| 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 | 50.2 | Low | 48 | Very low | 248 Ų | 248 | 157 Ų | 157 | 100% | 1.222 | 86% | 0.861 | S | S | * | * | 0 | 105.8 | 0 | -81.3 | 173 | 175 | 0 | 0 | 107.1 | |||||
| 2 | V | 41.7 | Very low | 47.8 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 84% | 0.836 | 85% | 0.852 | S | S | * | * | trans | -79.6 | 140.6 | 171.7 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | L | 51.4 | Low | 47.4 | Very low | 163 Ų | 163 | 162.2 Ų | 162.2 | 85% | 0.853 | 86% | 0.857 | S | S | * | * | trans | -171.8 | 99.9 | 148.8 | -97.1 | 166.4 | 0 | 0 | 0 | 108.6 | ||||
| 4 | E | 37.6 | Very low | 47 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 87% | 0.869 | 85% | 0.849 | S | S | * | * | trans | -75.4 | 139.1 | 152 | -79.7 | -176.5 | 116.4 | 0 | 0 | 108.9 | ||||
| 5 | T | 57.5 | Low | 46.9 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 73% | 0.73 | 85% | 0.848 | S | S | * | * | trans | -157.2 | 107.6 | 153.9 | 38.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 6 | S | 52.4 | Low | 46.5 | Very low | 116 Ų | 116 | 157.4 Ų | 157.4 | 81% | 0.811 | 84% | 0.839 | S | S | * | * | 89.3 | 127.6 | 89.2 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 7 | E | 39.8 | Very low | 46.1 | Very low | 204 Ų | 204 | 157.5 Ų | 157.5 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | trans | -63.1 | 156.8 | -173.9 | -63.6 | 165.4 | 121.1 | 0 | 0 | 114.8 | ||||
| 8 | G | 55.1 | Low | 46.1 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -147.7 | 96.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 9 | D | 48 | Very low | 45.7 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 50.5 | 122.4 | 143 | -69 | -47.7 | 0 | 0 | 0 | 124.8 | ||||
| 10 | T | 46.6 | Very low | 45.5 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | trans | -37.2 | 135.8 | 159.9 | 61.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 11 | K | 47.9 | Very low | 45.1 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 90% | 0.9 | 83% | 0.834 | S | S | * | * | trans | -141.7 | 122.2 | 140.5 | -80.6 | -167.4 | 179.4 | 169.5 | 0 | 111 | ||||
| 12 | K | 45.1 | Very low | 44.6 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -80 | 133.3 | 180 | -54.7 | 178.5 | -178.7 | -173.8 | 0 | 109.7 | ||||
| 13 | F | 42.7 | Very low | 44.4 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -133.2 | 97.4 | 151.5 | -93.5 | -82.5 | 0 | 0 | 0 | 107.5 | ||||
| 14 | L | 42.1 | Very low | 43.9 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 137.3 | 159.1 | -81.8 | 80 | 0 | 0 | 0 | 107.3 | ||||
| 15 | T | 45.2 | Very low | 44.2 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 155.8 | 142.3 | 137.5 | 40.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | N | 41 | Very low | 43.2 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | cis | -168.7 | 126.5 | -20.3 | -164.2 | 22.5 | 0 | 0 | 0 | 102.3 | ||||
| 17 | N | 39 | Very low | 42.8 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -105.3 | 108 | -179.3 | -155.1 | 18.5 | 0 | 0 | 0 | 107.1 | ||||
| 18 | N | 46.7 | Very low | 42.8 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -126.1 | 104.4 | 174.9 | -84.8 | -16.4 | 0 | 0 | 0 | 110.1 | ||||
| 19 | N | 38.7 | Very low | 42.4 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -59.4 | 131 | 150.5 | -84.4 | -23.3 | 0 | 0 | 0 | 108.8 | ||||
| 20 | S | 40.6 | Very low | 42.1 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -156.4 | 112.4 | 152.6 | -82 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 21 | S | 36.8 | Very low | 41.8 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -53 | 131 | 159.3 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 22 | A | 40.3 | Very low | 41.5 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -162.6 | 104.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 23 | S | 38 | Very low | 41.4 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 58.6 | 107 | 90 | -151 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 24 | R | 40.7 | Very low | 41.4 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | 32.2 | 121.2 | 145.9 | -66.3 | 175.4 | 171.5 | 170.5 | -2.9 | 118.5 | ||||
| 25 | N | 43.1 | Very low | 41.4 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | -157 | 132.2 | 128.2 | -115.3 | -8.4 | 0 | 0 | 0 | 112.7 | |||||
| 26 | N | 38.3 | Very low | 41.4 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -69.2 | 143.3 | 168.2 | -68.1 | -35.2 | 0 | 0 | 0 | 109.5 | ||||
| 27 | N | 42.9 | Very low | 41.5 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -152 | 123.2 | 144.8 | -135.8 | 1.8 | 0 | 0 | 0 | 111.6 | ||||
| 28 | S | 39.2 | Very low | 42 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -103.7 | 123.6 | 171.8 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 29 | H | 47.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -156.1 | 100.3 | 164.5 | -82.7 | 82.7 | 0 | 0 | 0 | 105 | ||||
| 30 | N | 41 | Very low | 42.4 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | 68.3 | 110.3 | 69.5 | -147.4 | 19.2 | 0 | 0 | 0 | 114.7 | |||||
| 31 | N | 41.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | 68.5 | 124.1 | 143.3 | -80.8 | -8.5 | 0 | 0 | 0 | 124.4 | ||||
| 32 | N | 41.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | 65.6 | 124.1 | 125.7 | -63.1 | -12.1 | 0 | 0 | 0 | 120.7 | |||||
| 33 | N | 43.5 | Very low | 43.3 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | 167.5 | 132.8 | 100.9 | -92.5 | -32.6 | 0 | 0 | 0 | 114.9 | |||||
| 34 | N | 42.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 153 Ų | 153 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | 68.5 | 112 | 128.5 | -63 | -21.4 | 0 | 0 | 0 | 124.2 | |||||
| 35 | N | 41.8 | Very low | 43.5 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 45.3 | 124.9 | 110.2 | -69.3 | -17.4 | 0 | 0 | 0 | 122.7 | |||||
| 36 | H | 44.3 | Very low | 43.5 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | 148.5 | 145 | 135 | -95.1 | 60.2 | 0 | 0 | 0 | 109.4 | ||||
| 37 | S | 44 | Very low | 43.4 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | cis | -176.1 | 162 | -10.5 | -100.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 38 | P | 50 | Low | 43.3 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -99.2 | 155 | -179 | 37 | -30 | 0 | 0 | 0 | 113.8 | ||||
| 39 | K | 51.5 | Low | 43.3 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -151.2 | 125.3 | 166.8 | -87.3 | -166.7 | 177.9 | -177.6 | 0 | 115.1 | ||||
| 40 | E | 41.6 | Very low | 42.9 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -2.4 | 160 | 151.4 | -50.7 | -152 | 151.9 | 0 | 0 | 125.5 | ||||
| 41 | I | 42.4 | Very low | 42.9 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 161.3 | -179.1 | -56.2 | 156.2 | 0 | 0 | 0 | 112.1 | ||||
| 42 | P | 54.3 | Low | 43 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -145.4 | 148.1 | 118.5 | 31.5 | -13.2 | 0 | 0 | 0 | 115.5 | |||||
| 43 | E | 39.3 | Very low | 43.1 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -81.5 | 144.3 | 161.2 | -66 | -158.2 | 153.6 | 0 | 0 | 111.1 | ||||
| 44 | E | 43.7 | Very low | 43.2 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -166 | 157.7 | 137.4 | -124 | -163.3 | 160.7 | 0 | 0 | 113.6 | ||||
| 45 | T | 39.8 | Very low | 43.2 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 158.9 | -161.8 | 55.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 46 | G | 42.1 | Very low | 43.5 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 176.7 | 108.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 47 | R | 37.6 | Very low | 44.1 | Very low | 238 Ų | 238 | 137 Ų | 137 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -53.4 | 159.6 | -178.3 | -68.2 | 162.7 | 158.9 | -162.8 | -5.4 | 119.7 | ||||
| 48 | S | 40.1 | Very low | 43.9 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 92.4 | 116.5 | 129 | 46.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 49 | S | 39.3 | Very low | 43.8 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 79.8 | 119.1 | 124.3 | 64 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 50 | S | 39.5 | Very low | 43.4 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 102.9 | 130.9 | 118.5 | 71.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 51 | T | 40.4 | Very low | 43.3 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 143.7 | 148.3 | 6.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 52 | S | 43.9 | Very low | 43.3 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | -173.8 | 133.3 | 28.5 | -140.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | S | 43.9 | Very low | 42.7 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | 91.2 | 146.1 | 103.4 | 54.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 54 | N | 44.8 | Very low | 42.8 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 95.2 | 133.9 | 169.1 | -56.7 | -20.8 | 0 | 0 | 0 | 117.8 | ||||
| 55 | S | 42.2 | Very low | 42.6 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -167.3 | 152.3 | -9.6 | -91.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 56 | I | 49 | Very low | 42.6 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -99.4 | -163.6 | -176.6 | -16.4 | 179.6 | 0 | 0 | 0 | 110 | ||||
| 57 | P | 56.3 | Low | 42.6 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -146.6 | 175.9 | -24.5 | 34.5 | -12.2 | 0 | 0 | 0 | 118.5 | ||||
| 58 | N | 40.9 | Very low | 42.7 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 56 | 136.3 | 136.4 | -84.4 | -9.6 | 0 | 0 | 0 | 126.1 | ||||
| 59 | A | 46.5 | Very low | 42.8 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | 166.8 | 114 | 109.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 60 | H | 43.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | 76.4 | 120.3 | 86.1 | -103.4 | -66 | 0 | 0 | 0 | 119.1 | |||||
| 61 | R | 39.2 | Very low | 42.7 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 86.2 | 111.3 | 136.1 | -98.8 | 171.6 | 179.8 | -115.8 | 2.1 | 123.4 | ||||
| 62 | T | 42.5 | Very low | 42.8 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | 47.1 | 129.1 | 122.3 | 62.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 63 | N | 41.8 | Very low | 43.1 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | 171.8 | 160.7 | 106.8 | -153.6 | -11.1 | 0 | 0 | 0 | 112 | |||||
| 64 | A | 40.9 | Very low | 43 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 174.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 65 | G | 39.9 | Very low | 42.7 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 133.4 | 95 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 66 | Q | 41.2 | Very low | 42.3 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | 28.6 | 123.4 | 135.5 | -53 | -178.3 | 11.3 | 0 | 0 | 122.3 | ||||
| 67 | H | 41.9 | Very low | 41.5 | Very low | 167 Ų | 167 | 127 Ų | 127 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | 175.8 | 110.6 | 127.7 | -121.8 | -121.7 | 0 | 0 | 0 | 108.7 | |||||
| 68 | L | 39.7 | Very low | 40.4 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | 68.5 | 114.8 | 97 | -78.3 | -177.6 | 0 | 0 | 0 | 117.1 | |||||
| 69 | L | 41.5 | Very low | 40.1 | Very low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 82.5 | 116.9 | 144.1 | -53.7 | 173.2 | 0 | 0 | 0 | 121.2 | ||||
| 70 | G | 37.5 | Very low | 39.7 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | 105.7 | 124.2 | 125.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 71 | G | 39.7 | Very low | 39.3 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 117.2 | 108.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 72 | S | 43 | Very low | 39.4 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -66.5 | 166.2 | 175.1 | -67 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 73 | P | 48.9 | Very low | 39 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -117.5 | 169.8 | -157.9 | 41.3 | -29 | 0 | 0 | 0 | 115.1 | ||||
| 74 | S | 41.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 160.7 | 145 | 151 | 39.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 75 | S | 38.2 | Very low | 38.4 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | -176.3 | 130.1 | -2.4 | 43.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 76 | A | 34.4 | Very low | 38.7 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -163.7 | 149 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 77 | C | 31.5 | Very low | 38.6 | Very low | 126 Ų | 126 | 118 Ų | 118 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 70.5 | 147.5 | 173.7 | 90.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 78 | S | 35 | Very low | 38.6 | Very low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | cis | -171 | 146.8 | -17.9 | -86.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 79 | T | 33.6 | Very low | 39 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | 47.2 | 121.9 | 153 | 40.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 80 | S | 37.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | 150.7 | 115 | 119.7 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 81 | V | 35.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 115 Ų | 115 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 27.2 | 116.2 | 146.5 | -74.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 82 | S | 41.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 117 Ų | 117 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -168.8 | 139.4 | 141 | -85.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | G | 33.9 | Very low | 40.2 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 151.8 | -156.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 84 | C | 35.2 | Very low | 41 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | -109.4 | 112.8 | 171.4 | 44.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 85 | G | 36.1 | Very low | 42 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -82 | 127.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 86 | M | 45 | Very low | 42.9 | Very low | 164 Ų | 164 | 105.1 Ų | 105.1 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 135.7 | 179 | -51.8 | -72.7 | 155.6 | 0 | 0 | 110.7 | ||
| 87 | P | 40.7 | Very low | 44.5 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 143.8 | 163.8 | 33.1 | -27.4 | 0 | 0 | 0 | 112.3 | ||
| 88 | S | 41.3 | Very low | 46.4 | Very low | 103 Ų | 103 | 106.5 Ų | 106.5 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.2 | -174.1 | 48.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 89 | E | 48.3 | Very low | 47.8 | Very low | 195 Ų | 195 | 107 Ų | 107 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | -158.1 | 128.1 | 128.2 | -80.7 | -64.3 | 131.5 | 0 | 0 | 107.1 | |||||
| 90 | G | 38.9 | Very low | 49.4 | Very low | 74 Ų | 74 | 106.7 Ų | 106.7 | 76% | 0.763 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 109.9 | 17.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||
| 91 | L | 46.7 | Very low | 50.8 | Low | 107 Ų | 107 | 103.6 Ų | 103.6 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -168.4 | 138.4 | 152.7 | -145.1 | 71.2 | 0 | 0 | 0 | 108.5 | A95 A96 L99 | L91-A95 HydrophobicContact CD2-CB 4.36Å; L91-A95 HydrophobicContact CG-CB 4.32Å; L91-A96 HydrophobicContact CD2-CB 4.29Å; L91-L99 HydrophobicContact CD2-CD1 3.67Å |
| 92 | H | 48.3 | Very low | 52.2 | Low | 125 Ų | 125 | 99.5 Ų | 99.5 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | trans | -57.1 | 131.4 | 177.8 | -170.8 | -104.5 | 0 | 0 | 0 | 109.2 | T94 A95 A96 | H92-T94 PolarHBondContact CE1-OG1 3.38Å; H92-T94 WeakPolarHBondContact ND1-CB 3.27Å; H92-T94 PolarHBondContact ND1-OG1 3.39Å; H92-T94 PolarHBondContact O-N 3.19Å; H92-A95 HydrophobicContact CB-CB 4.23Å; H92-A95 WeakPolarHBondContact O-CA 3.04Å; H92-A95 WeakPolarHBondContact O-CB 3.46Å; H92-A95 PolarHBondContact O-N 3.5Å; H92-A96 PolarHBondContact O-N 3.37Å | ||
| 93 | P | 52.7 | Low | 53 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 60% | 0.597 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.3 | -29.7 | -173.1 | 21.1 | -33.1 | 0 | 0 | 0 | 112.6 | L97 | P93-L97 WeakPolarHBondContact O-CB 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.32Å; P93-L97 PolarHBondContact O-N 3.09Å |
| 94 | T | 65.4 | Low | 54.3 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.7 | -36.5 | 173 | -42.4 | 0 | 0 | 0 | 0 | 113.1 | H92 Q98 | H92-T94 PolarHBondContact CE1-OG1 3.38Å; H92-T94 WeakPolarHBondContact ND1-CB 3.27Å; H92-T94 PolarHBondContact ND1-OG1 3.39Å; H92-T94 PolarHBondContact O-N 3.19Å; T94-Q98 WeakPolarHBondContact O-CB 3.16Å; T94-Q98 VanDerWaalsContact O-CG 3.25Å; T94-Q98 WeakPolarHBondContact O-CG 3.29Å; T94-Q98 PolarHBondContact O-N 3.39Å |
| 95 | A | 63.1 | Low | 55.4 | Low | 34 Ų | 34 | 97.5 Ų | 97.5 | 28% | 0.281 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.5 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L91 H92 Q98 L99 | L91-A95 HydrophobicContact CD2-CB 4.36Å; L91-A95 HydrophobicContact CG-CB 4.32Å; H92-A95 HydrophobicContact CB-CB 4.23Å; H92-A95 WeakPolarHBondContact O-CA 3.04Å; H92-A95 WeakPolarHBondContact O-CB 3.46Å; H92-A95 PolarHBondContact O-N 3.5Å; A95-Q98 PolarHBondContact O-N 3.37Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.44Å |
| 96 | A | 56.3 | Low | 56.5 | Low | 24 Ų | 24 | 97.5 Ų | 97.5 | 20% | 0.198 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -63.8 | -42.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | L91 H92 L99 Y100 | L91-A96 HydrophobicContact CD2-CB 4.29Å; H92-A96 PolarHBondContact O-N 3.37Å; A96-L99 PolarHBondContact O-N 3.29Å; A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.36Å |
| 97 | L | 68.7 | Low | 56.7 | Low | 125 Ų | 125 | 92.3 Ų | 92.3 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 173.3 | -108.7 | 80.3 | 0 | 0 | 0 | 112.5 | P93 Y100 A101 | P93-L97 WeakPolarHBondContact O-CB 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.32Å; P93-L97 PolarHBondContact O-N 3.09Å; L97-Y100 PolarHBondContact O-N 2.9Å; L97-A101 WeakPolarHBondContact O-CB 3.24Å; L97-A101 PolarHBondContact O-N 3.09Å |
| 98 | Q | 70.3 | Confident | 57.2 | Low | 124 Ų | 124 | 91 Ų | 91 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 177 | -78.7 | 171 | -0.9 | 0 | 0 | 111.7 | T94 A95 A102 | T94-Q98 WeakPolarHBondContact O-CB 3.16Å; T94-Q98 VanDerWaalsContact O-CG 3.25Å; T94-Q98 WeakPolarHBondContact O-CG 3.29Å; T94-Q98 PolarHBondContact O-N 3.39Å; A95-Q98 PolarHBondContact O-N 3.37Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.29Å |
| 99 | L | 65.7 | Low | 57.7 | Low | 109 Ų | 109 | 93.4 Ų | 93.4 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 173.8 | -75.7 | 169.8 | 0 | 0 | 0 | 111.9 | L91 A95 A96 A102 A103 | L91-L99 HydrophobicContact CD2-CD1 3.67Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.44Å; A96-L99 PolarHBondContact O-N 3.29Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.19Å |
| 100 | Y | 67.2 | Low | 57.9 | Low | 125 Ų | 125 | 88.4 Ų | 88.4 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 176.2 | -174.8 | -97.2 | 0 | 0 | 0 | 112 | A96 L97 A103 A104 | A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.36Å; L97-Y100 PolarHBondContact O-N 2.9Å; Y100-A103 PolarHBondContact O-N 3.36Å; Y100-A104 VanDerWaalsContact O-CB 3.29Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 3.03Å |
| 101 | A | 66.7 | Low | 58.4 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 35% | 0.347 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L97 Q105 | L97-A101 WeakPolarHBondContact O-CB 3.24Å; L97-A101 PolarHBondContact O-N 3.09Å; A101-Q105 VanDerWaalsContact O-CG 3.27Å; A101-Q105 WeakPolarHBondContact O-CG 3.42Å; A101-Q105 PolarHBondContact O-N 3.46Å; A101-Q105 VanDerWaalsContact O-N 3.09Å; A101-Q105 PolarHBondContact O-NE2 2.82Å |
| 102 | A | 63.8 | Low | 58.7 | Low | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q98 L99 Q105 L106 | Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.29Å; L99-A102 PolarHBondContact O-N 3.27Å; A102-Q105 PolarHBondContact O-N 3.17Å; A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å |
| 103 | A | 59.2 | Low | 58.8 | Low | 63 Ų | 63 | 94.6 Ų | 94.6 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L99 Y100 L106 | L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.19Å; Y100-A103 PolarHBondContact O-N 3.36Å; A103-L106 PolarHBondContact O-N 3.3Å |
| 104 | A | 60.6 | Low | 58.8 | Low | 54 Ų | 54 | 94.5 Ų | 94.5 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69 | -31.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y100 L106 | Y100-A104 VanDerWaalsContact O-CB 3.29Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 3.03Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.36Å |
| 105 | Q | 58 | Low | 58.6 | Low | 164 Ų | 164 | 96.6 Ų | 96.6 | 77% | 0.766 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.5 | -15.5 | 174.9 | -73.6 | 173.3 | 47.7 | 0 | 0 | 113.5 | A101 A102 | A101-Q105 VanDerWaalsContact O-CG 3.27Å; A101-Q105 WeakPolarHBondContact O-CG 3.42Å; A101-Q105 PolarHBondContact O-N 3.46Å; A101-Q105 VanDerWaalsContact O-N 3.09Å; A101-Q105 PolarHBondContact O-NE2 2.82Å; A102-Q105 PolarHBondContact O-N 3.17Å |
| 106 | L | 59.2 | Low | 57.7 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 40% | 0.403 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | 1.6 | 177.5 | -99.8 | 78.8 | 0 | 0 | 0 | 113.8 | A102 A103 A104 P108 Q188 | A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å; A103-L106 PolarHBondContact O-N 3.3Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.36Å; L106-P108 WeakPolarHBondContact O-CD 3.45Å; L106-Q188 VanDerWaalsContact CD2-OE1 3.28Å |
| 107 | A | 49.8 | Very low | 57.7 | Low | 55 Ų | 55 | 105.8 Ų | 105.8 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | trans | -95.9 | 101.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | N109 | A107-N109 PolarHBondContact O-N 3.37Š| ||
| 108 | P | 50.3 | Low | 56.8 | Low | 98 Ų | 98 | 104 Ų | 104 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -70.1 | 122.9 | 165.7 | 28.1 | -31.7 | 0 | 0 | 0 | 109.6 | L106 | L106-P108 WeakPolarHBondContact O-CD 3.45Š| ||
| 109 | N | 52.6 | Low | 55.6 | Low | 154 Ų | 154 | 105.3 Ų | 105.3 | 82% | 0.824 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 54.2 | 92.9 | 160.5 | -55.7 | -23.5 | 0 | 0 | 0 | 117.1 | A107 V111 | A107-N109 PolarHBondContact O-N 3.37Å; N109-V111 PolarHBondContact O-N 3.09Å |
| 110 | G | 53.2 | Low | 54.6 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 92% | 0.918 | 63% | 0.625 | S | S | * | * | trans | 79.1 | 4.5 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | R112 | G110-R112 PolarHBondContact O-N 2.86Š| ||
| 111 | V | 48.5 | Very low | 53.5 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -86.1 | 108.6 | 176 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | N109 V113 | N109-V111 PolarHBondContact O-N 3.09Å; V111-V113 PolarHBondContact O-N 3.34Å; V111-V113 VanDerWaalsContact O-N 3.17Å | ||
| 112 | R | 52.2 | Low | 52.2 | Low | 231 Ų | 231 | 117.2 Ų | 117.2 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -57.3 | 111.7 | 176.2 | -169.5 | -179.4 | -168.6 | 166.6 | 3.1 | 110.3 | G110 P114 | G110-R112 PolarHBondContact O-N 2.86Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å | ||
| 113 | V | 50.2 | Low | 50.8 | Low | 85 Ų | 85 | 118 Ų | 118 | 52% | 0.515 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 123.2 | 174.9 | -161.9 | 0 | 0 | 0 | 0 | 108.8 | V111 | V111-V113 PolarHBondContact O-N 3.34Å; V111-V113 VanDerWaalsContact O-N 3.17Å |
