K287 PolarHBondContact O-N 3.19Å; Y284-K287 VanDerWaalsContact O-N 3.15Å; Y284-E288 HydrophobicContact CD1-CG 4.22Å; Y284-E288 HydrophobicContact CD2-CG 4.34Å; Y284-E288 HydrophobicContact CE1-CG 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.81Å; Y284-E288 VanDerWaalsContact CZ-CG 3.43Å; Y284-E288 WeakPolarHBondContact O-CB 3.4Å; Y284-E288 PolarHBondContact O-N 3.37Å; Y284-E288 VanDerWaalsContact OH-CD 3.26Å; Y284-E288 PolarHBondContact OH-OE1 3.48Å; Y284-F305 VanDerWaalsContact CA-CZ 3.46Å; Y284-F305 VanDerWaalsContact CB-CE1 3.5Å; Y284-F305 HydrophobicContact CD2-CB 4.48Å; Y284-F305 AromaticContact CD2-CD1 3.35Å; Y284-F305 HydrophobicContact CD2-CD1 3.35Å; Y284-F305 HydrophobicContact CD2-CD2 4.39Å; Y284-F305 AromaticContact CD2-CE1 3.55Å; Y284-F305 HydrophobicContact CD2-CE1 3.55Å; Y284-F305 AromaticContact CD2-CG 3.79Å; Y284-F305 HydrophobicContact CD2-CG 3.79Å; Y284-F305 HydrophobicContact CD2-CZ 4.13Å; Y284-F305 HydrophobicContact CE2-CD1 4.12Å; Y284-F305 HydrophobicContact CE2-CG 4.35Å; Y284-F305 HydrophobicContact CG-CD1 4.16Å; Y284-F305 AromaticContact CG-CE1 3.93Å; Y284-F305 HydrophobicContact CG-CE1 3.93Å; Y284-F305 HydrophobicContact CG-CZ 4.45Å |
| 285 | S | 73.5 | Confident | 75.7 | Confident | 64 Ų | 64 | 73 Ų | 73 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.3 | -37 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 112 | R281 W289 | R281-S285 WeakPolarHBondContact O-CB 3.23Å; R281-S285 PolarHBondContact O-N 3.36Å; R281-S285 PolarHBondContact O-OG 3.2Å; R281-S285 VanDerWaalsContact O-OG 3.05Å; S285-W289 WeakPolarHBondContact O-CB 3.34Å; S285-W289 PolarHBondContact O-N 2.91Å |
| 286 | K | 79.6 | Confident | 75 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.5 | -48.7 | 174.4 | -172.9 | -176 | 174.3 | -171.9 | 0 | 111.6 | A282 L283 Y284 E288 W289 D290 | A282-K286 VanDerWaalsContact O-CB 3.29Å; A282-K286 WeakPolarHBondContact O-CB 3.23Å; A282-K286 PolarHBondContact O-N 3.31Å; L283-K286 PolarHBondContact O-N 3.24Å; Y284-K286 PolarHBondContact O-N 3.42Å; K286-E288 VanDerWaalsContact C-N 3.34Å; K286-E288 PolarHBondContact O-N 2.85Å; K286-W289 WeakPolarHBondContact O-CB 3.32Å; K286-W289 PolarHBondContact O-N 3.28Å; K286-W289 VanDerWaalsContact O-N 3.13Å; K286-D290 WeakPolarHBondContact CE-OD2 2.98Å; K286-D290 WeakPolarHBondContact O-CB 3.3Å; K286-D290 VanDerWaalsContact O-CG 3.28Å; K286-D290 PolarHBondContact O-N 2.89Å |
| 287 | K | 78.8 | Confident | 74.2 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 27% | 0.274 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 177.8 | -172.2 | -178.1 | 178.5 | -172.8 | 0 | 111.9 | L283 Y284 W289 D290 N291 F305 | L283-K287 PolarHBondContact O-N 3.36Å; Y284-K287 PolarHBondContact O-N 3.19Å; Y284-K287 VanDerWaalsContact O-N 3.15Å; K287-W289 VanDerWaalsContact C-N 3.33Å; K287-W289 PolarHBondContact O-N 3.05Å; K287-D290 PolarHBondContact O-N 2.99Å; K287-N291 WeakPolarHBondContact O-CB 3.35Å; K287-N291 VanDerWaalsContact O-CG 3.26Å; K287-N291 PolarHBondContact O-N 3.1Å; K287-N291 PolarHBondContact O-OD1 3.25Å; K287-F305 HydrophobicContact CB-CD2 4.41Å; K287-F305 HydrophobicContact CB-CE2 4.28Å; K287-F305 HydrophobicContact CD-CB 4.4Å; K287-F305 HydrophobicContact CD-CD2 3.36Å; K287-F305 HydrophobicContact CD-CE2 3.99Å; K287-F305 HydrophobicContact CD-CG 4.22Å; K287-F305 HydrophobicContact CG-CD2 4.49Å |
