| 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 | 41.1 | Very low | 39.6 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 100% | 1.182 | 79% | 0.786 | S | S | * | * | 0 | 83.8 | 0 | -48.5 | 172.2 | -166.6 | 0 | 0 | 105.1 | |||||
| 2 | A | 37.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | 52.4 | 113.4 | 63.3 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 3 | T | 41.3 | Very low | 38.8 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -147.4 | 134 | 10.7 | 42.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | S | 39.5 | Very low | 39 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | 58.2 | 111.9 | 87.1 | -59.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 5 | L | 42.8 | Very low | 39.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 70.8 | 139.2 | 78.7 | -70.6 | 170.6 | 0 | 0 | 0 | 111.7 | |||||
| 6 | L | 38.5 | Very low | 40.1 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | cis | -147.8 | 173.1 | 4 | -90.8 | 139.8 | 0 | 0 | 0 | 106.6 | ||||
| 7 | G | 36.5 | Very low | 40.1 | Very low | 61 Ų | 61 | 139.4 Ų | 139.4 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | 97 | 120.9 | 28.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | E | 34.8 | Very low | 39.9 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 177.2 | 123.4 | 155.4 | -96.7 | -83.2 | 82.9 | 0 | 0 | 111 | ||||
| 9 | E | 36.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 65% | 0.654 | 80% | 0.801 | S | S | * | * | trans | -107.6 | 149.2 | 153.2 | -114.3 | -117.4 | 127 | 0 | 0 | 104.9 | R11 | E9-R11 IonicContact OE2-NE 3.91Š| ||
| 10 | P | 49.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -143.1 | 156 | 123.1 | 32.6 | -17.5 | 0 | 0 | 0 | 115.4 | |||||
| 11 | R | 37.7 | Very low | 39.6 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 153.8 | 175.6 | -59 | -175.2 | 162.9 | -144.7 | -11.6 | 111.6 | E9 | E9-R11 IonicContact OE2-NE 3.91Š| ||
| 12 | L | 36.4 | Very low | 39.4 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | 173.1 | 134.9 | 126.7 | -94.9 | 162.3 | 0 | 0 | 0 | 112.8 | |||||
| 13 | G | 32.9 | Very low | 39.5 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | 88.1 | 144.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 14 | S | 41.2 | Very low | 39.2 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 69.4 | 110 | 158.2 | 63.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 15 | T | 46.2 | Very low | 39.2 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -71.6 | 149.4 | 146.4 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | P | 49.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -138.4 | 156.3 | 122.1 | 35.6 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 17 | L | 40.2 | Very low | 38.8 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -74 | 122.6 | 172.3 | -89.9 | 154.4 | 0 | 0 | 0 | 111.6 | ||||
| 18 | A | 36.6 | Very low | 38.6 | Very low | 83 Ų | 83 | 138.9 Ų | 138.9 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | -162.9 | 128.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | M | 36.6 | Very low | 38.5 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | 35.4 | 130.6 | 142.7 | -49.6 | -166.5 | -70.5 | 0 | 0 | 119 | ||||
| 20 | L | 40.5 | Very low | 38.9 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | -166 | 178.6 | 68.1 | -155.2 | 61.1 | 0 | 0 | 0 | 112.6 | |||||
| 21 | A | 36.4 | Very low | 38.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -75.1 | 171.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 22 | A | 37.2 | Very low | 38.3 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -58.6 | 142.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 23 | T | 38.7 | Very low | 38.2 | Very low | 141 Ų | 141 | 128 Ų | 128 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -119.8 | 75.1 | 163.5 | 44 | 0 | 0 | 0 | 0 | 110.5 | N25 | T23-N25 PolarHBondContact O-N 3.38Š| ||
| 24 | C | 36.4 | Very low | 39.1 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -66.1 | 118.1 | 160.8 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | N | 37.7 | Very low | 38.6 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 145 | -175.2 | -147.8 | -13.9 | 0 | 0 | 0 | 111.5 | T23 | T23-N25 PolarHBondContact O-N 3.38Š| ||
| 26 | K | 37.5 | Very low | 37.8 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -126.8 | 107 | -155 | 173.2 | -167 | 174.8 | -176 | 0 | 111.7 | ||||
| 27 | I | 35.7 | Very low | 36.9 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | trans | -150.9 | 128.6 | 157.9 | -43.8 | 175.5 | 0 | 0 | 0 | 106.8 | ||||
| 28 | G | 31.9 | Very low | 36.5 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | -173.5 | 124.8 | -10 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 29 | S | 34 | Very low | 36.2 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 160.5 | 174 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | P | 44 | Very low | 35.9 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -142.4 | 148 | 73.1 | 35.5 | -17.4 | 0 | 0 | 0 | 116 | |||||
| 31 | S | 34.3 | Very low | 35.5 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 165.1 | 154.5 | -46.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | P | 41 | Very low | 35.3 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -131.6 | 171.4 | 117.2 | 35.8 | -27.2 | 0 | 0 | 0 | 114.4 | |||||
| 33 | S | 33.1 | Very low | 35.2 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -89.5 | 174 | -160.1 | -45.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 34 | P | 53.4 | Low | 34.9 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 161.4 | -159.9 | 38 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 35 | S | 29.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -157 | 125.4 | 154.6 | -80.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 36 | A | 30.7 | Very low | 34.6 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | 11.6 | 168.3 | 157 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 37 | I | 30.2 | Very low | 34.3 | Very low | 158 Ų | 158 | 124 Ų | 124 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 85.7 | 128.4 | 155.5 | -12.7 | 179.5 | 0 | 0 | 0 | 121.2 | ||||
| 38 | S | 31.4 | Very low | 34 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | 72.3 | 109.1 | 148.1 | 45 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 39 | D | 29.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 39.9 | 111.8 | 119.6 | -47.1 | -47 | 0 | 0 | 0 | 120.1 | |||||
| 40 | N | 31.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | -168.3 | 165.7 | 97.3 | -127 | -32.2 | 0 | 0 | 0 | 114.9 | |||||
| 41 | S | 31.9 | Very low | 34.2 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -52.3 | 151.8 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 42 | S | 33.4 | Very low | 34 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | -175.2 | 146.8 | 59.6 | 53.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 43 | S | 33.5 | Very low | 33.5 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | 13.8 | 116.8 | 148.8 | 172 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 44 | F | 33.6 | Very low | 33.3 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | -165.7 | 147.6 | 116.8 | -70.5 | -65.9 | 0 | 0 | 0 | 107.4 | |||||
| 45 | G | 32.4 | Very low | 32.1 | Very low | 63 Ų | 63 | 143.3 Ų | 143.3 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | cis | 174.8 | 104.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 46 | K | 34.7 | Very low | 32.1 | Very low | 220 Ų | 220 | 142 Ų | 142 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | trans | 70 | 125 | 153.7 | -54.6 | 171.9 | -174.4 | 176.2 | 0 | 119.5 | ||||
| 47 | G | 31.6 | Very low | 32.1 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -179.4 | 50.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 48 | F | 29.7 | Very low | 32.1 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 124.7 | 176.7 | -100.8 | -132.9 | 0 | 0 | 0 | 110.4 | ||||
| 49 | H | 39.1 | Very low | 31.9 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.667 | 82% | 0.816 | S | S | * | * | 79.3 | 165.6 | 78.3 | -68.6 | -1.6 | 0 | 0 | 0 | 113.8 | |||||
| 50 | P | 49 | Very low | 32.2 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | cis | -135.4 | -178.6 | -35.8 | 35.1 | -18.5 | 0 | 0 | 0 | 112.5 | ||||
| 51 | W | 24.4 | Very low | 32.2 | Very low | 261 Ų | 261 | 142.6 Ų | 142.6 | 99% | 0.989 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -144.8 | 97 | 143.5 | -122.3 | 42.7 | 0 | 0 | 0 | 111.6 | ||
| 52 | K | 30.3 | Very low | 32.1 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | 178.2 | 102 | 153.1 | -102.4 | 167.3 | -171 | -179.6 | 0 | 109 | ||||
| 53 | R | 30.6 | Very low | 32 | Very low | 253 Ų | 253 | 142.2 Ų | 142.2 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | trans | -93.7 | 123 | 156.4 | -76.7 | -174.6 | -174.4 | 156.2 | 3.1 | 107.8 | ||||
| 54 | A | 28.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -83.4 | 135.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 55 | A | 29.8 | Very low | 32 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -94.5 | 107.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 56 | A | 29.4 | Very low | 32 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -129.8 | 116.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 57 | S | 30.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 136 Ų | 136 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -73.4 | 128.1 | -175 | 29 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 58 | S | 28.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -86.9 | 121.3 | 166.2 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 59 | C | 28.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 86% | 0.858 | 83% | 0.829 | S | S | * | * | trans | -105.8 | 128.7 | 156 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | S | 35.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 84% | 0.838 | S | S | * | * | trans | -81.5 | 130.2 | -179.7 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 61 | L | 31.6 | Very low | 30.4 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | trans | -144.7 | 118.8 | 147 | -77.3 | -176.2 | 0 | 0 | 0 | 108.4 | ||||
| 62 | G | 29.1 | Very low | 30.9 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | trans | -90.6 | 142.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 63 | S | 31.9 | Very low | 31 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | -166.6 | 125.2 | 152 | -80.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 64 | G | 36.9 | Very low | 31 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -77.5 | 155.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 65 | L | 29.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -134.2 | 128.8 | 159.4 | -74.5 | 177.7 | 0 | 0 | 0 | 109.4 | ||||
| 66 | S | 31.6 | Very low | 31.2 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | -75.3 | 154.1 | 173.2 | 30 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 67 | S | 31 | Very low | 31.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -50.8 | 127.9 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 68 | F | 31.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 126.2 Ų | 126.2 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -143.5 | 137.9 | 139.4 | 0.2 | -89.7 | 0 | 0 | 0 | 110.1 | ||||
| 69 | G | 31.7 | Very low | 31.2 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -84.2 | 155.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 70 | V | 29.5 | Very low | 31.2 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -92.2 | 121.4 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 71 | S | 28.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -114.2 | 148.6 | 161.5 | -87 | 0 | 0 | 0 | 0 | 111 | ||||
| 72 | R | 34 | Very low | 31.2 | Very low | 229 Ų | 229 | 127.2 Ų | 127.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 161.6 | -177.7 | -78.4 | 175.5 | 163.3 | -176.7 | -5.2 | 112.5 | ||||
| 73 | N | 32.9 | Very low | 31.1 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | 111.7 | 147.8 | 172.4 | -62.6 | -10.4 | 0 | 0 | 0 | 110.9 | ||||
| 74 | G | 30.6 | Very low | 31.2 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | -176.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 75 | S | 33.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | -63.1 | 148.5 | -171 | -43.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 76 | G | 29.2 | Very low | 31 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 162.5 | 95.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 77 | I | 29.7 | Very low | 31.2 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | 38.1 | 157.9 | 136.2 | 65.2 | 171.7 | 0 | 0 | 0 | 124.7 | ||||
| 78 | A | 28.9 | Very low | 31.3 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 71.8 | 105.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 79 | S | 30.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | 71.2 | 107.7 | 68.1 | 73 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 80 | D | 28.5 | Very low | 31.4 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | -171.5 | 172.6 | 109.7 | -89.1 | -27.3 | 0 | 0 | 0 | 112.7 | |||||
| 81 | S | 33.4 | Very low | 31.6 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -104.4 | -163.6 | -155.1 | -61.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 82 | F | 32.5 | Very low | 31.8 | Very low | 207 Ų | 207 | 121.5 Ų | 121.5 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | 79.2 | 119.4 | 178.8 | -41.8 | -68.7 | 0 | 0 | 0 | 113 | ||||
| 83 | G | 28.5 | Very low | 31.6 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | cis | 112.6 | 147.3 | 26.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 84 | N | 33.8 | Very low | 31.4 | Very low | 140 Ų | 140 | 117 Ų | 117 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | cis | -166.5 | 153.3 | -6 | -169.3 | 13.3 | 0 | 0 | 0 | 108.5 | ||||
| 85 | N | 34.7 | Very low | 31.8 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 154.8 | 158 | -80.3 | -28 | 0 | 0 | 0 | 123.8 | ||||
| 86 | G | 28.3 | Very low | 31.7 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 115.5 | 79.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 87 | S | 34.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 92.6 | 121 | 68.9 | -70.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 88 | S | 32.8 | Very low | 32 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | 61.7 | 127.5 | 141.7 | -53 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 89 | G | 29.2 | Very low | 32.3 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -179.1 | 96.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 90 | S | 36.5 | Very low | 32.4 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -116.7 | 120.6 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 91 | S | 33.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 177.5 | 128.7 | 158.3 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 92 | A | 31.7 | Very low | 32.3 | Very low | 80 Ų | 80 | 121 Ų | 121 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | 96.7 | 162.5 | 53.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 93 | F | 30 | Very low | 32.2 | Very low | 191 Ų | 191 | 117.1 Ų | 117.1 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | 75.7 | 152.3 | -176.5 | -42.1 | -66.2 | 0 | 0 | 0 | 116.9 | ||||