| 114 | P | 53.2 | Low | 49.9 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 59% | 0.591 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.9 | 176.9 | -21.9 | 32.4 | 0 | 0 | 0 | 111.1 | R112 | R112-P114 WeakPolarHBondContact O-CD 3.43Š|
| 115 | P | 60.6 | Low | 48.8 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 150.3 | 170.2 | 25.2 | -32 | 0 | 0 | 0 | 109.7 | G117 | P115-G117 PolarHBondContact O-N 3.48Š|
| 116 | W | 45.7 | Very low | 47.7 | Very low | 193 Ų | 193 | 119.4 Ų | 119.4 | 73% | 0.731 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -64.4 | 41.2 | -172.7 | -77.9 | 36.4 | 0 | 0 | 0 | 115.3 | ||
| 117 | G | 56.1 | Low | 47 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | trans | -84.1 | -36 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P115 | P115-G117 PolarHBondContact O-N 3.48Š| ||
| 118 | P | 49.7 | Very low | 46.4 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -91.4 | -5.2 | -169.3 | -9.1 | 26.9 | 0 | 0 | 0 | 116.7 | L120 | P118-L120 VanDerWaalsContact C-N 3.31Å; P118-L120 PolarHBondContact O-N 2.86Å |
| 119 | F | 44.5 | Very low | 45.8 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -84 | -0.5 | -173.1 | -122.8 | -86.7 | 0 | 0 | 0 | 114.9 | ||
| 120 | L | 45.2 | Very low | 45.4 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -107 | 9.2 | 179.8 | -70.3 | 171.6 | 0 | 0 | 0 | 113.9 | P118 | P118-L120 VanDerWaalsContact C-N 3.31Å; P118-L120 PolarHBondContact O-N 2.86Å |
| 121 | Q | 44.6 | Very low | 44.8 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -114.2 | 4.1 | -174 | -165.8 | 146.2 | -7.8 | 0 | 0 | 115.7 | G123 | Q121-G123 PolarHBondContact O-N 3.25Š| ||
| 122 | F | 38.2 | Very low | 44.4 | Very low | 192 Ų | 192 | 126.4 Ų | 126.4 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | -99.6 | 65.3 | 169.7 | -75.3 | -77.8 | 0 | 0 | 0 | 111.7 | ||||
| 123 | G | 35 | Very low | 44.1 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -109.2 | 80.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q121 P125 | Q121-G123 PolarHBondContact O-N 3.25Å; G123-P125 WeakPolarHBondContact O-CD 3.47Å | ||
| 124 | V | 40.4 | Very low | 43.3 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | -101 | 100.2 | 170.2 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 125 | P | 36.9 | Very low | 42.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -83.8 | 115.1 | 162.8 | 31.4 | -26.1 | 0 | 0 | 0 | 107.8 | G123 | G123-P125 WeakPolarHBondContact O-CD 3.47Š| ||
| 126 | G | 36 | Very low | 41.6 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | 168.9 | 11.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 127 | V | 43.8 | Very low | 41.1 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -131.9 | 60.1 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 111 | ||
| 128 | F | 36.7 | Very low | 40.5 | Very low | 211 Ų | 211 | 132.8 Ų | 132.8 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -162 | 84.1 | 154.8 | -90.6 | -69.5 | 0 | 0 | 0 | 107.5 | ||||
| 129 | G | 37.5 | Very low | 39.9 | Very low | 56 Ų | 56 | 139.4 Ų | 139.4 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 152.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N131 | G129-N131 PolarHBondContact O-N 3.12Š| ||
| 130 | P | 44.4 | Very low | 39.6 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -62 | 132.3 | 167.4 | 30.2 | -31 | 0 | 0 | 0 | 106.5 | ||
| 131 | N | 41 | Very low | 39.2 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | 99.7 | 39.2 | -178.9 | -43.7 | -41.8 | 0 | 0 | 0 | 117.8 | G129 | G129-N131 PolarHBondContact O-N 3.12Š| ||
| 132 | G | 40.8 | Very low | 38.7 | Very low | 56 Ų | 56 | 137 Ų | 137 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | trans | -121.1 | 148.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 133 | P | 46 | Very low | 38.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 134.5 | -141.2 | 29.3 | -34.9 | 0 | 0 | 0 | 114.2 | L135 | P133-L135 PolarHBondContact O-N 3.45Š| ||
| 134 | F | 32.5 | Very low | 38.8 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -50.8 | 100.5 | 161.3 | -105.5 | -105.6 | 0 | 0 | 0 | 110.2 | ||||
| 135 | L | 43.6 | Very low | 38.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 108.3 | 157.2 | -73.8 | 176.6 | 0 | 0 | 0 | 107.6 | P133 | P133-L135 PolarHBondContact O-N 3.45Š| ||
| 136 | G | 35.8 | Very low | 38.8 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -58.1 | 143.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 137 | R | 34.7 | Very low | 38.7 | Very low | 239 Ų | 239 | 131.2 Ų | 131.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -52.7 | 127.6 | 154 | -80.5 | 169.9 | 159.8 | -110.3 | -0.2 | 108.4 | R139 | R137-R139 PolarHBondContact O-N 3.42Š| ||
| 138 | P | 42.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 106.2 | 165.6 | 26.9 | -28.6 | 0 | 0 | 0 | 107.9 | F140 | P138-F140 HydrophobicContact CB-CD2 4.36Å; P138-F140 HydrophobicContact CB-CE2 4.45Å; P138-F140 PolarHBondContact O-N 3.03Å | ||
| 139 | R | 37.5 | Very low | 38.9 | Very low | 227 Ų | 227 | 129.2 Ų | 129.2 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -69.8 | 109.2 | 153.9 | -106.4 | -170.6 | 167.5 | 112.4 | -3.5 | 105.5 | R137 D141 | R137-R139 PolarHBondContact O-N 3.42Å; R139-D141 PolarHBondContact O-N 3.47Å | ||
| 140 | F | 39.4 | Very low | 39.5 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 99.8 | 162.2 | -96.1 | -85.2 | 0 | 0 | 0 | 107.1 | P138 A142 | P138-F140 HydrophobicContact CB-CD2 4.36Å; P138-F140 HydrophobicContact CB-CE2 4.45Å; P138-F140 PolarHBondContact O-N 3.03Å; F140-A142 PolarHBondContact O-N 3.43Å | ||
| 141 | D | 36.7 | Very low | 39.8 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -69.7 | 116.8 | 159 | -83.6 | -47.7 | 0 | 0 | 0 | 107.8 | R139 A143 | R139-D141 PolarHBondContact O-N 3.47Å; D141-A143 PolarHBondContact O-N 2.89Å | ||
| 142 | A | 33.9 | Very low | 40.2 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | trans | -82.1 | 95.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F140 | F140-A142 PolarHBondContact O-N 3.43Š| ||
| 143 | A | 39 | Very low | 40.6 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -145.1 | 108.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D141 | D141-A143 PolarHBondContact O-N 2.89Š| ||
| 144 | S | 36.5 | Very low | 40.8 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 71.6 | 129.7 | 144.5 | -151.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 145 | A | 42.1 | Very low | 41.5 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | 80 | 103.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 146 | G | 34.8 | Very low | 41.8 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 81% | 0.814 | 71% | 0.714 | S | S | * | * | 96.8 | 103 | 121 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 147 | G | 33.8 | Very low | 42.4 | Very low | 62 Ų | 62 | 112 Ų | 112 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | trans | 83.3 | 128.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 148 | H | 41.8 | Very low | 43.2 | Very low | 180 Ų | 180 | 103.4 Ų | 103.4 | 83% | 0.833 | 69% | 0.685 | S | S | * | * | trans | 101 | 143.4 | 149 | -56.3 | -71.5 | 0 | 0 | 0 | 119.7 | N150 | H148-N150 PolarHBondContact O-N 3Š| ||
| 149 | P | 42.8 | Very low | 43.9 | Very low | 115 Ų | 115 | 103 Ų | 103 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | trans | -101.4 | 90.4 | -145.5 | 36.6 | -28.2 | 0 | 0 | 0 | 112.5 | ||||
| 150 | N | 50.9 | Low | 44.6 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | trans | -121.8 | 12.5 | 178 | -67 | -30.2 | 0 | 0 | 0 | 114.3 | H148 A152 A153 A154 | H148-N150 PolarHBondContact O-N 3Å; N150-A152 VanDerWaalsContact C-N 3.34Å; N150-A152 PolarHBondContact O-N 2.7Å; N150-A153 PolarHBondContact O-N 3Å; N150-A154 PolarHBondContact O-N 2.95Å | ||
| 151 | S | 50.8 | Low | 45.2 | Very low | 100 Ų | 100 | 96.4 Ų | 96.4 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.7 | -27.8 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 113.9 | A155 | S151-A155 WeakPolarHBondContact O-CB 3.35Å; S151-A155 PolarHBondContact O-N 3.33Å |
| 152 | A | 47.7 | Very low | 46 | Very low | 82 Ų | 82 | 92.6 Ų | 92.6 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.5 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N150 A156 | N150-A152 VanDerWaalsContact C-N 3.34Å; N150-A152 PolarHBondContact O-N 2.7Å; A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.33Å; A152-A156 PolarHBondContact O-N 3.46Å |
| 153 | A | 51.1 | Low | 46.9 | Very low | 70 Ų | 70 | 90 Ų | 90 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N150 A156 A157 | N150-A153 PolarHBondContact O-N 3Å; A153-A156 PolarHBondContact O-N 2.95Å; A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.37Å |
| 154 | A | 49.1 | Very low | 47.8 | Very low | 64 Ų | 64 | 89.4 Ų | 89.4 | 53% | 0.529 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.2 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N150 A157 A158 | N150-A154 PolarHBondContact O-N 2.95Å; A154-A157 PolarHBondContact O-N 3.43Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.85Å |
| 155 | A | 47.9 | Very low | 48.9 | Very low | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.9 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S151 A158 T159 | S151-A155 WeakPolarHBondContact O-CB 3.35Å; S151-A155 PolarHBondContact O-N 3.33Å; A155-A158 PolarHBondContact O-N 2.56Å; A155-T159 WeakPolarHBondContact O-CB 3.15Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 PolarHBondContact O-OG1 3.35Å |
| 156 | A | 49.2 | Very low | 49.5 | Very low | 52 Ų | 52 | 87.2 Ų | 87.2 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.5 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A152 A153 T159 Q160 | A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.33Å; A152-A156 PolarHBondContact O-N 3.46Å; A153-A156 PolarHBondContact O-N 2.95Å; A156-T159 PolarHBondContact O-N 3.38Å; A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å |
| 157 | A | 49.1 | Very low | 50.6 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A153 A154 Q160 M161 | A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.37Å; A154-A157 PolarHBondContact O-N 3.43Å; A157-Q160 PolarHBondContact O-N 2.97Å; A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 WeakPolarHBondContact O-CG 3.26Å; A157-M161 PolarHBondContact O-N 2.9Å |
| 158 | A | 50.9 | Low | 51.8 | Low | 60 Ų | 60 | 87 Ų | 87 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -38.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A154 A155 A162 | A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.85Å; A155-A158 PolarHBondContact O-N 2.56Å; A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.02Å |
| 159 | T | 57.3 | Low | 52.8 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 176 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | A155 A156 A162 A163 | A155-T159 WeakPolarHBondContact O-CB 3.15Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 PolarHBondContact O-OG1 3.35Å; A156-T159 PolarHBondContact O-N 3.38Å; T159-A162 PolarHBondContact O-N 2.99Å; T159-A163 WeakPolarHBondContact O-CB 3.46Å; T159-A163 PolarHBondContact O-N 3.22Å |
| 160 | Q | 51.2 | Low | 53.7 | Low | 141 Ų | 141 | 76.6 Ų | 76.6 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -50.2 | 173.7 | -77.9 | -173.1 | 0.1 | 0 | 0 | 111.1 | A156 A157 A162 A163 V164 | A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å; A157-Q160 PolarHBondContact O-N 2.97Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; Q160-A163 WeakPolarHBondContact O-CB 3.39Å; Q160-A163 PolarHBondContact O-N 2.93Å; Q160-A163 VanDerWaalsContact O-N 3.09Å; Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.15Å |
| 161 | M | 51.9 | Low | 54.3 | Low | 139 Ų | 139 | 71.7 Ų | 71.7 | 69% | 0.685 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.1 | -43.1 | 176.1 | -81.5 | -89.4 | -156.9 | 0 | 0 | 112.6 | A157 V164 N165 | A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 WeakPolarHBondContact O-CG 3.26Å; A157-M161 PolarHBondContact O-N 2.9Å; M161-V164 PolarHBondContact O-N 3.44Å; M161-N165 WeakPolarHBondContact O-CB 3.31Å; M161-N165 PolarHBondContact O-N 2.79Å |
| 162 | A | 53.7 | Low | 55 | Low | 59 Ų | 59 | 73 Ų | 73 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A158 T159 Q160 N165 A166 | A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.02Å; T159-A162 PolarHBondContact O-N 2.99Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; A162-N165 PolarHBondContact O-N 3.13Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.45Å |
| 163 | A | 52.9 | Low | 55.8 | Low | 53 Ų | 53 | 74.5 Ų | 74.5 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T159 Q160 S167 | T159-A163 WeakPolarHBondContact O-CB 3.46Å; T159-A163 PolarHBondContact O-N 3.22Å; Q160-A163 WeakPolarHBondContact O-CB 3.39Å; Q160-A163 PolarHBondContact O-N 2.93Å; Q160-A163 VanDerWaalsContact O-N 3.09Å; A163-S167 VanDerWaalsContact O-CB 3.31Å; A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.29Å |
| 164 | V | 58.3 | Low | 56.5 | Low | 77 Ų | 77 | 73.7 Ų | 73.7 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.7 | -152.7 | 0 | 0 | 0 | 0 | 111 | Q160 M161 S167 N168 | Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.15Å; M161-V164 PolarHBondContact O-N 3.44Å; V164-S167 PolarHBondContact O-N 2.91Å; V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.95Å |
| 165 | N | 60 | Low | 57.5 | Low | 113 Ų | 113 | 73.6 Ų | 73.6 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 175.6 | -96.8 | -8.6 | 0 | 0 | 0 | 112.5 | M161 A162 S167 N168 A169 | M161-N165 WeakPolarHBondContact O-CB 3.31Å; M161-N165 PolarHBondContact O-N 2.79Å; A162-N165 PolarHBondContact O-N 3.13Å; N165-S167 VanDerWaalsContact C-N 3.32Å; N165-N168 PolarHBondContact O-N 3.39Å; N165-A169 VanDerWaalsContact O-CB 3.32Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 3.08Å |
| 166 | A | 54.4 | Low | 58.6 | Low | 55 Ų | 55 | 74 Ų | 74 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A162 A169 F170 | A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.45Å; A166-A169 PolarHBondContact O-N 3.43Å; A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.35Å; A166-F170 PolarHBondContact O-N 3.4Å |
| 167 | S | 58.2 | Low | 59.3 | Low | 50 Ų | 50 | 75 Ų | 75 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 112 | A163 V164 N165 F170 A171 L181 | A163-S167 VanDerWaalsContact O-CB 3.31Å; A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.29Å; V164-S167 PolarHBondContact O-N 2.91Å; N165-S167 VanDerWaalsContact C-N 3.32Å; S167-F170 PolarHBondContact O-N 3.22Å; S167-A171 VanDerWaalsContact O-CB 3.32Å; S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.35Å; S167-L181 WeakPolarHBondContact O-CD1 3.3Å |
| 168 | N | 59.5 | Low | 59.7 | Low | 86 Ų | 86 | 76.2 Ų | 76.2 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 175.2 | -76.8 | -11.5 | 0 | 0 | 0 | 111.7 | V164 N165 F170 A171 N172 | V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.95Å; N165-N168 PolarHBondContact O-N 3.39Å; N168-F170 VanDerWaalsContact C-N 3.34Å; N168-A171 PolarHBondContact O-N 2.79Å; N168-N172 WeakPolarHBondContact O-CB 3.26Å; N168-N172 VanDerWaalsContact O-CG 3.31Å; N168-N172 PolarHBondContact O-N 3.42Å; N168-N172 PolarHBondContact O-ND2 3.42Å; N168-N172 VanDerWaalsContact O-ND2 3.12Å |
| 169 | A | 62.4 | Low | 60.1 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N165 A166 N172 L173 | N165-A169 VanDerWaalsContact O-CB 3.32Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 3.08Å; A166-A169 PolarHBondContact O-N 3.43Å; A169-N172 PolarHBondContact O-N 3.04Å; A169-L173 WeakPolarHBondContact O-CB 3.28Å; A169-L173 PolarHBondContact O-N 3.33Å |
| 170 | F | 60.5 | Low | 60.2 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 9% | 0.088 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.3 | -172.7 | -72.3 | 0 | 0 | 0 | 111.7 | A166 S167 N168 N172 L173 T174 L176 L181 V184 V192 | A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.35Å; A166-F170 PolarHBondContact O-N 3.4Å; S167-F170 PolarHBondContact O-N 3.22Å; N168-F170 VanDerWaalsContact C-N 3.34Å; F170-N172 VanDerWaalsContact C-N 3.33Å; F170-N172 PolarHBondContact O-N 2.91Å; F170-L173 PolarHBondContact O-N 3.07Å; F170-L173 VanDerWaalsContact O-N 3.17Å; F170-T174 HydrophobicContact CD1-CG2 3.81Å; F170-T174 VanDerWaalsContact CD1-OG1 3.3Å; F170-T174 WeakPolarHBondContact CD1-OG1 3.37Å; F170-T174 HydrophobicContact CE1-CG2 3.58Å; F170-T174 WeakPolarHBondContact CE1-OG1 3.41Å; F170-T174 HydrophobicContact CE2-CG2 4.35Å; F170-T174 HydrophobicContact CG-CG2 4.3Å; F170-T174 HydrophobicContact CZ-CG2 3.88Å; F170-T174 WeakPolarHBondContact O-CB 3.3Å; F170-T174 WeakPolarHBondContact O-CG2 3.33Å; F170-T174 PolarHBondContact O-N 3.49Å; F170-T174 PolarHBondContact O-OG1 2.89Å; F170-L176 HydrophobicContact CE1-CD2 4.5Å; F170-L181 HydrophobicContact CD1-CD1 4.42Å; F170-L181 HydrophobicContact CD1-CD2 3.12Å; F170-L181 HydrophobicContact CD1-CG 4.4Å; F170-L181 HydrophobicContact CE1-CD2 3.21Å; F170-L181 HydrophobicContact CG-CD2 4.15Å; F170-L181 HydrophobicContact CZ-CD2 4.29Å; F170-V184 HydrophobicContact CZ-CG1 4.47Å; F170-V192 HydrophobicContact CD2-CB 3.72Å; F170-V192 HydrophobicContact CD2-CG1 3.39Å; F170-V192 HydrophobicContact CD2-CG2 4.2Å; F170-V192 HydrophobicContact CE2-CB 3.6Å; F170-V192 HydrophobicContact CE2-CG1 3.64Å; F170-V192 HydrophobicContact CE2-CG2 3.57Å; F170-V192 HydrophobicContact CG-CG1 4.42Å; F170-V192 HydrophobicContact CZ-CG2 4.5Å |
| 171 | A | 63.4 | Low | 60.5 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S167 N168 G175 L176 L181 | S167-A171 VanDerWaalsContact O-CB 3.32Å; S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.35Å; N168-A171 PolarHBondContact O-N 2.79Å; A171-G175 VanDerWaalsContact O-CA 3.28Å; A171-G175 WeakPolarHBondContact O-CA 3.43Å; A171-G175 PolarHBondContact O-N 3.3Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; A171-L181 HydrophobicContact CB-CD1 4.24Å |
| 172 | N | 66 | Low | 61.1 | Low | 128 Ų | 128 | 72.1 Ų | 72.1 | 68% | 0.684 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 174.8 | -76.4 | -35.9 | 0 | 0 | 0 | 112.5 | N168 A169 F170 | N168-N172 WeakPolarHBondContact O-CB 3.26Å; N168-N172 VanDerWaalsContact O-CG 3.31Å; N168-N172 PolarHBondContact O-N 3.42Å; N168-N172 PolarHBondContact O-ND2 3.42Å; N168-N172 VanDerWaalsContact O-ND2 3.12Å; A169-N172 PolarHBondContact O-N 3.04Å; F170-N172 VanDerWaalsContact C-N 3.33Å; F170-N172 PolarHBondContact O-N 2.91Å |
| 173 | L | 64.5 | Low | 61.3 | Low | 113 Ų | 113 | 76 Ų | 76 | 59% | 0.592 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74.8 | -34.3 | -179 | -154.9 | 94.4 | 0 | 0 | 0 | 112.8 | A169 F170 V192 | A169-L173 WeakPolarHBondContact O-CB 3.28Å; A169-L173 PolarHBondContact O-N 3.33Å; F170-L173 PolarHBondContact O-N 3.07Å; F170-L173 VanDerWaalsContact O-N 3.17Å; L173-V192 HydrophobicContact CD2-CG1 4.38Å |
| 174 | T | 67 | Low | 61.6 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 33% | 0.325 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -107.2 | -13.4 | -170.3 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | F170 L176 | F170-T174 HydrophobicContact CD1-CG2 3.81Å; F170-T174 VanDerWaalsContact CD1-OG1 3.3Å; F170-T174 WeakPolarHBondContact CD1-OG1 3.37Å; F170-T174 HydrophobicContact CE1-CG2 3.58Å; F170-T174 WeakPolarHBondContact CE1-OG1 3.41Å; F170-T174 HydrophobicContact CE2-CG2 4.35Å; F170-T174 HydrophobicContact CG-CG2 4.3Å; F170-T174 HydrophobicContact CZ-CG2 3.88Å; F170-T174 WeakPolarHBondContact O-CB 3.3Å; F170-T174 WeakPolarHBondContact O-CG2 3.33Å; F170-T174 PolarHBondContact O-N 3.49Å; F170-T174 PolarHBondContact O-OG1 2.89Å; T174-L176 HydrophobicContact CG2-CD1 4.39Å; T174-L176 PolarHBondContact O-N 2.92Å; T174-L176 VanDerWaalsContact OG1-CD1 3.24Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-L176 PolarHBondContact OG1-N 2.99Å |
| 175 | G | 69.8 | Low | 61.8 | Low | 62 Ų | 62 | 73.8 Ų | 73.8 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | trans | 68.4 | 8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A171 | A171-G175 VanDerWaalsContact O-CA 3.28Å; A171-G175 WeakPolarHBondContact O-CA 3.43Å; A171-G175 PolarHBondContact O-N 3.3Å | ||
| 176 | L | 69.9 | Low | 61.8 | Low | 63 Ų | 63 | 72 Ų | 72 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | trans | -74 | 134.2 | 177.9 | -85.9 | 86.8 | 0 | 0 | 0 | 110.5 | F170 A171 T174 A180 L181 | F170-L176 HydrophobicContact CE1-CD2 4.5Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; T174-L176 HydrophobicContact CG2-CD1 4.39Å; T174-L176 PolarHBondContact O-N 2.92Å; T174-L176 VanDerWaalsContact OG1-CD1 3.24Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-L176 PolarHBondContact OG1-N 2.99Å; L176-A180 HydrophobicContact CB-CB 4.14Å; L176-A180 HydrophobicContact CD2-CB 3.7Å; L176-A180 HydrophobicContact CG-CB 4.11Å; L176-L181 HydrophobicContact CB-CD2 3.99Å; L176-L181 HydrophobicContact CD2-CD2 4.37Å | ||
| 177 | S | 63.8 | Low | 61.9 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | trans | -65.5 | 154.8 | 170.7 | 74 | 0 | 0 | 0 | 0 | 110.6 | A179 A180 L181 | S177-A179 PolarHBondContact O-N 3.4Å; S177-A180 PolarHBondContact O-N 2.83Å; S177-L181 PolarHBondContact O-N 2.67Å | ||
| 178 | A | 58.4 | Low | 62 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 179 | A | 59.6 | Low | 62.2 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S177 L181 R182 | S177-A179 PolarHBondContact O-N 3.4Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 3.28Å; A179-R182 PolarHBondContact O-N 2.94Å |
| 180 | A | 58.4 | Low | 62.4 | Low | 38 Ų | 38 | 74.6 Ų | 74.6 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -73 | -22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L176 S177 R182 | L176-A180 HydrophobicContact CB-CB 4.14Å; L176-A180 HydrophobicContact CD2-CB 3.7Å; L176-A180 HydrophobicContact CG-CB 4.11Å; S177-A180 PolarHBondContact O-N 2.83Å; A180-R182 VanDerWaalsContact C-N 3.27Å; A180-R182 PolarHBondContact O-N 3.38Å |
| 181 | L | 59 | Low | 62.5 | Low | 29 Ų | 29 | 76.4 Ų | 76.4 | 15% | 0.152 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -70.4 | -19.4 | 175.4 | -57.9 | -176 | 0 | 0 | 0 | 114 | S167 F170 A171 L176 S177 A179 N183 V184 | S167-L181 WeakPolarHBondContact O-CD1 3.3Å; F170-L181 HydrophobicContact CD1-CD1 4.42Å; F170-L181 HydrophobicContact CD1-CD2 3.12Å; F170-L181 HydrophobicContact CD1-CG 4.4Å; F170-L181 HydrophobicContact CE1-CD2 3.21Å; F170-L181 HydrophobicContact CG-CD2 4.15Å; F170-L181 HydrophobicContact CZ-CD2 4.29Å; A171-L181 HydrophobicContact CB-CD1 4.24Å; L176-L181 HydrophobicContact CB-CD2 3.99Å; L176-L181 HydrophobicContact CD2-CD2 4.37Å; S177-L181 PolarHBondContact O-N 2.67Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 3.28Å; L181-N183 PolarHBondContact O-N 3.48Å; L181-V184 PolarHBondContact O-N 3.39Å |
| 182 | R | 63.3 | Low | 62.5 | Low | 218 Ų | 218 | 77.3 Ų | 77.3 | 82% | 0.823 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -70.8 | -16.5 | -178.5 | -63.1 | -174.2 | 174.3 | -175.2 | -2.5 | 113.6 | A179 A180 | A179-R182 PolarHBondContact O-N 2.94Å; A180-R182 VanDerWaalsContact C-N 3.27Å; A180-R182 PolarHBondContact O-N 3.38Å |
| 183 | N | 58.9 | Low | 62.6 | Low | 142 Ų | 142 | 73.7 Ų | 73.7 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -104.3 | 2.8 | 179.9 | -67.6 | -20.5 | 0 | 0 | 0 | 113.5 | L181 | L181-N183 PolarHBondContact O-N 3.48Š|
