| 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 | 44 | Very low | 49.6 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 100% | 1.133 | 82% | 0.822 | S | S | * | * | 0 | 118.2 | 0 | -66.1 | 165.1 | 180 | 0 | 0 | 106.1 | |||||
| 2 | Q | 47.2 | Very low | 49.8 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | 61.9 | 126.8 | 76.5 | -79.8 | -171.3 | -15.6 | 0 | 0 | 111 | |||||
| 3 | I | 49.8 | Very low | 50.1 | Low | 143 Ų | 143 | 148.2 Ų | 148.2 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | cis | -160.2 | 163.4 | 19.6 | -99.1 | 148 | 0 | 0 | 0 | 111.1 | ||||
| 4 | A | 47.5 | Very low | 50.4 | Low | 85 Ų | 85 | 147.3 Ų | 147.3 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | 63.5 | 135 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 5 | R | 50.6 | Low | 50.2 | Low | 236 Ų | 236 | 149.4 Ų | 149.4 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | cis | 63.6 | 107.7 | 15.3 | -73.1 | -172.8 | 174.6 | 162.2 | -0.7 | 117.7 | ||||
| 6 | N | 50.8 | Low | 49.7 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 172.4 | 149 | 136.2 | -84 | -12.5 | 0 | 0 | 0 | 108.8 | ||||
| 7 | G | 43.7 | Very low | 49.4 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | cis | 122.9 | 76.1 | -8.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 8 | T | 52.5 | Low | 49.3 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -166.6 | 120.2 | 165 | 18.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 9 | H | 51.2 | Low | 49.3 | Very low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | 79 | 107.7 | 51.8 | -70.3 | -70.4 | 0 | 0 | 0 | 116.2 | |||||
| 10 | S | 47.5 | Very low | 49.4 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | 61.6 | 122.1 | 135.1 | -174.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 11 | S | 61.1 | Low | 49.3 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | -153.4 | 139 | 129.4 | -83.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 12 | K | 51.6 | Low | 49.2 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -99.6 | 143 | 175.2 | -64.8 | 174.2 | 177.8 | 175.6 | 0 | 109.7 | ||||
| 13 | A | 53.5 | Low | 49.3 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -137.9 | 122 | 149.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 14 | L | 54 | Low | 48.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 81% | 0.807 | S | S | * | * | cis | 77.5 | 107 | 38 | -65.6 | -171.7 | 0 | 0 | 0 | 115.6 | ||||
| 15 | H | 47.4 | Very low | 48.8 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | 77.2 | 144.1 | 152 | -63.8 | 109 | 0 | 0 | 0 | 121.1 | ||||
| 16 | G | 42.9 | Very low | 48.4 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 87.5 | 130.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 17 | G | 44.5 | Very low | 48.1 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 167 | 152.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | D | 48 | Very low | 48 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | 57.1 | 127.7 | 167.5 | -79.4 | -80.5 | 0 | 0 | 0 | 123.6 | ||||
| 19 | K | 48.2 | Very low | 47.4 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -84.4 | 125.3 | 177.4 | -50.2 | 164.9 | -176.7 | 177.1 | 0 | 108.3 | ||||
| 20 | V | 53.1 | Low | 47.1 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -132.2 | 122.9 | 157 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 21 | K | 46.8 | Very low | 47.5 | Very low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -10.8 | 117.1 | 167.9 | -67.8 | 174.6 | 175.3 | 178.5 | 0 | 118.6 | V23 | K21-V23 PolarHBondContact O-N 3.19Š| ||
| 22 | L | 42.4 | Very low | 46.8 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | -17.3 | 117 | 123.3 | -173.4 | 145.7 | 0 | 0 | 0 | 114.3 | |||||
| 23 | V | 48.9 | Very low | 46 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | trans | -137.8 | 105.5 | 150.7 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | K21 | K21-V23 PolarHBondContact O-N 3.19Š| ||
| 24 | D | 37.6 | Very low | 46 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 124.4 | 161.6 | -146 | -56 | 0 | 0 | 0 | 106.4 | ||||
| 25 | A | 49.3 | Very low | 46 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -172.6 | 131.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | D | 41.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -72.7 | 171.8 | 172.6 | -130.8 | -67.8 | 0 | 0 | 0 | 113.5 | ||||