| 94 | S | 30.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -167 | 163.8 | -42.2 | -103.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | L | 38 | Very low | 32 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 148.6 | -176.7 | -62.7 | 164.4 | 0 | 0 | 0 | 113.9 | ||||
| 96 | T | 30.6 | Very low | 31.7 | Very low | 147 Ų | 147 | 120 Ų | 120 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -150.6 | 139.6 | 148.4 | -16 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | S | 38.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -100.2 | 153.5 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 98 | G | 27.9 | Very low | 31.6 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -159.1 | 122 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 99 | T | 35.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -119.9 | 138.6 | 177.7 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 100 | S | 31.3 | Very low | 31.5 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -165.9 | 135.2 | 156.1 | 41.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 101 | S | 32.4 | Very low | 31 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 52.5 | 144.2 | 144.2 | -47.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 102 | G | 28.6 | Very low | 30.7 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | cis | 128.4 | 135.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 103 | S | 30.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | 78.3 | 162.3 | 172.3 | 80.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 104 | H | 30 | Very low | 30.4 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | cis | -172.6 | 179.3 | -46.2 | -149.6 | -104.3 | 0 | 0 | 0 | 109.3 | ||||
| 105 | F | 27 | Very low | 30.3 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 150.1 | 173.5 | -63.2 | -87.7 | 0 | 0 | 0 | 118 | ||||
| 106 | G | 28.4 | Very low | 29.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | 179.1 | 156.4 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 107 | N | 33.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 167.1 | -171.7 | -66.9 | -19.3 | 0 | 0 | 0 | 115.8 | ||||
| 108 | D | 28.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -156.4 | 177.1 | 135.8 | -98.6 | -31.6 | 0 | 0 | 0 | 113.6 | ||||
| 109 | Y | 29.7 | Very low | 29.3 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -145.9 | 170 | -151 | 65.5 | -97.7 | 0 | 0 | 0 | 112.1 | ||||
| 110 | S | 30.3 | Very low | 28.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -164.3 | -148.8 | -3.6 | -153.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | V | 26.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 62% | 0.618 | 77% | 0.765 | S | S | * | * | trans | 115.3 | 118.8 | 134.7 | -176.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 112 | F | 25.9 | Very low | 28 | Very low | 184 Ų | 184 | 132 Ų | 132 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | 55.8 | 156.8 | 155.9 | -62.7 | -36.1 | 0 | 0 | 0 | 122.9 | ||||
| 113 | Q | 28.9 | Very low | 28.2 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | cis | -162.9 | 168.8 | -32.4 | -170.6 | 156.5 | 0.1 | 0 | 0 | 110.3 | ||||
| 114 | A | 26.3 | Very low | 28.4 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | trans | -80.2 | -179.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 115 | S | 29.6 | Very low | 28.7 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 92 | 141.2 | 160.2 | -56.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 116 | S | 27.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -168.8 | 149.1 | -2.4 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 117 | N | 28.6 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 60 | 121.2 | 147.7 | -115.2 | 4.2 | 0 | 0 | 0 | 124 | ||||
| 118 | S | 26.3 | Very low | 29.1 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 167.2 | 133 | 98.6 | -79.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 119 | Q | 30.6 | Very low | 29.4 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 33.1 | 135.9 | 154.2 | -58.7 | -173.3 | -71.7 | 0 | 0 | 121.3 | ||||
| 120 | E | 23.4 | Very low | 29.6 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | -163.5 | 166.6 | 59.6 | 179.8 | 57 | 92.6 | 0 | 0 | 112.4 | |||||
| 121 | S | 25.5 | Very low | 29.9 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | trans | -99.5 | 148.7 | -168 | -20 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 122 | S | 24 | Very low | 30 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 161.5 | 114.5 | 123.3 | -75.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 123 | H | 31.8 | Very low | 30.4 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 44.5 | 110.3 | 139.1 | -59.5 | -79.3 | 0 | 0 | 0 | 123.9 | ||||
| 124 | Q | 33.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | 19.3 | 145.3 | 121.8 | -64.6 | -70.6 | -15.2 | 0 | 0 | 121.5 | |||||
| 125 | P | 36.2 | Very low | 30.9 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -116.4 | 144.8 | 145.8 | 36.1 | -26.5 | 0 | 0 | 0 | 114.2 | ||||
| 126 | V | 30.4 | Very low | 31 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -104 | 153.3 | -174.2 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 127 | F | 36.9 | Very low | 31.2 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -61 | 133.5 | 169.9 | -84.8 | -95.1 | 0 | 0 | 0 | 113.2 | ||||
| 128 | I | 31.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -139.8 | 122.8 | 154.7 | -62.5 | -175.3 | 0 | 0 | 0 | 110.6 | ||||
| 129 | S | 34.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 140.7 | 160.4 | -70 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 130 | K | 34.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -145.2 | 123.3 | 155.6 | -150.9 | 177.3 | -179.3 | 72.6 | 0 | 111.5 | ||||
| 131 | V | 35.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -89.9 | 139.4 | 174.2 | -159.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 132 | H | 30 | Very low | 33 | Very low | 164 Ų | 164 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -133.3 | 123.4 | 161.3 | -96.6 | -103.7 | 0 | 0 | 0 | 109.6 | ||||
| 133 | T | 34.3 | Very low | 33.9 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -100.6 | 129.5 | 171.8 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 134 | S | 28.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -148.1 | 143.5 | 152.4 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 135 | V | 37.7 | Very low | 33.6 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -116.4 | 136.6 | 173.5 | -84.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 136 | D | 31.1 | Very low | 33.4 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 147.2 | 133.1 | -158.7 | -141.1 | 0 | 0 | 0 | 114.3 | ||||
| 137 | S | 31.6 | Very low | 33.6 | Very low | 86 Ų | 86 | 145 Ų | 145 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | -24.1 | 141.7 | 170.5 | -51.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 138 | L | 37.3 | Very low | 33.4 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | 172.6 | 107.1 | 107.1 | -87.7 | 167 | 0 | 0 | 0 | 115 | |||||
| 139 | Q | 38.1 | Very low | 33.5 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 48.9 | 128 | 137.9 | -68 | 155.7 | 8.2 | 0 | 0 | 125.4 | ||||
| 140 | G | 30.4 | Very low | 33.8 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 96.1 | 145 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 141 | I | 36.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | cis | -147.8 | 151.9 | 6.3 | -69.1 | 166.4 | 0 | 0 | 0 | 109.7 | ||||
| 142 | Y | 29.5 | Very low | 33.9 | Very low | 216 Ų | 216 | 142.1 Ų | 142.1 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -43.3 | 176.8 | 175.7 | -75.5 | -86.3 | 0 | 0 | 0 | 120.1 | ||||
| 143 | P | 43.2 | Very low | 34.2 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -134.2 | 164.2 | -15.6 | 29.1 | -8.6 | 0 | 0 | 0 | 116 | ||||
| 144 | R | 31.8 | Very low | 34.3 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -105.4 | 96.2 | 163.4 | -164.7 | -88 | 178.9 | 110 | 1.9 | 110.8 | ||||
| 145 | M | 27.8 | Very low | 34.6 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | -71.5 | 138.8 | 176.3 | 69.9 | 90.3 | 75.1 | 0 | 0 | 111.8 | V147 | M145-V147 HydrophobicContact CE-CG2 3.82Å; M145-V147 HydrophobicContact SD-CG2 3.56Å; M145-V147 VanDerWaalsContact SD-CG2 3.56Å | ||
| 146 | S | 31.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -103.6 | 107.1 | 176.4 | 37.8 | 0 | 0 | 0 | 0 | 110.1 | A148 | S146-A148 PolarHBondContact O-N 3.33Š| ||
| 147 | V | 35.5 | Very low | 34.1 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -73 | 111 | 166.1 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | M145 H149 | M145-V147 HydrophobicContact CE-CG2 3.82Å; M145-V147 HydrophobicContact SD-CG2 3.56Å; M145-V147 VanDerWaalsContact SD-CG2 3.56Å; V147-H149 PolarHBondContact O-N 3.23Å | ||
| 148 | A | 33.5 | Very low | 34 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -66.8 | 125.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | S146 | S146-A148 PolarHBondContact O-N 3.33Š| ||
| 149 | H | 33.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -82 | 133.4 | 174.6 | -86.5 | -82.6 | 0 | 0 | 0 | 110.8 | V147 Y151 | V147-H149 PolarHBondContact O-N 3.23Å; H149-Y151 PolarHBondContact O-N 3.5Å | ||
| 150 | P | 40.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -84.7 | 76.2 | -174.9 | 34.1 | -36 | 0 | 0 | 0 | 112 | ||
| 151 | Y | 39 | Very low | 33.5 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 55% | 0.549 | 77% | 0.767 | S | S | . | * | trans | -157.6 | 52 | 169.8 | -154.1 | -108.1 | 0 | 0 | 0 | 115.8 | H149 W154 | H149-Y151 PolarHBondContact O-N 3.5Å; Y151-W154 HydrophobicContact CE2-CD2 4.33Å; Y151-W154 HydrophobicContact CE2-CG 4.49Å; Y151-W154 AromaticContact CZ-CD2 3.74Å; Y151-W154 AromaticContact CZ-CE3 3.97Å; Y151-W154 WeakPolarHBondContact OH-CH2 3.39Å; Y151-W154 WeakPolarHBondContact OH-CZ2 3.5Å; Y151-W154 WeakPolarHBondContact OH-CZ3 3.35Å | ||
| 152 | E | 31.5 | Very low | 33.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -106.4 | 31.1 | 179 | -79.9 | -81.2 | 119.6 | 0 | 0 | 112.5 | ||||
| 153 | S | 37 | Very low | 33.8 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -132.2 | 11.1 | -166.3 | 59 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 154 | W | 36.3 | Very low | 33.1 | Very low | 191 Ų | 191 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -105.5 | -1.8 | 177.5 | -83.6 | 23.6 | 0 | 0 | 0 | 115.6 | Y151 | Y151-W154 HydrophobicContact CE2-CD2 4.33Å; Y151-W154 HydrophobicContact CE2-CG 4.49Å; Y151-W154 AromaticContact CZ-CD2 3.74Å; Y151-W154 AromaticContact CZ-CE3 3.97Å; Y151-W154 WeakPolarHBondContact OH-CH2 3.39Å; Y151-W154 WeakPolarHBondContact OH-CZ2 3.5Å; Y151-W154 WeakPolarHBondContact OH-CZ3 3.35Å |
| 155 | F | 33.8 | Very low | 33 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -136.8 | 82.4 | 171.1 | -74.3 | -77.1 | 0 | 0 | 0 | 111.4 | ||||
| 156 | K | 29.1 | Very low | 33.2 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -109.3 | 101.7 | 155.1 | -87.3 | -170.9 | 172.9 | -176 | 0 | 108.7 | ||||
| 157 | S | 29.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -95.4 | 118.9 | 161.7 | -55.4 | 0 | 0 | 0 | 0 | 107.6 | H159 | S157-H159 PolarHBondContact O-N 3.42Š| ||
| 158 | S | 30 | Very low | 33 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 113.5 | -179.1 | -57 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 159 | H | 32 | Very low | 33 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -127.8 | 106.1 | 160.3 | -75.6 | -70.7 | 0 | 0 | 0 | 109.5 | S157 | S157-H159 PolarHBondContact O-N 3.42Š| ||
| 160 | P | 33.9 | Very low | 33 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -72.4 | 125 | 157.4 | -7.3 | 25.2 | 0 | 0 | 0 | 108.3 | ||||
| 161 | G | 28.3 | Very low | 32.5 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -89.9 | 147.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 162 | I | 34.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -134.8 | 143.6 | 164 | -72.1 | -169 | 0 | 0 | 0 | 106.1 | ||||
| 163 | P | 36.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -88 | 175.8 | -146.6 | 34.8 | -37.1 | 0 | 0 | 0 | 115.5 | ||||
| 164 | A | 29.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 152.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 165 | G | 30.6 | Very low | 31.4 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 148.3 | 126.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 166 | E | 30.6 | Very low | 31.3 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | cis | -148.2 | 161.1 | -5.1 | -68.8 | -170.7 | 154.7 | 0 | 0 | 110.2 | ||||
| 167 | V | 32.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | 32 | 124.7 | 154.1 | -177.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 168 | G | 30.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 165 | 113.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 169 | T | 33.6 | Very low | 31.4 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -83.6 | 137.4 | 178.9 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 170 | T | 33.7 | Very low | 31.3 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | 165 | 141.6 | 124.8 | 36.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 171 | G | 30.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 77.3 | 100.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 172 | A | 30.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | 40.2 | 101 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 173 | S | 31.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | 62.5 | 101.7 | 83.7 | 76 | 0 | 0 | 0 | 0 | 116 | |||||
| 174 | A | 31.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -131 | 135.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 175 | W | 27.5 | Very low | 30.6 | Very low | 239 Ų | 239 | 132.5 Ų | 132.5 | 91% | 0.905 | 82% | 0.818 | S | S | * | * | trans | -90.7 | 164.5 | -177.7 | -75.7 | -29.1 | 0 | 0 | 0 | 112.4 | ||||
| 176 | W | 32.3 | Very low | 30.7 | Very low | 246 Ų | 246 | 134.4 Ų | 134.4 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -36.1 | 139.3 | 175.7 | -42.4 | 85.9 | 0 | 0 | 0 | 115.5 | ||||
| 177 | D | 29.4 | Very low | 30.7 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -131.6 | 173.2 | 155 | -140.1 | -66.1 | 0 | 0 | 0 | 111.6 | ||||
| 178 | V | 30.7 | Very low | 31 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -99.2 | 152.6 | -141.3 | 171.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 179 | G | 28.9 | Very low | 31.6 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 169.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 180 | A | 30.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -143 | 131.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 181 | A | 30.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | 57.6 | 114.8 | 63.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 182 | G | 28.3 | Very low | 31.4 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 140.5 | 80.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 183 | W | 26.2 | Very low | 31.4 | Very low | 224 Ų | 224 | 133.8 Ų | 133.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -62.6 | 149 | 148.9 | 55 | -64.4 | 0 | 0 | 0 | 109.5 | ||||
| 184 | I | 32.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | 177 | 155.5 | 136.9 | -90.9 | 152.6 | 0 | 0 | 0 | 110.5 | ||||