| 288 | E | 75.2 | Confident | 73 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 173.6 | -81.7 | -84.7 | 144.8 | 0 | 0 | 112.5 | S255 R258 Y284 K286 F292 Y297 | S255-E288 WeakPolarHBondContact CB-OE2 3.44Å; S255-E288 PolarHBondContact OG-OE2 3.35Å; R258-E288 IonicContact CZ-OE1 3.63Å; R258-E288 IonicContact CZ-OE2 3.95Å; R258-E288 VanDerWaalsContact CZ-OE2 3.24Å; R258-E288 IonicContact NE-OE1 3.72Å; R258-E288 PolarHBondContact NE-OE1 2.91Å; R258-E288 VanDerWaalsContact NE-OE1 3.1Å; R258-E288 IonicContact NE-OE2 3.1Å; R258-E288 PolarHBondContact NE-OE2 2.93Å; R258-E288 IonicContact NH2-OE2 3.7Å; R258-E288 PolarHBondContact NH2-OE2 3.42Å; Y284-E288 HydrophobicContact CD1-CG 4.22Å; Y284-E288 HydrophobicContact CD2-CG 4.34Å; Y284-E288 HydrophobicContact CE1-CG 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.81Å; Y284-E288 VanDerWaalsContact CZ-CG 3.43Å; Y284-E288 WeakPolarHBondContact O-CB 3.4Å; Y284-E288 PolarHBondContact O-N 3.37Å; Y284-E288 VanDerWaalsContact OH-CD 3.26Å; Y284-E288 PolarHBondContact OH-OE1 3.48Å; K286-E288 VanDerWaalsContact C-N 3.34Å; K286-E288 PolarHBondContact O-N 2.85Å; E288-F292 WeakPolarHBondContact O-CB 3.39Å; E288-F292 PolarHBondContact O-N 2.77Å; E288-Y297 PolarHBondContact O-OH 3.26Å |
| 289 | W | 69.4 | Low | 72 | Confident | 157 Ų | 157 | 77.9 Ų | 77.9 | 60% | 0.595 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.3 | -40 | 175.7 | -175.1 | -90.7 | 0 | 0 | 0 | 112.9 | S285 K286 K287 N291 F292 S293 | S285-W289 WeakPolarHBondContact O-CB 3.34Å; S285-W289 PolarHBondContact O-N 2.91Å; K286-W289 WeakPolarHBondContact O-CB 3.32Å; K286-W289 PolarHBondContact O-N 3.28Å; K286-W289 VanDerWaalsContact O-N 3.13Å; K287-W289 VanDerWaalsContact C-N 3.33Å; K287-W289 PolarHBondContact O-N 3.05Å; W289-N291 VanDerWaalsContact C-N 3.35Å; W289-F292 WeakPolarHBondContact O-CB 3.44Å; W289-F292 PolarHBondContact O-N 3.32Å; W289-S293 WeakPolarHBondContact O-CB 3.5Å; W289-S293 PolarHBondContact O-N 2.99Å; W289-S293 PolarHBondContact O-OG 3.05Å |
| 290 | D | 75.2 | Confident | 70.8 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.2 | -66.8 | -21.2 | 0 | 0 | 0 | 110.1 | K286 K287 S293 N294 | K286-D290 WeakPolarHBondContact CE-OD2 2.98Å; K286-D290 WeakPolarHBondContact O-CB 3.3Å; K286-D290 VanDerWaalsContact O-CG 3.28Å; K286-D290 PolarHBondContact O-N 2.89Å; K287-D290 PolarHBondContact O-N 2.99Å; D290-S293 PolarHBondContact O-OG 3.26Å; D290-S293 VanDerWaalsContact O-OG 3.09Å; D290-N294 WeakPolarHBondContact O-CB 3.39Å; D290-N294 VanDerWaalsContact O-CG 3.31Å; D290-N294 PolarHBondContact O-N 2.94Å; D290-N294 VanDerWaalsContact O-N 3.11Å; D290-N294 PolarHBondContact O-ND2 3.01Å |
| 291 | N | 73 | Confident | 70 | Confident | 38 Ų | 38 | 80.4 Ų | 80.4 | 20% | 0.203 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 171.2 | -76.2 | 9.2 | 0 | 0 | 0 | 111.9 | K287 W289 N294 G295 I296 | K287-N291 WeakPolarHBondContact O-CB 3.35Å; K287-N291 VanDerWaalsContact O-CG 3.26Å; K287-N291 PolarHBondContact O-N 3.1Å; K287-N291 PolarHBondContact O-OD1 3.25Å; W289-N291 VanDerWaalsContact C-N 3.35Å; N291-N294 PolarHBondContact O-N 3.45Å; N291-G295 PolarHBondContact O-N 2.79Å; N291-I296 PolarHBondContact O-N 3.24Å |