| 184 | V | 59 | Low | 62.8 | Low | 22 Ų | 22 | 71 Ų | 71 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -84.8 | 122.8 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | F170 L181 Q188 T189 | F170-V184 HydrophobicContact CZ-CG1 4.47Å; L181-V184 PolarHBondContact O-N 3.39Å; V184-Q188 HydrophobicContact CG1-CB 3.47Å; V184-Q188 VanDerWaalsContact CG1-CB 3.47Å; V184-T189 HydrophobicContact CB-CG2 4.3Å; V184-T189 HydrophobicContact CG1-CG2 3.72Å |
| 185 | S | 62.7 | Low | 63 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | trans | -61.6 | 150.4 | -179.4 | 80.9 | 0 | 0 | 0 | 0 | 111.3 | A187 Q188 T189 | S185-A187 PolarHBondContact O-N 2.92Å; S185-A187 VanDerWaalsContact O-N 3.09Å; S185-Q188 WeakPolarHBondContact O-CB 3.3Å; S185-Q188 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact OG-N 3.42Å; S185-T189 PolarHBondContact O-N 3.08Å; S185-T189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | A | 59.6 | Low | 63.1 | Low | 77 Ų | 77 | 71.6 Ų | 71.6 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -50.2 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q188 T189 T190 | A186-Q188 PolarHBondContact O-N 3.45Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 3.44Å; A186-T189 PolarHBondContact O-OG1 2.82Å; A186-T190 PolarHBondContact O-N 3.41Å; A186-T190 PolarHBondContact O-OG1 2.72Å |
| 187 | A | 56.2 | Low | 63.2 | Low | 72 Ų | 72 | 72 Ų | 72 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S185 T190 A191 | S185-A187 PolarHBondContact O-N 2.92Å; S185-A187 VanDerWaalsContact O-N 3.09Å; A187-T190 PolarHBondContact O-N 2.79Å; A187-A191 WeakPolarHBondContact O-CB 3.01Å; A187-A191 PolarHBondContact O-N 3.28Å |
| 188 | Q | 59.7 | Low | 63.5 | Low | 71 Ų | 71 | 72 Ų | 72 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 176.4 | -71.3 | 174.6 | 10.7 | 0 | 0 | 111.2 | L106 V184 S185 A186 A191 V192 | L106-Q188 VanDerWaalsContact CD2-OE1 3.28Å; V184-Q188 HydrophobicContact CG1-CB 3.47Å; V184-Q188 VanDerWaalsContact CG1-CB 3.47Å; S185-Q188 WeakPolarHBondContact O-CB 3.3Å; S185-Q188 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact OG-N 3.42Å; A186-Q188 PolarHBondContact O-N 3.45Å; Q188-A191 PolarHBondContact O-N 3.35Å; Q188-V192 WeakPolarHBondContact O-CG2 3.43Å; Q188-V192 PolarHBondContact O-N 2.86Å; Q188-V192 VanDerWaalsContact O-N 3.12Å |
| 189 | T | 63.8 | Low | 64.2 | Low | 63 Ų | 63 | 72 Ų | 72 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.6 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | V184 S185 A186 A193 | V184-T189 HydrophobicContact CB-CG2 4.3Å; V184-T189 HydrophobicContact CG1-CG2 3.72Å; S185-T189 PolarHBondContact O-N 3.08Å; S185-T189 VanDerWaalsContact O-N 3.09Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 3.44Å; A186-T189 PolarHBondContact O-OG1 2.82Å; T189-A193 VanDerWaalsContact O-CB 3.3Å; T189-A193 WeakPolarHBondContact O-CB 3.3Å; T189-A193 PolarHBondContact O-N 2.91Å |
| 190 | T | 68 | Low | 64.7 | Low | 94 Ų | 94 | 71.4 Ų | 71.4 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | A186 A187 V192 A193 A194 | A186-T190 PolarHBondContact O-N 3.41Å; A186-T190 PolarHBondContact O-OG1 2.72Å; A187-T190 PolarHBondContact O-N 2.79Å; T190-V192 PolarHBondContact O-N 2.88Å; T190-A193 PolarHBondContact O-N 3.3Å; T190-A194 WeakPolarHBondContact O-CB 3.48Å; T190-A194 PolarHBondContact O-N 2.89Å |
| 191 | A | 62.6 | Low | 65.3 | Low | 58 Ų | 58 | 73.3 Ų | 73.3 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A187 Q188 A194 V195 | A187-A191 WeakPolarHBondContact O-CB 3.01Å; A187-A191 PolarHBondContact O-N 3.28Å; Q188-A191 PolarHBondContact O-N 3.35Å; A191-A194 PolarHBondContact O-N 3.09Å; A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.08Å |
| 192 | V | 62.2 | Low | 65.8 | Low | 42 Ų | 42 | 76.7 Ų | 76.7 | 26% | 0.255 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.8 | -37 | 178.7 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | F170 L173 Q188 T190 A194 V195 A196 | F170-V192 HydrophobicContact CD2-CB 3.72Å; F170-V192 HydrophobicContact CD2-CG1 3.39Å; F170-V192 HydrophobicContact CD2-CG2 4.2Å; F170-V192 HydrophobicContact CE2-CB 3.6Å; F170-V192 HydrophobicContact CE2-CG1 3.64Å; F170-V192 HydrophobicContact CE2-CG2 3.57Å; F170-V192 HydrophobicContact CG-CG1 4.42Å; F170-V192 HydrophobicContact CZ-CG2 4.5Å; L173-V192 HydrophobicContact CD2-CG1 4.38Å; Q188-V192 WeakPolarHBondContact O-CG2 3.43Å; Q188-V192 PolarHBondContact O-N 2.86Å; Q188-V192 VanDerWaalsContact O-N 3.12Å; T190-V192 PolarHBondContact O-N 2.88Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 2.97Å; V192-V195 PolarHBondContact O-N 3.48Å; V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.9Å |
| 193 | A | 68 | Low | 66.1 | Low | 53 Ų | 53 | 71.5 Ų | 71.5 | 44% | 0.438 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T189 T190 A196 S197 | T189-A193 VanDerWaalsContact O-CB 3.3Å; T189-A193 WeakPolarHBondContact O-CB 3.3Å; T189-A193 PolarHBondContact O-N 2.91Å; T190-A193 PolarHBondContact O-N 3.3Å; A193-A196 PolarHBondContact O-N 2.78Å; A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 2.98Å |
| 194 | A | 69.1 | Low | 66.6 | Low | 55 Ų | 55 | 70.5 Ų | 70.5 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | T190 A191 V192 S197 T198 | T190-A194 WeakPolarHBondContact O-CB 3.48Å; T190-A194 PolarHBondContact O-N 2.89Å; A191-A194 PolarHBondContact O-N 3.09Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 2.97Å; A194-S197 PolarHBondContact O-N 3.5Å; A194-T198 WeakPolarHBondContact O-CG2 3.39Å; A194-T198 PolarHBondContact O-N 3.36Å |
| 195 | V | 71.7 | Confident | 66.8 | Low | 84 Ų | 84 | 79.6 Ų | 79.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | A191 V192 S197 T198 V199 | A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.08Å; V192-V195 PolarHBondContact O-N 3.48Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; V195-T198 PolarHBondContact O-N 2.94Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.44Å; V195-V199 HydrophobicContact CG1-CG2 4.44Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.41Å |
| 196 | A | 71.6 | Confident | 67 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V192 A193 V199 A200 | V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.9Å; A193-A196 PolarHBondContact O-N 2.78Å; A196-V199 PolarHBondContact O-N 2.92Å; A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.04Å |
| 197 | S | 71.3 | Confident | 67.2 | Low | 72 Ų | 72 | 86.3 Ų | 86.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | A193 A194 V195 A200 T201 | A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 2.98Å; A194-S197 PolarHBondContact O-N 3.5Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; S197-A200 PolarHBondContact O-N 2.85Å; S197-T201 WeakPolarHBondContact O-CB 3.35Å; S197-T201 WeakPolarHBondContact O-CG2 3.46Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 2.66Å |
| 198 | T | 70.6 | Confident | 67.5 | Low | 73 Ų | 73 | 87.1 Ų | 87.1 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | A194 V195 T201 I202 | A194-T198 WeakPolarHBondContact O-CG2 3.39Å; A194-T198 PolarHBondContact O-N 3.36Å; V195-T198 PolarHBondContact O-N 2.94Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.44Å; T198-T201 WeakPolarHBondContact CA-OG1 3.49Å; T198-T201 PolarHBondContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.12Å; T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.96Å |
| 199 | V | 71.9 | Confident | 66.9 | Low | 78 Ų | 78 | 86.4 Ų | 86.4 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 176 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V195 A196 I202 Q203 | V195-V199 HydrophobicContact CG1-CG2 4.44Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.41Å; A196-V199 PolarHBondContact O-N 2.92Å; V199-I202 PolarHBondContact O-N 2.91Å; V199-Q203 PolarHBondContact O-N 3.4Å |
| 200 | A | 71 | Confident | 66.3 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A196 S197 Q203 H204 | A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.04Å; S197-A200 PolarHBondContact O-N 2.85Å; A200-Q203 PolarHBondContact O-N 2.86Å; A200-H204 VanDerWaalsContact O-CB 3.29Å; A200-H204 WeakPolarHBondContact O-CB 3.28Å; A200-H204 PolarHBondContact O-N 3.28Å |
| 201 | T | 70.5 | Confident | 65.3 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 175.8 | 50 | 0 | 0 | 0 | 0 | 112.5 | S197 T198 R205 | S197-T201 WeakPolarHBondContact O-CB 3.35Å; S197-T201 WeakPolarHBondContact O-CG2 3.46Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 2.66Å; T198-T201 WeakPolarHBondContact CA-OG1 3.49Å; T198-T201 PolarHBondContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.12Å; T201-R205 WeakPolarHBondContact O-CB 3.4Å; T201-R205 PolarHBondContact O-N 3.01Å |
| 202 | I | 70.9 | Confident | 64.3 | Low | 100 Ų | 100 | 102.5 Ų | 102.5 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -45.1 | 171.9 | -69.3 | 164.7 | 0 | 0 | 0 | 110.3 | T198 V199 R205 L206 | T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.96Å; V199-I202 PolarHBondContact O-N 2.91Å; I202-R205 PolarHBondContact O-N 3.22Å; I202-L206 HydrophobicContact CG2-CD1 3.72Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.28Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.41Å |
| 203 | Q | 69.6 | Low | 63.2 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.3 | -46.4 | 174 | -83.9 | -156.3 | -30.8 | 0 | 0 | 111.8 | V199 A200 R205 L206 M207 | V199-Q203 PolarHBondContact O-N 3.4Å; A200-Q203 PolarHBondContact O-N 2.86Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.39Å; Q203-L206 CarbonylContact O-C 3.6Å; Q203-L206 PolarHBondContact O-N 2.82Å; Q203-L206 VanDerWaalsContact O-N 3.08Å; Q203-M207 WeakPolarHBondContact O-CB 3.48Å; Q203-M207 WeakPolarHBondContact O-CG 3.36Å; Q203-M207 PolarHBondContact O-N 3.47Å |
| 204 | H | 68.3 | Low | 62.3 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.3 | -39.7 | 177.4 | -170.6 | -110.4 | 0 | 0 | 0 | 111.6 | A200 M207 I208 | A200-H204 VanDerWaalsContact O-CB 3.29Å; A200-H204 WeakPolarHBondContact O-CB 3.28Å; A200-H204 PolarHBondContact O-N 3.28Å; H204-M207 PolarHBondContact O-N 2.83Å; H204-I208 WeakPolarHBondContact CE1-CD1 3.43Å; H204-I208 WeakPolarHBondContact ND1-CD1 3.41Å; H204-I208 VanDerWaalsContact NE2-CD1 3.28Å; H204-I208 WeakPolarHBondContact NE2-CD1 3.46Å; H204-I208 WeakPolarHBondContact O-CB 3.31Å; H204-I208 VanDerWaalsContact O-CG1 3.28Å; H204-I208 WeakPolarHBondContact O-CG1 3.33Å; H204-I208 PolarHBondContact O-N 3.22Å |
| 205 | R | 63.3 | Low | 61.6 | Low | 213 Ų | 213 | 112.8 Ų | 112.8 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.9 | -34.1 | 173.4 | -87.4 | -164.8 | 169.5 | -175.6 | -0.5 | 113.8 | T201 I202 Q203 G209 | T201-R205 WeakPolarHBondContact O-CB 3.4Å; T201-R205 PolarHBondContact O-N 3.01Å; I202-R205 PolarHBondContact O-N 3.22Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.39Å; R205-G209 PolarHBondContact O-N 2.73Å |
| 206 | L | 67.7 | Low | 60.7 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.4 | -36.1 | 175.2 | -72.8 | 164.2 | 0 | 0 | 0 | 111.5 | I202 Q203 | I202-L206 HydrophobicContact CG2-CD1 3.72Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.28Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.41Å; Q203-L206 CarbonylContact O-C 3.6Å; Q203-L206 PolarHBondContact O-N 2.82Å; Q203-L206 VanDerWaalsContact O-N 3.08Å |
| 207 | M | 63.7 | Low | 59.6 | Low | 145 Ų | 145 | 117.8 Ų | 117.8 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.2 | -30.7 | 177.1 | -67.7 | 169.7 | 167.8 | 0 | 0 | 112.8 | Q203 H204 G209 | Q203-M207 WeakPolarHBondContact O-CB 3.48Å; Q203-M207 WeakPolarHBondContact O-CG 3.36Å; Q203-M207 PolarHBondContact O-N 3.47Å; H204-M207 PolarHBondContact O-N 2.83Å; M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.84Å |
| 208 | I | 62.5 | Low | 58.9 | Low | 88 Ų | 88 | 117.6 Ų | 117.6 | 45% | 0.451 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | 10.7 | 178.2 | -65.1 | 174.6 | 0 | 0 | 0 | 112.4 | H204 N210 | H204-I208 WeakPolarHBondContact CE1-CD1 3.43Å; H204-I208 WeakPolarHBondContact ND1-CD1 3.41Å; H204-I208 VanDerWaalsContact NE2-CD1 3.28Å; H204-I208 WeakPolarHBondContact NE2-CD1 3.46Å; H204-I208 WeakPolarHBondContact O-CB 3.31Å; H204-I208 VanDerWaalsContact O-CG1 3.28Å; H204-I208 WeakPolarHBondContact O-CG1 3.33Å; H204-I208 PolarHBondContact O-N 3.22Å; I208-N210 PolarHBondContact O-N 3.27Å |
| 209 | G | 46 | Very low | 58.4 | Low | 56 Ų | 56 | 120.2 Ų | 120.2 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | 108.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R205 M207 | R205-G209 PolarHBondContact O-N 2.73Å; M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.84Å |
| 210 | N | 51.6 | Low | 57.3 | Low | 144 Ų | 144 | 122.6 Ų | 122.6 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.2 | 47.7 | 159.6 | -147.8 | 86.5 | 0 | 0 | 0 | 119.4 | I208 | I208-N210 PolarHBondContact O-N 3.27Š|
| 211 | R | 47.2 | Very low | 56.6 | Low | 221 Ų | 221 | 125.7 Ų | 125.7 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -118.7 | 18.6 | 164.1 | -80.8 | -157.2 | 165.6 | -162.5 | -3.4 | 116.5 | S213 | R211-S213 PolarHBondContact O-N 2.95Š| ||
| 212 | Q | 42.1 | Very low | 55.2 | Low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -97.9 | 72.7 | 176 | -67.3 | 176.6 | 6.6 | 0 | 0 | 111.4 | ||||
| 213 | S | 39.8 | Very low | 54 | Low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -179.4 | 73.7 | 156.9 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | R211 | R211-S213 PolarHBondContact O-N 2.95Š| ||
| 214 | L | 48.2 | Very low | 52.8 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -136.5 | 117.4 | 168.5 | -91.7 | 149.1 | 0 | 0 | 0 | 107.6 | ||||
| 215 | P | 53.6 | Low | 52 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 157.6 | 172.5 | 30.9 | -32.3 | 0 | 0 | 0 | 110.1 | A217 | P215-A217 PolarHBondContact O-N 3.39Š|
| 216 | P | 53.8 | Low | 51.1 | Low | 133 Ų | 133 | 129.2 Ų | 129.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 116.8 | -177.5 | 29.5 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 217 | A | 48.9 | Very low | 50.4 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 132 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | P215 | P215-A217 PolarHBondContact O-N 3.39Š|
| 218 | G | 56.1 | Low | 49.4 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -68.7 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 219 | P | 60.1 | Low | 48.4 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 154.4 | -167.1 | 32 | -34.6 | 0 | 0 | 0 | 112.8 | ||
| 220 | P | 48.7 | Very low | 48.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132 | -174.5 | 33.1 | -31 | 0 | 0 | 0 | 110.5 | ||
| 221 | S | 55.3 | Low | 48.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 127.2 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 222 | E | 42.6 | Very low | 48.5 | Very low | 195 Ų | 195 | 126.4 Ų | 126.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146.7 | 172 | -63.2 | -174.8 | 145.7 | 0 | 0 | 111.7 | ||
| 223 | G | 45.9 | Very low | 48.9 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -179.8 | 80.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 224 | S | 43.6 | Very low | 49 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -46.2 | 140.8 | 163.7 | 47 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | N | 50.6 | Low | 49 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -178.1 | 117.4 | 130.7 | -80.3 | -28.9 | 0 | 0 | 0 | 109.8 | ||||
| 226 | E | 45.1 | Very low | 49 | Very low | 179 Ų | 179 | 125 Ų | 125 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -41.5 | 134.5 | 157.4 | 51.9 | -135.5 | 82.7 | 0 | 0 | 115.4 | ||||
| 227 | D | 52.8 | Low | 49.2 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -176.2 | 146.9 | 130 | -164.9 | 26.3 | 0 | 0 | 0 | 111 | ||||
| 228 | G | 43.4 | Very low | 49.6 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 153.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 229 | G | 40.9 | Very low | 49.5 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -178.7 | 105.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 230 | F | 50.3 | Low | 49.3 | Very low | 205 Ų | 205 | 123 Ų | 123 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | trans | 3.1 | 132.5 | 163.4 | -73.1 | -95.7 | 0 | 0 | 0 | 120.2 | G232 | F230-G232 PolarHBondContact O-N 3.14Š| ||
| 231 | P | 49.7 | Very low | 49.9 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -77.1 | 93.1 | 168.9 | 32.3 | -29.8 | 0 | 0 | 0 | 109.9 | D233 | P231-D233 PolarHBondContact O-N 2.82Š| ||
| 232 | G | 46.2 | Very low | 50.1 | Low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -69.5 | 121.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F230 G234 | F230-G232 PolarHBondContact O-N 3.14Å; G232-G234 PolarHBondContact O-N 3.24Å | ||
| 233 | D | 52.2 | Low | 51.5 | Low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 122.5 | 174.3 | -173.5 | 50.8 | 0 | 0 | 0 | 111.5 | P231 | P231-D233 PolarHBondContact O-N 2.82Š| ||
| 234 | G | 41.2 | Very low | 53 | Low | 54 Ų | 54 | 134.2 Ų | 134.2 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | trans | 49.3 | 95.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121 | G232 | G232-G234 PolarHBondContact O-N 3.24Š| ||
| 235 | D | 48.7 | Very low | 54.5 | Low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -158.3 | 69.2 | 149.7 | -88.5 | -44.7 | 0 | 0 | 0 | 112.1 | ||||
| 236 | D | 52.3 | Low | 56.2 | Low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -102 | 68.2 | 165.2 | -167.6 | 57.3 | 0 | 0 | 0 | 110.2 | ||||
| 237 | D | 59.2 | Low | 58.3 | Low | 114 Ų | 114 | 137 Ų | 137 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -123.2 | 6.3 | 165.8 | -144.1 | -113.3 | 0 | 0 | 0 | 112.2 | R245 | D237-R245 IonicContact OD1-NH2 3.56Å; D237-R245 PolarHBondContact OD1-NH2 3.15Å | ||
| 238 | S | 56 | Low | 60 | Low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -95.4 | -4 | -170.9 | -67.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 239 | S | 55.2 | Low | 62.4 | Low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -105.7 | 5 | -177.9 | 74.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 240 | A | 56 | Low | 65 | Low | 47 Ų | 47 | 133.3 Ų | 133.3 | 39% | 0.388 | 71% | 0.713 | S | S | . | * | trans | -122.9 | 31.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K242 R243 | A240-K242 PolarHBondContact O-N 3.11Å; A240-R243 HydrophobicContact CB-CB 4.46Å; A240-R243 PolarHBondContact O-N 3.44Å | ||
| 241 | A | 60.3 | Low | 67.2 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 8.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 242 | K | 60.6 | Low | 69.4 | Low | 201 Ų | 201 | 125.7 Ų | 125.7 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 2.9 | 170.3 | -100.6 | 95.6 | -178.4 | -178.4 | 0 | 115.3 | A240 | A240-K242 PolarHBondContact O-N 3.11Š|
| 243 | R | 72.2 | Confident | 71.8 | Confident | 202 Ų | 202 | 127.9 Ų | 127.9 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -99.5 | 122.6 | -180 | -67.2 | -176.3 | 65.1 | -163.2 | -2 | 110.7 | A240 R245 | A240-R243 HydrophobicContact CB-CB 4.46Å; A240-R243 PolarHBondContact O-N 3.44Å; R243-R245 PolarHBondContact O-N 3.04Å |
| 244 | R | 76.1 | Confident | 74 | Confident | 247 Ų | 247 | 121.2 Ų | 121.2 | 93% | 0.932 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.3 | 172.4 | -70.6 | 175.6 | 68.8 | 176.4 | 3.2 | 109.4 | ||
| 245 | R | 76 | Confident | 76.7 | Confident | 178 Ų | 178 | 122.1 Ų | 122.1 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.9 | 178.7 | -168.9 | 169.9 | -77.6 | 159.6 | -3.9 | 110.7 | D237 R243 | D237-R245 IonicContact OD1-NH2 3.56Å; D237-R245 PolarHBondContact OD1-NH2 3.15Å; R243-R245 PolarHBondContact O-N 3.04Å |
| 246 | S | 85.6 | Confident | 79 | Confident | 97 Ų | 97 | 119.5 Ų | 119.5 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.8 | -178 | -171.7 | 0 | 0 | 0 | 0 | 112 | R286 | S246-R286 PolarHBondContact O-NH1 2.92Å; S246-R286 PolarHBondContact O-NH2 3.26Å |
| 247 | R | 88.5 | Confident | 81.1 | Confident | 211 Ų | 211 | 113.1 Ų | 113.1 | 80% | 0.796 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 132.1 | 178.6 | -179.9 | 174.7 | 178.1 | 148.6 | -1.2 | 109.8 | ||
| 248 | T | 90 | Very high | 83 | Confident | 39 Ų | 39 | 107.7 Ų | 107.7 | 24% | 0.239 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 132.5 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 110 | F250 L282 R286 | T248-F250 HydrophobicContact CG2-CD1 4.14Å; T248-F250 HydrophobicContact CG2-CE1 3.82Å; T248-F250 HydrophobicContact CG2-CE2 4.42Å; T248-F250 HydrophobicContact CG2-CZ 3.98Å; T248-L282 HydrophobicContact CG2-CD2 4.09Å; T248-R286 WeakPolarHBondContact OG1-CD 3.34Å; T248-R286 PolarHBondContact OG1-NE 3Å; T248-R286 PolarHBondContact OG1-NH1 2.92Å |
| 249 | N | 94.1 | Very high | 85 | Confident | 138 Ų | 138 | 104.8 Ų | 104.8 | 74% | 0.738 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 126.7 | 165.5 | -63.8 | -61 | 0 | 0 | 0 | 107.7 | ||
| 250 | F | 94.2 | Very high | 87 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 26% | 0.263 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 139 | 177.1 | -58 | -79.2 | 0 | 0 | 0 | 109.3 | T248 L255 L258 L282 W290 | T248-F250 HydrophobicContact CG2-CD1 4.14Å; T248-F250 HydrophobicContact CG2-CE1 3.82Å; T248-F250 HydrophobicContact CG2-CE2 4.42Å; T248-F250 HydrophobicContact CG2-CZ 3.98Å; F250-L255 HydrophobicContact CB-CD1 4.42Å; F250-L255 HydrophobicContact CB-CD2 3.66Å; F250-L255 HydrophobicContact CB-CG 3.78Å; F250-L255 HydrophobicContact CD2-CD2 4.23Å; F250-L255 HydrophobicContact CG-CD2 4.08Å; F250-L258 HydrophobicContact CD1-CD1 4.16Å; F250-L258 HydrophobicContact CE1-CD1 4.3Å; F250-L282 HydrophobicContact CD1-CD1 3.78Å; F250-L282 HydrophobicContact CD1-CD2 4.18Å; F250-L282 HydrophobicContact CE1-CD1 3.71Å; F250-L282 HydrophobicContact CE1-CD2 4.16Å; F250-W290 AromaticContact CE2-CD1 3.72Å; F250-W290 HydrophobicContact CZ-CB 4.16Å; F250-W290 AromaticContact CZ-CD1 3.88Å; F250-W290 HydrophobicContact CZ-CG 4.4Å |
| 251 | N | 96.2 | Very high | 88.9 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -74 | 160.8 | 170.6 | -162.7 | 3.7 | 0 | 0 | 0 | 110.8 | W253 Q254 L255 | N251-W253 PolarHBondContact O-N 3.05Å; N251-Q254 HydrophobicContact CB-CG 4.15Å; N251-Q254 WeakPolarHBondContact O-CB 3.41Å; N251-Q254 PolarHBondContact O-N 2.94Å; N251-Q254 VanDerWaalsContact O-N 3.17Å; N251-L255 WeakPolarHBondContact O-CG 3.45Å; N251-L255 PolarHBondContact O-N 2.88Å |
| 252 | S | 96.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 100.8 Ų | 100.8 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.2 | -50 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | Q254 L255 E256 | S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.44Å; S252-L255 WeakPolarHBondContact O-CB 3.48Å; S252-L255 PolarHBondContact O-N 2.99Å; S252-E256 WeakPolarHBondContact O-CG 3.36Å; S252-E256 PolarHBondContact O-N 2.86Å; S252-E256 PolarHBondContact OG-OE1 2.8Å |
| 253 | W | 97.2 | Very high | 92.4 | Very high | 118 Ų | 118 | 95.5 Ų | 95.5 | 45% | 0.447 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 178.1 | 170.4 | 79.7 | 0 | 0 | 0 | 112.9 | N251 L255 E256 E257 R279 L280 | N251-W253 PolarHBondContact O-N 3.05Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.46Å; W253-E256 PolarHBondContact O-N 2.94Å; W253-E257 WeakPolarHBondContact O-CB 3.32Å; W253-E257 PolarHBondContact O-N 3.17Å; W253-R279 VanDerWaalsContact CH2-O 3.29Å; W253-R279 WeakPolarHBondContact CH2-O 3.37Å; W253-L280 HydrophobicContact CE3-CD2 4.08Å; W253-L280 HydrophobicContact CH2-CD2 3.5Å; W253-L280 VanDerWaalsContact CH2-CD2 3.5Å; W253-L280 HydrophobicContact CZ2-CD2 4.04Å; W253-L280 HydrophobicContact CZ3-CD2 3.5Å; W253-L280 VanDerWaalsContact CZ3-CD2 3.5Å |