| 185 | D | 30 | Very low | 31.4 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -90.8 | -177.2 | -162 | -138.8 | -68.7 | 0 | 0 | 0 | 115.3 | ||||
| 186 | V | 33.7 | Very low | 31.5 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 136.6 | -169.1 | 169.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 187 | Q | 31.3 | Very low | 31.4 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | -163.9 | 135.2 | 124.4 | -109 | 142.6 | 16.7 | 0 | 0 | 116.3 | |||||
| 188 | N | 37.5 | Very low | 31.5 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -77.3 | 151.3 | 174.3 | 176.1 | 22.1 | 0 | 0 | 0 | 111.3 | N190 | N188-N190 PolarHBondContact OD1-N 3.32Š| ||
| 189 | P | 42.7 | Very low | 31.5 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | -145.5 | 133 | 127 | 25 | -3.5 | 0 | 0 | 0 | 117.7 | |||||
| 190 | N | 30.9 | Very low | 31.6 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 82.7 | 138.2 | 136.8 | -53.4 | -15.6 | 0 | 0 | 0 | 122.4 | N188 | N188-N190 PolarHBondContact OD1-N 3.32Š| ||
| 191 | G | 30.1 | Very low | 31.7 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 102.4 | 105.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 192 | A | 33.2 | Very low | 31.7 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | 60.3 | 134.4 | 64.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 193 | A | 31.2 | Very low | 31.9 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | cis | -168.7 | 151.5 | -14.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 194 | L | 30.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 57.3 | 161.1 | 149 | -69.2 | 171.8 | 0 | 0 | 0 | 123 | ||||
| 195 | Q | 31.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 81.1 | 146.9 | 161 | -59.8 | -133.8 | 13.6 | 0 | 0 | 118.5 | ||||
| 196 | S | 29.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | cis | -165.9 | 155.9 | -17.3 | -94 | 0 | 0 | 0 | 0 | 110 | ||||
| 197 | S | 30.6 | Very low | 32.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 148.8 | 173 | -52 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 198 | L | 30.9 | Very low | 32.1 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -171.7 | 113.5 | 145.8 | -90.4 | 133.7 | 0 | 0 | 0 | 107.2 | ||||
| 199 | H | 30.9 | Very low | 32 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 73% | 0.731 | 79% | 0.788 | S | S | * | * | 95.2 | 108.6 | 75.1 | -85 | 115.2 | 0 | 0 | 0 | 115.3 | |||||
| 200 | S | 32 | Very low | 32.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 67.8 | 135.8 | 132.1 | -55.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 201 | G | 30.8 | Very low | 32.5 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 113.3 | 118.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 202 | G | 30.2 | Very low | 32.4 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | 117.6 | 87.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 203 | L | 33.4 | Very low | 32.2 | Very low | 183 Ų | 183 | 126.6 Ų | 126.6 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -139.4 | 141.7 | 159.8 | -81.3 | -177.9 | 0 | 0 | 0 | 111 | ||||
| 204 | Q | 32.4 | Very low | 32.2 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -112.7 | 147.1 | -175.3 | -80.1 | -85.1 | 7.7 | 0 | 0 | 110.1 | ||||
| 205 | T | 34.3 | Very low | 32.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -139.5 | 111.4 | 152.8 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 206 | S | 31.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -63.7 | 162.1 | 175.9 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 207 | L | 29.3 | Very low | 32.6 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | -174.5 | 132.8 | 110.4 | -95.5 | 157.9 | 0 | 0 | 0 | 113.9 | |||||
| 208 | H | 30.8 | Very low | 32.7 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 67 | 119.6 | 152.3 | -97.5 | -116.8 | 0 | 0 | 0 | 123.3 | ||||
| 209 | S | 34.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -94.1 | 170.5 | 145.7 | -43.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 210 | P | 51.7 | Low | 33.2 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -147.9 | 159.6 | 73 | 34.4 | -12.7 | 0 | 0 | 0 | 117.7 | |||||
| 211 | L | 32.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | 18.9 | 145.1 | 126.3 | -45.5 | 168 | 0 | 0 | 0 | 119.4 | |||||
| 212 | G | 29.7 | Very low | 33.4 | Very low | 61 Ų | 61 | 132.5 Ų | 132.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | 164.4 | 168.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 213 | G | 27.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 89.7 | 149.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 214 | Y | 31.1 | Very low | 33.8 | Very low | 230 Ų | 230 | 133.2 Ų | 133.2 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | cis | -153.3 | 167.3 | 11.7 | -50 | -91.4 | 0 | 0 | 0 | 112.5 | ||||
| 215 | N | 32.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -39.3 | 167.3 | 169.9 | -92.5 | -10.8 | 0 | 0 | 0 | 118.8 | ||||
| 216 | S | 36.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 54% | 0.538 | 76% | 0.763 | S | S | . | * | cis | -172.9 | 176.5 | -10.6 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 217 | D | 32.1 | Very low | 33.6 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 75 | 145.5 | 159.2 | -52.3 | -55.6 | 0 | 0 | 0 | 118.8 | ||||
| 218 | Y | 33.3 | Very low | 34 | Very low | 204 Ų | 204 | 132 Ų | 132 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | cis | -153.8 | 143.4 | 6.8 | -157.9 | -117.1 | 0 | 0 | 0 | 113.2 | ||||
| 219 | S | 38.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | trans | 38.4 | 127 | 152.1 | -58.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 220 | S | 31.8 | Very low | 34.7 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | -170.1 | 128.4 | 103.6 | 36.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 221 | L | 35.9 | Very low | 33.9 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 30.8 | 128 | 155.4 | -71.2 | 90.5 | 0 | 0 | 0 | 123.5 | ||||
| 222 | S | 32.9 | Very low | 35.2 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -100 | 166.9 | 161.4 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 223 | H | 34.1 | Very low | 35.3 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | 177.2 | 100.5 | 142.4 | -92.1 | -59.6 | 0 | 0 | 0 | 107.9 | ||||
| 224 | S | 36 | Very low | 35.5 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | 89.7 | 111.1 | 59.6 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 225 | A | 29.5 | Very low | 35.7 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -170 | 115.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 226 | F | 32.1 | Very low | 35.6 | Very low | 211 Ų | 211 | 129.4 Ų | 129.4 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -156.7 | 141.1 | 162.9 | -112.8 | -77.6 | 0 | 0 | 0 | 108 | ||||
| 227 | S | 33.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 150.3 | 107.4 | 136.4 | -67.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 228 | T | 37 | Very low | 35.7 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | 30.1 | 122.2 | 128.4 | 48.8 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 229 | S | 37.4 | Very low | 36 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 57.3 | 148.6 | 123.5 | 79.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 230 | P | 42.1 | Very low | 36 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -147.7 | -176.3 | 55.2 | 37.9 | -14.9 | 0 | 0 | 0 | 118.3 | |||||
| 231 | S | 34.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -100.7 | -166.8 | 178.9 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 232 | P | 60 | Low | 36.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -145.9 | -156.5 | 9.8 | 40.2 | -14.9 | 0 | 0 | 0 | 118 | ||||
| 233 | H | 31.5 | Very low | 36.3 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 86.4 | 142.8 | 176.4 | -61.7 | -95.6 | 0 | 0 | 0 | 118.1 | ||||
| 234 | L | 32.5 | Very low | 36.3 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 71% | 0.707 | 76% | 0.755 | S | S | * | * | cis | -161.3 | 152.7 | -15.4 | -106.7 | 172.1 | 0 | 0 | 0 | 111.3 | ||||
| 235 | L | 34.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 50 | 119.8 | 152.2 | -68 | 157.9 | 0 | 0 | 0 | 122.4 | ||||
| 236 | T | 30.5 | Very low | 36.3 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 174.6 | 161.4 | 95.9 | -163 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 237 | T | 36.7 | Very low | 37.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -41.3 | 157.2 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 238 | G | 34.8 | Very low | 36.9 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | cis | 162.9 | 160.9 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 239 | Q | 39.5 | Very low | 36.8 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 57.3 | 152.3 | 170.1 | -105.4 | 40.3 | 33.6 | 0 | 0 | 119.2 | ||||
| 240 | H | 38.9 | Very low | 37 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 68% | 0.676 | 77% | 0.766 | S | S | * | * | cis | -165.7 | 133.8 | -32.7 | 175 | -92.4 | 0 | 0 | 0 | 108.2 | ||||
| 241 | L | 36.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | trans | -8.9 | 163.6 | 142.8 | -66.7 | 156.7 | 0 | 0 | 0 | 118 | ||||
| 242 | M | 40.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | cis | -170.4 | -146.7 | -16.5 | 57.4 | 168.8 | 174 | 0 | 0 | 107.7 | ||||
| 243 | D | 30.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 74 | 149.5 | 171.4 | -59.5 | -56.1 | 0 | 0 | 0 | 117.5 | ||||
| 244 | G | 32.5 | Very low | 35.3 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 172.6 | 155.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 245 | F | 31.6 | Very low | 35.1 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -100.8 | 120.5 | -169 | -107.3 | -106.9 | 0 | 0 | 0 | 114.6 | ||||
| 246 | K | 35.2 | Very low | 34.9 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 59.6 | 176.8 | 144.3 | -79 | -174.2 | -177.5 | 177.4 | 0 | 119.5 | ||||
| 247 | P | 47.4 | Very low | 35.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -133.4 | 165.5 | -39.3 | 36.3 | -21.2 | 0 | 0 | 0 | 113.8 | ||||
| 248 | V | 30.2 | Very low | 35.8 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -144.3 | 147.6 | 164.1 | -162.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | L | 35.2 | Very low | 36.3 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 175.5 | 170.6 | -71.4 | 161.4 | 0 | 0 | 0 | 112.1 | ||||
| 250 | P | 40.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | -147.7 | 169.6 | 116.2 | 32.9 | -14.4 | 0 | 0 | 0 | 116.7 | |||||
| 251 | S | 28.2 | Very low | 36.1 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -94.2 | 166.2 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 252 | Y | 30.5 | Very low | 36 | Very low | 226 Ų | 226 | 134.2 Ų | 134.2 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 170.5 | 163 | -81.6 | -85.2 | 0 | 0 | 0 | 112.2 | ||||
| 253 | P | 48.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -144.8 | -179.7 | 28 | 43.6 | -23.3 | 0 | 0 | 0 | 119.6 | ||||
| 254 | D | 26.2 | Very low | 36 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | 53.5 | 128.2 | 150.7 | -87.8 | -62.8 | 0 | 0 | 0 | 123.8 | ||||
| 255 | T | 28 | Very low | 36 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | 163.4 | 116.3 | 113.7 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 256 | S | 31.9 | Very low | 36.5 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -84.8 | 162.4 | 164.5 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 257 | P | 45.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | cis | -149.2 | -169.2 | 38.9 | 41 | -18.1 | 0 | 0 | 0 | 117.1 | ||||
| 258 | S | 39.1 | Very low | 36.5 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 165.5 | 176.8 | -44.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 259 | P | 46.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | -135.4 | 141.4 | 109.2 | 22.3 | -3.3 | 0 | 0 | 0 | 112.3 | |||||
| 260 | L | 36.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 124 Ų | 124 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | 72.7 | 139.2 | 69.6 | -77.1 | 173.1 | 0 | 0 | 0 | 116.4 | |||||
| 261 | T | 36.5 | Very low | 36.6 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | 80.7 | 137.9 | 172.5 | -26.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 262 | G | 35.1 | Very low | 37.5 | Very low | 62 Ų | 62 | 121.9 Ų | 121.9 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | cis | -161.1 | 147.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 263 | A | 37.7 | Very low | 38.3 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | 80.3 | 122.9 | 82.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 264 | G | 32.8 | Very low | 37.7 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | 97.9 | 133.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 265 | G | 33.6 | Very low | 38.4 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | cis | -162.3 | 178.4 | 1.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 266 | T | 40.8 | Very low | 38.8 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -99.8 | 153.3 | -168.7 | 49.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 267 | M | 41.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 116.1 Ų | 116.1 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | 179.8 | 117 | 137 | -87.2 | -47.2 | -155.6 | 0 | 0 | 108 | ||||
| 268 | L | 41.2 | Very low | 38.4 | Very low | 149 Ų | 149 | 114 Ų | 114 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | 56.8 | 126.5 | 92.9 | -60.8 | -170.7 | 0 | 0 | 0 | 114.2 | |||||
| 269 | S | 37.3 | Very low | 38.2 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | -163 | 164 | 12.1 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 270 | G | 33.8 | Very low | 37.9 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 113.3 | 122.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 271 | G | 36.7 | Very low | 37.9 | Very low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -118 | -156.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 272 | P | 46.8 | Very low | 37.8 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | cis | -125.2 | -157.3 | -0.8 | 47 | -30 | 0 | 0 | 0 | 111.2 | ||||
| 273 | P | 48.7 | Very low | 37.9 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -100.3 | 155.2 | -144.4 | 40.3 | -40 | 0 | 0 | 0 | 117.3 | ||||
| 274 | A | 34.9 | Very low | 37.8 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -127.3 | 121.7 | 161 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 275 | A | 41.2 | Very low | 38 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -82.7 | 126.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 276 | L | 37.1 | Very low | 38.1 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -134.8 | 113.5 | 164 | -74.8 | 178.3 | 0 | 0 | 0 | 111.7 | ||||
| 277 | A | 36.7 | Very low | 37.6 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 30.2 | 105.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | S279 | A277-S279 PolarHBondContact O-N 3.39Š| ||
| 278 | G | 31.8 | Very low | 37.2 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P280 | G278-P280 WeakPolarHBondContact O-CD 3.16Š|
| 279 | S | 34.3 | Very low | 37.4 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.1 | 171.5 | -66.3 | 0 | 0 | 0 | 0 | 111 | A277 R281 | A277-S279 PolarHBondContact O-N 3.39Å; S279-R281 PolarHBondContact O-N 3.16Å |