| 27 | S | 43.3 | Very low | 46.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 65.7 | 117.3 | 160.2 | -161.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 28 | C | 41.6 | Very low | 47.2 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | -165.5 | 136.2 | 97.8 | -142.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 29 | A | 41.5 | Very low | 47.6 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -100.4 | 146.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 30 | A | 44.1 | Very low | 47.7 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 177 | 156 | 141.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 31 | K | 56.6 | Low | 47.4 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | 68.1 | 115.2 | 169.1 | -49.8 | 174.3 | -174.9 | 178 | 0 | 114.2 | ||||
| 32 | E | 45.3 | Very low | 47.6 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | cis | -143.5 | 143.2 | 32.4 | -77.1 | 178.3 | 93.2 | 0 | 0 | 112.6 | ||||
| 33 | A | 35.1 | Very low | 48.1 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -136.8 | 106.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 34 | A | 53.9 | Low | 48 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | -146.5 | 120.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 35 | V | 53.3 | Low | 48.6 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | 61 | 105.9 | 144.1 | -171.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 36 | I | 61 | Low | 48.9 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 92% | 0.923 | 81% | 0.805 | S | S | * | * | -134.3 | 117.3 | 117.9 | -77 | 110.9 | 0 | 0 | 0 | 107.4 | |||||
| 37 | D | 46.7 | Very low | 48.9 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | trans | -123.1 | 131 | 172 | 167.8 | 35.2 | 0 | 0 | 0 | 107.4 | ||||
| 38 | R | 52.6 | Low | 49 | Very low | 185 Ų | 185 | 145 Ų | 145 | 70% | 0.698 | 80% | 0.8 | S | S | * | * | 161 | 128.5 | 123.2 | -86 | -172.4 | 174.9 | 176.3 | 0.6 | 116.9 | |||||
| 39 | K | 55.8 | Low | 49.1 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | 58.4 | 115.7 | 133.4 | -62.3 | 179.8 | 178.8 | -174.1 | 0 | 121.1 | ||||
| 40 | L | 50 | Low | 49.1 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | 175.1 | 94.5 | 106.6 | -94.6 | 147.2 | 0 | 0 | 0 | 108 | |||||
| 41 | A | 47.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 151.3 Ų | 151.3 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | 71.6 | 97.5 | 72.7 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 42 | K | 51.8 | Low | 48.4 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | 64.1 | 108.6 | 144.2 | -56.6 | 176.8 | 179.6 | 178.9 | 0 | 119.2 | ||||
| 43 | K | 52.9 | Low | 48.2 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | -165.5 | 127.9 | 113.7 | -106.8 | 167.3 | -176.5 | 179.4 | 0 | 114.3 | |||||
| 44 | K | 46.6 | Very low | 48.6 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 4.6 | 122.7 | 163.8 | -73.7 | -179.6 | 167.7 | -176.1 | 0 | 120.5 | ||||
| 45 | L | 50.5 | Low | 47.9 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -73.4 | 155.1 | 142.7 | -69.6 | 164.2 | 0 | 0 | 0 | 111 | ||||
| 46 | P | 54.9 | Low | 47.2 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -113.3 | 153.4 | 147.6 | 33.5 | -24 | 0 | 0 | 0 | 112.9 | ||||
| 47 | S | 40.9 | Very low | 46.2 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 152.8 | -168.5 | 173.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 48 | V | 46 | Very low | 46.1 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -27.7 | 155.7 | 150.5 | -129.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 49 | P | 43.9 | Very low | 45.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -142.1 | 158 | 87.1 | 39.1 | -24.6 | 0 | 0 | 0 | 117.1 | |||||
| 50 | S | 41.1 | Very low | 45.5 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -71.5 | 149.2 | 177.7 | -32.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 51 | K | 47.9 | Very low | 45.4 | Very low | 214 Ų | 214 | 143.7 Ų | 143.7 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -166.8 | 169.8 | 135.6 | -107.6 | 160.5 | -171.2 | -178.9 | 0 | 113.3 | ||||