| 254 | Q | 97.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 90.1 Ų | 90.1 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 175.7 | -66.9 | 173.1 | -32 | 0 | 0 | 111.1 | N251 S252 E257 L258 L280 | N251-Q254 HydrophobicContact CB-CG 4.15Å; N251-Q254 WeakPolarHBondContact O-CB 3.41Å; N251-Q254 PolarHBondContact O-N 2.94Å; N251-Q254 VanDerWaalsContact O-N 3.17Å; S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.44Å; Q254-E257 PolarHBondContact O-N 2.86Å; Q254-L258 WeakPolarHBondContact O-CB 3.05Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 3.33Å; Q254-L258 PolarHBondContact O-N 3.34Å; Q254-L280 HydrophobicContact CB-CD2 4.48Å; Q254-L280 HydrophobicContact CG-CB 4.35Å; Q254-L280 HydrophobicContact CG-CD2 4.34Å; Q254-L280 PolarHBondContact NE2-O 3.42Å |
| 255 | L | 97.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 80 Ų | 80 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.3 | -68 | 172.3 | 0 | 0 | 0 | 112.1 | F250 N251 S252 W253 E257 L258 E259 | F250-L255 HydrophobicContact CB-CD1 4.42Å; F250-L255 HydrophobicContact CB-CD2 3.66Å; F250-L255 HydrophobicContact CB-CG 3.78Å; F250-L255 HydrophobicContact CD2-CD2 4.23Å; F250-L255 HydrophobicContact CG-CD2 4.08Å; N251-L255 WeakPolarHBondContact O-CG 3.45Å; N251-L255 PolarHBondContact O-N 2.88Å; S252-L255 WeakPolarHBondContact O-CB 3.48Å; S252-L255 PolarHBondContact O-N 2.99Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.46Å; L255-E257 VanDerWaalsContact C-N 3.3Å; L255-E257 PolarHBondContact O-N 2.69Å; L255-L258 PolarHBondContact O-N 2.71Å; L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 PolarHBondContact O-N 3.33Å |
| 256 | E | 97.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.9 | -72.8 | 164.4 | -142.6 | 0 | 0 | 111.3 | S252 W253 E259 R260 | S252-E256 WeakPolarHBondContact O-CG 3.36Å; S252-E256 PolarHBondContact O-N 2.86Å; S252-E256 PolarHBondContact OG-OE1 2.8Å; W253-E256 PolarHBondContact O-N 2.94Å; E256-E259 PolarHBondContact O-N 3.3Å; E256-R260 WeakPolarHBondContact O-CB 3.43Å; E256-R260 PolarHBondContact O-N 3.48Å |
| 257 | E | 97.3 | Very high | 96 | Very high | 11 Ų | 11 | 79.4 Ų | 79.4 | 5% | 0.051 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 179.5 | -161.9 | 63.5 | -128.6 | 0 | 0 | 112.9 | W253 Q254 L255 E259 R260 A261 R279 L280 | W253-E257 WeakPolarHBondContact O-CB 3.32Å; W253-E257 PolarHBondContact O-N 3.17Å; Q254-E257 PolarHBondContact O-N 2.86Å; L255-E257 VanDerWaalsContact C-N 3.3Å; L255-E257 PolarHBondContact O-N 2.69Å; E257-E259 VanDerWaalsContact C-N 3.29Å; E257-E259 PolarHBondContact O-N 2.94Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-CZ 3.24Å; E257-R260 IonicContact OE1-NH1 2.89Å; E257-R260 PolarHBondContact OE1-NH1 2.87Å; E257-R260 IonicContact OE2-CZ 3.64Å; E257-R260 IonicContact OE2-NH1 3.9Å; E257-R260 PolarHBondContact OE2-NH1 3.06Å; E257-R260 IonicContact OE2-NH2 3.82Å; E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 2.86Å; E257-R279 IonicContact OE1-CZ 2.64Å; E257-R279 IonicContact OE1-NH1 3.45Å; E257-R279 PolarHBondContact OE1-NH1 3.42Å; E257-R279 IonicContact OE1-NH2 2.8Å; E257-R279 PolarHBondContact OE1-NH2 2.95Å; E257-R279 IonicContact OE2-CZ 3.99Å; E257-R279 IonicContact OE2-NH1 3.1Å; E257-R279 PolarHBondContact OE2-NH1 3.11Å; E257-R279 IonicContact OE2-NH2 3.23Å; E257-L280 HydrophobicContact CB-CD1 4.38Å; E257-L280 HydrophobicContact CB-CD2 3.74Å; E257-L280 HydrophobicContact CG-CD2 3.89Å |
| 258 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 173 | -74 | 166.4 | 0 | 0 | 0 | 111.2 | F250 Q254 L255 A261 F262 L280 V287 W290 F291 | F250-L258 HydrophobicContact CD1-CD1 4.16Å; F250-L258 HydrophobicContact CE1-CD1 4.3Å; Q254-L258 WeakPolarHBondContact O-CB 3.05Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 3.33Å; Q254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 2.71Å; L258-A261 PolarHBondContact O-N 2.94Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.38Å; L258-L280 HydrophobicContact CD1-CD1 4.26Å; L258-L280 HydrophobicContact CD2-CD1 3.76Å; L258-L280 HydrophobicContact CG-CD1 3.6Å; L258-V287 HydrophobicContact CD2-CG1 4.01Å; L258-V287 HydrophobicContact CD2-CG2 4.45Å; L258-W290 VanDerWaalsContact C-CH2 3.49Å; L258-W290 HydrophobicContact CB-CD2 3.94Å; L258-W290 HydrophobicContact CB-CE3 3.91Å; L258-W290 HydrophobicContact CB-CH2 3.62Å; L258-W290 HydrophobicContact CB-CZ2 3.6Å; L258-W290 HydrophobicContact CB-CZ3 3.77Å; L258-W290 HydrophobicContact CD1-CD2 3.87Å; L258-W290 HydrophobicContact CD1-CE3 4.48Å; L258-W290 HydrophobicContact CD1-CG 3.86Å; L258-W290 HydrophobicContact CD2-CD2 4.33Å; L258-W290 HydrophobicContact CD2-CE3 4.17Å; L258-W290 HydrophobicContact CG-CD2 4.27Å; L258-W290 HydrophobicContact CG-CE3 4.41Å; L258-W290 WeakPolarHBondContact O-CH2 3.22Å; L258-W290 WeakPolarHBondContact O-CZ3 3.21Å; L258-F291 HydrophobicContact CD2-CE2 4.03Å |
| 259 | E | 97.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.6 | -36.6 | 176.9 | -163.9 | 66.7 | -150.5 | 0 | 0 | 112.3 | L255 E256 E257 F262 S263 R294 | L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 PolarHBondContact O-N 3.33Å; E256-E259 PolarHBondContact O-N 3.3Å; E257-E259 VanDerWaalsContact C-N 3.29Å; E257-E259 PolarHBondContact O-N 2.94Å; E259-F262 WeakPolarHBondContact O-CB 3.49Å; E259-F262 PolarHBondContact O-N 2.81Å; E259-S263 PolarHBondContact O-N 3.47Å; E259-S263 PolarHBondContact O-OG 2.95Å; E259-R294 IonicContact OE1-CZ 2.82Å; E259-R294 VanDerWaalsContact OE1-CZ 3.29Å; E259-R294 IonicContact OE1-NE 2.62Å; E259-R294 PolarHBondContact OE1-NE 3.03Å; E259-R294 VanDerWaalsContact OE1-NE 3.11Å; E259-R294 IonicContact OE1-NH2 3.69Å; E259-R294 PolarHBondContact OE1-NH2 3.47Å; E259-R294 IonicContact OE2-CZ 4Å; E259-R294 IonicContact OE2-NE 3.84Å; E259-R294 PolarHBondContact OE2-NE 2.92Å; E259-R294 IonicContact OE2-NH2 3.72Å |
| 260 | R | 97 | Very high | 96.9 | Very high | 145 Ų | 145 | 68.4 Ų | 68.4 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 172.3 | -170.2 | -175.7 | -60.1 | 138.8 | 4.6 | 111 | E256 E257 F262 S263 A264 | E256-R260 WeakPolarHBondContact O-CB 3.43Å; E256-R260 PolarHBondContact O-N 3.48Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-CZ 3.24Å; E257-R260 IonicContact OE1-NH1 2.89Å; E257-R260 PolarHBondContact OE1-NH1 2.87Å; E257-R260 IonicContact OE2-CZ 3.64Å; E257-R260 IonicContact OE2-NH1 3.9Å; E257-R260 PolarHBondContact OE2-NH1 3.06Å; E257-R260 IonicContact OE2-NH2 3.82Å; R260-F262 VanDerWaalsContact C-N 3.34Å; R260-F262 PolarHBondContact O-N 3.49Å; R260-S263 WeakPolarHBondContact O-CB 3.33Å; R260-S263 PolarHBondContact O-N 2.94Å; R260-A264 PolarHBondContact O-N 2.89Å |
| 261 | A | 97.1 | Very high | 97 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E257 L258 S263 A264 S265 L276 F291 | E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 2.86Å; L258-A261 PolarHBondContact O-N 2.94Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 2.83Å; A261-A264 VanDerWaalsContact O-N 3.16Å; A261-S265 PolarHBondContact O-N 3.29Å; A261-L276 HydrophobicContact CB-CD1 3.6Å; A261-L276 HydrophobicContact CB-CD2 3.92Å; A261-L276 HydrophobicContact CB-CG 4.4Å; A261-F291 HydrophobicContact CB-CZ 4.05Å |
| 262 | F | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 174.9 | -171 | -99.3 | 0 | 0 | 0 | 112.5 | L258 E259 R260 A264 S265 H266 W290 F291 R294 R295 V298 | L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.38Å; E259-F262 WeakPolarHBondContact O-CB 3.49Å; E259-F262 PolarHBondContact O-N 2.81Å; R260-F262 VanDerWaalsContact C-N 3.34Å; R260-F262 PolarHBondContact O-N 3.49Å; F262-A264 VanDerWaalsContact C-N 3.3Å; F262-A264 PolarHBondContact O-N 3Å; F262-S265 CarbonylContact O-C 3.59Å; F262-H266 AromaticContact CD1-CD2 3.54Å; F262-H266 AromaticContact CD1-NE2 3.91Å; F262-H266 AromaticContact CD2-CD2 3.97Å; F262-H266 AromaticContact CE1-CD2 3.16Å; F262-H266 WeakPolarHBondContact CE1-CD2 3.48Å; F262-H266 AromaticContact CE1-NE2 3.46Å; F262-H266 WeakPolarHBondContact CE1-NE2 3.4Å; F262-H266 HydrophobicContact CE2-CB 4.24Å; F262-H266 AromaticContact CE2-CD2 3.63Å; F262-H266 AromaticContact CG-CD2 3.92Å; F262-H266 HydrophobicContact CZ-CB 4.42Å; F262-H266 AromaticContact CZ-CD2 3.2Å; F262-H266 WeakPolarHBondContact CZ-CD2 3.37Å; F262-H266 AromaticContact CZ-NE2 3.88Å; F262-H266 PolarHBondContact O-CD2 3.35Å; F262-W290 HydrophobicContact CB-CH2 4.14Å; F262-W290 HydrophobicContact CB-CZ3 4.05Å; F262-W290 HydrophobicContact CD2-CZ3 4.17Å; F262-W290 HydrophobicContact CG-CZ3 4.37Å; F262-F291 HydrophobicContact CB-CE1 4.11Å; F262-F291 AromaticContact CD2-CD1 3.74Å; F262-F291 HydrophobicContact CD2-CD1 3.74Å; F262-F291 AromaticContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CE2-CD1 4.42Å; F262-F291 HydrophobicContact CG-CE1 4.48Å; F262-R294 HydrophobicContact CD1-CG 3.9Å; F262-R294 HydrophobicContact CD2-CB 4.05Å; F262-R294 HydrophobicContact CD2-CG 3.56Å; F262-R294 HydrophobicContact CE1-CG 3.75Å; F262-R294 HydrophobicContact CE2-CB 3.78Å; F262-R294 HydrophobicContact CE2-CG 3.41Å; F262-R294 VanDerWaalsContact CE2-CG 3.41Å; F262-R294 HydrophobicContact CG-CG 3.81Å; F262-R294 HydrophobicContact CZ-CB 4.24Å; F262-R294 HydrophobicContact CZ-CG 3.52Å; F262-R295 HydrophobicContact CE2-CG 3.92Å; F262-R295 HydrophobicContact CZ-CG 4.36Å; F262-V298 HydrophobicContact CE1-CG2 3.9Å; F262-V298 HydrophobicContact CZ-CG2 3.82Å |
| 263 | S | 96.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.3 | -30.1 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | E259 R260 A261 | E259-S263 PolarHBondContact O-N 3.47Å; E259-S263 PolarHBondContact O-OG 2.95Å; R260-S263 WeakPolarHBondContact O-CB 3.33Å; R260-S263 PolarHBondContact O-N 2.94Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.47Å |
| 264 | A | 95.7 | Very high | 97.1 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.8 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R260 A261 F262 | R260-A264 PolarHBondContact O-N 2.89Å; A261-A264 PolarHBondContact O-N 2.83Å; A261-A264 VanDerWaalsContact O-N 3.16Å; F262-A264 VanDerWaalsContact C-N 3.3Å; F262-A264 PolarHBondContact O-N 3Å |
| 265 | S | 96 | Very high | 97.1 | Very high | 36 Ų | 36 | 71.1 Ų | 71.1 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | trans | -149.8 | 125 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 112 | A261 F262 Y267 F291 | A261-S265 PolarHBondContact O-N 3.29Å; F262-S265 CarbonylContact O-C 3.59Å; S265-Y267 PolarHBondContact O-N 3.09Å; S265-Y267 VanDerWaalsContact OG-C 3.23Å; S265-Y267 PolarHBondContact OG-N 2.88Å; S265-Y267 PolarHBondContact OG-O 3.48Å; S265-F291 WeakPolarHBondContact O-CE1 3.29Å | ||
| 266 | H | 96.5 | Very high | 97.1 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -71.6 | -17.9 | 172.6 | -59.9 | 133.6 | 0 | 0 | 0 | 113.4 | F262 R295 | F262-H266 AromaticContact CD1-CD2 3.54Å; F262-H266 AromaticContact CD1-NE2 3.91Å; F262-H266 AromaticContact CD2-CD2 3.97Å; F262-H266 AromaticContact CE1-CD2 3.16Å; F262-H266 WeakPolarHBondContact CE1-CD2 3.48Å; F262-H266 AromaticContact CE1-NE2 3.46Å; F262-H266 WeakPolarHBondContact CE1-NE2 3.4Å; F262-H266 HydrophobicContact CE2-CB 4.24Å; F262-H266 AromaticContact CE2-CD2 3.63Å; F262-H266 AromaticContact CG-CD2 3.92Å; F262-H266 HydrophobicContact CZ-CB 4.42Å; F262-H266 AromaticContact CZ-CD2 3.2Å; F262-H266 WeakPolarHBondContact CZ-CD2 3.37Å; F262-H266 AromaticContact CZ-NE2 3.88Å; F262-H266 PolarHBondContact O-CD2 3.35Å; H266-R295 WeakPolarHBondContact O-CD 3.43Å; H266-R295 PolarHBondContact O-NH1 3.27Å |
| 267 | Y | 97.7 | Very high | 97.1 | Very high | 170 Ų | 170 | 63.6 Ų | 63.6 | 67% | 0.667 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -128.9 | 72.2 | -177.4 | -65 | -90.4 | 0 | 0 | 0 | 109.1 | S265 R295 | S265-Y267 PolarHBondContact O-N 3.09Å; S265-Y267 VanDerWaalsContact OG-C 3.23Å; S265-Y267 PolarHBondContact OG-N 2.88Å; S265-Y267 PolarHBondContact OG-O 3.48Å; Y267-R295 VanDerWaalsContact CZ-CD 3.49Å |
| 268 | P | 96.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 5% | 0.045 | 36% | 0.363 | C | S | . | . | trans | -66.6 | 138.1 | 178.8 | 29.4 | -36.9 | 0 | 0 | 0 | 110.4 | M272 R273 F291 | P268-M272 HydrophobicContact CB-CB 3.95Å; P268-M272 HydrophobicContact CB-CE 4.38Å; P268-M272 HydrophobicContact CB-SD 4.39Å; P268-R273 HydrophobicContact CB-CG 3.97Å; P268-R273 HydrophobicContact CG-CG 3.72Å; P268-R273 PolarHBondContact O-NH1 2.9Å; P268-F291 HydrophobicContact CB-CE1 4.43Å; P268-F291 HydrophobicContact CB-CZ 4.45Å; P268-F291 VanDerWaalsContact CD-CD1 3.41Å; P268-F291 HydrophobicContact CG-CD1 3.61Å; P268-F291 HydrophobicContact CG-CD2 4.01Å; P268-F291 HydrophobicContact CG-CE1 3.55Å; P268-F291 HydrophobicContact CG-CE2 3.97Å; P268-F291 HydrophobicContact CG-CG 3.85Å; P268-F291 HydrophobicContact CG-CZ 3.75Å | ||
| 269 | D | 97.2 | Very high | 97 | Very high | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | trans | -67.4 | 167.3 | 174.9 | -170.8 | 24 | 0 | 0 | 0 | 112.1 | F271 M272 R273 | D269-F271 VanDerWaalsContact C-N 3.34Å; D269-F271 PolarHBondContact O-N 3.45Å; D269-M272 HydrophobicContact CB-CG 4.37Å; D269-M272 HydrophobicContact CB-SD 4.43Å; D269-M272 WeakPolarHBondContact O-CB 3.29Å; D269-M272 PolarHBondContact O-N 3.23Å; D269-M272 VanDerWaalsContact O-N 3.16Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.92Å | ||
| 270 | I | 96.5 | Very high | 97 | Very high | 58 Ų | 58 | 73.1 Ų | 73.1 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -52.6 | -49.8 | 178.6 | -174.5 | 60 | 0 | 0 | 0 | 111.5 | M272 R273 E274 E284 | I270-M272 VanDerWaalsContact C-N 3.32Å; I270-M272 PolarHBondContact O-N 3.34Å; I270-R273 PolarHBondContact O-N 2.93Å; I270-R273 VanDerWaalsContact O-N 3.1Å; I270-E274 HydrophobicContact CD1-CG 4.39Å; I270-E274 WeakPolarHBondContact O-CG 3.38Å; I270-E274 PolarHBondContact O-N 3.02Å; I270-E284 HydrophobicContact CD1-CG 4.28Å |
| 271 | F | 96.9 | Very high | 97 | Very high | 148 Ų | 148 | 73.3 Ų | 73.3 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 179.3 | -61.5 | -66.7 | 0 | 0 | 0 | 112.5 | D269 E274 A275 | D269-F271 VanDerWaalsContact C-N 3.34Å; D269-F271 PolarHBondContact O-N 3.45Å; F271-E274 PolarHBondContact O-N 3.32Å; F271-A275 WeakPolarHBondContact O-CB 3.3Å; F271-A275 PolarHBondContact O-N 2.75Å |
| 272 | M | 96.3 | Very high | 96.9 | Very high | 89 Ų | 89 | 73.9 Ų | 73.9 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.4 | -65.5 | 179 | 69.6 | 0 | 0 | 111.4 | P268 D269 I270 L276 | P268-M272 HydrophobicContact CB-CB 3.95Å; P268-M272 HydrophobicContact CB-CE 4.38Å; P268-M272 HydrophobicContact CB-SD 4.39Å; D269-M272 HydrophobicContact CB-CG 4.37Å; D269-M272 HydrophobicContact CB-SD 4.43Å; D269-M272 WeakPolarHBondContact O-CB 3.29Å; D269-M272 PolarHBondContact O-N 3.23Å; D269-M272 VanDerWaalsContact O-N 3.16Å; I270-M272 VanDerWaalsContact C-N 3.32Å; I270-M272 PolarHBondContact O-N 3.34Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 3.46Å |
| 273 | R | 97.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 80.9 Ų | 80.9 | 22% | 0.219 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 177.8 | -68.9 | -166.5 | -55.3 | -88.1 | 1.5 | 111.6 | P268 D269 I270 L276 A277 E284 V287 | P268-R273 HydrophobicContact CB-CG 3.97Å; P268-R273 HydrophobicContact CG-CG 3.72Å; P268-R273 PolarHBondContact O-NH1 2.9Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.92Å; I270-R273 PolarHBondContact O-N 2.93Å; I270-R273 VanDerWaalsContact O-N 3.1Å; R273-L276 PolarHBondContact O-N 2.97Å; R273-A277 WeakPolarHBondContact O-CB 3.44Å; R273-A277 PolarHBondContact O-N 3.13Å; R273-E284 HydrophobicContact CB-CG 4.1Å; R273-E284 IonicContact CZ-OE1 3.17Å; R273-E284 IonicContact NE-OE1 3Å; R273-E284 PolarHBondContact NE-OE1 3.38Å; R273-E284 IonicContact NH2-OE1 2.81Å; R273-E284 PolarHBondContact NH2-OE1 2.87Å; R273-V287 HydrophobicContact CB-CG1 4.38Å; R273-V287 HydrophobicContact CG-CG1 4.33Å |
| 274 | E | 98.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 79.2 Ų | 79.2 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 175.8 | -71.9 | 178.2 | 159.8 | 0 | 0 | 111.7 | I270 F271 L276 A277 M278 E284 | I270-E274 HydrophobicContact CD1-CG 4.39Å; I270-E274 WeakPolarHBondContact O-CG 3.38Å; I270-E274 PolarHBondContact O-N 3.02Å; F271-E274 PolarHBondContact O-N 3.32Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.31Å; E274-A277 WeakPolarHBondContact O-CB 3.42Å; E274-A277 PolarHBondContact O-N 3.49Å; E274-A277 VanDerWaalsContact O-N 3.13Å; E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.07Å; E274-E284 HydrophobicContact CG-CG 4.12Å |
| 275 | A | 97.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F271 R279 | F271-A275 WeakPolarHBondContact O-CB 3.3Å; F271-A275 PolarHBondContact O-N 2.75Å; A275-R279 WeakPolarHBondContact O-CB 3.42Å; A275-R279 PolarHBondContact O-N 2.94Å |
| 276 | L | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 173.3 | -71.9 | 172.8 | 0 | 0 | 0 | 112.1 | A261 M272 R273 E274 R279 L280 V287 F291 | A261-L276 HydrophobicContact CB-CD1 3.6Å; A261-L276 HydrophobicContact CB-CD2 3.92Å; A261-L276 HydrophobicContact CB-CG 4.4Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 3.46Å; R273-L276 PolarHBondContact O-N 2.97Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.31Å; L276-R279 PolarHBondContact O-N 3.15Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.81Å; L276-V287 HydrophobicContact CB-CG1 4.35Å; L276-V287 HydrophobicContact CD1-CG1 4.41Å; L276-F291 HydrophobicContact CD1-CE2 4.03Å; L276-F291 HydrophobicContact CD1-CZ 4.12Å |
| 277 | A | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R273 E274 L280 D281 L282 E284 V287 | R273-A277 WeakPolarHBondContact O-CB 3.44Å; R273-A277 PolarHBondContact O-N 3.13Å; E274-A277 WeakPolarHBondContact O-CB 3.42Å; E274-A277 PolarHBondContact O-N 3.49Å; E274-A277 VanDerWaalsContact O-N 3.13Å; A277-L280 PolarHBondContact O-N 3.49Å; A277-D281 PolarHBondContact O-N 3.42Å; A277-D281 VanDerWaalsContact O-N 3.12Å; A277-L282 CarbonylContact C-O 3.59Å; A277-L282 WeakPolarHBondContact CB-O 3.4Å; A277-L282 PolarHBondContact O-N 3.4Å; A277-L282 VanDerWaalsContact O-O 3.12Å; A277-E284 HydrophobicContact CB-CB 4.34Å; A277-V287 HydrophobicContact CB-CG2 4.01Å |
| 278 | M | 97.5 | Very high | 96.9 | Very high | 152 Ų | 152 | 67.6 Ų | 67.6 | 75% | 0.749 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.2 | -47.8 | 174.5 | -69.5 | -179.5 | 71.4 | 0 | 0 | 111.7 | E274 L280 D281 | E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.07Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 3Å; M278-D281 PolarHBondContact O-N 3.08Å |
| 279 | R | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 70.6 Ų | 70.6 | 45% | 0.445 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | -178.9 | -174.8 | 166.8 | 62.1 | 137.3 | -4.8 | 112.8 | W253 E257 A275 L276 | W253-R279 VanDerWaalsContact CH2-O 3.29Å; W253-R279 WeakPolarHBondContact CH2-O 3.37Å; E257-R279 IonicContact OE1-CZ 2.64Å; E257-R279 IonicContact OE1-NH1 3.45Å; E257-R279 PolarHBondContact OE1-NH1 3.42Å; E257-R279 IonicContact OE1-NH2 2.8Å; E257-R279 PolarHBondContact OE1-NH2 2.95Å; E257-R279 IonicContact OE2-CZ 3.99Å; E257-R279 IonicContact OE2-NH1 3.1Å; E257-R279 PolarHBondContact OE2-NH1 3.11Å; E257-R279 IonicContact OE2-NH2 3.23Å; A275-R279 WeakPolarHBondContact O-CB 3.42Å; A275-R279 PolarHBondContact O-N 2.94Å; L276-R279 PolarHBondContact O-N 3.15Å |
| 280 | L | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.2 | -174.8 | -62.4 | -177.4 | 0 | 0 | 0 | 114.3 | W253 Q254 E257 L258 L276 A277 M278 L282 | W253-L280 HydrophobicContact CE3-CD2 4.08Å; W253-L280 HydrophobicContact CH2-CD2 3.5Å; W253-L280 VanDerWaalsContact CH2-CD2 3.5Å; W253-L280 HydrophobicContact CZ2-CD2 4.04Å; W253-L280 HydrophobicContact CZ3-CD2 3.5Å; W253-L280 VanDerWaalsContact CZ3-CD2 3.5Å; Q254-L280 HydrophobicContact CB-CD2 4.48Å; Q254-L280 HydrophobicContact CG-CB 4.35Å; Q254-L280 HydrophobicContact CG-CD2 4.34Å; Q254-L280 PolarHBondContact NE2-O 3.42Å; E257-L280 HydrophobicContact CB-CD1 4.38Å; E257-L280 HydrophobicContact CB-CD2 3.74Å; E257-L280 HydrophobicContact CG-CD2 3.89Å; L258-L280 HydrophobicContact CD1-CD1 4.26Å; L258-L280 HydrophobicContact CD2-CD1 3.76Å; L258-L280 HydrophobicContact CG-CD1 3.6Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.81Å; A277-L280 PolarHBondContact O-N 3.49Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 3Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 HydrophobicContact CB-CD1 3.8Å; L280-L282 HydrophobicContact CB-CG 4.04Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 PolarHBondContact O-N 3.5Å |
| 281 | D | 96.9 | Very high | 97 | Very high | 149 Ų | 149 | 64.9 Ų | 64.9 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 44.4 | -171.8 | -61.3 | -44.5 | 0 | 0 | 0 | 112.8 | A277 M278 | A277-D281 PolarHBondContact O-N 3.42Å; A277-D281 VanDerWaalsContact O-N 3.12Å; M278-D281 PolarHBondContact O-N 3.08Å |
| 282 | L | 95.2 | Very high | 97 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | trans | -120.5 | 156.8 | 178.6 | -65.1 | 170.8 | 0 | 0 | 0 | 110.4 | T248 F250 A277 L280 V287 | T248-L282 HydrophobicContact CG2-CD2 4.09Å; F250-L282 HydrophobicContact CD1-CD1 3.78Å; F250-L282 HydrophobicContact CD1-CD2 4.18Å; F250-L282 HydrophobicContact CE1-CD1 3.71Å; F250-L282 HydrophobicContact CE1-CD2 4.16Å; A277-L282 CarbonylContact C-O 3.59Å; A277-L282 WeakPolarHBondContact CB-O 3.4Å; A277-L282 PolarHBondContact O-N 3.4Å; A277-L282 VanDerWaalsContact O-O 3.12Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 HydrophobicContact CB-CD1 3.8Å; L280-L282 HydrophobicContact CB-CG 4.04Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 PolarHBondContact O-N 3.5Å; L282-V287 HydrophobicContact CB-CG2 4.35Å; L282-V287 HydrophobicContact CD1-CG2 4.49Å | ||
| 283 | K | 96.1 | Very high | 97.1 | Very high | 155 Ų | 155 | 63.8 Ų | 63.8 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | trans | -72.8 | 142.5 | 166.5 | -69.3 | -176.2 | 155.7 | 78.5 | 0 | 109.8 | S285 R286 V287 | K283-S285 PolarHBondContact O-N 3.42Å; K283-S285 VanDerWaalsContact O-N 3.15Å; K283-R286 HydrophobicContact CB-CG 4.19Å; K283-R286 WeakPolarHBondContact O-CA 3.42Å; K283-R286 WeakPolarHBondContact O-CB 3.38Å; K283-R286 PolarHBondContact O-N 3.34Å; K283-V287 PolarHBondContact O-N 3.45Å | ||
| 284 | E | 97.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -47.7 | -44.8 | 175.2 | -176.7 | -81.3 | 168.8 | 0 | 0 | 111.4 | I270 R273 E274 A277 R286 V287 A288 | I270-E284 HydrophobicContact CD1-CG 4.28Å; R273-E284 HydrophobicContact CB-CG 4.1Å; R273-E284 IonicContact CZ-OE1 3.17Å; R273-E284 IonicContact NE-OE1 3Å; R273-E284 PolarHBondContact NE-OE1 3.38Å; R273-E284 IonicContact NH2-OE1 2.81Å; R273-E284 PolarHBondContact NH2-OE1 2.87Å; E274-E284 HydrophobicContact CG-CG 4.12Å; A277-E284 HydrophobicContact CB-CB 4.34Å; E284-R286 PolarHBondContact O-N 2.94Å; E284-R286 VanDerWaalsContact O-N 3.1Å; E284-V287 CarbonylContact O-C 3.45Å; E284-V287 WeakPolarHBondContact O-CA 3.34Å; E284-V287 WeakPolarHBondContact O-CB 3.49Å; E284-V287 PolarHBondContact O-N 2.89Å; E284-A288 PolarHBondContact O-N 2.74Å |
| 285 | S | 95.9 | Very high | 97 | Very high | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.1 | -31.8 | 177.9 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | K283 V289 | K283-S285 PolarHBondContact O-N 3.42Å; K283-S285 VanDerWaalsContact O-N 3.15Å; S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.17Å; S285-V289 PolarHBondContact O-N 3.18Å |