| 280 | P | 40.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 116.9 | 175.1 | 28.5 | -31.9 | 0 | 0 | 0 | 109.2 | G278 S282 | G278-P280 WeakPolarHBondContact O-CD 3.16Å; P280-S282 PolarHBondContact O-N 3.47Å; P280-S282 VanDerWaalsContact O-N 3.08Å |
| 281 | R | 36.6 | Very low | 37.3 | Very low | 232 Ų | 232 | 131.7 Ų | 131.7 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 117.7 | 175.6 | -65.8 | 168.4 | 78.5 | -162.7 | 9.9 | 109.3 | S279 S283 | S279-R281 PolarHBondContact O-N 3.16Å; R281-S283 PolarHBondContact O-N 3.1Å |
| 282 | S | 35.5 | Very low | 37.5 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 76.2 | -178.9 | 39.9 | 0 | 0 | 0 | 0 | 111.6 | P280 A284 | P280-S282 PolarHBondContact O-N 3.47Å; P280-S282 VanDerWaalsContact O-N 3.08Å; S282-A284 PolarHBondContact O-N 3.27Å | ||
| 283 | S | 36.6 | Very low | 37.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -73.8 | 59.9 | 168.7 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | R281 R285 | R281-S283 PolarHBondContact O-N 3.1Å; S283-R285 PolarHBondContact O-N 3.02Å | ||
| 284 | A | 34.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | trans | -71.3 | 65.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S282 R286 | S282-A284 PolarHBondContact O-N 3.27Å; A284-R286 PolarHBondContact O-N 3.2Å | ||
| 285 | R | 37.5 | Very low | 38.5 | Very low | 213 Ų | 213 | 122.2 Ų | 122.2 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -68.4 | 87.3 | 167.9 | -172.1 | 179.9 | -64.3 | -96.5 | 1.6 | 107.2 | S283 Y287 | S283-R285 PolarHBondContact O-N 3.02Å; R285-Y287 PolarHBondContact O-N 3.36Å | ||
| 286 | R | 35.4 | Very low | 39.6 | Very low | 228 Ų | 228 | 120.3 Ų | 120.3 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -49.9 | 110.7 | 173.2 | -68.8 | -152.5 | -162.9 | -164.8 | 11.1 | 108.3 | A284 S288 | A284-R286 PolarHBondContact O-N 3.2Å; R286-S288 PolarHBondContact O-N 3.13Å | ||
| 287 | Y | 31 | Very low | 40.4 | Very low | 175 Ų | 175 | 113.5 Ų | 113.5 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | trans | -83.6 | 69.5 | 172.6 | -128.5 | -86.8 | 0 | 0 | 0 | 108.5 | R285 G289 | R285-Y287 PolarHBondContact O-N 3.36Å; Y287-G289 PolarHBondContact O-N 2.82Å; Y287-G289 VanDerWaalsContact O-N 3.14Å | ||
| 288 | S | 33.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 110.2 | 174.3 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | R286 | R286-S288 PolarHBondContact O-N 3.13Š| ||
| 289 | G | 45 | Very low | 42.7 | Very low | 71 Ų | 71 | 111.9 Ų | 111.9 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | 62.2 | 103.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y287 | Y287-G289 PolarHBondContact O-N 2.82Å; Y287-G289 VanDerWaalsContact O-N 3.14Å | ||
| 290 | R | 35.4 | Very low | 43.8 | Very low | 214 Ų | 214 | 110 Ų | 110 | 81% | 0.808 | 59% | 0.589 | S | S | * | * | trans | -143.5 | 128.5 | 151.9 | -108.1 | 177.5 | -166.8 | -134.3 | -0.4 | 110 | T292 | R290-T292 PolarHBondContact O-N 2.87Š| ||
| 291 | A | 33.3 | Very low | 44.7 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 82% | 0.818 | 55% | 0.553 | S | S | * | * | trans | -43.9 | 127.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C293 | A291-C293 PolarHBondContact O-N 2.86Å; A291-C293 VanDerWaalsContact O-N 3.13Å | ||
| 292 | T | 41.8 | Very low | 46 | Very low | 94 Ų | 94 | 99.4 Ų | 99.4 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | trans | -53.9 | 115.7 | 173 | 43.9 | 0 | 0 | 0 | 0 | 108.7 | R290 D294 | R290-T292 PolarHBondContact O-N 2.87Å; T292-D294 PolarHBondContact O-N 3.24Å | ||
| 293 | C | 45.4 | Very low | 47.2 | Very low | 30 Ų | 30 | 102 Ų | 102 | 20% | 0.203 | 53% | 0.531 | C | S | . | . | trans | -77.3 | 104 | 173 | 29.5 | 0 | 0 | 0 | 0 | 107.9 | A291 C295 C298 T331 | A291-C293 PolarHBondContact O-N 2.86Å; A291-C293 VanDerWaalsContact O-N 3.13Å; C293-C295 PolarHBondContact O-N 2.93Å; C293-C298 HydrophobicContact CB-CB 3.76Å; C293-C298 WeakPolarHBondContact CB-SG 3.37Å; C293-C298 WeakPolarHBondContact O-CB 3.32Å; C293-C298 WeakPolarHBondContact SG-CB 3.44Å; C293-C298 CovalentContact SG-SG 2.05Å; C293-C298 PolarHBondContact SG-SG 3.39Å; C293-T331 HydrophobicContact CB-CG2 4.11Å | ||
| 294 | D | 49.4 | Very low | 48.5 | Very low | 98 Ų | 98 | 99.8 Ų | 99.8 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | trans | -70.6 | 33.4 | 173.5 | -26.1 | -80.8 | 0 | 0 | 0 | 112.5 | T292 K335 | T292-D294 PolarHBondContact O-N 3.24Å; D294-K335 IonicContact OD2-NZ 2.8Å; D294-K335 PolarHBondContact OD2-NZ 3.17Å | ||
| 295 | C | 56.3 | Low | 50.1 | Low | 7 Ų | 7 | 97.3 Ų | 97.3 | 5% | 0.047 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -86.9 | 139.6 | 167.5 | 68 | 0 | 0 | 0 | 0 | 108.7 | C293 N297 C298 Q299 L334 | C293-C295 PolarHBondContact O-N 2.93Å; C295-N297 PolarHBondContact O-N 3.31Å; C295-C298 PolarHBondContact O-N 3.31Å; C295-C298 VanDerWaalsContact SG-CB 3.54Å; C295-C298 PolarHBondContact SG-SG 2.79Å; C295-Q299 PolarHBondContact O-N 3.44Å; C295-L334 HydrophobicContact CB-CD2 3.81Å |
| 296 | P | 62.6 | Low | 51.5 | Low | 60 Ų | 60 | 93.3 Ų | 93.3 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.5 | -30.9 | -175.8 | -29.4 | 35.1 | 0 | 0 | 0 | 113.6 | E300 H320 | P296-E300 WeakPolarHBondContact O-CB 3.33Å; P296-E300 PolarHBondContact O-N 3.08Å; P296-H320 HydrophobicContact CG-CB 4.45Å |
| 297 | N | 53.9 | Low | 52.6 | Low | 31 Ų | 31 | 86.2 Ų | 86.2 | 17% | 0.166 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.8 | -33.2 | 178.2 | -162.6 | -38.9 | 0 | 0 | 0 | 113.1 | C295 A301 L311 | C295-N297 PolarHBondContact O-N 3.31Å; N297-A301 WeakPolarHBondContact O-CB 3.38Å; N297-A301 PolarHBondContact O-N 3.07Å; N297-L311 WeakPolarHBondContact OD1-CB 3.36Å |
| 298 | C | 55.4 | Low | 53.8 | Low | 8 Ų | 8 | 77.9 Ų | 77.9 | 5% | 0.054 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.9 | -43.2 | 169 | -85.2 | 0 | 0 | 0 | 0 | 111.2 | C293 C295 A301 E302 | C293-C298 HydrophobicContact CB-CB 3.76Å; C293-C298 WeakPolarHBondContact CB-SG 3.37Å; C293-C298 WeakPolarHBondContact O-CB 3.32Å; C293-C298 WeakPolarHBondContact SG-CB 3.44Å; C293-C298 CovalentContact SG-SG 2.05Å; C293-C298 PolarHBondContact SG-SG 3.39Å; C295-C298 PolarHBondContact O-N 3.31Å; C295-C298 VanDerWaalsContact SG-CB 3.54Å; C295-C298 PolarHBondContact SG-SG 2.79Å; C298-A301 CarbonylContact O-C 3.46Å; C298-A301 PolarHBondContact O-N 3.47Å; C298-E302 WeakPolarHBondContact O-CB 3.5Å; C298-E302 PolarHBondContact O-N 2.83Å |
| 299 | Q | 61.3 | Low | 55.1 | Low | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.6 | -39.1 | 179.2 | -168.4 | 165.7 | 9.8 | 0 | 0 | 111.8 | C295 E302 R303 | C295-Q299 PolarHBondContact O-N 3.44Å; Q299-E302 PolarHBondContact O-N 2.79Å; Q299-R303 WeakPolarHBondContact O-CB 3.35Å; Q299-R303 PolarHBondContact O-N 3.27Å |
| 300 | E | 58 | Low | 55.7 | Low | 74 Ų | 74 | 74.1 Ų | 74.1 | 35% | 0.346 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 171.4 | -177.7 | 61.4 | -170.3 | 0 | 0 | 111.8 | P296 E302 R303 L304 | P296-E300 WeakPolarHBondContact O-CB 3.33Å; P296-E300 PolarHBondContact O-N 3.08Å; E300-E302 PolarHBondContact O-N 2.99Å; E300-R303 PolarHBondContact O-N 3.5Å; E300-R303 IonicContact OE1-CZ 3.53Å; E300-R303 IonicContact OE1-NE 3.81Å; E300-R303 IonicContact OE1-NH2 2.96Å; E300-R303 PolarHBondContact OE1-NH2 2.76Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.51Å; E300-R303 PolarHBondContact OE2-NE 3.26Å; E300-R303 IonicContact OE2-NH2 3.24Å; E300-R303 PolarHBondContact OE2-NH2 2.92Å; E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.42Å; E300-L304 VanDerWaalsContact O-CB 3.28Å; E300-L304 WeakPolarHBondContact O-CB 3.39Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.06Å; E300-L304 WeakPolarHBondContact OE1-CD1 3.26Å |
| 301 | A | 60.1 | Low | 56.7 | Low | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -27.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N297 C298 G305 L311 R312 | N297-A301 WeakPolarHBondContact O-CB 3.38Å; N297-A301 PolarHBondContact O-N 3.07Å; C298-A301 CarbonylContact O-C 3.46Å; C298-A301 PolarHBondContact O-N 3.47Å; A301-G305 PolarHBondContact O-N 2.99Å; A301-G305 VanDerWaalsContact O-N 3.17Å; A301-L311 HydrophobicContact CB-CB 4.35Å; A301-L311 HydrophobicContact CB-CD1 4.36Å; A301-R312 HydrophobicContact CB-CG 4.06Å |
| 302 | E | 62.5 | Low | 57.8 | Low | 127 Ų | 127 | 69.5 Ų | 69.5 | 59% | 0.593 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -76.9 | -42.6 | 174.5 | -162.3 | 160.8 | 161.4 | 0 | 0 | 110.7 | C298 Q299 E300 L304 G305 | C298-E302 WeakPolarHBondContact O-CB 3.5Å; C298-E302 PolarHBondContact O-N 2.83Å; Q299-E302 PolarHBondContact O-N 2.79Å; E300-E302 PolarHBondContact O-N 2.99Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.49Å; E302-G305 PolarHBondContact O-N 3.37Å |
| 303 | R | 62.6 | Low | 58.4 | Low | 170 Ų | 170 | 75 Ų | 75 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.6 | -34.7 | 171 | -164.7 | -168.8 | 71.4 | 76.2 | -2 | 113.1 | Q299 E300 | Q299-R303 WeakPolarHBondContact O-CB 3.35Å; Q299-R303 PolarHBondContact O-N 3.27Å; E300-R303 PolarHBondContact O-N 3.5Å; E300-R303 IonicContact OE1-CZ 3.53Å; E300-R303 IonicContact OE1-NE 3.81Å; E300-R303 IonicContact OE1-NH2 2.96Å; E300-R303 PolarHBondContact OE1-NH2 2.76Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.51Å; E300-R303 PolarHBondContact OE2-NE 3.26Å; E300-R303 IonicContact OE2-NH2 3.24Å; E300-R303 PolarHBondContact OE2-NH2 2.92Å |
| 304 | L | 63.9 | Low | 59 | Low | 67 Ų | 67 | 81.3 Ų | 81.3 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.4 | 178.1 | -67.2 | 174.4 | 0 | 0 | 0 | 113.8 | E300 E302 A307 G308 | E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.42Å; E300-L304 VanDerWaalsContact O-CB 3.28Å; E300-L304 WeakPolarHBondContact O-CB 3.39Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.06Å; E300-L304 WeakPolarHBondContact OE1-CD1 3.26Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.49Å; L304-A307 WeakPolarHBondContact O-CB 3.45Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.11Å; L304-G308 PolarHBondContact O-N 2.91Å |
| 305 | G | 68.4 | Low | 59.4 | Low | 33 Ų | 33 | 78.4 Ų | 78.4 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | 50.4 | -127 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A301 E302 A307 G308 A309 | A301-G305 PolarHBondContact O-N 2.99Å; A301-G305 VanDerWaalsContact O-N 3.17Å; E302-G305 PolarHBondContact O-N 3.37Å; G305-A307 VanDerWaalsContact C-N 3.25Å; G305-A307 PolarHBondContact O-N 3.2Å; G305-G308 WeakPolarHBondContact O-CA 3.32Å; G305-G308 PolarHBondContact O-N 3.48Å; G305-A309 PolarHBondContact O-N 3.35Å |
| 306 | P | 65.1 | Low | 59.8 | Low | 129 Ų | 129 | 82.2 Ų | 82.2 | 84% | 0.838 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57.2 | -32 | 179.7 | -25.5 | 35.1 | 0 | 0 | 0 | 114.6 | G308 A309 | P306-G308 VanDerWaalsContact C-N 3.34Å; P306-A309 VanDerWaalsContact O-CB 3.24Å; P306-A309 WeakPolarHBondContact O-CB 3.34Å; P306-A309 PolarHBondContact O-N 3.12Å |
| 307 | A | 59.3 | Low | 60.2 | Low | 79 Ų | 79 | 80.6 Ų | 80.6 | 65% | 0.653 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.2 | -32.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L304 G305 A309 | L304-A307 WeakPolarHBondContact O-CB 3.45Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.11Å; G305-A307 VanDerWaalsContact C-N 3.25Å; G305-A307 PolarHBondContact O-N 3.2Å; A307-A309 PolarHBondContact O-N 3.19Å |
| 308 | G | 57 | Low | 60.8 | Low | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.9 | -16.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L304 G305 P306 S310 L311 | L304-G308 PolarHBondContact O-N 2.91Å; G305-G308 WeakPolarHBondContact O-CA 3.32Å; G305-G308 PolarHBondContact O-N 3.48Å; P306-G308 VanDerWaalsContact C-N 3.34Å; G308-S310 PolarHBondContact O-N 2.73Å; G308-S310 VanDerWaalsContact O-N 3.11Å; G308-L311 WeakPolarHBondContact O-CB 3.36Å; G308-L311 PolarHBondContact O-N 3.18Å |
| 309 | A | 59.7 | Low | 61.5 | Low | 37 Ų | 37 | 81.8 Ų | 81.8 | 31% | 0.306 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -27.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G305 P306 A307 L311 R312 R313 | G305-A309 PolarHBondContact O-N 3.35Å; P306-A309 VanDerWaalsContact O-CB 3.24Å; P306-A309 WeakPolarHBondContact O-CB 3.34Å; P306-A309 PolarHBondContact O-N 3.12Å; A307-A309 PolarHBondContact O-N 3.19Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.01Å; A309-R312 PolarHBondContact O-N 3.08Å; A309-R313 WeakPolarHBondContact O-CG 3.47Å; A309-R313 PolarHBondContact O-N 2.81Å |
| 310 | S | 58.2 | Low | 61.7 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 176.2 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | G308 R312 R313 K314 | G308-S310 PolarHBondContact O-N 2.73Å; G308-S310 VanDerWaalsContact O-N 3.11Å; S310-R312 VanDerWaalsContact C-N 3.34Å; S310-R313 PolarHBondContact O-N 2.78Å; S310-K314 PolarHBondContact O-N 3.33Å |
| 311 | L | 57 | Low | 62.1 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 176.1 | -67.5 | 161.4 | 0 | 0 | 0 | 111.4 | N297 A301 G308 A309 | N297-L311 WeakPolarHBondContact OD1-CB 3.36Å; A301-L311 HydrophobicContact CB-CB 4.35Å; A301-L311 HydrophobicContact CB-CD1 4.36Å; G308-L311 WeakPolarHBondContact O-CB 3.36Å; G308-L311 PolarHBondContact O-N 3.18Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.01Å |
| 312 | R | 56 | Low | 61.5 | Low | 150 Ų | 150 | 87.5 Ų | 87.5 | 57% | 0.566 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.8 | -34.4 | 175.2 | -52.4 | -171.6 | 100.6 | -143.9 | 12.5 | 112.3 | A301 A309 S310 | A301-R312 HydrophobicContact CB-CG 4.06Å; A309-R312 PolarHBondContact O-N 3.08Å; S310-R312 VanDerWaalsContact C-N 3.34Å |
| 313 | R | 53.8 | Low | 61 | Low | 209 Ų | 209 | 85.9 Ų | 85.9 | 79% | 0.789 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.8 | -24.8 | -178.9 | -78.1 | -163 | -65.4 | -146.1 | 1.4 | 115 | A309 S310 G315 | A309-R313 WeakPolarHBondContact O-CG 3.47Å; A309-R313 PolarHBondContact O-N 2.81Å; S310-R313 PolarHBondContact O-N 2.78Å; R313-G315 PolarHBondContact O-N 3Å |
| 314 | K | 58 | Low | 61.2 | Low | 162 Ų | 162 | 78.9 Ų | 78.9 | 70% | 0.704 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.9 | 178.6 | -72.6 | -177.5 | 177.3 | -178.7 | 0 | 114.2 | S310 L316 | S310-K314 PolarHBondContact O-N 3.33Å; K314-L316 HydrophobicContact CB-CB 4.44Å; K314-L316 VanDerWaalsContact O-CB 3.32Å; K314-L316 WeakPolarHBondContact O-CB 3.11Å; K314-L316 PolarHBondContact O-N 2.84Å; K314-L316 VanDerWaalsContact O-N 3.08Å |
| 315 | G | 59 | Low | 61.4 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 38% | 0.381 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 18.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R313 G329 | R313-G315 PolarHBondContact O-N 3Å; G315-G329 CarbonylContact O-C 3.43Å; G315-G329 VanDerWaalsContact O-CA 3.26Å; G315-G329 WeakPolarHBondContact O-CA 3.07Å |
| 316 | L | 63.5 | Low | 61.5 | Low | 87 Ų | 87 | 82.3 Ų | 82.3 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | trans | -135.9 | 120.1 | -161.2 | -174.9 | 64.4 | 0 | 0 | 0 | 109.7 | K314 V327 | K314-L316 HydrophobicContact CB-CB 4.44Å; K314-L316 VanDerWaalsContact O-CB 3.32Å; K314-L316 WeakPolarHBondContact O-CB 3.11Å; K314-L316 PolarHBondContact O-N 2.84Å; K314-L316 VanDerWaalsContact O-N 3.08Å; L316-V327 HydrophobicContact CD1-CB 4.21Å; L316-V327 HydrophobicContact CD1-CG1 3.47Å; L316-V327 VanDerWaalsContact CD1-CG1 3.47Å; L316-V327 HydrophobicContact CD2-CG1 3.91Å; L316-V327 HydrophobicContact CG-CG1 3.39Å | ||