| 52 | S | 37.6 | Very low | 45.6 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -94.5 | -169.4 | -157 | 54.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 53 | C | 42.8 | Very low | 45.2 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | 91.1 | 108.1 | 170.3 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 54 | Q | 42 | Very low | 45.3 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | 91 | 111.6 | 56.4 | -176.1 | -177.8 | 23.8 | 0 | 0 | 112 | |||||
| 55 | N | 38.9 | Very low | 45.3 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 54.8 | 145.5 | 159.9 | -61.1 | 11.8 | 0 | 0 | 0 | 119.5 | ||||
| 56 | G | 39.7 | Very low | 45.1 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 151.3 | 65.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V58 | G56-V58 PolarHBondContact O-N 3.1Š| ||
| 57 | F | 39.5 | Very low | 44.9 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 99 | 170.6 | -148.4 | -83.6 | 0 | 0 | 0 | 109.7 | ||||
| 58 | V | 45.4 | Very low | 45.1 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -143.9 | 115.7 | 161.7 | -178 | 0 | 0 | 0 | 0 | 109.9 | G56 | G56-V58 PolarHBondContact O-N 3.1Š| ||
| 59 | A | 41.8 | Very low | 45.3 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -88.1 | 141.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 60 | K | 54.6 | Low | 46 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -141.6 | 120.1 | 159.5 | -99 | -173.2 | 175.5 | -179.8 | 0 | 109 | ||||
| 61 | P | 46.3 | Very low | 46.4 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | trans | -88.5 | 136.6 | 170.8 | 33.8 | -30.1 | 0 | 0 | 0 | 110.2 | ||||
| 62 | T | 53.3 | Low | 46.4 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 128.2 | 169.9 | -45.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 63 | K | 41.7 | Very low | 47 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -71.6 | 144.8 | 178.5 | -58.1 | 174.3 | 177.9 | -179.2 | 0 | 110.8 | ||||
| 64 | V | 55.5 | Low | 46.7 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 145.9 | 152.7 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 65 | D | 46.4 | Very low | 46.5 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -71.7 | 168 | -165.4 | -74.6 | -95.3 | 0 | 0 | 0 | 117.3 | ||||
| 66 | A | 47.6 | Very low | 46.5 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 143 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 67 | N | 49.1 | Very low | 46.6 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | 160.1 | 98.4 | 139.4 | -83.1 | -35.9 | 0 | 0 | 0 | 108.7 | ||||
| 68 | G | 45.3 | Very low | 46.4 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -170.7 | 100.6 | 178 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 69 | A | 50.4 | Low | 45.8 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -78.1 | 126.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | D | 58.6 | Low | 45.4 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 111.1 | 169.3 | -169.2 | -115.6 | 0 | 0 | 0 | 108.5 | G72 | D70-G72 PolarHBondContact O-N 2.6Š| ||
| 71 | D | 50.9 | Low | 44.3 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 96% | 0.957 | 78% | 0.783 | S | S | * | * | trans | -74.1 | 75.8 | 173.6 | -95.6 | -78.8 | 0 | 0 | 0 | 109.1 | ||||
| 72 | G | 48.1 | Very low | 43.8 | Very low | 52 Ų | 52 | 121.4 Ų | 121.4 | 54% | 0.536 | 77% | 0.773 | S | S | . | * | trans | -114.8 | 73.3 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116 | D70 | D70-G72 PolarHBondContact O-N 2.6Š| ||
| 73 | S | 49.9 | Very low | 42.9 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 52.1 | 99.6 | 147.3 | -178.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 74 | G | 36.7 | Very low | 42.7 | Very low | 74 Ų | 74 | 115.7 Ų | 115.7 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | 66.7 | 56.7 | 117.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | S76 | G74-S76 VanDerWaalsContact C-N 3.29Å; G74-S76 PolarHBondContact O-N 2.97Å | |||
| 75 | C | 36.2 | Very low | 42 | Very low | 131 Ų | 131 | 118 Ų | 118 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | trans | -75 | 83.5 | 158.7 | -72.1 | 0 | 0 | 0 | 0 | 110.2 | S77 | C75-S77 PolarHBondContact O-N 2.92Š| ||
| 76 | S | 39.2 | Very low | 41.8 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -59.3 | 119.5 | 167.4 | -174.6 | 0 | 0 | 0 | 0 | 109 | G74 S78 | G74-S76 VanDerWaalsContact C-N 3.29Å; G74-S76 PolarHBondContact O-N 2.97Å; S76-S78 PolarHBondContact O-N 3.45Å | ||