| 286 | R | 96.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.5 | -36.8 | 177.3 | -56.9 | -55.1 | 171.6 | 136 | -7.2 | 111.6 | S246 T248 K283 E284 W290 | S246-R286 PolarHBondContact O-NH1 2.92Å; S246-R286 PolarHBondContact O-NH2 3.26Å; T248-R286 WeakPolarHBondContact OG1-CD 3.34Å; T248-R286 PolarHBondContact OG1-NE 3Å; T248-R286 PolarHBondContact OG1-NH1 2.92Å; K283-R286 HydrophobicContact CB-CG 4.19Å; K283-R286 WeakPolarHBondContact O-CA 3.42Å; K283-R286 WeakPolarHBondContact O-CB 3.38Å; K283-R286 PolarHBondContact O-N 3.34Å; E284-R286 PolarHBondContact O-N 2.94Å; E284-R286 VanDerWaalsContact O-N 3.1Å; R286-W290 VanDerWaalsContact O-CB 3.3Å; R286-W290 WeakPolarHBondContact O-CB 3.4Å; R286-W290 PolarHBondContact O-N 3.08Å |
| 287 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -48.7 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L258 R273 L276 A277 L282 K283 E284 V289 W290 F291 | L258-V287 HydrophobicContact CD2-CG1 4.01Å; L258-V287 HydrophobicContact CD2-CG2 4.45Å; R273-V287 HydrophobicContact CB-CG1 4.38Å; R273-V287 HydrophobicContact CG-CG1 4.33Å; L276-V287 HydrophobicContact CB-CG1 4.35Å; L276-V287 HydrophobicContact CD1-CG1 4.41Å; A277-V287 HydrophobicContact CB-CG2 4.01Å; L282-V287 HydrophobicContact CB-CG2 4.35Å; L282-V287 HydrophobicContact CD1-CG2 4.49Å; K283-V287 PolarHBondContact O-N 3.45Å; E284-V287 CarbonylContact O-C 3.45Å; E284-V287 WeakPolarHBondContact O-CA 3.34Å; E284-V287 WeakPolarHBondContact O-CB 3.49Å; E284-V287 PolarHBondContact O-N 2.89Å; V287-V289 PolarHBondContact O-N 2.93Å; V287-W290 WeakPolarHBondContact O-CB 3.24Å; V287-W290 PolarHBondContact O-N 2.96Å; V287-W290 VanDerWaalsContact O-N 3.09Å; V287-F291 HydrophobicContact CG1-CD2 3.7Å; V287-F291 HydrophobicContact CG1-CE2 3.66Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 3.38Å |
| 288 | A | 97 | Very high | 96.3 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E284 W290 F291 Q292 | E284-A288 PolarHBondContact O-N 2.74Å; A288-W290 VanDerWaalsContact C-N 3.35Å; A288-W290 PolarHBondContact O-N 2.82Å; A288-F291 PolarHBondContact O-N 3.03Å; A288-Q292 PolarHBondContact O-N 2.8Å |
| 289 | V | 96.9 | Very high | 96 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | S285 V287 Q292 N293 | S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.17Å; S285-V289 PolarHBondContact O-N 3.18Å; V287-V289 PolarHBondContact O-N 2.93Å; V289-Q292 PolarHBondContact O-N 3.26Å; V289-N293 WeakPolarHBondContact O-CB 3.23Å; V289-N293 PolarHBondContact O-N 3.25Å; V289-N293 PolarHBondContact O-ND2 2.91Å |
| 290 | W | 97.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.7 | -174.8 | 100.7 | 0 | 0 | 0 | 111.3 | F250 L258 F262 R286 V287 A288 Q292 N293 R294 | F250-W290 AromaticContact CE2-CD1 3.72Å; F250-W290 HydrophobicContact CZ-CB 4.16Å; F250-W290 AromaticContact CZ-CD1 3.88Å; F250-W290 HydrophobicContact CZ-CG 4.4Å; L258-W290 VanDerWaalsContact C-CH2 3.49Å; L258-W290 HydrophobicContact CB-CD2 3.94Å; L258-W290 HydrophobicContact CB-CE3 3.91Å; L258-W290 HydrophobicContact CB-CH2 3.62Å; L258-W290 HydrophobicContact CB-CZ2 3.6Å; L258-W290 HydrophobicContact CB-CZ3 3.77Å; L258-W290 HydrophobicContact CD1-CD2 3.87Å; L258-W290 HydrophobicContact CD1-CE3 4.48Å; L258-W290 HydrophobicContact CD1-CG 3.86Å; L258-W290 HydrophobicContact CD2-CD2 4.33Å; L258-W290 HydrophobicContact CD2-CE3 4.17Å; L258-W290 HydrophobicContact CG-CD2 4.27Å; L258-W290 HydrophobicContact CG-CE3 4.41Å; L258-W290 WeakPolarHBondContact O-CH2 3.22Å; L258-W290 WeakPolarHBondContact O-CZ3 3.21Å; F262-W290 HydrophobicContact CB-CH2 4.14Å; F262-W290 HydrophobicContact CB-CZ3 4.05Å; F262-W290 HydrophobicContact CD2-CZ3 4.17Å; F262-W290 HydrophobicContact CG-CZ3 4.37Å; R286-W290 VanDerWaalsContact O-CB 3.3Å; R286-W290 WeakPolarHBondContact O-CB 3.4Å; R286-W290 PolarHBondContact O-N 3.08Å; V287-W290 WeakPolarHBondContact O-CB 3.24Å; V287-W290 PolarHBondContact O-N 2.96Å; V287-W290 VanDerWaalsContact O-N 3.09Å; A288-W290 VanDerWaalsContact C-N 3.35Å; A288-W290 PolarHBondContact O-N 2.82Å; W290-Q292 VanDerWaalsContact C-N 3.34Å; W290-Q292 PolarHBondContact O-N 3.46Å; W290-N293 PolarHBondContact O-N 3.02Å; W290-R294 HydrophobicContact CE3-CB 4.18Å; W290-R294 HydrophobicContact CH2-CB 4.14Å; W290-R294 HydrophobicContact CH2-CG 3.82Å; W290-R294 HydrophobicContact CZ2-CG 4.42Å; W290-R294 HydrophobicContact CZ3-CB 3.93Å; W290-R294 HydrophobicContact CZ3-CG 4Å; W290-R294 WeakPolarHBondContact O-CB 3.15Å; W290-R294 PolarHBondContact O-N 3.04Å |
| 291 | F | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.5 | -88.5 | -93 | 0 | 0 | 0 | 111.9 | L258 A261 F262 S265 P268 L276 V287 A288 R294 R295 | L258-F291 HydrophobicContact CD2-CE2 4.03Å; A261-F291 HydrophobicContact CB-CZ 4.05Å; F262-F291 HydrophobicContact CB-CE1 4.11Å; F262-F291 AromaticContact CD2-CD1 3.74Å; F262-F291 HydrophobicContact CD2-CD1 3.74Å; F262-F291 AromaticContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CE2-CD1 4.42Å; F262-F291 HydrophobicContact CG-CE1 4.48Å; S265-F291 WeakPolarHBondContact O-CE1 3.29Å; P268-F291 HydrophobicContact CB-CE1 4.43Å; P268-F291 HydrophobicContact CB-CZ 4.45Å; P268-F291 VanDerWaalsContact CD-CD1 3.41Å; P268-F291 HydrophobicContact CG-CD1 3.61Å; P268-F291 HydrophobicContact CG-CD2 4.01Å; P268-F291 HydrophobicContact CG-CE1 3.55Å; P268-F291 HydrophobicContact CG-CE2 3.97Å; P268-F291 HydrophobicContact CG-CG 3.85Å; P268-F291 HydrophobicContact CG-CZ 3.75Å; L276-F291 HydrophobicContact CD1-CE2 4.03Å; L276-F291 HydrophobicContact CD1-CZ 4.12Å; V287-F291 HydrophobicContact CG1-CD2 3.7Å; V287-F291 HydrophobicContact CG1-CE2 3.66Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 3.38Å; A288-F291 PolarHBondContact O-N 3.03Å; F291-R294 PolarHBondContact O-N 3.3Å; F291-R295 WeakPolarHBondContact O-CG 3.43Å; F291-R295 PolarHBondContact O-N 3.21Å |
| 292 | Q | 97 | Very high | 93.6 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 174.8 | -171.4 | -178.7 | 19.5 | 0 | 0 | 111.9 | A288 V289 W290 R294 R295 A296 | A288-Q292 PolarHBondContact O-N 2.8Å; V289-Q292 PolarHBondContact O-N 3.26Å; W290-Q292 VanDerWaalsContact C-N 3.34Å; W290-Q292 PolarHBondContact O-N 3.46Å; Q292-R294 VanDerWaalsContact C-N 3.34Å; Q292-R295 PolarHBondContact O-N 2.96Å; Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.41Å |
| 293 | N | 97.5 | Very high | 92.1 | Very high | 101 Ų | 101 | 75.9 Ų | 75.9 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 176.9 | -74.3 | -32.5 | 0 | 0 | 0 | 111.9 | V289 W290 A296 K297 | V289-N293 WeakPolarHBondContact O-CB 3.23Å; V289-N293 PolarHBondContact O-N 3.25Å; V289-N293 PolarHBondContact O-ND2 2.91Å; W290-N293 PolarHBondContact O-N 3.02Å; N293-A296 PolarHBondContact O-N 2.82Å; N293-K297 PolarHBondContact O-N 3.32Å |
| 294 | R | 97.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 72.2 Ų | 72.2 | 18% | 0.177 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 177.3 | -169.2 | 68.7 | -175.5 | 98.2 | -0.9 | 111.1 | E259 F262 W290 F291 Q292 A296 K297 V298 | E259-R294 IonicContact OE1-CZ 2.82Å; E259-R294 VanDerWaalsContact OE1-CZ 3.29Å; E259-R294 IonicContact OE1-NE 2.62Å; E259-R294 PolarHBondContact OE1-NE 3.03Å; E259-R294 VanDerWaalsContact OE1-NE 3.11Å; E259-R294 IonicContact OE1-NH2 3.69Å; E259-R294 PolarHBondContact OE1-NH2 3.47Å; E259-R294 IonicContact OE2-CZ 4Å; E259-R294 IonicContact OE2-NE 3.84Å; E259-R294 PolarHBondContact OE2-NE 2.92Å; E259-R294 IonicContact OE2-NH2 3.72Å; F262-R294 HydrophobicContact CD1-CG 3.9Å; F262-R294 HydrophobicContact CD2-CB 4.05Å; F262-R294 HydrophobicContact CD2-CG 3.56Å; F262-R294 HydrophobicContact CE1-CG 3.75Å; F262-R294 HydrophobicContact CE2-CB 3.78Å; F262-R294 HydrophobicContact CE2-CG 3.41Å; F262-R294 VanDerWaalsContact CE2-CG 3.41Å; F262-R294 HydrophobicContact CG-CG 3.81Å; F262-R294 HydrophobicContact CZ-CB 4.24Å; F262-R294 HydrophobicContact CZ-CG 3.52Å; W290-R294 HydrophobicContact CE3-CB 4.18Å; W290-R294 HydrophobicContact CH2-CB 4.14Å; W290-R294 HydrophobicContact CH2-CG 3.82Å; W290-R294 HydrophobicContact CZ2-CG 4.42Å; W290-R294 HydrophobicContact CZ3-CB 3.93Å; W290-R294 HydrophobicContact CZ3-CG 4Å; W290-R294 WeakPolarHBondContact O-CB 3.15Å; W290-R294 PolarHBondContact O-N 3.04Å; F291-R294 PolarHBondContact O-N 3.3Å; Q292-R294 VanDerWaalsContact C-N 3.34Å; R294-A296 VanDerWaalsContact C-N 3.35Å; R294-A296 PolarHBondContact O-N 2.92Å; R294-K297 WeakPolarHBondContact O-CB 3.39Å; R294-K297 PolarHBondContact O-N 3.48Å; R294-V298 WeakPolarHBondContact O-CG2 3.48Å; R294-V298 PolarHBondContact O-N 2.8Å |
| 295 | R | 96.9 | Very high | 88.5 | Confident | 60 Ų | 60 | 78 Ų | 78 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 172.7 | -71.1 | -164.7 | -60.7 | -87.4 | 0.8 | 112.5 | F262 H266 Y267 F291 Q292 K297 V298 R299 | F262-R295 HydrophobicContact CE2-CG 3.92Å; F262-R295 HydrophobicContact CZ-CG 4.36Å; H266-R295 WeakPolarHBondContact O-CD 3.43Å; H266-R295 PolarHBondContact O-NH1 3.27Å; Y267-R295 VanDerWaalsContact CZ-CD 3.49Å; F291-R295 WeakPolarHBondContact O-CG 3.43Å; F291-R295 PolarHBondContact O-N 3.21Å; Q292-R295 PolarHBondContact O-N 2.96Å; R295-K297 VanDerWaalsContact C-N 3.32Å; R295-K297 PolarHBondContact O-N 3.21Å; R295-V298 PolarHBondContact O-N 3.38Å; R295-R299 PolarHBondContact O-N 3.32Å |
| 296 | A | 94.2 | Very high | 86.5 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q292 N293 R294 K300 | Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.41Å; N293-A296 PolarHBondContact O-N 2.82Å; R294-A296 VanDerWaalsContact C-N 3.35Å; R294-A296 PolarHBondContact O-N 2.92Å; A296-K300 WeakPolarHBondContact O-CB 3.23Å; A296-K300 PolarHBondContact O-N 2.93Å |
| 297 | K | 92.8 | Very high | 84.4 | Confident | 113 Ų | 113 | 84.8 Ų | 84.8 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.5 | -169.3 | 176.8 | -179.2 | -178.9 | 0 | 112.2 | N293 R294 R295 R301 | N293-K297 PolarHBondContact O-N 3.32Å; R294-K297 WeakPolarHBondContact O-CB 3.39Å; R294-K297 PolarHBondContact O-N 3.48Å; R295-K297 VanDerWaalsContact C-N 3.32Å; R295-K297 PolarHBondContact O-N 3.21Å; K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 3.38Å |
| 298 | V | 90.8 | Very high | 82 | Confident | 35 Ų | 35 | 90.5 Ų | 90.5 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.8 | -53.4 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | F262 R294 R295 K300 R301 E302 | F262-V298 HydrophobicContact CE1-CG2 3.9Å; F262-V298 HydrophobicContact CZ-CG2 3.82Å; R294-V298 WeakPolarHBondContact O-CG2 3.48Å; R294-V298 PolarHBondContact O-N 2.8Å; R295-V298 PolarHBondContact O-N 3.38Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.89Å; V298-R301 WeakPolarHBondContact O-CB 3.17Å; V298-R301 PolarHBondContact O-N 3.38Å; V298-E302 PolarHBondContact O-N 3.29Å; V298-E302 VanDerWaalsContact O-N 3.14Å |
| 299 | R | 90.1 | Very high | 79.7 | Confident | 125 Ų | 125 | 92.5 Ų | 92.5 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -54.4 | -43.7 | 176 | -74 | -175.8 | -75.8 | 98.3 | -5.9 | 112.1 | R295 R301 E302 H303 | R295-R299 PolarHBondContact O-N 3.32Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.43Å; R299-E302 PolarHBondContact O-N 3.42Å; R299-H303 PolarHBondContact O-CD2 2.98Å; R299-H303 PolarHBondContact O-N 2.64Å |
| 300 | K | 82.3 | Confident | 77.6 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -29.5 | 178.1 | -170.2 | 170.8 | 179 | 175.9 | 0 | 113.5 | A296 V298 T304 A312 | A296-K300 WeakPolarHBondContact O-CB 3.23Å; A296-K300 PolarHBondContact O-N 2.93Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.89Å; K300-T304 WeakPolarHBondContact O-CG2 3.21Å; K300-T304 PolarHBondContact O-OG1 2.8Å; K300-A312 HydrophobicContact CD-CB 4.24Å; K300-A312 HydrophobicContact CG-CB 4.07Å |
| 301 | R | 80.5 | Confident | 75.5 | Confident | 146 Ų | 146 | 102.5 Ų | 102.5 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -79.8 | -26.7 | 176.5 | -73.8 | 176.5 | 175.3 | -153.3 | -3.6 | 113 | K297 V298 R299 T304 | K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 3.38Å; V298-R301 WeakPolarHBondContact O-CB 3.17Å; V298-R301 PolarHBondContact O-N 3.38Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.43Å; R301-T304 PolarHBondContact O-OG1 3.08Å |
| 302 | E | 77.3 | Confident | 73.4 | Confident | 120 Ų | 120 | 103.4 Ų | 103.4 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -81.7 | -42.5 | 178.2 | -70.1 | 173.9 | -175.5 | 0 | 0 | 112 | V298 R299 T304 K305 | V298-E302 PolarHBondContact O-N 3.29Å; V298-E302 VanDerWaalsContact O-N 3.14Å; R299-E302 PolarHBondContact O-N 3.42Å; E302-T304 PolarHBondContact O-N 3.12Å; E302-K305 PolarHBondContact O-N 3.35Å; E302-K305 VanDerWaalsContact O-N 3.08Å |
| 303 | H | 64.9 | Low | 71.2 | Confident | 137 Ų | 137 | 107 Ų | 107 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -67.8 | -16.1 | 178.5 | -68.2 | -63.2 | 0 | 0 | 0 | 114 | R299 K305 | R299-H303 PolarHBondContact O-CD2 2.98Å; R299-H303 PolarHBondContact O-N 2.64Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 3.46Å |
| 304 | T | 59 | Low | 69.3 | Low | 78 Ų | 78 | 109.4 Ų | 109.4 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -78.2 | -4.9 | 172.5 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | K300 R301 E302 A312 | K300-T304 WeakPolarHBondContact O-CG2 3.21Å; K300-T304 PolarHBondContact O-OG1 2.8Å; R301-T304 PolarHBondContact O-OG1 3.08Å; E302-T304 PolarHBondContact O-N 3.12Å; T304-A312 HydrophobicContact CG2-CB 4.24Å |
| 305 | K | 59.1 | Low | 67.3 | Low | 178 Ų | 178 | 109.5 Ų | 109.5 | 77% | 0.774 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -103.5 | -10.3 | -178.7 | -64.1 | -175.1 | 178.5 | -176.4 | 0 | 114.3 | E302 H303 | E302-K305 PolarHBondContact O-N 3.35Å; E302-K305 VanDerWaalsContact O-N 3.08Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 3.46Å |
| 306 | K | 53 | Low | 65.4 | Low | 191 Ų | 191 | 114 Ų | 114 | 83% | 0.83 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -133 | 92.8 | -175.3 | -65.4 | -175.7 | 178.9 | -177.1 | 0 | 109.7 | ||
| 307 | G | 51.4 | Low | 63.6 | Low | 62 Ų | 62 | 114.7 Ų | 114.7 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | trans | 110.7 | 130.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 308 | P | 48.5 | Very low | 61.7 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 79% | 0.786 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -73.6 | 129.7 | 170.7 | 31.7 | -29.7 | 0 | 0 | 0 | 108.3 | ||
| 309 | G | 47.3 | Very low | 60 | Low | 72 Ų | 72 | 114 Ų | 114 | 74% | 0.742 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 166.6 | -18.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 310 | R | 53.5 | Low | 58.3 | Low | 226 Ų | 226 | 114.7 Ų | 114.7 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | trans | -163 | 104.5 | 168.9 | -120.4 | 170.1 | -173.7 | -82.2 | 1.3 | 112.9 | A312 | R310-A312 PolarHBondContact O-N 2.99Š| ||
| 311 | P | 52.9 | Low | 57 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | trans | -59.3 | 114 | 167.7 | -23.5 | 34.2 | 0 | 0 | 0 | 110 | H313 | P311-H313 PolarHBondContact O-N 3.48Š| ||
| 312 | A | 54.9 | Low | 56.2 | Low | 21 Ų | 21 | 108.1 Ų | 108.1 | 17% | 0.174 | 60% | 0.604 | C | S | . | * | trans | -47 | 122.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K300 T304 R310 N314 A315 | K300-A312 HydrophobicContact CD-CB 4.24Å; K300-A312 HydrophobicContact CG-CB 4.07Å; T304-A312 HydrophobicContact CG2-CB 4.24Å; R310-A312 PolarHBondContact O-N 2.99Å; A312-N314 PolarHBondContact O-N 3.01Å; A312-A315 PolarHBondContact O-N 3.08Å; A312-A315 VanDerWaalsContact O-N 3.12Å | ||
| 313 | H | 51.6 | Low | 55.6 | Low | 190 Ų | 190 | 108.7 Ų | 108.7 | 88% | 0.88 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 16.2 | 179.8 | -179.6 | -82.6 | 0 | 0 | 0 | 116.1 | P311 | P311-H313 PolarHBondContact O-N 3.48Š|
| 314 | N | 56.3 | Low | 55.8 | Low | 151 Ų | 151 | 107.5 Ų | 107.5 | 81% | 0.807 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | 12.7 | 179.6 | -149.8 | 10.7 | 0 | 0 | 0 | 114 | A312 | A312-N314 PolarHBondContact O-N 3.01Š|
| 315 | A | 56.5 | Low | 56.3 | Low | 49 Ų | 49 | 105.1 Ų | 105.1 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -98.1 | 150.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A312 | A312-A315 PolarHBondContact O-N 3.08Å; A312-A315 VanDerWaalsContact O-N 3.12Å |
| 316 | Q | 56.1 | Low | 57.1 | Low | 156 Ų | 156 | 99.4 Ų | 99.4 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | trans | -33.2 | 141.1 | 174 | -76.5 | -88.8 | 8.6 | 0 | 0 | 112 | Q318 | Q316-Q318 PolarHBondContact O-N 3.43Š| ||
| 317 | P | 56.4 | Low | 58.2 | Low | 50 Ų | 50 | 95.1 Ų | 95.1 | 33% | 0.325 | 57% | 0.567 | S | S | . | * | trans | -63.2 | 104 | -178.6 | 32.6 | -36.1 | 0 | 0 | 0 | 108 | I325 L330 | P317-I325 HydrophobicContact CB-CD1 3.52Å; P317-I325 HydrophobicContact CG-CD1 4.03Å; P317-I325 WeakPolarHBondContact O-CD1 3.1Å; P317-I325 VanDerWaalsContact O-CG1 3.22Å; P317-I325 WeakPolarHBondContact O-CG1 3.28Å; P317-L330 HydrophobicContact CG-CD1 3.75Å | ||
| 318 | Q | 54.5 | Low | 59.5 | Low | 100 Ų | 100 | 97.6 Ų | 97.6 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | B | Isolated β-bridge | trans | -97.7 | 140.9 | 170.6 | -76.6 | 178 | -63.5 | 0 | 0 | 107.6 | Q316 G322 | Q316-Q318 PolarHBondContact O-N 3.43Å; Q318-G322 PolarHBondContact NE2-O 3.2Å |
| 319 | T | 54.4 | Low | 60.9 | Low | 34 Ų | 34 | 96.8 Ų | 96.8 | 21% | 0.209 | 55% | 0.552 | C | S | . | * | trans | -64.1 | 165.7 | 171.6 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | S321 G322 E323 I325 | T319-S321 PolarHBondContact O-N 3.22Å; T319-S321 VanDerWaalsContact O-N 3.08Å; T319-S321 PolarHBondContact OG1-OG 2.96Å; T319-G322 PolarHBondContact O-N 3.04Å; T319-E323 PolarHBondContact N-O 3.14Å; T319-E323 PolarHBondContact OG1-O 3.19Å; T319-I325 HydrophobicContact CG2-CB 4.34Å; T319-I325 HydrophobicContact CG2-CG1 3.5Å | ||
| 320 | C | 53.7 | Low | 62.2 | Low | 139 Ų | 139 | 97.2 Ų | 97.2 | 94% | 0.939 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.3 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 321 | S | 56 | Low | 63.4 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | T319 E323 | T319-S321 PolarHBondContact O-N 3.22Å; T319-S321 VanDerWaalsContact O-N 3.08Å; T319-S321 PolarHBondContact OG1-OG 2.96Å; S321-E323 PolarHBondContact O-N 3.47Å |
| 322 | G | 62.6 | Low | 64.6 | Low | 36 Ų | 36 | 91 Ų | 91 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 73.8 | -4.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q318 T319 | Q318-G322 PolarHBondContact NE2-O 3.2Å; T319-G322 PolarHBondContact O-N 3.04Å |
| 323 | E | 65.1 | Low | 65.6 | Low | 133 Ų | 133 | 95.9 Ų | 95.9 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -71.7 | 147.9 | 171.8 | -69.7 | -177 | 157.3 | 0 | 0 | 111.1 | T319 S321 I325 | T319-E323 PolarHBondContact N-O 3.14Å; T319-E323 PolarHBondContact OG1-O 3.19Å; S321-E323 PolarHBondContact O-N 3.47Å; E323-I325 PolarHBondContact O-N 3.29Å |
| 324 | P | 68.4 | Low | 67.1 | Low | 111 Ų | 111 | 89.6 Ų | 89.6 | 72% | 0.721 | 50% | 0.501 | S | S | * | . | B | Isolated β-bridge | trans | -63.5 | 130.4 | 172.9 | 26.8 | -32.4 | 0 | 0 | 0 | 109.7 | ||
| 325 | I | 70.4 | Confident | 68.3 | Low | 28 Ų | 28 | 85.7 Ų | 85.7 | 14% | 0.144 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 126.4 | 174.7 | -66.3 | 176.3 | 0 | 0 | 0 | 108.7 | P317 T319 E323 E329 L330 | P317-I325 HydrophobicContact CB-CD1 3.52Å; P317-I325 HydrophobicContact CG-CD1 4.03Å; P317-I325 WeakPolarHBondContact O-CD1 3.1Å; P317-I325 VanDerWaalsContact O-CG1 3.22Å; P317-I325 WeakPolarHBondContact O-CG1 3.28Å; T319-I325 HydrophobicContact CG2-CB 4.34Å; T319-I325 HydrophobicContact CG2-CG1 3.5Å; E323-I325 PolarHBondContact O-N 3.29Å; I325-E329 HydrophobicContact CG2-CB 3.4Å; I325-E329 VanDerWaalsContact CG2-CB 3.4Å; I325-L330 HydrophobicContact CG2-CB 4.31Å |
| 326 | P | 75.8 | Confident | 69.5 | Low | 59 Ų | 59 | 86.2 Ų | 86.2 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 146.4 | 179 | 23.1 | -31.7 | 0 | 0 | 0 | 110.3 | N328 E329 L330 | P326-N328 PolarHBondContact O-N 2.95Å; P326-E329 HydrophobicContact CG-CB 4.02Å; P326-E329 HydrophobicContact CG-CG 3.85Å; P326-E329 PolarHBondContact O-N 2.67Å; P326-L330 PolarHBondContact O-N 3.17Å; P326-L330 VanDerWaalsContact O-N 3.16Å |
| 327 | P | 76.3 | Confident | 70.9 | Confident | 100 Ų | 100 | 85 Ų | 85 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.5 | -25.7 | -173.2 | 22.5 | -33.8 | 0 | 0 | 0 | 113.4 | K331 | P327-K331 WeakPolarHBondContact O-CG 3.28Å; P327-K331 PolarHBondContact O-N 3.37Å; P327-K331 VanDerWaalsContact O-N 3.12Å |
| 328 | N | 78.8 | Confident | 72.1 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.2 | -46.2 | 174.4 | -166.2 | 30.6 | 0 | 0 | 0 | 112.3 | P326 L330 K331 A332 | P326-N328 PolarHBondContact O-N 2.95Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.11Å; N328-K331 PolarHBondContact O-N 3.31Å; N328-A332 WeakPolarHBondContact O-CB 3.33Å; N328-A332 PolarHBondContact O-N 3.04Å |
| 329 | E | 77.6 | Confident | 73.5 | Confident | 105 Ų | 105 | 88.3 Ų | 88.3 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 175.8 | -82.2 | -176 | -150.6 | 0 | 0 | 112.1 | I325 P326 A332 K333 | I325-E329 HydrophobicContact CG2-CB 3.4Å; I325-E329 VanDerWaalsContact CG2-CB 3.4Å; P326-E329 HydrophobicContact CG-CB 4.02Å; P326-E329 HydrophobicContact CG-CG 3.85Å; P326-E329 PolarHBondContact O-N 2.67Å; E329-A332 PolarHBondContact O-N 3.17Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 2.96Å |
| 330 | L | 74.9 | Confident | 75.1 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.5 | -170 | 69.7 | 0 | 0 | 0 | 111.4 | P317 I325 P326 N328 K333 E334 | P317-L330 HydrophobicContact CG-CD1 3.75Å; I325-L330 HydrophobicContact CG2-CB 4.31Å; P326-L330 PolarHBondContact O-N 3.17Å; P326-L330 VanDerWaalsContact O-N 3.16Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.11Å; L330-K333 PolarHBondContact O-N 3.38Å; L330-E334 WeakPolarHBondContact O-CB 3.45Å; L330-E334 PolarHBondContact O-N 2.91Å |
| 331 | K | 78.3 | Confident | 76.8 | Confident | 150 Ų | 150 | 91.4 Ų | 91.4 | 65% | 0.652 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 173.9 | -74.9 | 175.8 | -177.9 | 179.1 | 0 | 111.4 | P327 N328 K333 E334 R335 | P327-K331 WeakPolarHBondContact O-CG 3.28Å; P327-K331 PolarHBondContact O-N 3.37Å; P327-K331 VanDerWaalsContact O-N 3.12Å; N328-K331 PolarHBondContact O-N 3.31Å; K331-K333 PolarHBondContact O-N 3.48Å; K331-E334 PolarHBondContact O-N 3.04Å; K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 PolarHBondContact O-N 3.03Å |
| 332 | A | 77.7 | Confident | 78.3 | Confident | 27 Ų | 27 | 87.9 Ų | 87.9 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N328 E329 E334 R335 A336 I389 | N328-A332 WeakPolarHBondContact O-CB 3.33Å; N328-A332 PolarHBondContact O-N 3.04Å; E329-A332 PolarHBondContact O-N 3.17Å; A332-E334 PolarHBondContact O-N 3.41Å; A332-R335 PolarHBondContact O-N 2.89Å; A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 3.47Å; A332-I389 HydrophobicContact CB-CD1 4.16Å |
| 333 | K | 76.9 | Confident | 79.4 | Confident | 123 Ų | 123 | 89 Ų | 89 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 175.9 | -172.2 | 171.2 | -176.2 | 169.1 | 0 | 112.4 | E329 L330 K331 R337 | E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 2.96Å; L330-K333 PolarHBondContact O-N 3.38Å; K331-K333 PolarHBondContact O-N 3.48Å; K333-R337 WeakPolarHBondContact O-CB 3.47Å; K333-R337 PolarHBondContact O-N 3.03Å |