| 317 | H | 70.6 | Confident | 61.9 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 12% | 0.12 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.9 | -169.6 | -49.8 | -77.6 | 0 | 0 | 0 | 110.4 | Y328 K330 T331 L334 | H317-Y328 PolarHBondContact CD2-O 2.67Å; H317-Y328 PolarHBondContact N-O 2.69Å; H317-Y328 PolarHBondContact O-N 3.24Å; H317-K330 VanDerWaalsContact CD2-C 3.48Å; H317-T331 PolarHBondContact CD2-N 3.08Å; H317-T331 VanDerWaalsContact CD2-N 3.33Å; H317-T331 WeakPolarHBondContact CE1-CG2 3.32Å; H317-T331 WeakPolarHBondContact NE2-CG2 3.48Å; H317-L334 HydrophobicContact CB-CB 4.1Å; H317-L334 HydrophobicContact CB-CD2 3.59Å; H317-L334 HydrophobicContact CB-CG 4.43Å |
| 318 | S | 67.3 | Low | 62.7 | Low | 52 Ų | 52 | 78.9 Ų | 78.9 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 147.9 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | L334 | S318-L334 WeakPolarHBondContact O-CD2 3.24Å |
| 319 | C | 69.6 | Low | 63.4 | Low | 12 Ų | 12 | 81.4 Ų | 81.4 | 8% | 0.081 | 47% | 0.469 | C | S | . | . | trans | -75.3 | 126.2 | 164.5 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | I321 C324 K326 L334 H337 | C319-I321 VanDerWaalsContact C-N 3.3Å; C319-C324 HydrophobicContact CB-CB 4.41Å; C319-K326 WeakPolarHBondContact CB-O 3.46Å; C319-K326 PolarHBondContact N-O 2.8Å; C319-L334 HydrophobicContact CB-CD1 4.08Å; C319-H337 PolarHBondContact SG-NE2 3.32Å | ||
| 320 | H | 65.8 | Low | 64.1 | Low | 151 Ų | 151 | 85.8 Ų | 85.8 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | -78.6 | -13.9 | 180 | 178.4 | 59.1 | 0 | 0 | 0 | 113.1 | P296 | P296-H320 HydrophobicContact CG-CB 4.45Š| ||
| 321 | I | 67.5 | Low | 64.7 | Low | 56 Ų | 56 | 85.7 Ų | 85.7 | 29% | 0.287 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -73.1 | 124.7 | -170.9 | -63.4 | 177.5 | 0 | 0 | 0 | 110 | C319 G323 C324 L338 H341 | C319-I321 VanDerWaalsContact C-N 3.3Å; I321-G323 PolarHBondContact O-N 3.36Å; I321-C324 HydrophobicContact CB-CB 4.48Å; I321-C324 WeakPolarHBondContact O-CB 3.26Å; I321-C324 PolarHBondContact O-N 2.99Å; I321-C324 VanDerWaalsContact O-N 3.09Å; I321-L338 HydrophobicContact CD1-CD2 4.03Å; I321-L338 HydrophobicContact CG1-CD2 4.44Å; I321-H341 HydrophobicContact CD1-CB 3.25Å; I321-H341 VanDerWaalsContact CD1-CG 3.46Å |
| 322 | P | 45.8 | Very low | 65.4 | Low | 125 Ų | 125 | 85.9 Ų | 85.9 | 81% | 0.812 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 138.4 | -176 | 23.4 | -33.6 | 0 | 0 | 0 | 111 | C324 | P322-C324 VanDerWaalsContact C-N 3.29Å; P322-C324 PolarHBondContact O-N 3.05Å |
| 323 | G | 53 | Low | 66.3 | Low | 93 Ų | 93 | 82.9 Ų | 82.9 | 96% | 0.959 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I321 | I321-G323 PolarHBondContact O-N 3.36Š|
| 324 | C | 67.8 | Low | 67.2 | Low | 22 Ų | 22 | 73 Ų | 73 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -48.7 | 178.4 | -170.4 | 0 | 0 | 0 | 0 | 114 | C319 I321 P322 K326 H337 H341 | C319-C324 HydrophobicContact CB-CB 4.41Å; I321-C324 HydrophobicContact CB-CB 4.48Å; I321-C324 WeakPolarHBondContact O-CB 3.26Å; I321-C324 PolarHBondContact O-N 2.99Å; I321-C324 VanDerWaalsContact O-N 3.09Å; P322-C324 VanDerWaalsContact C-N 3.29Å; P322-C324 PolarHBondContact O-N 3.05Å; C324-K326 PolarHBondContact O-N 2.78Å; C324-H337 PolarHBondContact SG-CE1 3.11Å; C324-H337 PolarHBondContact SG-NE2 3.45Å; C324-H341 PolarHBondContact SG-NE2 3.47Å |
| 325 | G | 67.5 | Low | 67.8 | Low | 66 Ų | 66 | 70 Ų | 70 | 68% | 0.68 | 43% | 0.427 | S | S | * | . | trans | 63.7 | -1.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | V327 | G325-V327 WeakPolarHBondContact O-CG2 3.33Š| ||
| 326 | K | 69.6 | Low | 68.4 | Low | 107 Ų | 107 | 69.1 Ų | 69.1 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | trans | -73.9 | 142.7 | -174.3 | -66.6 | 176.7 | -168.3 | 176.1 | 0 | 112.4 | C319 C324 Y328 | C319-K326 WeakPolarHBondContact CB-O 3.46Å; C319-K326 PolarHBondContact N-O 2.8Å; C324-K326 PolarHBondContact O-N 2.78Å; K326-Y328 HydrophobicContact CB-CE2 3.69Å; K326-Y328 WeakPolarHBondContact CD-OH 3.46Å | ||
| 327 | V | 74 | Confident | 68.9 | Low | 76 Ų | 76 | 65.8 Ų | 65.8 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.7 | -175.1 | -154 | 0 | 0 | 0 | 0 | 110.5 | L316 G325 | L316-V327 HydrophobicContact CD1-CB 4.21Å; L316-V327 HydrophobicContact CD1-CG1 3.47Å; L316-V327 VanDerWaalsContact CD1-CG1 3.47Å; L316-V327 HydrophobicContact CD2-CG1 3.91Å; L316-V327 HydrophobicContact CG-CG1 3.39Å; G325-V327 WeakPolarHBondContact O-CG2 3.33Å |
| 328 | Y | 75.7 | Confident | 68.8 | Low | 59 Ų | 59 | 66 Ų | 66 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.7 | -168.3 | -63.6 | -83.5 | 0 | 0 | 0 | 112.5 | H317 K326 K330 H333 L334 H337 | H317-Y328 PolarHBondContact CD2-O 2.67Å; H317-Y328 PolarHBondContact N-O 2.69Å; H317-Y328 PolarHBondContact O-N 3.24Å; K326-Y328 HydrophobicContact CB-CE2 3.69Å; K326-Y328 WeakPolarHBondContact CD-OH 3.46Å; Y328-K330 PolarHBondContact O-N 3.08Å; Y328-H333 HydrophobicContact CD1-CB 3.68Å; Y328-H333 HydrophobicContact CE1-CB 4.49Å; Y328-H333 HydrophobicContact CG-CB 4.08Å; Y328-L334 HydrophobicContact CD2-CB 4.13Å; Y328-L334 HydrophobicContact CD2-CD1 3.95Å; Y328-L334 HydrophobicContact CE2-CD1 4.35Å; Y328-L334 HydrophobicContact CG-CB 4.47Å; Y328-H337 HydrophobicContact CE1-CB 4.45Å; Y328-H337 HydrophobicContact CE2-CB 3.71Å; Y328-H337 AromaticContact CE2-CD2 3.39Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.3Å; Y328-H337 AromaticContact CE2-CG 3.54Å; Y328-H337 AromaticContact CZ-CD2 3.93Å; Y328-H337 AromaticContact CZ-CG 3.62Å; Y328-H337 PolarHBondContact OH-ND1 2.96Å |
| 329 | G | 72.9 | Confident | 68.9 | Low | 55 Ų | 55 | 66.3 Ų | 66.3 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -70.8 | 6.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | G315 | G315-G329 CarbonylContact O-C 3.43Å; G315-G329 VanDerWaalsContact O-CA 3.26Å; G315-G329 WeakPolarHBondContact O-CA 3.07Å |
| 330 | K | 73.4 | Confident | 68.6 | Low | 129 Ų | 129 | 75 Ų | 75 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -146.4 | 133.7 | 179.5 | -64 | -174.1 | -178.3 | -180 | 0 | 110.8 | H317 Y328 S332 H333 L334 | H317-K330 VanDerWaalsContact CD2-C 3.48Å; Y328-K330 PolarHBondContact O-N 3.08Å; K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.12Å; K330-H333 HydrophobicContact CB-CB 4.49Å; K330-H333 PolarHBondContact O-N 2.82Å; K330-H333 VanDerWaalsContact O-N 3.11Å; K330-L334 PolarHBondContact O-N 2.95Å |
| 331 | T | 71.2 | Confident | 68.5 | Low | 58 Ų | 58 | 71.4 Ų | 71.4 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.4 | -38.5 | 176.3 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | C293 H317 H333 L334 K335 | C293-T331 HydrophobicContact CB-CG2 4.11Å; H317-T331 PolarHBondContact CD2-N 3.08Å; H317-T331 VanDerWaalsContact CD2-N 3.33Å; H317-T331 WeakPolarHBondContact CE1-CG2 3.32Å; H317-T331 WeakPolarHBondContact NE2-CG2 3.48Å; T331-H333 VanDerWaalsContact C-N 3.31Å; T331-H333 PolarHBondContact O-N 3.14Å; T331-L334 PolarHBondContact O-N 3.37Å; T331-K335 PolarHBondContact O-N 3.48Å |
| 332 | S | 71.8 | Confident | 68.2 | Low | 71 Ų | 71 | 72.8 Ų | 72.8 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 178.4 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | K330 A336 | K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.12Å; S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 3.45Å |
| 333 | H | 74.4 | Confident | 68.7 | Low | 88 Ų | 88 | 69.2 Ų | 69.2 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.5 | -40.4 | 176.5 | -67.6 | -174.8 | 0 | 0 | 0 | 111.2 | Y328 K330 T331 A336 H337 | Y328-H333 HydrophobicContact CD1-CB 3.68Å; Y328-H333 HydrophobicContact CE1-CB 4.49Å; Y328-H333 HydrophobicContact CG-CB 4.08Å; K330-H333 HydrophobicContact CB-CB 4.49Å; K330-H333 PolarHBondContact O-N 2.82Å; K330-H333 VanDerWaalsContact O-N 3.11Å; T331-H333 VanDerWaalsContact C-N 3.31Å; T331-H333 PolarHBondContact O-N 3.14Å; H333-A336 PolarHBondContact O-N 3.02Å; H333-H337 VanDerWaalsContact O-CB 3.3Å; H333-H337 WeakPolarHBondContact O-CB 3.07Å; H333-H337 PolarHBondContact O-N 3.11Å |
| 334 | L | 73.1 | Confident | 68.9 | Low | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.4 | 178.2 | 62.7 | 0 | 0 | 0 | 111.4 | C295 H317 S318 C319 Y328 K330 T331 A336 H337 L338 | C295-L334 HydrophobicContact CB-CD2 3.81Å; H317-L334 HydrophobicContact CB-CB 4.1Å; H317-L334 HydrophobicContact CB-CD2 3.59Å; H317-L334 HydrophobicContact CB-CG 4.43Å; S318-L334 WeakPolarHBondContact O-CD2 3.24Å; C319-L334 HydrophobicContact CB-CD1 4.08Å; Y328-L334 HydrophobicContact CD2-CB 4.13Å; Y328-L334 HydrophobicContact CD2-CD1 3.95Å; Y328-L334 HydrophobicContact CE2-CD1 4.35Å; Y328-L334 HydrophobicContact CG-CB 4.47Å; K330-L334 PolarHBondContact O-N 2.95Å; T331-L334 PolarHBondContact O-N 3.37Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.31Å; L334-H337 CarbonylContact O-C 3.27Å; L334-H337 WeakPolarHBondContact O-CB 3.36Å; L334-H337 PolarHBondContact O-N 3.3Å; L334-H337 VanDerWaalsContact O-N 3.09Å; L334-L338 HydrophobicContact CD1-CD1 4.15Å; L334-L338 HydrophobicContact CD1-CD2 4.45Å; L334-L338 HydrophobicContact CD1-CG 3.99Å; L334-L338 HydrophobicContact CD2-CD1 4.4Å; L334-L338 HydrophobicContact CG-CD1 3.89Å; L334-L338 HydrophobicContact CG-CG 4.22Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.39Å |
| 335 | K | 71 | Confident | 68.7 | Low | 98 Ų | 98 | 75.7 Ų | 75.7 | 43% | 0.426 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 179.3 | -164.5 | 162.6 | -173.5 | 171.5 | 0 | 111.8 | D294 T331 H337 R339 | D294-K335 IonicContact OD2-NZ 2.8Å; D294-K335 PolarHBondContact OD2-NZ 3.17Å; T331-K335 PolarHBondContact O-N 3.48Å; K335-H337 VanDerWaalsContact C-N 3.33Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.85Å |
| 336 | A | 71.4 | Confident | 68.6 | Low | 19 Ų | 19 | 76 Ų | 76 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -31.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S332 H333 L334 R360 | S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 3.45Å; H333-A336 PolarHBondContact O-N 3.02Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.31Å; A336-R360 HydrophobicContact CB-CG 4.05Å |
| 337 | H | 74.7 | Confident | 68.3 | Low | 18 Ų | 18 | 73.7 Ų | 73.7 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.1 | -40.6 | 174.6 | 168.2 | 55.1 | 0 | 0 | 0 | 112.7 | C319 C324 Y328 H333 L334 K335 R339 W340 H341 | C319-H337 PolarHBondContact SG-NE2 3.32Å; C324-H337 PolarHBondContact SG-CE1 3.11Å; C324-H337 PolarHBondContact SG-NE2 3.45Å; Y328-H337 HydrophobicContact CE1-CB 4.45Å; Y328-H337 HydrophobicContact CE2-CB 3.71Å; Y328-H337 AromaticContact CE2-CD2 3.39Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.3Å; Y328-H337 AromaticContact CE2-CG 3.54Å; Y328-H337 AromaticContact CZ-CD2 3.93Å; Y328-H337 AromaticContact CZ-CG 3.62Å; Y328-H337 PolarHBondContact OH-ND1 2.96Å; H333-H337 VanDerWaalsContact O-CB 3.3Å; H333-H337 WeakPolarHBondContact O-CB 3.07Å; H333-H337 PolarHBondContact O-N 3.11Å; L334-H337 CarbonylContact O-C 3.27Å; L334-H337 WeakPolarHBondContact O-CB 3.36Å; L334-H337 PolarHBondContact O-N 3.3Å; L334-H337 VanDerWaalsContact O-N 3.09Å; K335-H337 VanDerWaalsContact C-N 3.33Å; H337-R339 PolarHBondContact O-N 3.47Å; H337-W340 WeakPolarHBondContact O-CB 3.38Å; H337-W340 PolarHBondContact O-N 3.05Å; H337-H341 AromaticContact CE1-CD2 3.52Å; H337-H341 AromaticContact CE1-NE2 3.16Å; H337-H341 PolarHBondContact CE1-NE2 3.26Å; H337-H341 AromaticContact NE2-CD2 3.69Å; H337-H341 AromaticContact NE2-NE2 3.4Å; H337-H341 PolarHBondContact NE2-NE2 3.33Å |
| 338 | L | 67.4 | Low | 68 | Low | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -35 | 176.7 | -72.1 | 168.5 | 0 | 0 | 0 | 111.5 | I321 L334 W340 H341 T342 | I321-L338 HydrophobicContact CD1-CD2 4.03Å; I321-L338 HydrophobicContact CG1-CD2 4.44Å; L334-L338 HydrophobicContact CD1-CD1 4.15Å; L334-L338 HydrophobicContact CD1-CD2 4.45Å; L334-L338 HydrophobicContact CD1-CG 3.99Å; L334-L338 HydrophobicContact CD2-CD1 4.4Å; L334-L338 HydrophobicContact CG-CD1 3.89Å; L334-L338 HydrophobicContact CG-CG 4.22Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.39Å; L338-W340 PolarHBondContact O-N 2.81Å; L338-W340 VanDerWaalsContact O-N 3.17Å; L338-H341 PolarHBondContact O-N 3.27Å; L338-T342 PolarHBondContact O-N 3.28Å; L338-T342 PolarHBondContact O-OG1 2.05Å |
| 339 | R | 70.1 | Confident | 68 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.5 | -23.5 | 170.5 | -74 | 177.6 | -178.8 | 163 | -0 | 115 | K335 H337 T342 G343 E344 T359 | K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.85Å; H337-R339 PolarHBondContact O-N 3.47Å; R339-T342 WeakPolarHBondContact CA-OG1 3.33Å; R339-G343 PolarHBondContact O-N 3.11Å; R339-G343 VanDerWaalsContact O-N 3.16Å; R339-E344 WeakPolarHBondContact CB-O 3.02Å; R339-E344 HydrophobicContact CG-CB 4.15Å; R339-E344 PolarHBondContact O-N 3.23Å; R339-T359 HydrophobicContact CB-CG2 4.07Å; R339-T359 WeakPolarHBondContact CD-O 3.45Å; R339-T359 PolarHBondContact NH1-O 2.83Å |
| 340 | W | 62.3 | Low | 67.7 | Low | 194 Ų | 194 | 75.5 Ų | 75.5 | 74% | 0.735 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.9 | -35.3 | 171.9 | 179.8 | -100.2 | 0 | 0 | 0 | 111.8 | H337 L338 | H337-W340 WeakPolarHBondContact O-CB 3.38Å; H337-W340 PolarHBondContact O-N 3.05Å; L338-W340 PolarHBondContact O-N 2.81Å; L338-W340 VanDerWaalsContact O-N 3.17Å |
| 341 | H | 63.3 | Low | 67.5 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -84.2 | -37.2 | 179.3 | -69.4 | -84.8 | 0 | 0 | 0 | 113.1 | I321 C324 H337 L338 G343 | I321-H341 HydrophobicContact CD1-CB 3.25Å; I321-H341 VanDerWaalsContact CD1-CG 3.46Å; C324-H341 PolarHBondContact SG-NE2 3.47Å; H337-H341 AromaticContact CE1-CD2 3.52Å; H337-H341 AromaticContact CE1-NE2 3.16Å; H337-H341 PolarHBondContact CE1-NE2 3.26Å; H337-H341 AromaticContact NE2-CD2 3.69Å; H337-H341 AromaticContact NE2-NE2 3.4Å; H337-H341 PolarHBondContact NE2-NE2 3.33Å; L338-H341 PolarHBondContact O-N 3.27Å; H341-G343 VanDerWaalsContact C-N 3.27Å; H341-G343 PolarHBondContact O-N 2.91Å |
| 342 | T | 62.2 | Low | 66.8 | Low | 85 Ų | 85 | 80 Ų | 80 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.4 | -11.4 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | L338 R339 E344 | L338-T342 PolarHBondContact O-N 3.28Å; L338-T342 PolarHBondContact O-OG1 2.05Å; R339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T342-E344 PolarHBondContact O-N 3.4Å; T342-E344 WeakPolarHBondContact OG1-CG 3.45Å |
| 343 | G | 57.2 | Low | 66.3 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | trans | 71.3 | 2.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R339 H341 R345 | R339-G343 PolarHBondContact O-N 3.11Å; R339-G343 VanDerWaalsContact O-N 3.16Å; H341-G343 VanDerWaalsContact C-N 3.27Å; H341-G343 PolarHBondContact O-N 2.91Å; G343-R345 PolarHBondContact O-N 2.86Å; G343-R345 VanDerWaalsContact O-N 3.11Å | ||
| 344 | E | 56.6 | Low | 66.2 | Low | 116 Ų | 116 | 82.4 Ų | 82.4 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | trans | -64.8 | 109.6 | 179.7 | -73.7 | -178.2 | 167.9 | 0 | 0 | 111.5 | R339 T342 P346 | R339-E344 WeakPolarHBondContact CB-O 3.02Å; R339-E344 HydrophobicContact CG-CB 4.15Å; R339-E344 PolarHBondContact O-N 3.23Å; T342-E344 PolarHBondContact O-N 3.4Å; T342-E344 WeakPolarHBondContact OG1-CG 3.45Å; E344-P346 WeakPolarHBondContact O-CD 3.38Å | ||