| 292 | F | 66.5 | Low | 69.6 | Low | 66 Ų | 66 | 74.9 Ų | 74.9 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.6 | -177.1 | -94.6 | 0 | 0 | 0 | 111.9 | Q248 E251 E288 W289 N294 G295 Y297 | Q248-F292 HydrophobicContact CG-CZ 4.34Å; E251-F292 HydrophobicContact CB-CD2 4.3Å; E251-F292 HydrophobicContact CB-CE2 3.8Å; E251-F292 HydrophobicContact CG-CE2 4.47Å; E288-F292 WeakPolarHBondContact O-CB 3.39Å; E288-F292 PolarHBondContact O-N 2.77Å; W289-F292 WeakPolarHBondContact O-CB 3.44Å; W289-F292 PolarHBondContact O-N 3.32Å; F292-N294 VanDerWaalsContact C-N 3.3Å; F292-N294 PolarHBondContact O-N 2.83Å; F292-G295 PolarHBondContact O-N 3.49Å; F292-Y297 HydrophobicContact CB-CE2 4.07Å; F292-Y297 WeakPolarHBondContact CB-OH 3.42Å; F292-Y297 AromaticContact CD2-CE2 3.72Å; F292-Y297 HydrophobicContact CD2-CE2 3.72Å; F292-Y297 HydrophobicContact CG-CE2 4.31Å |
| 293 | S | 69.1 | Low | 69.3 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -29.5 | -176.7 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | W289 D290 | W289-S293 WeakPolarHBondContact O-CB 3.5Å; W289-S293 PolarHBondContact O-N 2.99Å; W289-S293 PolarHBondContact O-OG 3.05Å; D290-S293 PolarHBondContact O-OG 3.26Å; D290-S293 VanDerWaalsContact O-OG 3.09Å |
| 294 | N | 75 | Confident | 68.9 | Low | 114 Ų | 114 | 79.2 Ų | 79.2 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -89.5 | -4 | 176.3 | -66.8 | -50.9 | 0 | 0 | 0 | 114 | D290 N291 F292 I296 | D290-N294 WeakPolarHBondContact O-CB 3.39Å; D290-N294 VanDerWaalsContact O-CG 3.31Å; D290-N294 PolarHBondContact O-N 2.94Å; D290-N294 VanDerWaalsContact O-N 3.11Å; D290-N294 PolarHBondContact O-ND2 3.01Å; N291-N294 PolarHBondContact O-N 3.45Å; F292-N294 VanDerWaalsContact C-N 3.3Å; F292-N294 PolarHBondContact O-N 2.83Å; N294-I296 VanDerWaalsContact C-N 3.27Å; N294-I296 HydrophobicContact CB-CD1 3.93Å; N294-I296 HydrophobicContact CB-CG1 3.96Å; N294-I296 PolarHBondContact O-N 3.17Å |
| 295 | G | 68.2 | Low | 68.6 | Low | 62 Ų | 62 | 79.5 Ų | 79.5 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 17.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N291 F292 Y297 | N291-G295 PolarHBondContact O-N 2.79Å; F292-G295 PolarHBondContact O-N 3.49Å; G295-Y297 PolarHBondContact O-N 3.46Å |
| 296 | I | 65.4 | Low | 68.5 | Low | 97 Ų | 97 | 78 Ų | 78 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | trans | -90.8 | 89.8 | -176 | -54.5 | 175 | 0 | 0 | 0 | 108.7 | N291 N294 | N291-I296 PolarHBondContact O-N 3.24Å; N294-I296 VanDerWaalsContact C-N 3.27Å; N294-I296 HydrophobicContact CB-CD1 3.93Å; N294-I296 HydrophobicContact CB-CG1 3.96Å; N294-I296 PolarHBondContact O-N 3.17Å | ||
| 297 | Y | 61.6 | Low | 68.4 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | trans | -125.7 | 40.6 | 179.9 | -84.1 | -54.8 | 0 | 0 | 0 | 114.6 | E288 F292 G295 | E288-Y297 PolarHBondContact O-OH 3.26Å; F292-Y297 HydrophobicContact CB-CE2 4.07Å; F292-Y297 WeakPolarHBondContact CB-OH 3.42Å; F292-Y297 AromaticContact CD2-CE2 3.72Å; F292-Y297 HydrophobicContact CD2-CE2 3.72Å; F292-Y297 HydrophobicContact CG-CE2 4.31Å; G295-Y297 PolarHBondContact O-N 3.46Å | ||