| 334 | E | 81.7 | Confident | 80.7 | Confident | 57 Ų | 57 | 88.2 Ų | 88.2 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.3 | -39.7 | 174.1 | -176.2 | 60.2 | -162.5 | 0 | 0 | 111.7 | L330 K331 A332 R337 R338 | L330-E334 WeakPolarHBondContact O-CB 3.45Å; L330-E334 PolarHBondContact O-N 2.91Å; K331-E334 PolarHBondContact O-N 3.04Å; A332-E334 PolarHBondContact O-N 3.41Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.01Å; E334-R337 IonicContact OE1-NH1 3.29Å; E334-R337 PolarHBondContact OE1-NH1 3.24Å; E334-R337 IonicContact OE2-CZ 3.6Å; E334-R337 IonicContact OE2-NH1 3.96Å; E334-R337 PolarHBondContact OE2-NH1 2.96Å; E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 2.98Å; E334-R338 IonicContact OE1-CZ 3.09Å; E334-R338 IonicContact OE1-NE 3.75Å; E334-R338 IonicContact OE1-NH2 2.56Å |
| 335 | R | 82.1 | Confident | 81.7 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 171.5 | -175 | -174 | -92.2 | 138.1 | -12.1 | 110.8 | K331 A332 R337 R338 R339 S382 D387 | K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 PolarHBondContact O-N 3.03Å; A332-R335 PolarHBondContact O-N 2.89Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-R337 PolarHBondContact O-N 3.47Å; R335-R338 WeakPolarHBondContact O-CB 3.49Å; R335-R338 PolarHBondContact O-N 3.26Å; R335-R338 VanDerWaalsContact O-N 3.14Å; R335-R339 WeakPolarHBondContact O-CB 3.33Å; R335-R339 PolarHBondContact O-N 3.01Å; R335-S382 PolarHBondContact NE-O 3.1Å; R335-D387 IonicContact CZ-OD2 3.5Å; R335-D387 IonicContact NE-OD2 3.64Å; R335-D387 IonicContact NH1-OD1 3.3Å; R335-D387 IonicContact NH1-OD2 2.91Å; R335-D387 PolarHBondContact NH1-OD2 2.98Å; R335-D387 IonicContact NH2-OD2 3.04Å |
| 336 | A | 81.3 | Confident | 82.7 | Confident | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A332 R339 K340 | A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 3.47Å; A336-R339 PolarHBondContact O-N 3.45Å; A336-K340 WeakPolarHBondContact O-CB 3.46Å; A336-K340 PolarHBondContact O-N 3.47Å |
| 337 | R | 85.3 | Confident | 83.4 | Confident | 131 Ų | 131 | 83.7 Ų | 83.7 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 174.2 | 180 | 175 | 170.1 | -118.4 | 6.3 | 111.9 | K333 E334 R335 K341 | K333-R337 WeakPolarHBondContact O-CB 3.47Å; K333-R337 PolarHBondContact O-N 3.03Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.01Å; E334-R337 IonicContact OE1-NH1 3.29Å; E334-R337 PolarHBondContact OE1-NH1 3.24Å; E334-R337 IonicContact OE2-CZ 3.6Å; E334-R337 IonicContact OE2-NH1 3.96Å; E334-R337 PolarHBondContact OE2-NH1 2.96Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-R337 PolarHBondContact O-N 3.47Å; R337-K341 WeakPolarHBondContact O-CG 3.2Å; R337-K341 PolarHBondContact O-N 3.21Å; R337-K341 VanDerWaalsContact O-N 3.09Å |
| 338 | R | 83.4 | Confident | 84.1 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 39% | 0.389 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 173.7 | -72.6 | -179.1 | -168.6 | 136.9 | 2 | 111 | E334 R335 K340 K341 L342 F379 | E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 2.98Å; E334-R338 IonicContact OE1-CZ 3.09Å; E334-R338 IonicContact OE1-NE 3.75Å; E334-R338 IonicContact OE1-NH2 2.56Å; R335-R338 WeakPolarHBondContact O-CB 3.49Å; R335-R338 PolarHBondContact O-N 3.26Å; R335-R338 VanDerWaalsContact O-N 3.14Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 2.94Å; R338-K341 WeakPolarHBondContact O-CA 3.16Å; R338-K341 WeakPolarHBondContact O-CB 3.47Å; R338-K341 PolarHBondContact O-N 2.86Å; R338-L342 PolarHBondContact O-N 3.41Å; R338-F379 HydrophobicContact CB-CE1 4.41Å; R338-F379 WeakPolarHBondContact O-CE1 3.48Å |
| 339 | R | 83.2 | Confident | 84.7 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.4 | -43 | 176.1 | -170 | 172.5 | 171.4 | -170 | -0.3 | 112.2 | R335 A336 K341 L342 A343 D386 | R335-R339 WeakPolarHBondContact O-CB 3.33Å; R335-R339 PolarHBondContact O-N 3.01Å; A336-R339 PolarHBondContact O-N 3.45Å; R339-K341 PolarHBondContact O-N 2.75Å; R339-L342 WeakPolarHBondContact O-CB 3.48Å; R339-L342 PolarHBondContact O-N 3.26Å; R339-A343 WeakPolarHBondContact O-CB 3.37Å; R339-A343 PolarHBondContact O-N 2.81Å; R339-D386 IonicContact CZ-OD1 3.6Å; R339-D386 IonicContact NH1-OD1 2.67Å; R339-D386 PolarHBondContact NH1-OD1 3.4Å; R339-D386 IonicContact NH2-OD1 3.11Å |
| 340 | K | 87.3 | Confident | 85.3 | Confident | 138 Ų | 138 | 78.9 Ų | 78.9 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -34.6 | 175.6 | -170.2 | 168.8 | -172.1 | 165.8 | 0 | 113.4 | A336 R338 K344 | A336-K340 WeakPolarHBondContact O-CB 3.46Å; A336-K340 PolarHBondContact O-N 3.47Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 2.94Å; K340-K344 WeakPolarHBondContact O-CG 3.47Å; K340-K344 PolarHBondContact O-N 2.95Å |
| 341 | K | 89.3 | Confident | 86.1 | Confident | 99 Ų | 99 | 82.4 Ų | 82.4 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 173.3 | -75.6 | 174.8 | 179.8 | 176.9 | 0 | 111 | R337 R338 R339 K344 A345 F379 | R337-K341 WeakPolarHBondContact O-CG 3.2Å; R337-K341 PolarHBondContact O-N 3.21Å; R337-K341 VanDerWaalsContact O-N 3.09Å; R338-K341 WeakPolarHBondContact O-CA 3.16Å; R338-K341 WeakPolarHBondContact O-CB 3.47Å; R338-K341 PolarHBondContact O-N 2.86Å; R339-K341 PolarHBondContact O-N 2.75Å; K341-K344 PolarHBondContact O-N 3.13Å; K341-A345 PolarHBondContact O-N 3.47Å; K341-F379 HydrophobicContact CB-CE1 4.47Å; K341-F379 HydrophobicContact CB-CZ 4.33Å |
| 342 | L | 87.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 82.2 Ų | 82.2 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.6 | -54.8 | 175.9 | -179.5 | 65 | 0 | 0 | 0 | 110.4 | R338 R339 K344 A345 I346 Y369 I370 F379 | R338-L342 PolarHBondContact O-N 3.41Å; R339-L342 WeakPolarHBondContact O-CB 3.48Å; R339-L342 PolarHBondContact O-N 3.26Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 2.97Å; L342-A345 WeakPolarHBondContact O-CA 3.46Å; L342-A345 WeakPolarHBondContact O-CB 3.32Å; L342-A345 PolarHBondContact O-N 2.94Å; L342-I346 HydrophobicContact CD1-CD1 4.32Å; L342-I346 HydrophobicContact CD1-CG1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.44Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 PolarHBondContact O-N 3.33Å; L342-Y369 HydrophobicContact CD1-CD1 3.29Å; L342-Y369 HydrophobicContact CD1-CE1 3.61Å; L342-Y369 HydrophobicContact CD1-CG 4.39Å; L342-I370 HydrophobicContact CD1-CG1 4.05Å; L342-I370 HydrophobicContact CD2-CD1 4.06Å; L342-I370 HydrophobicContact CD2-CG1 4.13Å; L342-F379 HydrophobicContact CB-CD1 4.04Å; L342-F379 HydrophobicContact CB-CE1 3.67Å; L342-F379 HydrophobicContact CB-CZ 4.29Å; L342-F379 HydrophobicContact CD1-CD1 4.19Å; L342-F379 HydrophobicContact CD1-CE1 4.31Å; L342-F379 HydrophobicContact CD1-CG 4.33Å |
| 343 | A | 87.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 83 Ų | 83 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.5 | -41.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R339 A345 I346 D347 | R339-A343 WeakPolarHBondContact O-CB 3.37Å; R339-A343 PolarHBondContact O-N 2.81Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 3.31Å; A343-I346 PolarHBondContact O-N 2.89Å; A343-D347 WeakPolarHBondContact O-CB 3.31Å; A343-D347 PolarHBondContact O-N 3.39Å |
| 344 | K | 91.2 | Very high | 87.9 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -30.1 | 175.3 | -75.6 | 178 | 177.5 | -176.2 | 0 | 113.2 | K340 K341 L342 R348 | K340-K344 WeakPolarHBondContact O-CG 3.47Å; K340-K344 PolarHBondContact O-N 2.95Å; K341-K344 PolarHBondContact O-N 3.13Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 2.97Å; K344-R348 WeakPolarHBondContact O-CD 3.43Å; K344-R348 WeakPolarHBondContact O-CG 3.39Å; K344-R348 PolarHBondContact O-N 2.64Å |
| 345 | A | 90.5 | Very high | 88.3 | Confident | 18 Ų | 18 | 84.1 Ų | 84.1 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -74.2 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | K341 L342 A343 R348 Q349 Y369 | K341-A345 PolarHBondContact O-N 3.47Å; L342-A345 WeakPolarHBondContact O-CA 3.46Å; L342-A345 WeakPolarHBondContact O-CB 3.32Å; L342-A345 PolarHBondContact O-N 2.94Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 3.31Å; A345-R348 PolarHBondContact O-N 2.8Å; A345-Q349 PolarHBondContact O-N 3.49Å; A345-Y369 HydrophobicContact CB-CE1 3.87Å; A345-Y369 HydrophobicContact CB-CE2 3.78Å; A345-Y369 VanDerWaalsContact CB-OH 3.29Å; A345-Y369 WeakPolarHBondContact CB-OH 3.5Å |
| 346 | I | 90.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 88.3 Ų | 88.3 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 174.6 | -56.3 | -48.4 | 0 | 0 | 0 | 110.7 | L342 A343 R348 Q349 A350 L365 K366 Y369 | L342-I346 HydrophobicContact CD1-CD1 4.32Å; L342-I346 HydrophobicContact CD1-CG1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.44Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 PolarHBondContact O-N 3.33Å; A343-I346 PolarHBondContact O-N 2.89Å; I346-R348 VanDerWaalsContact C-N 3.31Å; I346-R348 PolarHBondContact O-N 3.46Å; I346-Q349 CarbonylContact O-C 3.59Å; I346-Q349 PolarHBondContact O-N 3.39Å; I346-A350 WeakPolarHBondContact O-CB 3.47Å; I346-A350 PolarHBondContact O-N 2.89Å; I346-L365 HydrophobicContact CG2-CB 4.47Å; I346-L365 HydrophobicContact CG2-CD2 3.97Å; I346-L365 HydrophobicContact CG2-CG 4.28Å; I346-K366 HydrophobicContact CD1-CB 4.38Å; I346-K366 HydrophobicContact CG1-CB 4.31Å; I346-K366 HydrophobicContact CG1-CG 4.38Å; I346-Y369 HydrophobicContact CD1-CD1 3.87Å; I346-Y369 HydrophobicContact CD1-CD2 4.06Å; I346-Y369 HydrophobicContact CD1-CG 3.46Å; I346-Y369 VanDerWaalsContact CD1-CG 3.46Å |
| 347 | D | 90.6 | Very high | 88.9 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.3 | 171.3 | 77.3 | 0 | 0 | 0 | 112 | A343 Q349 A350 R351 | A343-D347 WeakPolarHBondContact O-CB 3.31Å; A343-D347 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.35Å; D347-Q349 PolarHBondContact O-N 3.46Å; D347-A350 PolarHBondContact O-N 3.22Å; D347-R351 VanDerWaalsContact CG-NE 3.31Å; D347-R351 WeakPolarHBondContact O-CB 3.49Å; D347-R351 VanDerWaalsContact O-CG 3.24Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.62Å; D347-R351 IonicContact OD1-CZ 3.54Å; D347-R351 IonicContact OD1-NE 2.73Å; D347-R351 PolarHBondContact OD1-NE 3.1Å; D347-R351 IonicContact OD1-NH2 3.7Å; D347-R351 PolarHBondContact OD1-NH2 2.82Å; D347-R351 IonicContact OD2-CZ 3.58Å; D347-R351 IonicContact OD2-NE 2.75Å; D347-R351 PolarHBondContact OD2-NE 3.23Å; D347-R351 IonicContact OD2-NH2 3.95Å |
| 348 | R | 92.2 | Very high | 88.8 | Confident | 168 Ų | 168 | 86.6 Ų | 86.6 | 63% | 0.634 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 175.2 | -73.8 | 171.3 | -167.4 | -80.5 | 2.1 | 112.3 | K344 A345 I346 K352 | K344-R348 WeakPolarHBondContact O-CD 3.43Å; K344-R348 WeakPolarHBondContact O-CG 3.39Å; K344-R348 PolarHBondContact O-N 2.64Å; A345-R348 PolarHBondContact O-N 2.8Å; I346-R348 VanDerWaalsContact C-N 3.31Å; I346-R348 PolarHBondContact O-N 3.46Å; R348-K352 VanDerWaalsContact O-CG 3.29Å; R348-K352 WeakPolarHBondContact O-CG 3.4Å; R348-K352 PolarHBondContact O-N 2.98Å |
| 349 | Q | 90.6 | Very high | 88.9 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73.3 | -41.3 | 179.1 | -171.1 | 173.5 | -18.6 | 0 | 0 | 111.1 | A345 I346 D347 R351 K352 L353 L365 | A345-Q349 PolarHBondContact O-N 3.49Å; I346-Q349 CarbonylContact O-C 3.59Å; I346-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.35Å; D347-Q349 PolarHBondContact O-N 3.46Å; Q349-R351 PolarHBondContact O-N 3.05Å; Q349-K352 WeakPolarHBondContact O-CB 3.16Å; Q349-K352 PolarHBondContact O-N 3.46Å; Q349-K352 VanDerWaalsContact O-N 3.13Å; Q349-L353 HydrophobicContact CG-CD1 4.37Å; Q349-L353 WeakPolarHBondContact O-CG 3.29Å; Q349-L353 PolarHBondContact O-N 2.77Å; Q349-L365 HydrophobicContact CB-CD2 4.08Å; Q349-L365 HydrophobicContact CG-CD1 3.86Å; Q349-L365 HydrophobicContact CG-CD2 4.11Å; Q349-L365 HydrophobicContact CG-CG 4.34Å |
| 350 | A | 90.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 84.1 Ų | 84.1 | 3% | 0.033 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I346 D347 K352 L353 Q354 V360 L362 L365 | I346-A350 WeakPolarHBondContact O-CB 3.47Å; I346-A350 PolarHBondContact O-N 2.89Å; D347-A350 PolarHBondContact O-N 3.22Å; A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.42Å; A350-L353 PolarHBondContact O-N 3.09Å; A350-L353 VanDerWaalsContact O-N 3.15Å; A350-Q354 WeakPolarHBondContact O-CB 3.41Å; A350-Q354 VanDerWaalsContact O-CG 3.3Å; A350-Q354 WeakPolarHBondContact O-CG 3.4Å; A350-Q354 PolarHBondContact O-N 3.25Å; A350-V360 HydrophobicContact CB-CG1 3.88Å; A350-L362 HydrophobicContact CB-CD2 3.97Å; A350-L365 HydrophobicContact CB-CD2 3.86Å |
| 351 | R | 90.9 | Very high | 88.9 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.9 | -38.2 | 174.9 | -72.3 | 173.9 | -167.7 | -117.8 | -2.2 | 112.8 | D347 Q349 A355 | D347-R351 VanDerWaalsContact CG-NE 3.31Å; D347-R351 WeakPolarHBondContact O-CB 3.49Å; D347-R351 VanDerWaalsContact O-CG 3.24Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.62Å; D347-R351 IonicContact OD1-CZ 3.54Å; D347-R351 IonicContact OD1-NE 2.73Å; D347-R351 PolarHBondContact OD1-NE 3.1Å; D347-R351 IonicContact OD1-NH2 3.7Å; D347-R351 PolarHBondContact OD1-NH2 2.82Å; D347-R351 IonicContact OD2-CZ 3.58Å; D347-R351 IonicContact OD2-NE 2.75Å; D347-R351 PolarHBondContact OD2-NE 3.23Å; D347-R351 IonicContact OD2-NH2 3.95Å; Q349-R351 PolarHBondContact O-N 3.05Å; R351-A355 VanDerWaalsContact O-CB 3.23Å; R351-A355 WeakPolarHBondContact O-CB 3.45Å; R351-A355 PolarHBondContact O-N 2.88Å |
| 352 | K | 91.9 | Very high | 88.6 | Confident | 146 Ų | 146 | 82.7 Ų | 82.7 | 64% | 0.635 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.1 | -36.9 | 176.8 | -76.7 | 173.9 | 179.5 | -177.7 | 0 | 112.6 | R348 Q349 A350 K356 | R348-K352 VanDerWaalsContact O-CG 3.29Å; R348-K352 WeakPolarHBondContact O-CG 3.4Å; R348-K352 PolarHBondContact O-N 2.98Å; Q349-K352 WeakPolarHBondContact O-CB 3.16Å; Q349-K352 PolarHBondContact O-N 3.46Å; Q349-K352 VanDerWaalsContact O-N 3.13Å; A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.42Å; K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 3Å |
| 353 | L | 90.4 | Very high | 88.4 | Confident | 42 Ų | 42 | 89.9 Ų | 89.9 | 22% | 0.22 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -75.3 | -42.4 | 177.8 | -70.1 | 174.6 | 0 | 0 | 0 | 111.2 | Q349 A350 A355 K356 G357 I358 V360 L365 | Q349-L353 HydrophobicContact CG-CD1 4.37Å; Q349-L353 WeakPolarHBondContact O-CG 3.29Å; Q349-L353 PolarHBondContact O-N 2.77Å; A350-L353 PolarHBondContact O-N 3.09Å; A350-L353 VanDerWaalsContact O-N 3.15Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.14Å; L353-K356 CarbonylContact O-C 3.34Å; L353-K356 WeakPolarHBondContact O-CA 3.35Å; L353-K356 WeakPolarHBondContact O-CB 3.44Å; L353-K356 PolarHBondContact O-N 2.92Å; L353-G357 PolarHBondContact O-N 3.45Å; L353-I358 HydrophobicContact CB-CB 4.41Å; L353-I358 HydrophobicContact CD2-CD1 3.98Å; L353-I358 PolarHBondContact O-N 2.93Å; L353-I358 VanDerWaalsContact O-N 3.08Å; L353-V360 HydrophobicContact CB-CG2 3.39Å; L353-V360 HydrophobicContact CD1-CG2 4.16Å; L353-V360 HydrophobicContact CG-CG2 4.43Å; L353-L365 HydrophobicContact CD1-CD1 3.65Å; L353-L365 HydrophobicContact CD1-CD2 4.28Å |
| 354 | Q | 89.6 | Confident | 88.4 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 172.8 | -73.2 | 174.7 | -13.9 | 0 | 0 | 111.9 | A350 K356 G357 V360 | A350-Q354 WeakPolarHBondContact O-CB 3.41Å; A350-Q354 VanDerWaalsContact O-CG 3.3Å; A350-Q354 WeakPolarHBondContact O-CG 3.4Å; A350-Q354 PolarHBondContact O-N 3.25Å; Q354-K356 PolarHBondContact O-N 3.31Å; Q354-G357 PolarHBondContact O-N 2.9Å; Q354-V360 HydrophobicContact CG-CB 4.41Å; Q354-V360 HydrophobicContact CG-CG2 3.8Å |
| 355 | A | 89.9 | Confident | 88.2 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 74% | 0.736 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R351 L353 G357 | R351-A355 VanDerWaalsContact O-CB 3.23Å; R351-A355 WeakPolarHBondContact O-CB 3.45Å; R351-A355 PolarHBondContact O-N 2.88Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.14Å; A355-G357 VanDerWaalsContact C-N 3.34Å |
| 356 | K | 90.7 | Very high | 88 | Confident | 158 Ų | 158 | 87.1 Ų | 87.1 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.1 | 172.7 | -67.5 | 175.6 | 178.6 | -173.3 | 0 | 112.9 | K352 L353 Q354 I358 | K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 3Å; L353-K356 CarbonylContact O-C 3.34Å; L353-K356 WeakPolarHBondContact O-CA 3.35Å; L353-K356 WeakPolarHBondContact O-CB 3.44Å; L353-K356 PolarHBondContact O-N 2.92Å; Q354-K356 PolarHBondContact O-N 3.31Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 HydrophobicContact CB-CD1 4.14Å; K356-I358 HydrophobicContact CB-CG1 4.24Å; K356-I358 HydrophobicContact CD-CD1 4.47Å; K356-I358 PolarHBondContact O-N 3.16Å |
| 357 | G | 84.3 | Confident | 87.7 | Confident | 70 Ų | 70 | 89.4 Ų | 89.4 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 13.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L353 Q354 A355 | L353-G357 PolarHBondContact O-N 3.45Å; Q354-G357 PolarHBondContact O-N 2.9Å; A355-G357 VanDerWaalsContact C-N 3.34Å |
| 358 | I | 83.4 | Confident | 87.5 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | trans | -87.3 | 127.4 | 178.1 | -58.5 | 169.5 | 0 | 0 | 0 | 108.1 | L353 K356 V360 | L353-I358 HydrophobicContact CB-CB 4.41Å; L353-I358 HydrophobicContact CD2-CD1 3.98Å; L353-I358 PolarHBondContact O-N 2.93Å; L353-I358 VanDerWaalsContact O-N 3.08Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 HydrophobicContact CB-CD1 4.14Å; K356-I358 HydrophobicContact CB-CG1 4.24Å; K356-I358 HydrophobicContact CD-CD1 4.47Å; K356-I358 PolarHBondContact O-N 3.16Å; I358-V360 PolarHBondContact O-N 3.26Å | ||
| 359 | T | 84.8 | Confident | 87.2 | Confident | 139 Ų | 139 | 84.4 Ų | 84.4 | 85% | 0.853 | 46% | 0.455 | S | S | * | . | trans | -64.5 | 128.1 | 171.2 | 50 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 360 | V | 83.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 82.8 Ų | 82.8 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | trans | -108.7 | 112.9 | -174.9 | -179 | 0 | 0 | 0 | 0 | 109.4 | A350 L353 Q354 I358 L362 L365 | A350-V360 HydrophobicContact CB-CG1 3.88Å; L353-V360 HydrophobicContact CB-CG2 3.39Å; L353-V360 HydrophobicContact CD1-CG2 4.16Å; L353-V360 HydrophobicContact CG-CG2 4.43Å; Q354-V360 HydrophobicContact CG-CB 4.41Å; Q354-V360 HydrophobicContact CG-CG2 3.8Å; I358-V360 PolarHBondContact O-N 3.26Å; V360-L362 HydrophobicContact CG1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CB 4.37Å; V360-L365 HydrophobicContact CG1-CD2 3.68Å | ||
| 361 | D | 87.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 86.8 Ų | 86.8 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | trans | -79.1 | 116.4 | 159.6 | 178 | 11.5 | 0 | 0 | 0 | 109.1 | E363 A364 L365 | D361-E363 VanDerWaalsContact C-N 3.29Å; D361-E363 PolarHBondContact O-N 3.5Å; D361-E363 PolarHBondContact OD1-N 2.87Å; D361-E363 VanDerWaalsContact OD1-N 3.11Å; D361-A364 HydrophobicContact CB-CB 4.1Å; D361-A364 WeakPolarHBondContact OD2-CB 3.44Å; D361-L365 VanDerWaalsContact O-CB 3.28Å; D361-L365 WeakPolarHBondContact O-CB 3.2Å; D361-L365 PolarHBondContact O-N 2.86Å; D361-L365 VanDerWaalsContact O-N 3.08Å | ||
| 362 | L | 82.9 | Confident | 86.1 | Confident | 104 Ų | 104 | 84.4 Ų | 84.4 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.2 | -30.9 | -176.1 | -66.7 | 174.9 | 0 | 0 | 0 | 112.1 | A350 V360 K366 | A350-L362 HydrophobicContact CB-CD2 3.97Å; V360-L362 HydrophobicContact CG1-CD2 4.28Å; L362-K366 VanDerWaalsContact O-CB 3.28Å; L362-K366 WeakPolarHBondContact O-CB 3.26Å; L362-K366 PolarHBondContact O-N 3.36Å |
| 363 | E | 84.9 | Confident | 85.6 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 72% | 0.724 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -76.8 | -47.1 | -176.8 | -169.7 | 163.5 | -160.4 | 0 | 0 | 111 | D361 L365 K366 A367 | D361-E363 VanDerWaalsContact C-N 3.29Å; D361-E363 PolarHBondContact O-N 3.5Å; D361-E363 PolarHBondContact OD1-N 2.87Å; D361-E363 VanDerWaalsContact OD1-N 3.11Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 3.5Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.4Å; E363-A367 PolarHBondContact O-N 3.42Å |
| 364 | A | 85.8 | Confident | 85.1 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D361 K366 A367 E368 | D361-A364 HydrophobicContact CB-CB 4.1Å; D361-A364 WeakPolarHBondContact OD2-CB 3.44Å; A364-K366 VanDerWaalsContact C-N 3.31Å; A364-K366 PolarHBondContact O-N 3.31Å; A364-A367 PolarHBondContact O-N 3.19Å; A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.97Å |
| 365 | L | 86.8 | Confident | 84.1 | Confident | 9 Ų | 9 | 82.9 Ų | 82.9 | 5% | 0.047 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 178.7 | -168.2 | 65.3 | 0 | 0 | 0 | 112.2 | I346 Q349 A350 L353 V360 D361 E363 Y369 | I346-L365 HydrophobicContact CG2-CB 4.47Å; I346-L365 HydrophobicContact CG2-CD2 3.97Å; I346-L365 HydrophobicContact CG2-CG 4.28Å; Q349-L365 HydrophobicContact CB-CD2 4.08Å; Q349-L365 HydrophobicContact CG-CD1 3.86Å; Q349-L365 HydrophobicContact CG-CD2 4.11Å; Q349-L365 HydrophobicContact CG-CG 4.34Å; A350-L365 HydrophobicContact CB-CD2 3.86Å; L353-L365 HydrophobicContact CD1-CD1 3.65Å; L353-L365 HydrophobicContact CD1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CB 4.37Å; V360-L365 HydrophobicContact CG1-CD2 3.68Å; D361-L365 VanDerWaalsContact O-CB 3.28Å; D361-L365 WeakPolarHBondContact O-CB 3.2Å; D361-L365 PolarHBondContact O-N 2.86Å; D361-L365 VanDerWaalsContact O-N 3.08Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 3.5Å; L365-Y369 VanDerWaalsContact O-CB 3.31Å; L365-Y369 WeakPolarHBondContact O-CB 3.28Å; L365-Y369 PolarHBondContact O-N 2.92Å |
| 366 | K | 86.1 | Confident | 83.1 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 33% | 0.326 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 175.5 | -174.6 | -173.5 | -179.8 | -163.2 | 0 | 111.2 | I346 L362 E363 A364 Y369 I370 L384 | I346-K366 HydrophobicContact CD1-CB 4.38Å; I346-K366 HydrophobicContact CG1-CB 4.31Å; I346-K366 HydrophobicContact CG1-CG 4.38Å; L362-K366 VanDerWaalsContact O-CB 3.28Å; L362-K366 WeakPolarHBondContact O-CB 3.26Å; L362-K366 PolarHBondContact O-N 3.36Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.4Å; A364-K366 VanDerWaalsContact C-N 3.31Å; A364-K366 PolarHBondContact O-N 3.31Å; K366-Y369 PolarHBondContact O-N 3.23Å; K366-I370 HydrophobicContact CG-CD1 4.02Å; K366-I370 VanDerWaalsContact O-CG1 3.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.37Å; K366-I370 PolarHBondContact O-N 3Å; K366-L384 HydrophobicContact CD-CD2 4.2Å |
| 367 | A | 85.5 | Confident | 82 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E363 A364 I370 S371 | E363-A367 PolarHBondContact O-N 3.42Å; A364-A367 PolarHBondContact O-N 3.19Å; A367-I370 PolarHBondContact O-N 3.38Å; A367-S371 WeakPolarHBondContact O-CB 3.2Å; A367-S371 PolarHBondContact O-N 2.77Å |
| 368 | E | 85.6 | Confident | 81.3 | Confident | 100 Ų | 100 | 79.2 Ų | 79.2 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 176.9 | -170.3 | -174.3 | -179.9 | 0 | 0 | 111.4 | A364 I370 S371 Q372 | A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.97Å; E368-I370 PolarHBondContact O-N 3.09Å; E368-S371 PolarHBondContact O-N 2.85Å; E368-Q372 HydrophobicContact CG-CG 4.48Å; E368-Q372 WeakPolarHBondContact O-CG 3.36Å; E368-Q372 PolarHBondContact O-N 3.32Å; E368-Q372 PolarHBondContact OE1-NE2 3.41Å |