| 345 | R | 63 | Low | 65.7 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 51% | 0.506 | 43% | 0.428 | S | S | . | . | trans | -113.7 | 74.5 | 176.6 | -63.3 | 165.7 | 79.7 | 152.4 | 1 | 109.5 | G343 F347 R357 F358 T359 | G343-R345 PolarHBondContact O-N 2.86Å; G343-R345 VanDerWaalsContact O-N 3.11Å; R345-F347 PolarHBondContact O-N 3Å; R345-R357 HydrophobicContact CB-CB 3.45Å; R345-R357 VanDerWaalsContact CB-CB 3.45Å; R345-R357 HydrophobicContact CG-CB 4.38Å; R345-R357 PolarHBondContact NE-O 2.78Å; R345-R357 PolarHBondContact NH2-O 2.68Å; R345-F358 CarbonylContact C-O 3.35Å; R345-F358 VanDerWaalsContact C-O 3.27Å; R345-F358 VanDerWaalsContact CA-O 3.32Å; R345-F358 WeakPolarHBondContact CA-O 3.34Å; R345-T359 HydrophobicContact CG-CG2 3.99Å | ||
| 346 | P | 64.7 | Low | 65.6 | Low | 72 Ų | 72 | 85.5 Ų | 85.5 | 47% | 0.468 | 43% | 0.432 | S | S | . | . | trans | -70.1 | -15 | -172.4 | 28.6 | -36.4 | 0 | 0 | 0 | 114.1 | E344 | E344-P346 WeakPolarHBondContact O-CD 3.38Š| ||
| 347 | F | 64.9 | Low | 65.8 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 26% | 0.259 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 94.2 | -178.7 | -59.4 | -72.8 | 0 | 0 | 0 | 110.2 | R345 R357 F358 R360 S361 L364 | R345-F347 PolarHBondContact O-N 3Å; F347-R357 CarbonylContact O-C 3.57Å; F347-R357 WeakPolarHBondContact O-CA 3.4Å; F347-F358 HydrophobicContact CB-CB 4.19Å; F347-F358 WeakPolarHBondContact CB-O 3.49Å; F347-F358 PolarHBondContact N-O 3.39Å; F347-F358 VanDerWaalsContact N-O 3.1Å; F347-F358 PolarHBondContact O-N 3.3Å; F347-R360 VanDerWaalsContact CE2-C 3.49Å; F347-S361 VanDerWaalsContact CE2-N 3.33Å; F347-L364 HydrophobicContact CB-CB 3.92Å; F347-L364 HydrophobicContact CB-CD2 3.79Å; F347-L364 HydrophobicContact CB-CG 4.45Å |
| 348 | V | 66.6 | Low | 65.7 | Low | 66 Ų | 66 | 92 Ų | 92 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.7 | -180 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | N350 R357 L364 | V348-N350 PolarHBondContact O-N 3.13Å; V348-R357 HydrophobicContact CB-CG 4.45Å; V348-R357 HydrophobicContact CG1-CG 4.18Å; V348-R357 HydrophobicContact CG2-CG 3.94Å; V348-L364 WeakPolarHBondContact O-CD2 3.14Å |
| 349 | C | 75.6 | Confident | 65.7 | Low | 4 Ų | 4 | 92.2 Ų | 92.2 | 3% | 0.027 | 46% | 0.455 | C | S | . | . | trans | -70.6 | 114.1 | 165.8 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | W351 C354 K356 L364 H367 H371 | C349-W351 PolarHBondContact O-N 2.72Å; C349-W351 VanDerWaalsContact SG-CB 3.56Å; C349-C354 HydrophobicContact CB-CB 4.44Å; C349-K356 HydrophobicContact CB-CB 4.41Å; C349-K356 VanDerWaalsContact CB-O 3.27Å; C349-K356 WeakPolarHBondContact CB-O 3.48Å; C349-K356 PolarHBondContact N-O 3.19Å; C349-L364 HydrophobicContact CB-CD1 4.07Å; C349-H367 PolarHBondContact SG-NE2 3.03Å; C349-H371 PolarHBondContact SG-NE2 2.87Å | ||
| 350 | N | 67.3 | Low | 65.8 | Low | 159 Ų | 159 | 94.6 Ų | 94.6 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | trans | -75.8 | 7.5 | 178.4 | -156.5 | 55.7 | 0 | 0 | 0 | 113.7 | V348 L352 | V348-N350 PolarHBondContact O-N 3.13Å; N350-L352 PolarHBondContact O-N 3.29Å | ||
| 351 | W | 68 | Low | 66.3 | Low | 125 Ų | 125 | 88.4 Ų | 88.4 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | trans | -75.5 | 120.6 | 173.5 | -163.7 | -82.9 | 0 | 0 | 0 | 109 | C349 F353 C354 H371 | C349-W351 PolarHBondContact O-N 2.72Å; C349-W351 VanDerWaalsContact SG-CB 3.56Å; W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 3.35Å; W351-F353 VanDerWaalsContact O-N 3.1Å; W351-C354 HydrophobicContact CB-CB 3.86Å; W351-C354 HydrophobicContact CG-CB 4.39Å; W351-C354 WeakPolarHBondContact O-CB 3.44Å; W351-C354 PolarHBondContact O-N 3.34Å; W351-H371 HydrophobicContact CD2-CB 3.97Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.66Å; W351-H371 AromaticContact CE3-CG 3.89Å; W351-H371 AromaticContact CG-CE1 3.93Å; W351-H371 AromaticContact CG-ND1 3.99Å; W351-H371 AromaticContact CG-NE2 3.98Å; W351-H371 HydrophobicContact CH2-CB 4.14Å; W351-H371 HydrophobicContact CZ2-CB 4.42Å; W351-H371 HydrophobicContact CZ3-CB 3.75Å | ||
| 352 | L | 57.7 | Low | 66.8 | Low | 157 Ų | 157 | 87.3 Ų | 87.3 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -40.9 | -164 | -167.8 | 66.1 | 0 | 0 | 0 | 113.7 | N350 | N350-L352 PolarHBondContact O-N 3.29Š|
| 353 | F | 60.6 | Low | 67.5 | Low | 183 Ų | 183 | 86.6 Ų | 86.6 | 80% | 0.803 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.6 | -179.2 | -53.6 | -73.7 | 0 | 0 | 0 | 114.6 | W351 | W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 3.35Å; W351-F353 VanDerWaalsContact O-N 3.1Å |
| 354 | C | 73.1 | Confident | 68.4 | Low | 25 Ų | 25 | 85.3 Ų | 85.3 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -47.5 | -170.1 | -161.4 | 0 | 0 | 0 | 0 | 113.8 | C349 W351 K356 H367 H371 | C349-C354 HydrophobicContact CB-CB 4.44Å; W351-C354 HydrophobicContact CB-CB 3.86Å; W351-C354 HydrophobicContact CG-CB 4.39Å; W351-C354 WeakPolarHBondContact O-CB 3.44Å; W351-C354 PolarHBondContact O-N 3.34Å; C354-K356 PolarHBondContact O-N 2.82Å; C354-K356 VanDerWaalsContact SG-CD 3.56Å; C354-H367 PolarHBondContact SG-CE1 3.22Å; C354-H367 PolarHBondContact SG-NE2 2.92Å; C354-H371 PolarHBondContact SG-CE1 3.43Å; C354-H371 PolarHBondContact SG-NE2 2.89Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å |
| 355 | G | 62.3 | Low | 69.3 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 51% | 0.505 | 42% | 0.418 | S | S | . | . | trans | 59 | -2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | R357 | G355-R357 WeakPolarHBondContact O-CG 3.4Å; G355-R357 PolarHBondContact O-N 3.04Å | ||
| 356 | K | 69.6 | Low | 70 | Confident | 115 Ų | 115 | 81.4 Ų | 81.4 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | trans | -63.6 | 122.3 | -172.6 | -70.5 | 178.4 | -168.7 | 176.4 | 0 | 110.6 | C349 C354 F358 | C349-K356 HydrophobicContact CB-CB 4.41Å; C349-K356 VanDerWaalsContact CB-O 3.27Å; C349-K356 WeakPolarHBondContact CB-O 3.48Å; C349-K356 PolarHBondContact N-O 3.19Å; C354-K356 PolarHBondContact O-N 2.82Å; C354-K356 VanDerWaalsContact SG-CD 3.56Å; K356-F358 HydrophobicContact CB-CE2 3.8Å; K356-F358 HydrophobicContact CB-CZ 3.74Å; K356-F358 VanDerWaalsContact O-CE2 3.28Å; K356-F358 WeakPolarHBondContact O-CE2 3.41Å | ||
| 357 | R | 74.4 | Confident | 70.7 | Confident | 145 Ų | 145 | 78.6 Ų | 78.6 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 150 | 178.2 | -49.6 | -168.7 | 167.1 | 178.8 | -6.1 | 111.7 | R345 F347 V348 G355 | R345-R357 HydrophobicContact CB-CB 3.45Å; R345-R357 VanDerWaalsContact CB-CB 3.45Å; R345-R357 HydrophobicContact CG-CB 4.38Å; R345-R357 PolarHBondContact NE-O 2.78Å; R345-R357 PolarHBondContact NH2-O 2.68Å; F347-R357 CarbonylContact O-C 3.57Å; F347-R357 WeakPolarHBondContact O-CA 3.4Å; V348-R357 HydrophobicContact CB-CG 4.45Å; V348-R357 HydrophobicContact CG1-CG 4.18Å; V348-R357 HydrophobicContact CG2-CG 3.94Å; G355-R357 WeakPolarHBondContact O-CG 3.4Å; G355-R357 PolarHBondContact O-N 3.04Å |
| 358 | F | 73.9 | Confident | 71.2 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 13% | 0.132 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.9 | -178.3 | -55.6 | -83 | 0 | 0 | 0 | 112 | R345 F347 K356 E363 L364 H367 | R345-F358 CarbonylContact C-O 3.35Å; R345-F358 VanDerWaalsContact C-O 3.27Å; R345-F358 VanDerWaalsContact CA-O 3.32Å; R345-F358 WeakPolarHBondContact CA-O 3.34Å; F347-F358 HydrophobicContact CB-CB 4.19Å; F347-F358 WeakPolarHBondContact CB-O 3.49Å; F347-F358 PolarHBondContact N-O 3.39Å; F347-F358 VanDerWaalsContact N-O 3.1Å; F347-F358 PolarHBondContact O-N 3.3Å; K356-F358 HydrophobicContact CB-CE2 3.8Å; K356-F358 HydrophobicContact CB-CZ 3.74Å; K356-F358 VanDerWaalsContact O-CE2 3.28Å; K356-F358 WeakPolarHBondContact O-CE2 3.41Å; F358-E363 HydrophobicContact CB-CB 4.13Å; F358-E363 HydrophobicContact CB-CG 4.3Å; F358-E363 HydrophobicContact CD1-CB 4.04Å; F358-E363 HydrophobicContact CD1-CG 3.31Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CG-CB 4.23Å; F358-E363 HydrophobicContact CG-CG 4Å; F358-L364 HydrophobicContact CD2-CB 3.96Å; F358-L364 HydrophobicContact CD2-CD1 3.97Å; F358-L364 HydrophobicContact CE2-CD1 4.14Å; F358-L364 HydrophobicContact CG-CB 4.49Å; F358-H367 HydrophobicContact CE1-CB 4.27Å; F358-H367 HydrophobicContact CE2-CB 3.85Å; F358-H367 AromaticContact CE2-CD2 3.32Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.47Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.54Å; F358-H367 AromaticContact CZ-CD2 3.46Å; F358-H367 VanDerWaalsContact CZ-CD2 3.46Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.37Å; F358-H367 AromaticContact CZ-CG 3.42Å; F358-H367 VanDerWaalsContact CZ-CG 3.42Å |
| 359 | T | 66.6 | Low | 71.6 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -84.4 | -15.6 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | R339 R345 | R339-T359 HydrophobicContact CB-CG2 4.07Å; R339-T359 WeakPolarHBondContact CD-O 3.45Å; R339-T359 PolarHBondContact NH1-O 2.83Å; R345-T359 HydrophobicContact CG-CG2 3.99Å |
| 360 | R | 71.6 | Confident | 71.5 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -133.5 | 145.2 | -175.6 | -65.8 | 174.5 | 54.1 | 144.7 | -3.7 | 112.1 | A336 F347 D362 E363 L364 | A336-R360 HydrophobicContact CB-CG 4.05Å; F347-R360 VanDerWaalsContact CE2-C 3.49Å; R360-D362 WeakPolarHBondContact CB-OD1 3.28Å; R360-D362 IonicContact CZ-OD1 3.46Å; R360-D362 VanDerWaalsContact CZ-OD1 3.23Å; R360-D362 IonicContact CZ-OD2 2.68Å; R360-D362 IonicContact NE-OD1 2.69Å; R360-D362 PolarHBondContact NE-OD1 3.41Å; R360-D362 IonicContact NE-OD2 2.72Å; R360-D362 VanDerWaalsContact NH2-CG 3.3Å; R360-D362 IonicContact NH2-OD1 3.61Å; R360-D362 PolarHBondContact NH2-OD1 3.27Å; R360-D362 IonicContact NH2-OD2 2.69Å; R360-D362 PolarHBondContact NH2-OD2 2.85Å; R360-E363 HydrophobicContact CB-CB 4.36Å; R360-E363 PolarHBondContact O-N 3.33Å; R360-L364 PolarHBondContact O-N 3.23Å |
| 361 | S | 72.3 | Confident | 71.7 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 179.5 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | F347 E363 L364 Q365 | F347-S361 VanDerWaalsContact CE2-N 3.33Å; S361-E363 PolarHBondContact O-N 2.82Å; S361-L364 PolarHBondContact O-N 3.34Å; S361-Q365 WeakPolarHBondContact O-CB 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.37Å |
| 362 | D | 75 | Confident | 71.7 | Confident | 53 Ų | 53 | 74 Ų | 74 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.5 | -26.1 | 177.3 | 69.7 | -78.1 | 0 | 0 | 0 | 112.8 | R360 R366 | R360-D362 WeakPolarHBondContact CB-OD1 3.28Å; R360-D362 IonicContact CZ-OD1 3.46Å; R360-D362 VanDerWaalsContact CZ-OD1 3.23Å; R360-D362 IonicContact CZ-OD2 2.68Å; R360-D362 IonicContact NE-OD1 2.69Å; R360-D362 PolarHBondContact NE-OD1 3.41Å; R360-D362 IonicContact NE-OD2 2.72Å; R360-D362 VanDerWaalsContact NH2-CG 3.3Å; R360-D362 IonicContact NH2-OD1 3.61Å; R360-D362 PolarHBondContact NH2-OD1 3.27Å; R360-D362 IonicContact NH2-OD2 2.69Å; R360-D362 PolarHBondContact NH2-OD2 2.85Å; D362-R366 WeakPolarHBondContact O-CB 3.5Å; D362-R366 PolarHBondContact O-N 3.12Å; D362-R366 VanDerWaalsContact O-N 3.08Å; D362-R366 IonicContact OD2-CZ 2.61Å; D362-R366 IonicContact OD2-NH2 2.67Å; D362-R366 PolarHBondContact OD2-NH2 3.16Å |
| 363 | E | 75.9 | Confident | 72 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.2 | -48.3 | 172.8 | -163.7 | 64.3 | -113.7 | 0 | 0 | 111 | F358 R360 S361 Q365 R366 H367 | F358-E363 HydrophobicContact CB-CB 4.13Å; F358-E363 HydrophobicContact CB-CG 4.3Å; F358-E363 HydrophobicContact CD1-CB 4.04Å; F358-E363 HydrophobicContact CD1-CG 3.31Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CG-CB 4.23Å; F358-E363 HydrophobicContact CG-CG 4Å; R360-E363 HydrophobicContact CB-CB 4.36Å; R360-E363 PolarHBondContact O-N 3.33Å; S361-E363 PolarHBondContact O-N 2.82Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 2.92Å; E363-R366 WeakPolarHBondContact O-CB 3.36Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.64Å; E363-R366 IonicContact OE1-NH1 3.78Å; E363-R366 PolarHBondContact OE1-NH1 3.28Å; E363-R366 IonicContact OE2-CZ 2.78Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; E363-H367 WeakPolarHBondContact O-CB 3.39Å; E363-H367 PolarHBondContact O-N 3.36Å |
| 364 | L | 77.9 | Confident | 72 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 174 | 173.9 | 61.5 | 0 | 0 | 0 | 111.4 | F347 V348 C349 F358 R360 S361 R366 H367 L368 | F347-L364 HydrophobicContact CB-CB 3.92Å; F347-L364 HydrophobicContact CB-CD2 3.79Å; F347-L364 HydrophobicContact CB-CG 4.45Å; V348-L364 WeakPolarHBondContact O-CD2 3.14Å; C349-L364 HydrophobicContact CB-CD1 4.07Å; F358-L364 HydrophobicContact CD2-CB 3.96Å; F358-L364 HydrophobicContact CD2-CD1 3.97Å; F358-L364 HydrophobicContact CE2-CD1 4.14Å; F358-L364 HydrophobicContact CG-CB 4.49Å; R360-L364 PolarHBondContact O-N 3.23Å; S361-L364 PolarHBondContact O-N 3.34Å; L364-R366 PolarHBondContact O-N 3.4Å; L364-H367 PolarHBondContact O-N 3.4Å; L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CD2 4.47Å; L364-L368 HydrophobicContact CD1-CG 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.96Å; L364-L368 HydrophobicContact CG-CG 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 2.8Å |
| 365 | Q | 75.4 | Confident | 71.8 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69 | -17.4 | 177.2 | -72.7 | -65.7 | -25.5 | 0 | 0 | 113.7 | S361 E363 R369 | S361-Q365 WeakPolarHBondContact O-CB 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.37Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 2.92Å; Q365-R369 PolarHBondContact O-NE 3.17Å; Q365-R369 PolarHBondContact O-NH2 3.39Å; Q365-R369 VanDerWaalsContact O-NH2 3.12Å |
| 366 | R | 76.7 | Confident | 72.3 | Confident | 55 Ų | 55 | 72 Ų | 72 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -85 | -39 | 169.6 | -168 | -176.7 | -53.7 | 103.6 | 6.8 | 111.1 | D362 E363 L364 R369 R388 | D362-R366 WeakPolarHBondContact O-CB 3.5Å; D362-R366 PolarHBondContact O-N 3.12Å; D362-R366 VanDerWaalsContact O-N 3.08Å; D362-R366 IonicContact OD2-CZ 2.61Å; D362-R366 IonicContact OD2-NH2 2.67Å; D362-R366 PolarHBondContact OD2-NH2 3.16Å; E363-R366 WeakPolarHBondContact O-CB 3.36Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.64Å; E363-R366 IonicContact OE1-NH1 3.78Å; E363-R366 PolarHBondContact OE1-NH1 3.28Å; E363-R366 IonicContact OE2-CZ 2.78Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; L364-R366 PolarHBondContact O-N 3.4Å; R366-R369 WeakPolarHBondContact O-CB 3.03Å; R366-R369 PolarHBondContact O-N 3.15Å; R366-R388 HydrophobicContact CG-CG 4.28Å |