| 298 | D | 54.8 | Low | 68.3 | Low | 131 Ų | 131 | 75.6 Ų | 75.6 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -74.1 | 137.6 | 155.3 | -66.9 | -41.3 | 0 | 0 | 0 | 109.2 | Q300 | D298-Q300 PolarHBondContact O-N 3.39Š|
| 299 | G | 54.8 | Low | 68.2 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 92% | 0.918 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 25.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 300 | Q | 56.9 | Low | 68.4 | Low | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -18.9 | -171.9 | -63.9 | -175.9 | -99 | 0 | 0 | 114.8 | D298 L302 E304 | D298-Q300 PolarHBondContact O-N 3.39Å; Q300-L302 PolarHBondContact O-N 3.44Å; Q300-L302 VanDerWaalsContact O-N 3.11Å; Q300-E304 PolarHBondContact NE2-OE1 3.38Å |
| 301 | G | 62.4 | Low | 68.5 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.1 | -21 | -151.6 | 0 | 0 | 0 | 0 | 0 | 119 | F305 | G301-F305 WeakPolarHBondContact O-CB 3.46Å; G301-F305 PolarHBondContact O-N 2.94Å |
| 302 | L | 66.2 | Low | 68.5 | Low | 49 Ų | 49 | 73.5 Ų | 73.5 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -83.1 | -53.5 | -168.9 | -170.9 | 64 | 0 | 0 | 0 | 113.4 | F262 L265 Q300 F305 V306 | F262-L302 HydrophobicContact CB-CD1 3.87Å; F262-L302 HydrophobicContact CD2-CD1 3.86Å; F262-L302 HydrophobicContact CG-CD1 4.34Å; L265-L302 HydrophobicContact CD1-CD2 3.84Å; Q300-L302 PolarHBondContact O-N 3.44Å; Q300-L302 VanDerWaalsContact O-N 3.11Å; L302-F305 PolarHBondContact O-N 2.97Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.27Å |
| 303 | Q | 70.2 | Confident | 68.8 | Low | 140 Ų | 140 | 70.9 Ų | 70.9 | 65% | 0.654 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.5 | -49.3 | -178.7 | -179.9 | 176.1 | -18.7 | 0 | 0 | 110.7 | F305 V306 E307 | Q303-F305 PolarHBondContact O-N 3.1Å; Q303-V306 PolarHBondContact O-N 3.39Å; Q303-E307 HydrophobicContact CG-CG 4.5Å; Q303-E307 VanDerWaalsContact CG-OE1 3.29Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.39Å; Q303-E307 PolarHBondContact NE2-OE1 3.08Å; Q303-E307 WeakPolarHBondContact O-CG 3.45Å; Q303-E307 PolarHBondContact O-N 3.43Å |
| 304 | E | 73.4 | Confident | 69.1 | Low | 87 Ų | 87 | 72.4 Ų | 72.4 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -29.7 | 176.1 | -62.8 | 176.7 | -177.8 | 0 | 0 | 112.6 | Q300 A308 | Q300-E304 PolarHBondContact NE2-OE1 3.38Å; E304-A308 VanDerWaalsContact O-CB 3.25Å; E304-A308 WeakPolarHBondContact O-CB 3.32Å; E304-A308 PolarHBondContact O-N 3.24Å |
| 305 | F | 71.1 | Confident | 69.3 | Low | 12 Ų | 12 | 74.7 Ų | 74.7 | 5% | 0.053 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -77.1 | -39.1 | 172.6 | -176.8 | -99.3 | 0 | 0 | 0 | 112.9 | F262 L283 Y284 K287 G301 L302 Q303 E307 A308 A309 | F262-F305 HydrophobicContact CD2-CD1 4.13Å; F262-F305 HydrophobicContact CD2-CE1 4.46Å; F262-F305 HydrophobicContact CE1-CE1 4.18Å; F262-F305 AromaticContact CE2-CD1 3.47Å; F262-F305 HydrophobicContact CE2-CD1 3.47Å; F262-F305 VanDerWaalsContact CE2-CD1 3.47Å; F262-F305 AromaticContact CE2-CE1 3.59Å; F262-F305 HydrophobicContact CE2-CE1 3.59Å; F262-F305 AromaticContact CZ-CD1 