| 369 | Y | 86 | Confident | 80.6 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 14% | 0.137 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 178.9 | -172 | -88.4 | 0 | 0 | 0 | 112.1 | L342 A345 I346 L365 K366 Q372 H373 F379 | L342-Y369 HydrophobicContact CD1-CD1 3.29Å; L342-Y369 HydrophobicContact CD1-CE1 3.61Å; L342-Y369 HydrophobicContact CD1-CG 4.39Å; A345-Y369 HydrophobicContact CB-CE1 3.87Å; A345-Y369 HydrophobicContact CB-CE2 3.78Å; A345-Y369 VanDerWaalsContact CB-OH 3.29Å; A345-Y369 WeakPolarHBondContact CB-OH 3.5Å; I346-Y369 HydrophobicContact CD1-CD1 3.87Å; I346-Y369 HydrophobicContact CD1-CD2 4.06Å; I346-Y369 HydrophobicContact CD1-CG 3.46Å; I346-Y369 VanDerWaalsContact CD1-CG 3.46Å; L365-Y369 VanDerWaalsContact O-CB 3.31Å; L365-Y369 WeakPolarHBondContact O-CB 3.28Å; L365-Y369 PolarHBondContact O-N 2.92Å; K366-Y369 PolarHBondContact O-N 3.23Å; Y369-Q372 PolarHBondContact O-N 3.4Å; Y369-H373 AromaticContact CD1-CD2 3.86Å; Y369-H373 AromaticContact CD2-CD2 3.89Å; Y369-H373 AromaticContact CE1-CD2 3.58Å; Y369-H373 AromaticContact CE2-CD2 3.58Å; Y369-H373 AromaticContact CE2-NE2 3.46Å; Y369-H373 WeakPolarHBondContact CE2-NE2 3.42Å; Y369-H373 AromaticContact CZ-CD2 3.4Å; Y369-H373 VanDerWaalsContact CZ-CD2 3.4Å; Y369-H373 AromaticContact CZ-NE2 3.43Å; Y369-H373 WeakPolarHBondContact O-CB 3.49Å; Y369-H373 PolarHBondContact O-CD2 3.42Å; Y369-H373 VanDerWaalsContact O-CD2 3.3Å; Y369-H373 PolarHBondContact O-N 2.95Å; Y369-H373 PolarHBondContact OH-NE2 3.12Å; Y369-F379 HydrophobicContact CE1-CD2 4.07Å; Y369-F379 AromaticContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CZ 4.39Å |
| 370 | I | 83.1 | Confident | 79.7 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 6% | 0.062 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.6 | -67.1 | 166.6 | 0 | 0 | 0 | 109.8 | L342 K366 A367 E368 Q372 H373 K374 L384 | L342-I370 HydrophobicContact CD1-CG1 4.05Å; L342-I370 HydrophobicContact CD2-CD1 4.06Å; L342-I370 HydrophobicContact CD2-CG1 4.13Å; K366-I370 HydrophobicContact CG-CD1 4.02Å; K366-I370 VanDerWaalsContact O-CG1 3.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.37Å; K366-I370 PolarHBondContact O-N 3Å; A367-I370 PolarHBondContact O-N 3.38Å; E368-I370 PolarHBondContact O-N 3.09Å; I370-Q372 PolarHBondContact O-N 2.95Å; I370-H373 CarbonylContact O-C 3.49Å; I370-H373 PolarHBondContact O-N 3.37Å; I370-H373 VanDerWaalsContact O-N 3.15Å; I370-K374 VanDerWaalsContact O-CB 3.32Å; I370-K374 WeakPolarHBondContact O-CB 3.24Å; I370-K374 PolarHBondContact O-N 2.94Å; I370-L384 HydrophobicContact CD1-CD1 4.28Å; I370-L384 HydrophobicContact CD1-CD2 3.63Å; I370-L384 HydrophobicContact CD1-CG 4.12Å |
| 371 | S | 83.4 | Confident | 78.9 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 179.6 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | A367 E368 H373 K374 | A367-S371 WeakPolarHBondContact O-CB 3.2Å; A367-S371 PolarHBondContact O-N 2.77Å; E368-S371 PolarHBondContact O-N 2.85Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-N 3.45Å; S371-K374 PolarHBondContact O-N 3.43Å |
| 372 | Q | 82.3 | Confident | 77.9 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 176.5 | -71.4 | -179.2 | 14.3 | 0 | 0 | 112.6 | E368 Y369 I370 | E368-Q372 HydrophobicContact CG-CG 4.48Å; E368-Q372 WeakPolarHBondContact O-CG 3.36Å; E368-Q372 PolarHBondContact O-N 3.32Å; E368-Q372 PolarHBondContact OE1-NE2 3.41Å; Y369-Q372 PolarHBondContact O-N 3.4Å; I370-Q372 PolarHBondContact O-N 2.95Å |
| 373 | H | 81.7 | Confident | 77.1 | Confident | 51 Ų | 51 | 68 Ų | 68 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -97.9 | -3.9 | -175.8 | -78.5 | -78.5 | 0 | 0 | 0 | 114.9 | Y369 I370 S371 N376 T378 F379 | Y369-H373 AromaticContact CD1-CD2 3.86Å; Y369-H373 AromaticContact CD2-CD2 3.89Å; Y369-H373 AromaticContact CE1-CD2 3.58Å; Y369-H373 AromaticContact CE2-CD2 3.58Å; Y369-H373 AromaticContact CE2-NE2 3.46Å; Y369-H373 WeakPolarHBondContact CE2-NE2 3.42Å; Y369-H373 AromaticContact CZ-CD2 3.4Å; Y369-H373 VanDerWaalsContact CZ-CD2 3.4Å; Y369-H373 AromaticContact CZ-NE2 3.43Å; Y369-H373 WeakPolarHBondContact O-CB 3.49Å; Y369-H373 PolarHBondContact O-CD2 3.42Å; Y369-H373 VanDerWaalsContact O-CD2 3.3Å; Y369-H373 PolarHBondContact O-N 2.95Å; Y369-H373 PolarHBondContact OH-NE2 3.12Å; I370-H373 CarbonylContact O-C 3.49Å; I370-H373 PolarHBondContact O-N 3.37Å; I370-H373 VanDerWaalsContact O-N 3.15Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-N 3.45Å; H373-N376 PolarHBondContact O-N 3.15Å; H373-T378 WeakPolarHBondContact CB-OG1 3.4Å; H373-T378 PolarHBondContact O-OG1 2.75Å; H373-T378 VanDerWaalsContact O-OG1 3.04Å; H373-F379 HydrophobicContact CB-CD2 3.87Å |
| 374 | K | 79.1 | Confident | 75.9 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 177.4 | -172.9 | 171.6 | -177.6 | 172.4 | 0 | 111.6 | I370 S371 N376 G377 | I370-K374 VanDerWaalsContact O-CB 3.32Å; I370-K374 WeakPolarHBondContact O-CB 3.24Å; I370-K374 PolarHBondContact O-N 2.94Å; S371-K374 PolarHBondContact O-N 3.43Å; K374-N376 PolarHBondContact O-N 3.44Å; K374-G377 PolarHBondContact O-N 3.23Å |
| 375 | A | 70.3 | Confident | 74.7 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 78% | 0.777 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 376 | N | 68.4 | Low | 73.3 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 57% | 0.572 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.1 | 179 | -65.1 | -10.7 | 0 | 0 | 0 | 113 | H373 K374 T378 | H373-N376 PolarHBondContact O-N 3.15Å; K374-N376 PolarHBondContact O-N 3.44Å; N376-T378 HydrophobicContact CB-CG2 4.19Å; N376-T378 PolarHBondContact O-N 3.2Å; N376-T378 VanDerWaalsContact O-N 3.13Å |
| 377 | G | 68 | Low | 71.9 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 12.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K374 | K374-G377 PolarHBondContact O-N 3.23Š|
| 378 | T | 67.8 | Low | 70.3 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -82.3 | -27.6 | -173.2 | 48.7 | 0 | 0 | 0 | 0 | 114 | H373 N376 | H373-T378 WeakPolarHBondContact CB-OG1 3.4Å; H373-T378 PolarHBondContact O-OG1 2.75Å; H373-T378 VanDerWaalsContact O-OG1 3.04Å; N376-T378 HydrophobicContact CB-CG2 4.19Å; N376-T378 PolarHBondContact O-N 3.2Å; N376-T378 VanDerWaalsContact O-N 3.13Å |
| 379 | F | 70.1 | Confident | 68.6 | Low | 21 Ų | 21 | 72.8 Ų | 72.8 | 9% | 0.092 | 43% | 0.43 | C | S | . | . | trans | -142 | 141.9 | 178.7 | -64 | -75.8 | 0 | 0 | 0 | 108.5 | R338 K341 L342 Y369 H373 D383 | R338-F379 HydrophobicContact CB-CE1 4.41Å; R338-F379 WeakPolarHBondContact O-CE1 3.48Å; K341-F379 HydrophobicContact CB-CE1 4.47Å; K341-F379 HydrophobicContact CB-CZ 4.33Å; L342-F379 HydrophobicContact CB-CD1 4.04Å; L342-F379 HydrophobicContact CB-CE1 3.67Å; L342-F379 HydrophobicContact CB-CZ 4.29Å; L342-F379 HydrophobicContact CD1-CD1 4.19Å; L342-F379 HydrophobicContact CD1-CE1 4.31Å; L342-F379 HydrophobicContact CD1-CG 4.33Å; Y369-F379 HydrophobicContact CE1-CD2 4.07Å; Y369-F379 AromaticContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CZ 4.39Å; H373-F379 HydrophobicContact CB-CD2 3.87Å; F379-D383 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 380 | S | 65.5 | Low | 66.7 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | trans | -122.6 | 160.5 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | S382 D383 | S380-S382 WeakPolarHBondContact CB-OG 3.21Å; S380-S382 PolarHBondContact O-N 3.47Å; S380-S382 PolarHBondContact OG-OG 2.91Å; S380-D383 PolarHBondContact N-OD2 3.13Å; S380-D383 VanDerWaalsContact O-CB 3.31Å; S380-D383 WeakPolarHBondContact O-CB 3.38Å; S380-D383 PolarHBondContact O-N 2.86Å | ||
| 381 | D | 65.5 | Low | 65.3 | Low | 97 Ų | 97 | 86.2 Ų | 86.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -58.6 | -32.7 | 174.7 | -160 | 52.7 | 0 | 0 | 0 | 111.6 | D383 L384 | D381-D383 PolarHBondContact O-N 3.04Å; D381-L384 WeakPolarHBondContact O-CB 3.48Å; D381-L384 VanDerWaalsContact O-CG 3.3Å; D381-L384 WeakPolarHBondContact O-CG 3.39Å; D381-L384 PolarHBondContact O-N 2.83Å; D381-L384 VanDerWaalsContact OD1-CD1 3.31Å; D381-L384 WeakPolarHBondContact OD1-CD1 3.42Å |
| 382 | S | 66.6 | Low | 63.7 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -65.5 | -2.7 | 173.4 | 62.5 | 0 | 0 | 0 | 0 | 115.2 | R335 S380 L384 | R335-S382 PolarHBondContact NE-O 3.1Å; S380-S382 WeakPolarHBondContact CB-OG 3.21Å; S380-S382 PolarHBondContact O-N 3.47Å; S380-S382 PolarHBondContact OG-OG 2.91Å; S382-L384 VanDerWaalsContact C-N 3.29Å |
| 383 | D | 66.6 | Low | 62.2 | Low | 6 Ų | 6 | 88.4 Ų | 88.4 | 3% | 0.032 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -85.2 | -4.1 | 168.4 | -63.8 | -51.1 | 0 | 0 | 0 | 111.7 | F379 S380 D381 | F379-D383 WeakPolarHBondContact CA-OD2 3.32Å; S380-D383 PolarHBondContact N-OD2 3.13Å; S380-D383 VanDerWaalsContact O-CB 3.31Å; S380-D383 WeakPolarHBondContact O-CB 3.38Å; S380-D383 PolarHBondContact O-N 2.86Å; D381-D383 PolarHBondContact O-N 3.04Å |
| 384 | L | 59.9 | Low | 60.6 | Low | 68 Ų | 68 | 92.6 Ų | 92.6 | 36% | 0.356 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -89.9 | -26.2 | 176.2 | -61.9 | 178.8 | 0 | 0 | 0 | 113.8 | K366 I370 D381 S382 D386 | K366-L384 HydrophobicContact CD-CD2 4.2Å; I370-L384 HydrophobicContact CD1-CD1 4.28Å; I370-L384 HydrophobicContact CD1-CD2 3.63Å; I370-L384 HydrophobicContact CD1-CG 4.12Å; D381-L384 WeakPolarHBondContact O-CB 3.48Å; D381-L384 VanDerWaalsContact O-CG 3.3Å; D381-L384 WeakPolarHBondContact O-CG 3.39Å; D381-L384 PolarHBondContact O-N 2.83Å; D381-L384 VanDerWaalsContact OD1-CD1 3.31Å; D381-L384 WeakPolarHBondContact OD1-CD1 3.42Å; S382-L384 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 3.38Å |
| 385 | E | 59.9 | Low | 58.9 | Low | 121 Ų | 121 | 89.3 Ų | 89.3 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | trans | -76.2 | 116.6 | -179.7 | -65.2 | 176.7 | 166.2 | 0 | 0 | 109.4 | D387 | E385-D387 VanDerWaalsContact C-N 3.29Å; E385-D387 PolarHBondContact O-N 3.04Å; E385-D387 VanDerWaalsContact O-N 3.08Å | ||
| 386 | D | 58.6 | Low | 57.2 | Low | 113 Ų | 113 | 88.4 Ų | 88.4 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | trans | -72.2 | 89.8 | 164.6 | -160.3 | 59.6 | 0 | 0 | 0 | 106.3 | R339 L384 G388 | R339-D386 IonicContact CZ-OD1 3.6Å; R339-D386 IonicContact NH1-OD1 2.67Å; R339-D386 PolarHBondContact NH1-OD1 3.4Å; R339-D386 IonicContact NH2-OD1 3.11Å; L384-D386 PolarHBondContact O-N 3.38Å; D386-G388 PolarHBondContact O-N 2.88Å | ||
| 387 | D | 55.6 | Low | 56.2 | Low | 78 Ų | 78 | 89.1 Ų | 89.1 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | trans | -61.6 | 102 | 161.8 | -54.8 | -83.9 | 0 | 0 | 0 | 104.8 | R335 E385 I389 | R335-D387 IonicContact CZ-OD2 3.5Å; R335-D387 IonicContact NE-OD2 3.64Å; R335-D387 IonicContact NH1-OD1 3.3Å; R335-D387 IonicContact NH1-OD2 2.91Å; R335-D387 PolarHBondContact NH1-OD2 2.98Å; R335-D387 IonicContact NH2-OD2 3.04Å; E385-D387 VanDerWaalsContact C-N 3.29Å; E385-D387 PolarHBondContact O-N 3.04Å; E385-D387 VanDerWaalsContact O-N 3.08Å; D387-I389 HydrophobicContact CB-CG1 4.45Å; D387-I389 PolarHBondContact O-N 2.96Å | ||
| 388 | G | 52 | Low | 55.2 | Low | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | trans | -64.5 | 58.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D386 Q390 | D386-G388 PolarHBondContact O-N 2.88Å; G388-Q390 PolarHBondContact O-N 3.38Å | ||
| 389 | I | 50.2 | Low | 54.1 | Low | 110 Ų | 110 | 94.1 Ų | 94.1 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | trans | -69.5 | 87.9 | 163.9 | -53.9 | 174.5 | 0 | 0 | 0 | 104.5 | A332 D387 I391 | A332-I389 HydrophobicContact CB-CD1 4.16Å; D387-I389 HydrophobicContact CB-CG1 4.45Å; D387-I389 PolarHBondContact O-N 2.96Å; I389-I391 PolarHBondContact O-N 3.1Å | ||
| 390 | Q | 46.1 | Very low | 53.2 | Low | 184 Ų | 184 | 101 Ų | 101 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | trans | -50.6 | 106.2 | 159.6 | -106.3 | 171.8 | -22.6 | 0 | 0 | 106.4 | G388 D392 | G388-Q390 PolarHBondContact O-N 3.38Å; Q390-D392 VanDerWaalsContact C-N 3.27Å; Q390-D392 PolarHBondContact O-N 3.15Å | ||
| 391 | I | 53.5 | Low | 52.3 | Low | 146 Ų | 146 | 105.7 Ų | 105.7 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | trans | -69.7 | 101.9 | 159 | -59.4 | 172.7 | 0 | 0 | 0 | 103.1 | I389 V393 | I389-I391 PolarHBondContact O-N 3.1Å; I391-V393 VanDerWaalsContact C-N 3.29Å; I391-V393 PolarHBondContact O-N 2.83Å | ||
| 392 | D | 49 | Very low | 51.5 | Low | 131 Ų | 131 | 110.2 Ų | 110.2 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -59.7 | 99.1 | 169.2 | -170.2 | 15.5 | 0 | 0 | 0 | 106.9 | Q390 V394 | Q390-D392 VanDerWaalsContact C-N 3.27Å; Q390-D392 PolarHBondContact O-N 3.15Å; D392-V394 PolarHBondContact O-N 2.93Å | ||
| 393 | V | 51.5 | Low | 50.3 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | trans | -70.9 | 93.4 | 167.7 | 172.6 | 0 | 0 | 0 | 0 | 104.1 | I391 G395 | I391-V393 VanDerWaalsContact C-N 3.29Å; I391-V393 PolarHBondContact O-N 2.83Å; V393-G395 PolarHBondContact O-N 3.35Å | ||
| 394 | V | 48.3 | Very low | 49.2 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -62.2 | 89.8 | 166.6 | 179 | 0 | 0 | 0 | 0 | 106.8 | D392 | D392-V394 PolarHBondContact O-N 2.93Š|
| 395 | G | 42.7 | Very low | 48.7 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | trans | 173.2 | 41.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V393 T397 | V393-G395 PolarHBondContact O-N 3.35Å; G395-T397 PolarHBondContact O-N 3.02Å | ||
| 396 | G | 36.2 | Very low | 47.9 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -82 | 102.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 397 | T | 47.4 | Very low | 47.4 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -149.9 | 126.7 | 143.4 | 89.5 | 0 | 0 | 0 | 0 | 102 | G395 | G395-T397 PolarHBondContact O-N 3.02Š| ||
| 398 | D | 45.7 | Very low | 47 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | cis | -149.4 | 146.9 | 37.2 | -91.9 | -103.8 | 0 | 0 | 0 | 109.2 | ||||
| 399 | S | 45.8 | Very low | 46.9 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -57.7 | 127.2 | 159.8 | 38.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 400 | D | 50.7 | Low | 47 | Very low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -145.9 | 122.4 | 152.5 | -77.9 | -51.8 | 0 | 0 | 0 | 109 | ||||
| 401 | D | 45.7 | Very low | 46.9 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -104.1 | 122 | -170.7 | -173.4 | -92.1 | 0 | 0 | 0 | 108.1 | ||||
| 402 | E | 49 | Very low | 46.4 | Very low | 192 Ų | 192 | 124 Ų | 124 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -172.3 | 130.9 | 163.7 | -74.1 | -56.1 | 143.3 | 0 | 0 | 104.9 | ||||
| 403 | G | 42.4 | Very low | 46.3 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | cis | 154 | 171.2 | 15.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 404 | D | 43.6 | Very low | 45.8 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | 90.6 | 135.2 | 169.7 | -140.8 | 62.2 | 0 | 0 | 0 | 116.6 | ||||
| 405 | S | 48.6 | Very low | 45.5 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 51% | 0.51 | 77% | 0.766 | S | S | . | * | cis | -172.7 | 173.3 | -11.5 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 406 | D | 44.2 | Very low | 45.5 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 95.4 | 111.4 | 157.3 | -62.5 | -31.2 | 0 | 0 | 0 | 122 | ||||
| 407 | A | 46.7 | Very low | 45.9 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | 122 | 100.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 408 | V | 48 | Very low | 45.7 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | 89.4 | 94.4 | 128.2 | -176.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 409 | S | 49.4 | Very low | 45.7 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 84.2 | 154.4 | 122.6 | -61.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 410 | P | 51.4 | Low | 45.7 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -131.4 | 175.1 | -88.3 | 25 | -0.5 | 0 | 0 | 0 | 111.7 | |||||
| 411 | V | 45.2 | Very low | 45.4 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | 166.9 | 113.2 | 134.6 | 151.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 412 | R | 42.7 | Very low | 45.3 | Very low | 208 Ų | 208 | 109.5 Ų | 109.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 86 | 117.1 | 137.6 | -76 | -178.8 | -164.1 | -110.9 | -0 | 122.4 | ||||
| 413 | L | 46.8 | Very low | 45.1 | Very low | 162 Ų | 162 | 107.5 Ų | 107.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 75.3 | 120 | 135.3 | -60.1 | 162.4 | 0 | 0 | 0 | 115.5 | ||||
| 414 | G | 41.2 | Very low | 45.3 | Very low | 75 Ų | 75 | 108.3 Ų | 108.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | 168.6 | 155.2 | 4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 415 | G | 41.7 | Very low | 45.3 | Very low | 89 Ų | 89 | 104.5 Ų | 104.5 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | 80.5 | 128.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 416 | G | 43.8 | Very low | 44.9 | Very low | 79 Ų | 79 | 105 Ų | 105 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | cis | 161.3 | 138.4 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 417 | G | 43.5 | Very low | 44.8 | Very low | 86 Ų | 86 | 101.6 Ų | 101.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 77.5 | 134.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 418 | G | 44.7 | Very low | 44.4 | Very low | 76 Ų | 76 | 101.5 Ų | 101.5 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | cis | 158.5 | 139.3 | 3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 419 | G | 45.5 | Very low | 44.1 | Very low | 89 Ų | 89 | 99.2 Ų | 99.2 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | trans | 75.9 | 131.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 420 | G | 44.9 | Very low | 43.6 | Very low | 78 Ų | 78 | 98.3 Ų | 98.3 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | cis | 138.6 | 125.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | G | 43.9 | Very low | 43.2 | Very low | 89 Ų | 89 | 97.2 Ų | 97.2 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | trans | 64.3 | 148 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 422 | G | 44.5 | Very low | 43 | Very low | 60 Ų | 60 | 97.4 Ų | 97.4 | 62% | 0.619 | 84% | 0.842 | S | S | * | * | cis | 171 | 138.8 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 423 | T | 45 | Very low | 43.2 | Very low | 151 Ų | 151 | 92.6 Ų | 92.6 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | 68.2 | 134.1 | 128 | 64.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 424 | G | 45.2 | Very low | 42.8 | Very low | 80 Ų | 80 | 90.5 Ų | 90.5 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 106.8 | 114.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 425 | G | 44 | Very low | 42.9 | Very low | 83 Ų | 83 | 94.6 Ų | 94.6 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | cis | 112.5 | 117.2 | 28.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 426 | G | 41.5 | Very low | 42.8 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | 101.4 | 104.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 427 | G | 40.6 | Very low | 42.6 | Very low | 84 Ų | 84 | 100.5 Ų | 100.5 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | 83.5 | 107.6 | 109.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 428 | G | 39.7 | Very low | 42.4 | Very low | 88 Ų | 88 | 99 Ų | 99 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | 80.5 | 113.1 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 429 | G | 40.9 | Very low | 42.5 | Very low | 81 Ų | 81 | 103.5 Ų | 103.5 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | 178.2 | 97.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 430 | G | 39 | Very low | 42.3 | Very low | 86 Ų | 86 | 107 Ų | 107 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -73.3 | 141 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 431 | A | 43.8 | Very low | 42.4 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -155.4 | 116.4 | 156 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 432 | S | 40.5 | Very low | 42.4 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -49.2 | 129.6 | 160.7 | 37.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 433 | S | 45.6 | Very low | 42.5 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -138.3 | 119.2 | 154.8 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 434 | S | 40 | Very low | 42.4 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -67.4 | 125.6 | 167.3 | -165.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 435 | L | 43.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 112.6 Ų | 112.6 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -131.1 | 100.3 | 163.7 | -74.7 | 176.3 | 0 | 0 | 0 | 108.5 | ||||
| 436 | H | 38.2 | Very low | 42.4 | Very low | 179 Ų | 179 | 113.4 Ų | 113.4 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -82.9 | 119.4 | 158.7 | -178.9 | 92.1 | 0 | 0 | 0 | 107.3 | ||||
| 437 | C | 41.3 | Very low | 42.4 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -143.9 | 109.4 | 156.7 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 438 | G | 39.4 | Very low | 42.5 | Very low | 56 Ų | 56 | 122.6 Ų | 122.6 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | trans | -73.6 | 144.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 439 | L | 46.1 | Very low | 42.6 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -135.4 | 114.6 | 158.8 | -74 | 175.2 | 0 | 0 | 0 | 107 | ||||
| 440 | D | 40.9 | Very low | 42.8 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -55.6 | 145.8 | 166.1 | -59.9 | -82.3 | 0 | 0 | 0 | 111.1 | ||||
| 441 | G | 47.7 | Very low | 43.1 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -156.5 | 73.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 442 | D | 42.6 | Very low | 43 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -62.7 | 133 | 162.8 | -74.7 | -68.6 | 0 | 0 | 0 | 110.3 | ||||
| 443 | G | 47.1 | Very low | 43.1 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -157.8 | 73.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 444 | D | 42.4 | Very low | 43.1 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -62.9 | 129.2 | 165 | -170.2 | -79.2 | 0 | 0 | 0 | 109.7 | S446 | D444-S446 PolarHBondContact OD1-N 3.35Å; D444-S446 PolarHBondContact OD1-OG 3.16Å; D444-S446 VanDerWaalsContact OD1-OG 3.09Å | ||
| 445 | S | 46.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -145.5 | 82.7 | 160.9 | -80.9 | 0 | 0 | 0 | 0 | 109 | R447 | S445-R447 PolarHBondContact O-N 3.4Š| ||
| 446 | S | 42.1 | Very low | 43 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -30.1 | 122.7 | 156.5 | -67.6 | 0 | 0 | 0 | 0 | 114.6 | D444 | D444-S446 PolarHBondContact OD1-N 3.35Å; D444-S446 PolarHBondContact OD1-OG 3.16Å; D444-S446 VanDerWaalsContact OD1-OG 3.09Å | ||
| 447 | R | 41.6 | Very low | 43.3 | Very low | 254 Ų | 254 | 120.4 Ų | 120.4 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -134.6 | 92.1 | 155.3 | -114.1 | 176.8 | 163.5 | 168.8 | -4.2 | 109.2 | S445 | S445-R447 PolarHBondContact O-N 3.4Š| ||
| 448 | A | 42.6 | Very low | 43.6 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | -74.7 | 135.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 449 | G | 43.5 | Very low | 43.6 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -135 | 94 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 450 | S | 43.6 | Very low | 43.5 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | trans | -74.6 | 131.4 | -177.3 | -163.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 451 | F | 45.8 | Very low | 43.9 | Very low | 208 Ų | 208 | 120.3 Ų | 120.3 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | trans | -130.4 | 116.1 | 157.6 | -147.9 | -92.4 | 0 | 0 | 0 | 108.9 | ||||