| 367 | H | 80.4 | Confident | 72.5 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 176.3 | 172.2 | 46.4 | 0 | 0 | 0 | 112.7 | C349 C354 F358 E363 L364 R369 T370 H371 | C349-H367 PolarHBondContact SG-NE2 3.03Å; C354-H367 PolarHBondContact SG-CE1 3.22Å; C354-H367 PolarHBondContact SG-NE2 2.92Å; F358-H367 HydrophobicContact CE1-CB 4.27Å; F358-H367 HydrophobicContact CE2-CB 3.85Å; F358-H367 AromaticContact CE2-CD2 3.32Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.47Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.54Å; F358-H367 AromaticContact CZ-CD2 3.46Å; F358-H367 VanDerWaalsContact CZ-CD2 3.46Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.37Å; F358-H367 AromaticContact CZ-CG 3.42Å; F358-H367 VanDerWaalsContact CZ-CG 3.42Å; E363-H367 WeakPolarHBondContact O-CB 3.39Å; E363-H367 PolarHBondContact O-N 3.36Å; L364-H367 PolarHBondContact O-N 3.4Å; H367-R369 PolarHBondContact O-N 3.11Å; H367-R369 VanDerWaalsContact O-N 3.12Å; H367-T370 PolarHBondContact ND1-OG1 3.04Å; H367-T370 WeakPolarHBondContact O-CB 3.11Å; H367-T370 WeakPolarHBondContact O-CG2 3.45Å; H367-T370 PolarHBondContact O-N 3.35Å; H367-T370 PolarHBondContact O-OG1 3.24Å; H367-H371 AromaticContact CE1-CD2 3.99Å; H367-H371 AromaticContact CE1-CE1 3.78Å; H367-H371 AromaticContact CE1-NE2 3.22Å; H367-H371 PolarHBondContact CE1-NE2 3.4Å; H367-H371 AromaticContact NE2-CD2 3.93Å; H367-H371 AromaticContact NE2-NE2 3.12Å; H367-H371 PolarHBondContact NE2-NE2 2.97Å; H367-H371 VanDerWaalsContact NE2-NE2 3.12Å |
| 368 | L | 75.3 | Confident | 72.8 | Confident | 54 Ų | 54 | 65 Ų | 65 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -28.4 | 176.7 | -73.4 | 166.3 | 0 | 0 | 0 | 112.7 | L364 T370 H371 T372 | L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CD2 4.47Å; L364-L368 HydrophobicContact CD1-CG 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.96Å; L364-L368 HydrophobicContact CG-CG 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 2.8Å; L368-T370 VanDerWaalsContact C-N 3.26Å; L368-T370 PolarHBondContact O-N 2.85Å; L368-H371 PolarHBondContact O-N 3.09Å; L368-T372 PolarHBondContact O-N 3.44Å |
| 369 | R | 75 | Confident | 73.2 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -20.9 | 172.4 | -73.3 | 172.3 | -100.9 | 172.6 | -7.7 | 114.1 | Q365 R366 H367 H371 T372 G373 E374 M387 | Q365-R369 PolarHBondContact O-NE 3.17Å; Q365-R369 PolarHBondContact O-NH2 3.39Å; Q365-R369 VanDerWaalsContact O-NH2 3.12Å; R366-R369 WeakPolarHBondContact O-CB 3.03Å; R366-R369 PolarHBondContact O-N 3.15Å; H367-R369 PolarHBondContact O-N 3.11Å; H367-R369 VanDerWaalsContact O-N 3.12Å; R369-H371 VanDerWaalsContact C-N 3.29Å; R369-T372 PolarHBondContact O-OG1 3.46Å; R369-G373 PolarHBondContact O-N 2.98Å; R369-E374 PolarHBondContact O-N 3.18Å; R369-M387 HydrophobicContact CB-CG 4.02Å; R369-M387 HydrophobicContact CB-SD 3.9Å |
| 370 | T | 72.6 | Confident | 73.9 | Confident | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -30.9 | 174.4 | 74 | 0 | 0 | 0 | 0 | 111 | H367 L368 M387 | H367-T370 PolarHBondContact ND1-OG1 3.04Å; H367-T370 WeakPolarHBondContact O-CB 3.11Å; H367-T370 WeakPolarHBondContact O-CG2 3.45Å; H367-T370 PolarHBondContact O-N 3.35Å; H367-T370 PolarHBondContact O-OG1 3.24Å; L368-T370 VanDerWaalsContact C-N 3.26Å; L368-T370 PolarHBondContact O-N 2.85Å; T370-M387 HydrophobicContact CG2-CE 3.77Å; T370-M387 HydrophobicContact CG2-SD 4.01Å |
| 371 | H | 71.4 | Confident | 74.3 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.5 | -34.5 | 175.1 | -60.8 | -55.1 | 0 | 0 | 0 | 112.6 | C349 W351 C354 H367 L368 R369 | C349-H371 PolarHBondContact SG-NE2 2.87Å; W351-H371 HydrophobicContact CD2-CB 3.97Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.66Å; W351-H371 AromaticContact CE3-CG 3.89Å; W351-H371 AromaticContact CG-CE1 3.93Å; W351-H371 AromaticContact CG-ND1 3.99Å; W351-H371 AromaticContact CG-NE2 3.98Å; W351-H371 HydrophobicContact CH2-CB 4.14Å; W351-H371 HydrophobicContact CZ2-CB 4.42Å; W351-H371 HydrophobicContact CZ3-CB 3.75Å; C354-H371 PolarHBondContact SG-CE1 3.43Å; C354-H371 PolarHBondContact SG-NE2 2.89Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å; H367-H371 AromaticContact CE1-CD2 3.99Å; H367-H371 AromaticContact CE1-CE1 3.78Å; H367-H371 AromaticContact CE1-NE2 3.22Å; H367-H371 PolarHBondContact CE1-NE2 3.4Å; H367-H371 AromaticContact NE2-CD2 3.93Å; H367-H371 AromaticContact NE2-NE2 3.12Å; H367-H371 PolarHBondContact NE2-NE2 2.97Å; H367-H371 VanDerWaalsContact NE2-NE2 3.12Å; L368-H371 PolarHBondContact O-N 3.09Å; R369-H371 VanDerWaalsContact C-N 3.29Å |
| 372 | T | 68.7 | Low | 74.9 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 56% | 0.564 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -86.5 | -5.9 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | L368 R369 E374 | L368-T372 PolarHBondContact O-N 3.44Å; R369-T372 PolarHBondContact O-OG1 3.46Å; T372-E374 PolarHBondContact O-N 2.79Å; T372-E374 VanDerWaalsContact O-N 3.11Å |
| 373 | G | 63.5 | Low | 75.2 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | R369 K375 | R369-G373 PolarHBondContact O-N 2.98Å; G373-K375 PolarHBondContact O-N 3.31Å |
| 374 | E | 61.2 | Low | 75.3 | Confident | 77 Ų | 77 | 71.1 Ų | 71.1 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | trans | -77 | 96.1 | -161.1 | -159.9 | -161.7 | 152.3 | 0 | 0 | 113.5 | R369 T372 R376 | R369-E374 PolarHBondContact O-N 3.18Å; T372-E374 PolarHBondContact O-N 2.79Å; T372-E374 VanDerWaalsContact O-N 3.11Å; E374-R376 HydrophobicContact CG-CG 4.07Å; E374-R376 PolarHBondContact O-N 2.61Å; E374-R376 WeakPolarHBondContact OE1-CD 3.32Å; E374-R376 WeakPolarHBondContact OE1-CG 3.4Å; E374-R376 IonicContact OE1-CZ 3.12Å; E374-R376 IonicContact OE1-NE 2.84Å; E374-R376 IonicContact OE1-NH1 3.45Å; E374-R376 PolarHBondContact OE1-NH1 2.98Å; E374-R376 IonicContact OE2-CZ 3.41Å; E374-R376 IonicContact OE2-NH1 3.54Å; E374-R376 PolarHBondContact OE2-NH1 3.1Å | ||
| 375 | K | 68 | Low | 75.4 | Confident | 116 Ų | 116 | 77.8 Ų | 77.8 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | trans | -85.9 | 82.7 | 178.2 | -65.6 | 171 | 179 | 175.4 | 0 | 111.6 | G373 R385 F386 M387 | G373-K375 PolarHBondContact O-N 3.31Å; K375-R385 HydrophobicContact CB-CB 3.71Å; K375-R385 HydrophobicContact CD-CB 4.49Å; K375-R385 PolarHBondContact O-NE 3.31Å; K375-R385 PolarHBondContact O-NH2 3.22Å; K375-F386 CarbonylContact C-O 3.55Å; K375-F386 WeakPolarHBondContact CA-O 3.28Å; K375-M387 HydrophobicContact CG-CB 4.48Å | ||
| 376 | R | 72.4 | Confident | 75.5 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 50% | 0.498 | 38% | 0.383 | S | S | . | . | trans | -73.3 | -24.8 | -179.2 | -72.9 | -161.2 | -87.1 | -107 | 3.9 | 116 | E374 F386 | E374-R376 HydrophobicContact CG-CG 4.07Å; E374-R376 PolarHBondContact O-N 2.61Å; E374-R376 WeakPolarHBondContact OE1-CD 3.32Å; E374-R376 WeakPolarHBondContact OE1-CG 3.4Å; E374-R376 IonicContact OE1-CZ 3.12Å; E374-R376 IonicContact OE1-NE 2.84Å; E374-R376 IonicContact OE1-NH1 3.45Å; E374-R376 PolarHBondContact OE1-NH1 2.98Å; E374-R376 IonicContact OE2-CZ 3.41Å; E374-R376 IonicContact OE2-NH1 3.54Å; E374-R376 PolarHBondContact OE2-NH1 3.1Å; R376-F386 PolarHBondContact N-O 3.33Å | ||
| 377 | F | 73.5 | Confident | 75.5 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 98.8 | -168.1 | -61.7 | -76.7 | 0 | 0 | 0 | 111.9 | R385 F386 L392 | F377-R385 CarbonylContact O-C 3.58Å; F377-R385 WeakPolarHBondContact O-CA 3.32Å; F377-F386 HydrophobicContact CB-CB 4.25Å; F377-F386 WeakPolarHBondContact CB-O 3.48Å; F377-F386 PolarHBondContact N-O 2.74Å; F377-F386 PolarHBondContact O-N 3.22Å; F377-L392 HydrophobicContact CB-CB 4.22Å; F377-L392 HydrophobicContact CB-CD2 4.15Å |
| 378 | A | 81 | Confident | 75.3 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 142.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R385 L392 | A378-R385 HydrophobicContact CB-CG 4.29Å; A378-L392 WeakPolarHBondContact O-CD1 3.41Å |
| 379 | C | 83.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -76.7 | 124.3 | 169.5 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | V381 N383 K384 F386 L392 H399 | C379-V381 PolarHBondContact O-N 3.48Å; C379-N383 WeakPolarHBondContact O-CA 3.46Å; C379-N383 PolarHBondContact O-N 3.32Å; C379-K384 PolarHBondContact N-O 3.12Å; C379-F386 HydrophobicContact CB-CE2 4.36Å; C379-L392 HydrophobicContact CB-CD1 4.03Å; C379-H399 PolarHBondContact SG-NE2 2.78Å | ||
| 380 | P | 80.2 | Confident | 75.9 | Confident | 106 Ų | 106 | 78.3 Ų | 78.3 | 69% | 0.688 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.7 | -179.8 | 27.8 | -35.2 | 0 | 0 | 0 | 113.6 | ||
| 381 | V | 81.6 | Confident | 76.4 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -35.2 | -177.1 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | C379 H399 | C379-V381 PolarHBondContact O-N 3.48Å; V381-H399 HydrophobicContact CB-CB 4.35Å; V381-H399 HydrophobicContact CG1-CB 4.06Å; V381-H399 HydrophobicContact CG2-CB 4.22Å |
| 382 | C | 84.7 | Confident | 77.1 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 11.2 | -173.2 | 71.5 | 0 | 0 | 0 | 0 | 114.6 | K384 H395 H399 | C382-K384 PolarHBondContact O-N 3.22Å; C382-K384 VanDerWaalsContact SG-CG 3.59Å; C382-H395 PolarHBondContact SG-NE2 3.43Å; C382-H399 VanDerWaalsContact SG-CE1 3.58Å; C382-H399 PolarHBondContact SG-NE2 3.18Å; C382-H399 VanDerWaalsContact SG-NE2 3.36Å |
| 383 | N | 80.2 | Confident | 77.8 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 66% | 0.658 | 40% | 0.399 | S | S | * | . | trans | 54.6 | 7.9 | 179.1 | -68.9 | -57.5 | 0 | 0 | 0 | 117 | C379 R385 | C379-N383 WeakPolarHBondContact O-CA 3.46Å; C379-N383 PolarHBondContact O-N 3.32Å; N383-R385 PolarHBondContact O-N 3.43Å | ||
| 384 | K | 78.6 | Confident | 78.9 | Confident | 125 Ų | 125 | 80.3 Ų | 80.3 | 54% | 0.543 | 40% | 0.402 | S | S | . | . | trans | -58.7 | 126.2 | 173 | -70.6 | 179.8 | -167.9 | -70.4 | 0 | 110.1 | C379 C382 F386 | C379-K384 PolarHBondContact N-O 3.12Å; C382-K384 PolarHBondContact O-N 3.22Å; C382-K384 VanDerWaalsContact SG-CG 3.59Å; K384-F386 HydrophobicContact CB-CE2 3.84Å; K384-F386 HydrophobicContact CB-CZ 4.1Å; K384-F386 WeakPolarHBondContact O-CD2 3.49Å; K384-F386 VanDerWaalsContact O-CE2 3.26Å; K384-F386 WeakPolarHBondContact O-CE2 3.34Å | ||
| 385 | R | 79.2 | Confident | 80.1 | Confident | 161 Ų | 161 | 78.1 Ų | 78.1 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.3 | -177 | -58.7 | 177.9 | 65.1 | 162.6 | 1.8 | 111.5 | K375 F377 A378 N383 | K375-R385 HydrophobicContact CB-CB 3.71Å; K375-R385 HydrophobicContact CD-CB 4.49Å; K375-R385 PolarHBondContact O-NE 3.31Å; K375-R385 PolarHBondContact O-NH2 3.22Å; F377-R385 CarbonylContact O-C 3.58Å; F377-R385 WeakPolarHBondContact O-CA 3.32Å; A378-R385 HydrophobicContact CB-CG 4.29Å; N383-R385 PolarHBondContact O-N 3.43Å |
| 386 | F | 79.1 | Confident | 80.8 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 20% | 0.202 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.9 | -179.5 | -60.2 | -90.7 | 0 | 0 | 0 | 110.7 | K375 R376 F377 C379 K384 R388 H391 L392 H395 | K375-F386 CarbonylContact C-O 3.55Å; K375-F386 WeakPolarHBondContact CA-O 3.28Å; R376-F386 PolarHBondContact N-O 3.33Å; F377-F386 HydrophobicContact CB-CB 4.25Å; F377-F386 WeakPolarHBondContact CB-O 3.48Å; F377-F386 PolarHBondContact N-O 2.74Å; F377-F386 PolarHBondContact O-N 3.22Å; C379-F386 HydrophobicContact CB-CE2 4.36Å; K384-F386 HydrophobicContact CB-CE2 3.84Å; K384-F386 HydrophobicContact CB-CZ 4.1Å; K384-F386 WeakPolarHBondContact O-CD2 3.49Å; K384-F386 VanDerWaalsContact O-CE2 3.26Å; K384-F386 WeakPolarHBondContact O-CE2 3.34Å; F386-R388 VanDerWaalsContact C-N 3.33Å; F386-H391 HydrophobicContact CD1-CB 3.96Å; F386-L392 HydrophobicContact CD2-CB 4.28Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CE2-CD1 4.2Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 HydrophobicContact CE2-CB 4.09Å; F386-H395 AromaticContact CE2-CD2 3.35Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.37Å; F386-H395 AromaticContact CE2-CG 3.86Å; F386-H395 HydrophobicContact CZ-CB 3.62Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.46Å; F386-H395 AromaticContact CZ-CG 3.4Å |
| 387 | M | 75.1 | Confident | 81.4 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 27% | 0.271 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -82.6 | -13.6 | 174.7 | -177.8 | 165.4 | 46.6 | 0 | 0 | 112.8 | R369 T370 K375 | R369-M387 HydrophobicContact CB-CG 4.02Å; R369-M387 HydrophobicContact CB-SD 3.9Å; T370-M387 HydrophobicContact CG2-CE 3.77Å; T370-M387 HydrophobicContact CG2-SD 4.01Å; K375-M387 HydrophobicContact CG-CB 4.48Å |
| 388 | R | 76.6 | Confident | 81.8 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | trans | -134.6 | 139.9 | -175.7 | -67.2 | 170.6 | 51.7 | 164.8 | -3 | 111.8 | R366 F386 D390 H391 L392 | R366-R388 HydrophobicContact CG-CG 4.28Å; F386-R388 VanDerWaalsContact C-N 3.33Å; R388-D390 WeakPolarHBondContact CB-OD1 3.21Å; R388-D390 IonicContact CZ-OD1 3.85Å; R388-D390 IonicContact CZ-OD2 3.91Å; R388-D390 IonicContact NE-OD1 3.91Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 2.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.3Å; R388-D390 IonicContact NH2-OD1 4Å; R388-D390 PolarHBondContact NH2-OD1 3.23Å; R388-D390 VanDerWaalsContact NH2-OD1 3.12Å; R388-D390 IonicContact NH2-OD2 3.23Å; R388-D390 PolarHBondContact NH2-OD2 3.46Å; R388-H391 HydrophobicContact CB-CB 4.33Å; R388-H391 PolarHBondContact O-N 2.69Å; R388-L392 PolarHBondContact O-N 2.76Å | ||
| 389 | S | 80.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 177 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | H391 L392 S393 | S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 3.44Å; S389-L392 WeakPolarHBondContact O-CB 3.47Å; S389-L392 PolarHBondContact O-N 3.02Å; S389-S393 PolarHBondContact O-N 3.41Å; S389-S393 PolarHBondContact O-OG 3.33Å; S389-S393 VanDerWaalsContact O-OG 3.06Å |
| 390 | D | 82.5 | Confident | 81.1 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.7 | -31.1 | 177.9 | 70.5 | -65.9 | 0 | 0 | 0 | 112.7 | R388 K394 | R388-D390 WeakPolarHBondContact CB-OD1 3.21Å; R388-D390 IonicContact CZ-OD1 3.85Å; R388-D390 IonicContact CZ-OD2 3.91Å; R388-D390 IonicContact NE-OD1 3.91Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 2.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.3Å; R388-D390 IonicContact NH2-OD1 4Å; R388-D390 PolarHBondContact NH2-OD1 3.23Å; R388-D390 VanDerWaalsContact NH2-OD1 3.12Å; R388-D390 IonicContact NH2-OD2 3.23Å; R388-D390 PolarHBondContact NH2-OD2 3.46Å; D390-K394 VanDerWaalsContact O-CG 3.32Å; D390-K394 WeakPolarHBondContact O-CG 3.12Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 VanDerWaalsContact O-N 3.07Å |
| 391 | H | 83.6 | Confident | 80.3 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 170.1 | -65.4 | -27.5 | 0 | 0 | 0 | 111.5 | F386 R388 S389 S393 K394 H395 | F386-H391 HydrophobicContact CD1-CB 3.96Å; R388-H391 HydrophobicContact CB-CB 4.33Å; R388-H391 PolarHBondContact O-N 2.69Å; S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 3.44Å; H391-S393 PolarHBondContact O-N 2.85Å; H391-K394 PolarHBondContact O-N 2.82Å; H391-H395 WeakPolarHBondContact O-CB 3.18Å; H391-H395 PolarHBondContact O-N 2.94Å |
| 392 | L | 85.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.5 | -50.8 | 170.5 | 179.2 | 77.2 | 0 | 0 | 0 | 111 | F377 A378 C379 F386 R388 S389 K394 H395 V396 | F377-L392 HydrophobicContact CB-CB 4.22Å; F377-L392 HydrophobicContact CB-CD2 4.15Å; A378-L392 WeakPolarHBondContact O-CD1 3.41Å; C379-L392 HydrophobicContact CB-CD1 4.03Å; F386-L392 HydrophobicContact CD2-CB 4.28Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CE2-CD1 4.2Å; R388-L392 PolarHBondContact O-N 2.76Å; S389-L392 WeakPolarHBondContact O-CB 3.47Å; S389-L392 PolarHBondContact O-N 3.02Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.31Å; L392-H395 CarbonylContact O-C 3.59Å; L392-H395 PolarHBondContact O-N 2.92Å; L392-H395 VanDerWaalsContact O-N 3.08Å; L392-V396 HydrophobicContact CD1-CG2 4.24Å; L392-V396 HydrophobicContact CG-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.4Å |