3.85Å; F262-F305 HydrophobicContact CZ-CD1 3.85Å; F262-F305 AromaticContact CZ-CE1 3.43Å; F262-F305 HydrophobicContact CZ-CE1 3.43Å; F262-F305 VanDerWaalsContact CZ-CE1 3.43Å; L283-F305 HydrophobicContact CB-CZ 4.09Å; Y284-F305 VanDerWaalsContact CA-CZ 3.46Å; Y284-F305 VanDerWaalsContact CB-CE1 3.5Å; Y284-F305 HydrophobicContact CD2-CB 4.48Å; Y284-F305 AromaticContact CD2-CD1 3.35Å; Y284-F305 HydrophobicContact CD2-CD1 3.35Å; Y284-F305 HydrophobicContact CD2-CD2 4.39Å; Y284-F305 AromaticContact CD2-CE1 3.55Å; Y284-F305 HydrophobicContact CD2-CE1 3.55Å; Y284-F305 AromaticContact CD2-CG 3.79Å; Y284-F305 HydrophobicContact CD2-CG 3.79Å; Y284-F305 HydrophobicContact CD2-CZ 4.13Å; Y284-F305 HydrophobicContact CE2-CD1 4.12Å; Y284-F305 HydrophobicContact CE2-CG 4.35Å; Y284-F305 HydrophobicContact CG-CD1 4.16Å; Y284-F305 AromaticContact CG-CE1 3.93Å; Y284-F305 HydrophobicContact CG-CE1 3.93Å; Y284-F305 HydrophobicContact CG-CZ 4.45Å; K287-F305 HydrophobicContact CB-CD2 4.41Å; K287-F305 HydrophobicContact CB-CE2 4.28Å; K287-F305 HydrophobicContact CD-CB 4.4Å; K287-F305 HydrophobicContact CD-CD2 3.36Å; K287-F305 HydrophobicContact CD-CE2 3.99Å; K287-F305 HydrophobicContact CD-CG 4.22Å; K287-F305 HydrophobicContact CG-CD2 4.49Å; G301-F305 WeakPolarHBondContact O-CB 3.46Å; G301-F305 PolarHBondContact O-N 2.94Å; L302-F305 PolarHBondContact O-N 2.97Å; Q303-F305 PolarHBondContact O-N 3.1Å; F305-E307 VanDerWaalsContact C-N 3.3Å; F305-E307 PolarHBondContact O-N 3.39Å; F305-A308 PolarHBondContact O-N 3.34Å; F305-A309 HydrophobicContact CD1-CB 4.4Å; F305-A309 HydrophobicContact CE1-CB 4.05Å; F305-A309 HydrophobicContact CZ-CB 4.23Å; F305-A309 WeakPolarHBondContact O-CB 3.4Å; F305-A309 PolarHBondContact O-N 3.45Å |
| 306 | V | 72.9 | Confident | 69.7 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 20% | 0.2 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 109.7 | F262 L302 Q303 A309 M310 | F262-V306 HydrophobicContact CD2-CG2 4.01Å; F262-V306 HydrophobicContact CE2-CG2 3.83Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.27Å; Q303-V306 PolarHBondContact O-N 3.39Å; V306-A309 PolarHBondContact O-N 3.15Å; V306-M310 HydrophobicContact CG1-CG 4.35Å; V306-M310 VanDerWaalsContact O-CB 3.32Å; V306-M310 WeakPolarHBondContact O-CB 3.5Å; V306-M310 WeakPolarHBondContact O-CG 3.49Å; V306-M310 PolarHBondContact O-N 3.22Å |
| 307 | E | 76.5 | Confident | 70 | Confident | 102 Ų | 102 | 82.1 Ų | 82.1 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -53.4 | 175.6 | -70.5 | 168.8 | -172.2 | 0 | 0 | 111.5 | Q303 F305 A309 M310 D311 | Q303-E307 HydrophobicContact CG-CG 4.5Å; Q303-E307 VanDerWaalsContact CG-OE1 3.29Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.39Å; Q303-E307 PolarHBondContact NE2-OE1 3.08Å; Q303-E307 WeakPolarHBondContact O-CG 3.45Å; Q303-E307 PolarHBondContact O-N 3.43Å; F305-E307 VanDerWaalsContact C-N 3.3Å; F305-E307 PolarHBondContact O-N 3.39Å; E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 3.31Å; E307-M310 PolarHBondContact O-N 3.44Å; E307-D311 PolarHBondContact O-N 2.85Å |