| 452 | I | 42.7 | Very low | 43.8 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -103.6 | 136.2 | -177.8 | -58.6 | 169.5 | 0 | 0 | 0 | 106.8 | ||||
| 453 | G | 42.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | 152.9 | 111.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 454 | G | 45.3 | Very low | 43.9 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | 134.4 | 78.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 455 | G | 41.2 | Very low | 44.3 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -99.4 | 171.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 456 | G | 39.7 | Very low | 44.7 | Very low | 83 Ų | 83 | 119.8 Ų | 119.8 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 110.6 | 131.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 457 | S | 45.6 | Very low | 45.8 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | cis | -160.6 | 153.8 | 12.4 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 458 | L | 46.2 | Very low | 45.8 | Very low | 174 Ų | 174 | 114 Ų | 114 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 153.9 | 178.6 | -62.7 | 161.6 | 0 | 0 | 0 | 112.5 | ||||
| 459 | G | 40.6 | Very low | 46.4 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -178.3 | 94.3 | 167 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | S | 42.7 | Very low | 46.3 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -118.7 | 174.6 | 160.1 | -71.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 461 | P | 50.9 | Low | 46.4 | Very low | 125 Ų | 125 | 121 Ų | 121 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | cis | -131.3 | 167.4 | -35.1 | 32.2 | -14.5 | 0 | 0 | 0 | 111.8 | ||||
| 462 | S | 44.5 | Very low | 46.3 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -164.6 | 133 | 153.6 | -170.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 463 | S | 42.6 | Very low | 46.4 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | -27.2 | 133.5 | 161.8 | -179.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 464 | V | 49.6 | Very low | 46.4 | Very low | 143 Ų | 143 | 116 Ų | 116 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -147.9 | 123.5 | 143.8 | 176 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 465 | A | 50.6 | Low | 46.4 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76 | 164.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 466 | P | 54.4 | Low | 46.5 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 152 | 175.9 | 35.8 | -31.5 | 0 | 0 | 0 | 112.1 | ||
| 467 | P | 65.4 | Low | 46.6 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.7 | 174.4 | 34.4 | -29.3 | 0 | 0 | 0 | 112.4 | ||
| 468 | S | 41.9 | Very low | 46.7 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 135.2 | 172.1 | 36.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 469 | M | 55 | Low | 46.6 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -151.6 | 99.7 | 161 | -75.5 | -70.9 | 150.1 | 0 | 0 | 106.4 | ||||
| 470 | L | 42.4 | Very low | 46.7 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | 51.3 | 101 | 95 | -71.6 | 163.7 | 0 | 0 | 0 | 114.9 | |||||
| 471 | S | 46.2 | Very low | 47.1 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | 159.7 | 136.4 | 98.4 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 472 | N | 43.4 | Very low | 46.6 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 85.2 | 120.5 | 146 | -58.9 | -7.8 | 0 | 0 | 0 | 122.5 | ||||
| 473 | G | 43.7 | Very low | 47.3 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 124.6 | 67.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 474 | A | 42 | Very low | 47.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | 76.1 | 108.5 | 92.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 475 | V | 45.1 | Very low | 46.8 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 75.1 | 129.2 | 138.8 | -171.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 476 | Q | 44.6 | Very low | 46.4 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -164.2 | 142.1 | 21.5 | -132 | 152.9 | 19.5 | 0 | 0 | 110.7 | ||||
| 477 | F | 40.4 | Very low | 45.7 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | 41.9 | 124.7 | 139.3 | -86.2 | -99.4 | 0 | 0 | 0 | 123.8 | ||||
| 478 | G | 47.9 | Very low | 44.5 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | 177.1 | 123.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 479 | K | 44 | Very low | 44.6 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -125.9 | 155.8 | -147.5 | 164.6 | 162.8 | 175.1 | 172.5 | 0 | 112 | ||||
| 480 | L | 44.5 | Very low | 44.1 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 82.1 | 135.7 | 166.6 | -64.6 | 134.8 | 0 | 0 | 0 | 116.9 | ||||
| 481 | E | 49.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | cis | -166.1 | 149.3 | -4.1 | -82.5 | -88.6 | 116.2 | 0 | 0 | 106.4 | ||||
| 482 | P | 41.9 | Very low | 43.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -108.3 | 137.9 | 163.8 | 35 | -23.1 | 0 | 0 | 0 | 111.7 | ||||
| 483 | M | 59.3 | Low | 44 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -116.5 | 108.3 | 169.8 | -82.6 | -74.9 | 172.9 | 0 | 0 | 109.4 | ||||
| 484 | D | 38.5 | Very low | 44 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -93.1 | 151.8 | 163.6 | -77.6 | -55 | 0 | 0 | 0 | 110.2 | ||||
| 485 | G | 43 | Very low | 43.9 | Very low | 75 Ų | 75 | 153.7 Ų | 153.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 123.5 | 133.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 486 | N | 40.8 | Very low | 43.6 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | cis | -170.4 | 144.9 | 13.3 | -163.1 | 34.1 | 0 | 0 | 0 | 106.9 | ||||
| 487 | E | 40.7 | Very low | 43.4 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 31.4 | 142.9 | 135.2 | -62.5 | 167.5 | 167.9 | 0 | 0 | 119.5 | ||||
| 488 | S | 40.2 | Very low | 43.5 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | cis | 180 | 152.5 | -1.6 | -80.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 489 | E | 43.1 | Very low | 43.2 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | 44.8 | 107.1 | 149.1 | -68 | 168.5 | 100 | 0 | 0 | 120.1 | ||||
| 490 | E | 46 | Very low | 43.8 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | -157.8 | 105.4 | 129 | -160.8 | 138.4 | -146.6 | 0 | 0 | 113.9 | |||||
| 491 | R | 45 | Very low | 43.6 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 35.7 | 118.1 | 134.6 | -63.8 | -176.1 | -86.5 | -155.2 | -7.7 | 120.9 | ||||
| 492 | D | 38.6 | Very low | 43.1 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | 14.2 | 116.5 | 126.1 | -69.6 | -54.8 | 0 | 0 | 0 | 117.9 | |||||
| 493 | R | 45.9 | Very low | 43 | Very low | 212 Ų | 212 | 157.8 Ų | 157.8 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 150.6 | 107.3 | 156.8 | -85.1 | 166.4 | -149.9 | 109.9 | -11.5 | 104.6 | ||||
| 494 | E | 42.4 | Very low | 42.2 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | -163.1 | 130.7 | 69.9 | -88.6 | 175.9 | 129.3 | 0 | 0 | 109.8 | |||||
| 495 | R | 39.8 | Very low | 42.1 | Very low | 238 Ų | 238 | 150.5 Ų | 150.5 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -75 | 159 | 154.4 | -72.7 | 171.6 | -124.8 | -146.2 | -3.6 | 108.1 | ||||
| 496 | D | 39.4 | Very low | 42 | Very low | 164 Ų | 164 | 157 Ų | 157 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 88.6 | 95.1 | 170.3 | -70.4 | -30 | 0 | 0 | 0 | 118.5 | ||||
| 497 | S | 39.8 | Very low | 41.7 | Very low | 120 Ų | 120 | 155 Ų | 155 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | -157.1 | 148.2 | 124.3 | -121.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 498 | P | 44.3 | Very low | 41.6 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -99.4 | 156.3 | -144.9 | 36.9 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 499 | K | 41.6 | Very low | 41.7 | Very low | 190 Ų | 190 | 158.7 Ų | 158.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 142.2 | 167.2 | -65.3 | 167.8 | -178.8 | 165.9 | 0 | 110.7 | L501 | K499-L501 PolarHBondContact O-N 2.91Å; K499-L501 VanDerWaalsContact O-N 3.1Å | ||
| 500 | P | 56.2 | Low | 41.5 | Very low | 133 Ų | 133 | 159 Ų | 159 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -71 | 106.4 | 165.2 | 28.1 | -30.3 | 0 | 0 | 0 | 110.4 | ||||
| 501 | L | 39.6 | Very low | 41.4 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 156.1 | 144.2 | -50.8 | 169.3 | 0 | 0 | 0 | 106.6 | K499 | K499-L501 PolarHBondContact O-N 2.91Å; K499-L501 VanDerWaalsContact O-N 3.1Å | ||
| 502 | L | 39.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | cis | 174.8 | 137.5 | 39.6 | -178.9 | 60.8 | 0 | 0 | 0 | 105.2 | P504 | L502-P504 HydrophobicContact CD1-CG 4.14Š| ||
| 503 | F | 40.2 | Very low | 40.9 | Very low | 214 Ų | 214 | 156.5 Ų | 156.5 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -158.7 | 114.6 | 134 | -93.5 | -63.9 | 0 | 0 | 0 | 108.6 | ||||
| 504 | P | 41.8 | Very low | 40.3 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | trans | -107 | 165.5 | -176.3 | 39.8 | -31.5 | 0 | 0 | 0 | 113 | L502 | L502-P504 HydrophobicContact CD1-CG 4.14Š| ||
| 505 | A | 36.8 | Very low | 39.8 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 71.6 | 113.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 506 | K | 39.4 | Very low | 39.8 | Very low | 210 Ų | 210 | 144.1 Ų | 144.1 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -7.5 | 128.8 | 133 | -68.8 | 166.6 | 173.7 | 169.8 | 0 | 116.1 | ||||
| 507 | A | 35.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 177.1 | 167.9 | 124.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 508 | F | 38 | Very low | 39.6 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 82.4 | 122.8 | 172.8 | -74 | -123.1 | 0 | 0 | 0 | 114.9 | ||||
| 509 | H | 42.6 | Very low | 39.2 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | cis | -158 | 139 | 22.4 | -125.2 | 25.4 | 0 | 0 | 0 | 111.7 | ||||
| 510 | Q | 38.8 | Very low | 39.3 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -98.8 | 112.9 | 167.8 | 169.4 | 162.5 | 39.7 | 0 | 0 | 108.3 | ||||
| 511 | L | 43.7 | Very low | 38.4 | Very low | 146 Ų | 146 | 144 Ų | 144 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -165.9 | 140.6 | 167.1 | -71.2 | -176.2 | 0 | 0 | 0 | 105.1 | ||||
| 512 | N | 35.5 | Very low | 38.4 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -161 | 151.8 | 8 | -168.4 | 3.5 | 0 | 0 | 0 | 108.2 | ||||
| 513 | L | 38.6 | Very low | 38.5 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 71% | 0.707 | 77% | 0.77 | S | S | * | * | trans | -69.9 | 167.8 | 168.7 | -124.8 | 64.2 | 0 | 0 | 0 | 111 | ||||
| 514 | Q | 33.3 | Very low | 38.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 87.9 | 133.3 | 154.4 | -116.7 | 81.3 | 18.2 | 0 | 0 | 121.3 | ||||
| 515 | S | 31.9 | Very low | 38.8 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 79.8 | 139.9 | 160.2 | 79.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 516 | S | 38.4 | Very low | 39 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -152.4 | 138.7 | 19.7 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 517 | Q | 34 | Very low | 39.2 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -57.8 | 145.5 | 159.2 | -165.7 | -177.5 | 81 | 0 | 0 | 110.7 | ||||
| 518 | Q | 41.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 180 | 99.7 | 152.6 | -99.4 | 166.8 | 43.4 | 0 | 0 | 108 | ||||
| 519 | H | 35.9 | Very low | 39.6 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | 74 | 153.1 | 85.8 | -90.3 | -86.4 | 0 | 0 | 0 | 115.6 | |||||
| 520 | H | 43.1 | Very low | 39.6 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 90.9 | 111.6 | -177.2 | -40.2 | -63.4 | 0 | 0 | 0 | 114.5 | ||||
| 521 | G | 38.3 | Very low | 39.7 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | 134.4 | 127.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 522 | L | 38.3 | Very low | 39.5 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 76 | 140 | 159.7 | -64.2 | 137.6 | 0 | 0 | 0 | 117.4 | ||||
| 523 | V | 42.7 | Very low | 39.8 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | cis | -159.5 | 126.7 | 21.6 | 113.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 524 | V | 41.2 | Very low | 39.9 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 61.1 | 121.8 | 102.8 | -175.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 525 | G | 46.6 | Very low | 40.3 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 178.3 | 84.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 526 | Q | 40.6 | Very low | 40.8 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 157.6 | 176.6 | -74.4 | 172.2 | -19 | 0 | 0 | 113.6 | ||||
| 527 | G | 44.4 | Very low | 40.9 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -176.3 | 93.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 528 | Q | 40 | Very low | 41.4 | Very low | 191 Ų | 191 | 129 Ų | 129 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -81 | 156.8 | 178.8 | -64.1 | 169.1 | 6.4 | 0 | 0 | 111.7 | ||||
| 529 | G | 42.4 | Very low | 41.4 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -179.2 | 116.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 530 | S | 41.7 | Very low | 41.7 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -105 | 164.4 | -160.5 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 531 | G | 41.2 | Very low | 41.6 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 113.3 | 103.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 532 | S | 40.7 | Very low | 41.9 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | 73.8 | 125.3 | 69.3 | -160.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 533 | G | 41.2 | Very low | 42.1 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 151.8 | 109.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 534 | H | 40.1 | Very low | 42 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 165.1 | 179.3 | -75.2 | 60.6 | 0 | 0 | 0 | 114.3 | ||||
| 535 | G | 41.4 | Very low | 41.9 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 148.2 | 91.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 536 | H | 42.3 | Very low | 41.8 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | 59.4 | 122.1 | 93.6 | -87.8 | 49.3 | 0 | 0 | 0 | 117.1 | |||||
| 537 | G | 42.1 | Very low | 41.6 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 138.3 | 106.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 538 | H | 43.4 | Very low | 41.6 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 61.4 | 151.3 | 131.9 | -71.8 | 74.8 | 0 | 0 | 0 | 121 | ||||
| 539 | Q | 41.8 | Very low | 41.7 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 77% | 0.774 | S | S | * | * | cis | 175.4 | 148.8 | -24 | -105.5 | -156.3 | 66.9 | 0 | 0 | 104.5 | ||||
| 540 | H | 42.5 | Very low | 41.5 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 67.9 | 146 | 162.7 | -73.4 | 66.1 | 0 | 0 | 0 | 117.4 | ||||
| 541 | N | 41.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | cis | -166.3 | 145.8 | 29.1 | -147.8 | 8.8 | 0 | 0 | 0 | 112.6 | ||||
| 542 | H | 44.5 | Very low | 41.1 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | trans | 63.5 | 128.6 | 133.4 | -84 | -8.8 | 0 | 0 | 0 | 127.9 | ||||
| 543 | H | 41.6 | Very low | 40.8 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | trans | 68 | 137.1 | 139.5 | -69.1 | 97.1 | 0 | 0 | 0 | 118 | ||||
| 544 | Q | 40.8 | Very low | 40.8 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | -169.1 | 165.1 | 37.9 | -134.5 | 173.6 | 61.4 | 0 | 0 | 111.5 | ||||
| 545 | H | 39.9 | Very low | 40.7 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -55.3 | 144.7 | -178.2 | -84.1 | -121.5 | 0 | 0 | 0 | 118 | ||||
| 546 | H | 42.9 | Very low | 40.3 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | -159.6 | 127.4 | 126.1 | -116.2 | 54.1 | 0 | 0 | 0 | 113.2 | |||||
| 547 | L | 38.2 | Very low | 39.9 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | trans | -81.1 | 136.1 | 172.8 | -76.7 | 155.5 | 0 | 0 | 0 | 109.8 | ||||
| 548 | H | 42.9 | Very low | 39.7 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -147 | 126.3 | 147.9 | -102.4 | 158.7 | 0 | 0 | 0 | 111.2 | ||||
| 549 | H | 41.9 | Very low | 39.4 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 139.4 | 172.7 | -73.1 | -95.1 | 0 | 0 | 0 | 110.7 | ||||
| 550 | G | 38.8 | Very low | 39 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -166.7 | 99.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 551 | S | 35.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -61 | 129.4 | 172.6 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 552 | A | 39.5 | Very low | 38.8 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -153.1 | 97.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A554 | A552-A554 PolarHBondContact O-N 3.17Š| ||
| 553 | S | 34.6 | Very low | 38.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -65.2 | 113.8 | 157.6 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 554 | A | 41 | Very low | 38.6 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -132.6 | 118.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A552 | A552-A554 PolarHBondContact O-N 3.17Š| ||
| 555 | S | 38.7 | Very low | 38.5 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 53.1 | 106.9 | 143.8 | -143.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 556 | A | 32.9 | Very low | 38.5 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | 53.2 | 121.3 | 73.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 557 | A | 34 | Very low | 38.4 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 76.9 | 98.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 558 | A | 36.4 | Very low | 38.2 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -158.2 | 148.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 559 | A | 37.8 | Very low | 38.2 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 88.3 | 65.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 560 | V | 33.9 | Very low | 37.8 | Very low | 146 Ų | 146 | 121.4 Ų | 121.4 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -77.1 | 150.5 | 131.4 | -104.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 561 | A | 40.6 | Very low | 37.7 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 95.4 | 96.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 562 | N | 38.9 | Very low | 38 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | -172 | 108 | 112.2 | -101.8 | -25.3 | 0 | 0 | 0 | 110.7 | |||||
| 563 | L | 33.9 | Very low | 38.2 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -100.9 | 106.4 | 166.1 | 179.2 | 66 | 0 | 0 | 0 | 106.3 | ||||
| 564 | V | 47.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -117.8 | 129.7 | 165.9 | 170.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 565 | H | 40.4 | Very low | 38.9 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | trans | -52.3 | 140.9 | -176.3 | -73.5 | -139.5 | 0 | 0 | 0 | 113.1 | ||||
| 566 | Q | 38.6 | Very low | 38.9 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -157.6 | 125.4 | 139.1 | -107.6 | 169.3 | 87.5 | 0 | 0 | 110.1 | ||||
| 567 | T | 40.3 | Very low | 39.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -96 | 132.1 | -169.4 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 568 | S | 35.6 | Very low | 40.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 71.4 | 160 | 148.8 | -53.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 569 | P | 41.9 | Very low | 40.3 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -136.7 | 163.3 | 8.6 | 35 | -13.6 | 0 | 0 | 0 | 117.6 | ||||
| 570 | I | 34.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 99.4 | 145 | -63.5 | 158.3 | 0 | 0 | 0 | 118.2 | ||||
| 571 | S | 36.4 | Very low | 41.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -94.1 | 103.3 | 160.4 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | R573 | S571-R573 PolarHBondContact O-N 2.81Š| ||
| 572 | M | 42.3 | Very low | 41.5 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | -54.1 | 120.6 | 162.4 | -81 | -174.4 | -70.8 | 0 | 0 | 109 | R574 | M572-R574 PolarHBondContact O-N 3.48Š| ||
| 573 | R | 43.8 | Very low | 41.8 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -57.4 | 105.9 | 169.8 | -67.9 | -171.3 | -176.9 | -167.6 | 3.7 | 108.6 | S571 S575 | S571-R573 PolarHBondContact O-N 2.81Å; R573-S575 PolarHBondContact O-N 3Å; R573-S575 VanDerWaalsContact O-N 3.13Å | ||
| 574 | R | 45.2 | Very low | 42.5 | Very low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 75% | 0.746 | S | S | * | * | trans | -65.8 | 108.6 | 161.3 | -85 | 179.1 | 176.8 | -108.5 | 0.4 | 107.7 | M572 | M572-R574 PolarHBondContact O-N 3.48Š| ||
| 575 | S | 43.2 | Very low | 42.6 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -55 | 141.5 | 160 | 42 | 0 | 0 | 0 | 0 | 109.4 | R573 P577 | R573-S575 PolarHBondContact O-N 3Å; R573-S575 VanDerWaalsContact O-N 3.13Å; S575-P577 WeakPolarHBondContact O-CD 3.43Å | ||
| 576 | N | 38.9 | Very low | 42.7 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 115.6 | 176.8 | -176.5 | 39.3 | 0 | 0 | 0 | 109.3 | F578 | N576-F578 PolarHBondContact O-N 2.68Š| ||
| 577 | P | 47 | Very low | 42.7 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 19.3 | -177.1 | 32.2 | -34.5 | 0 | 0 | 0 | 113.5 | S575 | S575-P577 WeakPolarHBondContact O-CD 3.43Š|
| 578 | F | 45.1 | Very low | 42.9 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 18 | -178.7 | -71.5 | -76.4 | 0 | 0 | 0 | 113.1 | N576 I580 | N576-F578 PolarHBondContact O-N 2.68Å; F578-I580 PolarHBondContact O-N 3.45Å |
| 579 | S | 41.5 | Very low | 43.2 | Very low | 52 Ų | 52 | 149.4 Ų | 149.4 | 36% | 0.364 | 78% | 0.779 | S | S | . | * | trans | -78.5 | 118.7 | 165.4 | -151.6 | 0 | 0 | 0 | 0 | 108.6 | E581 S582 | S579-E581 PolarHBondContact O-N 3.49Å; S579-S582 PolarHBondContact O-N 3.01Å; S579-S582 VanDerWaalsContact O-N 3.1Å; S579-S582 PolarHBondContact O-OG 3.1Å | ||
| 580 | I | 49 | Very low | 43.3 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -61.5 | -8.4 | 176.8 | -65.2 | 172.5 | 0 | 0 | 0 | 111.5 | F578 | F578-I580 PolarHBondContact O-N 3.45Š|
| 581 | E | 45.4 | Very low | 43.8 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -86.8 | -4.3 | 175.2 | -71.8 | -179.9 | 159.6 | 0 | 0 | 115.2 | S579 | S579-E581 PolarHBondContact O-N 3.49Š|
| 582 | S | 42.7 | Very low | 44.3 | Very low | 77 Ų | 77 | 153.4 Ų | 153.4 | 54% | 0.538 | 78% | 0.78 | S | S | . | * | G | 310 helix | trans | -101.3 | 5 | 176.9 | 38.6 | 0 | 0 | 0 | 0 | 115 | S579 | S579-S582 PolarHBondContact O-N 3.01Å; S579-S582 VanDerWaalsContact O-N 3.1Å; S579-S582 PolarHBondContact O-OG 3.1Å |
| 583 | L | 46.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -110.8 | 6.4 | 178.9 | -80.4 | 162.6 | 0 | 0 | 0 | 113.8 | ||
| 584 | L | 48.7 | Very low | 44.4 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -117.9 | 17 | -176.5 | -91.3 | 150.3 | 0 | 0 | 0 | 113.7 | ||
| 585 | F | 47.4 | Very low | 44.4 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.1 | 20.7 | -174.3 | -118.2 | -84.8 | 0 | 0 | 0 | 115.5 | ||
| 586 | N | 42.6 | Very low | 44.5 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -138 | 36.7 | 177.3 | -79.7 | -29.4 | 0 | 0 | 0 | 112.7 | ||
| 587 | N | 39.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -147.5 | 72.4 | 171.9 | -96.6 | -41.1 | 0 | 0 | 0 | 109.4 | ||||
| 588 | T | 43.5 | Very low | 44.7 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 100% | 1.35 | 78% | 0.784 | S | S | * | * | trans | -162.6 | 0 | 155.8 | 51 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 588 of 588 residues in 95.1 ms
(Link to these results)