| 393 | S | 84.3 | Confident | 77.7 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -28.3 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | S389 H391 K397 | S389-S393 PolarHBondContact O-N 3.41Å; S389-S393 PolarHBondContact O-OG 3.33Å; S389-S393 VanDerWaalsContact O-OG 3.06Å; H391-S393 PolarHBondContact O-N 2.85Å; S393-K397 WeakPolarHBondContact O-CD 3.27Å; S393-K397 WeakPolarHBondContact O-CE 3.48Å; S393-K397 WeakPolarHBondContact O-CG 3.49Å |
| 394 | K | 85.3 | Confident | 76.4 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 55% | 0.548 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.3 | -43 | 169.9 | -74.2 | 168.8 | 180 | 174.1 | 0 | 111.3 | D390 H391 L392 K397 | D390-K394 VanDerWaalsContact O-CG 3.32Å; D390-K394 WeakPolarHBondContact O-CG 3.12Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 VanDerWaalsContact O-N 3.07Å; H391-K394 PolarHBondContact O-N 2.82Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.31Å; K394-K397 WeakPolarHBondContact O-CB 3.13Å; K394-K397 PolarHBondContact O-N 3.16Å |
| 395 | H | 86.2 | Confident | 74.8 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 14% | 0.144 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | 179.5 | 177 | 55.9 | 0 | 0 | 0 | 113.5 | C382 F386 H391 L392 K397 T398 H399 | C382-H395 PolarHBondContact SG-NE2 3.43Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 HydrophobicContact CE2-CB 4.09Å; F386-H395 AromaticContact CE2-CD2 3.35Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.37Å; F386-H395 AromaticContact CE2-CG 3.86Å; F386-H395 HydrophobicContact CZ-CB 3.62Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.46Å; F386-H395 AromaticContact CZ-CG 3.4Å; H391-H395 WeakPolarHBondContact O-CB 3.18Å; H391-H395 PolarHBondContact O-N 2.94Å; L392-H395 CarbonylContact O-C 3.59Å; L392-H395 PolarHBondContact O-N 2.92Å; L392-H395 VanDerWaalsContact O-N 3.08Å; H395-K397 PolarHBondContact O-N 2.84Å; H395-T398 PolarHBondContact ND1-OG1 2.81Å; H395-T398 PolarHBondContact O-N 3.27Å; H395-T398 PolarHBondContact O-OG1 3.27Å; H395-H399 AromaticContact CD2-NE2 3.82Å; H395-H399 AromaticContact CE1-CE1 3.91Å; H395-H399 AromaticContact CE1-NE2 3.27Å; H395-H399 PolarHBondContact CE1-NE2 2.86Å; H395-H399 VanDerWaalsContact CE1-NE2 3.27Å; H395-H399 AromaticContact NE2-CD2 3.94Å; H395-H399 AromaticContact NE2-CE1 3.92Å; H395-H399 AromaticContact NE2-NE2 3.02Å; H395-H399 PolarHBondContact NE2-NE2 3.1Å; H395-H399 PolarHBondContact O-CD2 2.88Å |
| 396 | V | 83.7 | Confident | 73.1 | Confident | 45 Ų | 45 | 75.3 Ų | 75.3 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.1 | -35.9 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | L392 T398 H399 S400 | L392-V396 HydrophobicContact CD1-CG2 4.24Å; L392-V396 HydrophobicContact CG-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.4Å; V396-T398 VanDerWaalsContact C-N 3.27Å; V396-T398 PolarHBondContact O-N 2.96Å; V396-H399 WeakPolarHBondContact O-CB 3.44Å; V396-H399 PolarHBondContact O-N 3.17Å; V396-H399 VanDerWaalsContact O-N 3.16Å; V396-S400 PolarHBondContact O-N 3.41Å; V396-S400 PolarHBondContact O-OG 3.45Å |
| 397 | K | 85 | Confident | 72.1 | Confident | 144 Ų | 144 | 79.8 Ų | 79.8 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -23.3 | 175.8 | -64.9 | 169.3 | -174.9 | -173.6 | 0 | 113.9 | S393 K394 H395 H399 S400 A401 | S393-K397 WeakPolarHBondContact O-CD 3.27Å; S393-K397 WeakPolarHBondContact O-CE 3.48Å; S393-K397 WeakPolarHBondContact O-CG 3.49Å; K394-K397 WeakPolarHBondContact O-CB 3.13Å; K394-K397 PolarHBondContact O-N 3.16Å; H395-K397 PolarHBondContact O-N 2.84Å; K397-H399 VanDerWaalsContact C-N 3.3Å; K397-S400 PolarHBondContact O-N 2.73Å; K397-A401 PolarHBondContact O-N 3.07Å |
| 398 | T | 81.4 | Confident | 70.6 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.7 | -25.5 | 175.1 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | H395 V396 | H395-T398 PolarHBondContact ND1-OG1 2.81Å; H395-T398 PolarHBondContact O-N 3.27Å; H395-T398 PolarHBondContact O-OG1 3.27Å; V396-T398 VanDerWaalsContact C-N 3.27Å; V396-T398 PolarHBondContact O-N 2.96Å |
| 399 | H | 78.5 | Confident | 69.2 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 26% | 0.259 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.4 | -33 | 170.6 | -60.7 | -68.7 | 0 | 0 | 0 | 112.1 | C379 V381 C382 H395 V396 K397 A401 | C379-H399 PolarHBondContact SG-NE2 2.78Å; V381-H399 HydrophobicContact CB-CB 4.35Å; V381-H399 HydrophobicContact CG1-CB 4.06Å; V381-H399 HydrophobicContact CG2-CB 4.22Å; C382-H399 VanDerWaalsContact SG-CE1 3.58Å; C382-H399 PolarHBondContact SG-NE2 3.18Å; C382-H399 VanDerWaalsContact SG-NE2 3.36Å; H395-H399 AromaticContact CD2-NE2 3.82Å; H395-H399 AromaticContact CE1-CE1 3.91Å; H395-H399 AromaticContact CE1-NE2 3.27Å; H395-H399 PolarHBondContact CE1-NE2 2.86Å; H395-H399 VanDerWaalsContact CE1-NE2 3.27Å; H395-H399 AromaticContact NE2-CD2 3.94Å; H395-H399 AromaticContact NE2-CE1 3.92Å; H395-H399 AromaticContact NE2-NE2 3.02Å; H395-H399 PolarHBondContact NE2-NE2 3.1Å; H395-H399 PolarHBondContact O-CD2 2.88Å; V396-H399 WeakPolarHBondContact O-CB 3.44Å; V396-H399 PolarHBondContact O-N 3.17Å; V396-H399 VanDerWaalsContact O-N 3.16Å; K397-H399 VanDerWaalsContact C-N 3.3Å; H399-A401 VanDerWaalsContact C-N 3.33Å; H399-A401 PolarHBondContact O-N 3.48Å |
| 400 | S | 71.6 | Confident | 67.7 | Low | 102 Ų | 102 | 83.9 Ų | 83.9 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.9 | -21 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 114.2 | V396 K397 | V396-S400 PolarHBondContact O-N 3.41Å; V396-S400 PolarHBondContact O-OG 3.45Å; K397-S400 PolarHBondContact O-N 2.73Å |
| 401 | A | 62.3 | Low | 65.4 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 79% | 0.785 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | K397 H399 | K397-A401 PolarHBondContact O-N 3.07Å; H399-A401 VanDerWaalsContact C-N 3.33Å; H399-A401 PolarHBondContact O-N 3.48Å |
| 402 | G | 56.9 | Low | 64 | Low | 45 Ų | 45 | 87.5 Ų | 87.5 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -143.2 | 88.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 403 | G | 55.8 | Low | 61.8 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | trans | -60.2 | 144.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 404 | S | 51.9 | Low | 59.7 | Low | 129 Ų | 129 | 90.1 Ų | 90.1 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | trans | 51.4 | 92.6 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 405 | A | 45.2 | Very low | 57.5 | Low | 101 Ų | 101 | 94 Ų | 94 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | -137.6 | 117.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 406 | G | 45.1 | Very low | 55.2 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -70.5 | 173.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G408 | G406-G408 PolarHBondContact O-N 3.5Å; G406-G408 VanDerWaalsContact O-N 3.1Å | ||
| 407 | S | 57 | Low | 53 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 99% | 0.986 | 76% | 0.759 | S | S | * | * | trans | -48.9 | 114 | 171.9 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 408 | G | 42.8 | Very low | 51 | Low | 71 Ų | 71 | 104.7 Ų | 104.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -150.5 | 130.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G406 | G406-G408 PolarHBondContact O-N 3.5Å; G406-G408 VanDerWaalsContact O-N 3.1Å | ||
| 409 | S | 47.3 | Very low | 48.7 | Very low | 125 Ų | 125 | 107.8 Ų | 107.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -57.5 | 157.3 | -176.8 | -48.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 410 | G | 48.8 | Very low | 46.8 | Very low | 86 Ų | 86 | 111.5 Ų | 111.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 38.4 | 96.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 411 | G | 35.9 | Very low | 44.9 | Very low | 79 Ų | 79 | 113.3 Ų | 113.3 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -152.5 | 81.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G413 | G411-G413 PolarHBondContact O-N 3.19Š| ||
| 412 | S | 52.4 | Low | 43.7 | Very low | 132 Ų | 132 | 113 Ų | 113 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | trans | -72.6 | 110.4 | 169.6 | 47 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 413 | G | 40.9 | Very low | 42.4 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 179 | 118.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G411 | G411-G413 PolarHBondContact O-N 3.19Š| ||
| 414 | G | 40 | Very low | 41.5 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 156.2 | 65.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 415 | K | 38.2 | Very low | 40.5 | Very low | 209 Ų | 209 | 123.7 Ų | 123.7 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | 65.2 | 114 | 151.4 | -62.7 | 175.6 | 178.1 | 177.4 | 0 | 118.2 | ||||
| 416 | R | 39.1 | Very low | 40.1 | Very low | 257 Ų | 257 | 123.4 Ų | 123.4 | 97% | 0.97 | 82% | 0.819 | S | S | * | * | trans | -54.3 | 134.7 | 174.5 | -65.1 | -179.3 | -76 | -104.5 | 4.7 | 112.5 | ||||
| 417 | G | 37.8 | Very low | 39.7 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -135.3 | 62.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D419 | G417-D419 PolarHBondContact O-N 3.11Å; G417-D419 VanDerWaalsContact O-N 3.17Å | ||
| 418 | S | 42.7 | Very low | 38.4 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 45.3 | 46.7 | 163.2 | -51.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 419 | D | 32.1 | Very low | 37.9 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -89.3 | 108.8 | 152.8 | -73.7 | -54.9 | 0 | 0 | 0 | 107.6 | G417 D421 | G417-D419 PolarHBondContact O-N 3.11Å; G417-D419 VanDerWaalsContact O-N 3.17Å; D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.25Å | ||
| 420 | T | 39.1 | Very low | 37.5 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 82.4 | 173.8 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | D | 30.9 | Very low | 36.9 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 121.7 | 160 | -148.8 | -65.1 | 0 | 0 | 0 | 108.2 | D419 | D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.25Å | ||
| 422 | S | 37.7 | Very low | 36.6 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | trans | -115.4 | 72.7 | -179.2 | -66.8 | 0 | 0 | 0 | 0 | 108.6 | H424 | S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.07Å | ||
| 423 | E | 29.9 | Very low | 35.6 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -60.7 | 107.9 | 158.3 | -60.4 | -143 | 110.2 | 0 | 0 | 108.1 | ||||
| 424 | H | 36.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -104.8 | 118.2 | 162.8 | -84.7 | 69.9 | 0 | 0 | 0 | 107.9 | S422 | S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.07Å | ||
| 425 | S | 32 | Very low | 35.2 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 150.9 | 168.3 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 426 | A | 35.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 427 | P | 36.2 | Very low | 34.6 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 134.4 | 155.5 | 31.2 | -30.1 | 0 | 0 | 0 | 108.6 | ||
| 428 | G | 29.7 | Very low | 34.2 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 144.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 429 | S | 32.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.8 | 170.6 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 430 | P | 40.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 144.3 | 161.8 | 30.8 | -32.6 | 0 | 0 | 0 | 109.5 | C432 | P430-C432 PolarHBondContact O-N 3.15Š|
| 431 | P | 35.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 124.3 | -178.8 | 28.7 | -33.7 | 0 | 0 | 0 | 111.2 | H433 | P431-H433 PolarHBondContact O-N 3.28Å; P431-H433 VanDerWaalsContact O-N 3.15Å |
| 432 | C | 28.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 89.8 | 170.5 | 51 | 0 | 0 | 0 | 0 | 110.4 | P430 | P430-C432 PolarHBondContact O-N 3.15Š| ||
| 433 | H | 32.7 | Very low | 33.9 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82 | 121.7 | 163.2 | -91 | -90.8 | 0 | 0 | 0 | 110 | P431 | P431-H433 PolarHBondContact O-N 3.28Å; P431-H433 VanDerWaalsContact O-N 3.15Å |
| 434 | S | 32.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144 | 165.2 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 435 | P | 38.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 125.4 | 174.8 | 32.4 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 436 | D | 31.2 | Very low | 34.3 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -115.9 | 156.1 | 165.7 | -139.3 | -56.4 | 0 | 0 | 0 | 110.2 | ||||
| 437 | L | 34.3 | Very low | 34.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -52.8 | 141.2 | -150.5 | -64.6 | 155.9 | 0 | 0 | 0 | 118.5 | ||||
| 438 | L | 29.8 | Very low | 34.5 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -59.6 | 132.8 | 152.3 | -66.6 | 160 | 0 | 0 | 0 | 108.4 | ||||
| 439 | H | 32.2 | Very low | 35 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 156.4 | 172.5 | 76.6 | -109.5 | 151.6 | 0 | 0 | 0 | 107.8 | |||||
| 440 | P | 39.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | cis | -128.9 | -140.8 | -12.4 | 45.2 | -25.5 | 0 | 0 | 0 | 110.7 | ||||
| 441 | P | 39.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 85% | 0.85 | S | S | * | * | trans | -120 | -173.9 | -136.3 | 25.5 | 2.6 | 0 | 0 | 0 | 115.9 | ||||
| 442 | E | 30.2 | Very low | 35.2 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 86% | 0.856 | S | S | * | * | trans | -43.7 | 145.7 | -172.7 | -55.8 | -179 | 94.1 | 0 | 0 | 118.3 | ||||
| 443 | S | 34 | Very low | 35.6 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 86% | 0.855 | S | S | * | * | trans | -136.1 | 134.7 | 148.8 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 444 | T | 35.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 86% | 0.858 | S | S | * | * | trans | -81.4 | 151.3 | -170.6 | 41 | 0 | 0 | 0 | 0 | 115 | ||||
| 445 | Q | 36.4 | Very low | 35.9 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 86% | 0.863 | S | S | * | * | trans | 64.1 | 135.3 | 151.7 | -68.6 | 176.2 | -6.7 | 0 | 0 | 119.1 | ||||
| 446 | G | 35.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 86% | 0.864 | S | S | * | * | trans | 171.3 | 96.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 447 | V | 40.9 | Very low | 36.1 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 86% | 0.855 | 87% | 0.868 | S | S | * | * | trans | -48.2 | 145 | 171.7 | 176 | 0 | 0 | 0 | 0 | 114 | M449 | V447-M449 HydrophobicContact CG1-SD 4.19Š| ||
| 448 | G | 35 | Very low | 36.2 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 87% | 0.872 | S | S | * | * | trans | -171.5 | 103.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 449 | M | 40.7 | Very low | 36.7 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 81% | 0.813 | 88% | 0.88 | S | S | * | * | trans | -80.3 | 165 | 172.9 | -79.5 | 88.9 | 77.7 | 0 | 0 | 112.7 | V447 | V447-M449 HydrophobicContact CG1-SD 4.19Š| ||
| 450 | N | 38.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 89% | 0.893 | 89% | 0.89 | S | S | * | * | trans | -31.4 | 146 | 170.9 | -54.2 | -44.4 | 0 | 0 | 0 | 116.6 | ||||
| 451 | G | 38.6 | Very low | 36.8 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 100% | 1.598 | 90% | 0.904 | S | S | * | * | trans | -175.4 | 0 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 451 of 451 residues in 115.8 ms
(Link to these results)