| 308 | A | 75.8 | Confident | 70.1 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E304 F305 L312 | E304-A308 VanDerWaalsContact O-CB 3.25Å; E304-A308 WeakPolarHBondContact O-CB 3.32Å; E304-A308 PolarHBondContact O-N 3.24Å; F305-A308 PolarHBondContact O-N 3.34Å; A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.4Å; A308-L312 VanDerWaalsContact O-N 3.09Å |
| 309 | A | 73.1 | Confident | 70.2 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.008 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L280 F305 V306 E307 L312 L313 | L280-A309 HydrophobicContact CD2-CB 3.94Å; F305-A309 HydrophobicContact CD1-CB 4.4Å; F305-A309 HydrophobicContact CE1-CB 4.05Å; F305-A309 HydrophobicContact CZ-CB 4.23Å; F305-A309 WeakPolarHBondContact O-CB 3.4Å; F305-A309 PolarHBondContact O-N 3.45Å; V306-A309 PolarHBondContact O-N 3.15Å; E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 3.31Å; A309-L312 WeakPolarHBondContact O-CB 3.17Å; A309-L312 PolarHBondContact O-N 3.46Å; A309-L313 VanDerWaalsContact O-CG 3.29Å; A309-L313 WeakPolarHBondContact O-CG 3.31Å; A309-L313 PolarHBondContact O-N 3.29Å |
| 310 | M | 73.5 | Confident | 70.6 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.8 | -74.5 | -63.9 | -64.5 | 0 | 0 | 111.2 | F270 V306 E307 L312 L313 L314 V320 | F270-M310 HydrophobicContact CD1-CE 4.03Å; F270-M310 HydrophobicContact CD1-SD 4.27Å; F270-M310 HydrophobicContact CD2-SD 4.2Å; F270-M310 HydrophobicContact CE1-CE 3.42Å; F270-M310 VanDerWaalsContact CE1-CE 3.42Å; F270-M310 HydrophobicContact CE1-SD 3.88Å; F270-M310 HydrophobicContact CE2-CE 4.4Å; F270-M310 HydrophobicContact CE2-CG 4.4Å; F270-M310 HydrophobicContact CE2-SD 3.81Å; F270-M310 HydrophobicContact CG-SD 4.42Å; F270-M310 HydrophobicContact CZ-CE 3.64Å; F270-M310 HydrophobicContact CZ-CG 4.2Å; F270-M310 HydrophobicContact CZ-SD 3.64Å; V306-M310 HydrophobicContact CG1-CG 4.35Å; V306-M310 VanDerWaalsContact O-CB 3.32Å; V306-M310 WeakPolarHBondContact O-CB 3.5Å; V306-M310 WeakPolarHBondContact O-CG 3.49Å; V306-M310 PolarHBondContact O-N 3.22Å; E307-M310 PolarHBondContact O-N 3.44Å; M310-L312 VanDerWaalsContact C-N 3.3Å; M310-L312 PolarHBondContact O-N 3.16Å; M310-L313 PolarHBondContact O-N 2.9Å; M310-L313 HydrophobicContact SD-CD1 4.04Å; M310-L314 WeakPolarHBondContact O-CB 3.47Å; M310-L314 VanDerWaalsContact O-CG 3.22Å; M310-L314 WeakPolarHBondContact O-CG 3.37Å; M310-L314 PolarHBondContact O-N 3.43Å; M310-V320 HydrophobicContact CE-CB 4.37Å; M310-V320 HydrophobicContact CE-CG1 3.96Å; M310-V320 HydrophobicContact SD-CG1 4.28Å |
| 311 | D | 79 | Confident | 70.7 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.9 | -41.5 | 172.8 | -81.8 | -11.7 | 0 | 0 | 0 | 112.1 | E307 K315 | E307-D311 PolarHBondContact O-N 2.85Å; D311-K315 WeakPolarHBondContact O-CB 3.26Å; D311-K315 PolarHBondContact O-N 3.23Å |
| 312 | L | 72.7 | Confident | 70.8 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 45% | 0.45 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 174 | -80.2 | 164.6 | 0 | 0 | 0 | 112.2 | A308 A309 M310 L314 K315 E316 | A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.4Å; A308-L312 VanDerWaalsContact O-N 3.09Å; A309-L312 WeakPolarHBondContact O-CB 3.17Å; A309-L312 PolarHBondContact O-N 3.46Å; M310-L312 VanDerWaalsContact C-N 3.3Å; M310-L312 PolarHBondContact O-N 3.16Å; L312-L314 PolarHBondContact O-N 3.03Å; L312-K315 PolarHBondContact O-N 2.83Å; L312-E316 WeakPolarHBondContact O-CG 3.5Å; L312-E316 PolarHBondContact O-N 2.91Å |
| 313 | L | 71.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.6 | -68 | 170 | 0 | 0 | 0 | 111.6 | I272 L280 A309 M310 K317 L318 V320 | I272-L313 HydrophobicContact CD1-CD1 3.95Å; L280-L313 HydrophobicContact CD1-CD1 4.11Å; L280-L313 HydrophobicContact CD2-CD1 4.14Å; L280-L313 HydrophobicContact CD2-CD2 4.27Å; L280-L313 HydrophobicContact CD2-CG 4.26Å; A309-L313 VanDerWaalsContact O-CG 3.29Å; A309-L313 WeakPolarHBondContact O-CG 3.31Å; A309-L313 PolarHBondContact O-N 3.29Å; M310-L313 PolarHBondContact O-N 2.9Å; M310-L313 HydrophobicContact SD-CD1 4.04Å; L313-K317 PolarHBondContact O-N 3.15Å; L313-L318 HydrophobicContact CD2-CB 4.39Å; L313-L318 HydrophobicContact CD2-CD1 3.65Å; L313-L318 WeakPolarHBondContact O-CB 3.4Å; L313-L318 PolarHBondContact O-N 3.47Å; L313-V320 HydrophobicContact CB-CG2 3.78Å; L313-V320 HydrophobicContact CD1-CG2 3.81Å; L313-V320 HydrophobicContact CG-CG2 4.33Å |
| 314 | L | 77 | Confident | 69.9 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 55% | 0.55 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 177.7 | -70.5 | 170.4 | 0 | 0 | 0 | 111.8 | M310 L312 K317 | M310-L314 WeakPolarHBondContact O-CB 3.47Å; M310-L314 VanDerWaalsContact O-CG 3.22Å; M310-L314 WeakPolarHBondContact O-CG 3.37Å; M310-L314 PolarHBondContact O-N 3.43Å; L312-L314 PolarHBondContact O-N 3.03Å; L314-K317 WeakPolarHBondContact O-CA 3.34Å; L314-K317 PolarHBondContact O-N 3Å |
| 315 | K | 79 | Confident | 69.7 | Low | 162 Ų | 162 | 87.5 Ų | 87.5 | 70% | 0.704 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 178.3 | -177 | 176.4 | 179.6 | -179 | 0 | 112.5 | D311 L312 K317 | D311-K315 WeakPolarHBondContact O-CB 3.26Å; D311-K315 PolarHBondContact O-N 3.23Å; L312-K315 PolarHBondContact O-N 2.83Å; K315-K317 PolarHBondContact O-N 2.75Å |
| 316 | E | 75 | Confident | 69.6 | Low | 126 Ų | 126 | 91.5 Ų | 91.5 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 8.8 | 174.3 | -62.6 | -54.7 | 137 | 0 | 0 | 113.2 | L312 L318 | L312-E316 WeakPolarHBondContact O-CG 3.5Å; L312-E316 PolarHBondContact O-N 2.91Å; E316-L318 HydrophobicContact CB-CD1 4.16Å; E316-L318 HydrophobicContact CB-CG 3.97Å; E316-L318 PolarHBondContact O-N 3.43Å; E316-L318 VanDerWaalsContact O-N 3.15Å |
| 317 | K | 72.4 | Confident | 69.4 | Low | 189 Ų | 189 | 94.7 Ų | 94.7 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.2 | -179 | -56.9 | -178 | -179.2 | 178.4 | 0 | 113.8 | L313 L314 K315 A319 | L313-K317 PolarHBondContact O-N 3.15Å; L314-K317 WeakPolarHBondContact O-CA 3.34Å; L314-K317 PolarHBondContact O-N 3Å; K315-K317 PolarHBondContact O-N 2.75Å; K317-A319 PolarHBondContact O-N 3.26Å |
| 318 | L | 63.7 | Low | 69 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | trans | -73.9 | 121 | 175.9 | -59.4 | 177.8 | 0 | 0 | 0 | 107.8 | Y276 L313 E316 V320 | Y276-L318 HydrophobicContact CD1-CD1 3.65Å; Y276-L318 HydrophobicContact CD1-CD2 4.4Å; Y276-L318 HydrophobicContact CE1-CD1 3.58Å; Y276-L318 HydrophobicContact CE1-CD2 3.53Å; Y276-L318 HydrophobicContact CE1-CG 4.17Å; Y276-L318 HydrophobicContact CG-CD1 4.46Å; Y276-L318 WeakPolarHBondContact OH-CD2 3.37Å; L313-L318 HydrophobicContact CD2-CB 4.39Å; L313-L318 HydrophobicContact CD2-CD1 3.65Å; L313-L318 WeakPolarHBondContact O-CB 3.4Å; L313-L318 PolarHBondContact O-N 3.47Å; E316-L318 HydrophobicContact CB-CD1 4.16Å; E316-L318 HydrophobicContact CB-CG 3.97Å; E316-L318 PolarHBondContact O-N 3.43Å; E316-L318 VanDerWaalsContact O-N 3.15Å; L318-V320 VanDerWaalsContact C-N 3.32Å; L318-V320 PolarHBondContact O-N 3.44Å | ||
| 319 | A | 57 | Low | 68.6 | Low | 91 Ų | 91 | 97.5 Ų | 97.5 | 75% | 0.752 | 49% | 0.488 | S | S | * | . | trans | -70.3 | 87.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K317 V321 | K317-A319 PolarHBondContact O-N 3.26Å; A319-V321 PolarHBondContact O-N 3.36Å | ||
| 320 | V | 62.4 | Low | 68.3 | Low | 29 Ų | 29 | 103.9 Ų | 103.9 | 18% | 0.176 | 52% | 0.519 | C | S | . | . | trans | -81.7 | 109.5 | 172.2 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | F270 I272 M310 L313 L318 V322 | F270-V320 HydrophobicContact CB-CG1 3.87Å; F270-V320 HydrophobicContact CD1-CG1 3.5Å; F270-V320 VanDerWaalsContact CD1-CG1 3.5Å; F270-V320 HydrophobicContact CE1-CG1 4.3Å; F270-V320 HydrophobicContact CG-CG1 3.88Å; I272-V320 HydrophobicContact CG1-CG1 4.38Å; M310-V320 HydrophobicContact CE-CB 4.37Å; M310-V320 HydrophobicContact CE-CG1 3.96Å; M310-V320 HydrophobicContact SD-CG1 4.28Å; L313-V320 HydrophobicContact CB-CG2 3.78Å; L313-V320 HydrophobicContact CD1-CG2 3.81Å; L313-V320 HydrophobicContact CG-CG2 4.33Å; L318-V320 VanDerWaalsContact C-N 3.32Å; L318-V320 PolarHBondContact O-N 3.44Å; V320-V322 PolarHBondContact O-N 3.38Å | ||
| 321 | V | 60.9 | Low | 67.9 | Low | 84 Ų | 84 | 109.4 Ų | 109.4 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | trans | -81.7 | 111.8 | 168.6 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | E271 A319 | E271-V321 HydrophobicContact CB-CB 4.33Å; E271-V321 PolarHBondContact N-O 3.44Å; A319-V321 PolarHBondContact O-N 3.36Å | ||
| 322 | V | 63.7 | Low | 67.1 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 124.7 | 172.3 | -168.2 | 0 | 0 | 0 | 0 | 108.2 | F270 V320 | F270-V322 HydrophobicContact CD1-CB 4.31Å; F270-V322 HydrophobicContact CD1-CG1 4.23Å; F270-V322 HydrophobicContact CD1-CG2 4.08Å; F270-V322 HydrophobicContact CE1-CB 4.31Å; F270-V322 HydrophobicContact CE1-CG1 3.92Å; F270-V322 HydrophobicContact CE1-CG2 3.88Å; V320-V322 PolarHBondContact O-N 3.38Å |
| 323 | R | 62.1 | Low | 66.6 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | trans | -72.1 | 133 | 169.5 | -73 | -174.8 | 172.1 | 147.5 | 0.1 | 108.7 | G267 S269 E271 | G267-R323 PolarHBondContact O-NH1 3.18Å; S269-R323 PolarHBondContact O-N 3.09Å; E271-R323 HydrophobicContact CG-CG 3.85Å; E271-R323 IonicContact OE1-CZ 3.21Å; E271-R323 IonicContact OE1-NE 2.85Å; E271-R323 PolarHBondContact OE1-NE 3.31Å; E271-R323 IonicContact OE1-NH2 2.72Å; E271-R323 PolarHBondContact OE1-NH2 3.4Å | ||
| 324 | K | 54.7 | Low | 66.2 | Low | 276 Ų | 276 | 120.4 Ų | 120.4 | 100% | 1.2 | 60% | 0.596 | S | S | * | * | trans | -86 | 0 | 174.6 | -79.3 | -171.2 | 173.6 | -176 | 0 | 111.3 |
Retrieved 324 of 324 residues in 150 ms
(Link to these results)