| 77 | S | 41.7 | Very low | 42.1 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -48.7 | 116.4 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | C75 D79 | C75-S77 PolarHBondContact O-N 2.92Å; S77-D79 VanDerWaalsContact C-N 3.3Å; S77-D79 PolarHBondContact O-N 3.38Å | ||
| 78 | S | 34.9 | Very low | 42.7 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | -76.9 | 84.7 | -175.3 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | S76 T80 | S76-S78 PolarHBondContact O-N 3.45Å; S78-T80 PolarHBondContact O-N 3.4Å | ||
| 79 | D | 33.7 | Very low | 43.9 | Very low | 143 Ų | 143 | 111 Ų | 111 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | trans | -57.7 | 124.1 | 163.7 | -132.5 | -54.3 | 0 | 0 | 0 | 108.3 | S77 V81 | S77-D79 VanDerWaalsContact C-N 3.3Å; S77-D79 PolarHBondContact O-N 3.38Å; D79-V81 PolarHBondContact O-N 3.43Å | ||
| 80 | T | 33.6 | Very low | 45.3 | Very low | 80 Ų | 80 | 106.6 Ų | 106.6 | 49% | 0.491 | 66% | 0.66 | S | S | . | * | trans | -80.7 | 82.1 | -150.5 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | S78 L82 H216 | S78-T80 PolarHBondContact O-N 3.4Å; T80-L82 PolarHBondContact O-N 3.41Å; T80-H216 PolarHBondContact OG1-CE1 3.43Å | ||
| 81 | V | 32 | Very low | 46.4 | Very low | 115 Ų | 115 | 105.2 Ų | 105.2 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | trans | -73.4 | 60.9 | 164.7 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | D79 C83 | D79-V81 PolarHBondContact O-N 3.43Å; V81-C83 HydrophobicContact CG1-CB 4.13Å; V81-C83 PolarHBondContact O-N 3.3Å | ||
| 82 | L | 34.4 | Very low | 47.9 | Very low | 121 Ų | 121 | 96.8 Ų | 96.8 | 63% | 0.634 | 60% | 0.602 | S | S | * | * | trans | -77.1 | 48.8 | 168.1 | -97.1 | 168.2 | 0 | 0 | 0 | 110.9 | T80 V84 A219 | T80-L82 PolarHBondContact O-N 3.41Å; L82-V84 HydrophobicContact CD2-CB 4.29Å; L82-V84 PolarHBondContact O-N 2.77Å; L82-A219 HydrophobicContact CD1-CB 4.24Å | ||
| 83 | C | 35.8 | Very low | 49.6 | Very low | 117 Ų | 117 | 101.7 Ų | 101.7 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -76 | 33.7 | 162.4 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | V81 | V81-C83 HydrophobicContact CG1-CB 4.13Å; V81-C83 PolarHBondContact O-N 3.3Å | ||
| 84 | V | 36.9 | Very low | 51.2 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | trans | -107.3 | 89.9 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L82 T86 | L82-V84 HydrophobicContact CD2-CB 4.29Å; L82-V84 PolarHBondContact O-N 2.77Å; V84-T86 PolarHBondContact O-N 2.95Å; V84-T86 VanDerWaalsContact O-N 3.1Å | ||
| 85 | E | 40.5 | Very low | 53.1 | Low | 191 Ų | 191 | 94.7 Ų | 94.7 | 89% | 0.893 | 54% | 0.543 | S | S | * | . | trans | 56.1 | 44 | 132.2 | -147.4 | 172.5 | -179.8 | 0 | 0 | 117.5 | ||||
| 86 | T | 42.6 | Very low | 54.9 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -104.2 | 149.9 | 154 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | V84 T88 | V84-T86 PolarHBondContact O-N 2.95Å; V84-T86 VanDerWaalsContact O-N 3.1Å; T86-T88 VanDerWaalsContact C-N 3.29Å; T86-T88 WeakPolarHBondContact O-CG2 3.38Å; T86-T88 PolarHBondContact O-N 3.35Å | ||
| 87 | P | 53.1 | Low | 56.7 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | trans | -67.8 | 92.9 | 173.4 | 27.9 | -33.7 | 0 | 0 | 0 | 108.7 | K89 | P87-K89 PolarHBondContact O-N 2.83Š| ||
| 88 | T | 61.8 | Low | 58.3 | Low | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | trans | -60.1 | -29 | -173.9 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | T86 L90 D262 | T86-T88 VanDerWaalsContact C-N 3.29Å; T86-T88 WeakPolarHBondContact O-CG2 3.38Å; T86-T88 PolarHBondContact O-N 3.35Å; T88-L90 PolarHBondContact O-N 2.65Å; T88-L90 VanDerWaalsContact O-N 3.15Å; T88-D262 VanDerWaalsContact CB-CG 3.45Å; T88-D262 VanDerWaalsContact CB-OD1 3.3Å; T88-D262 WeakPolarHBondContact CB-OD1 3.06Å; T88-D262 WeakPolarHBondContact CB-OD2 3.45Å; T88-D262 PolarHBondContact OG1-OD2 3.08Å | ||
| 89 | K | 70.3 | Confident | 60.1 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 46% | 0.457 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 100.4 | 173.7 | -64.3 | -155.3 | 172.3 | -163.8 | 0 | 112.6 | P87 D252 Q260 F261 | P87-K89 PolarHBondContact O-N 2.83Å; K89-D252 IonicContact NZ-OD2 2.74Å; K89-D252 PolarHBondContact NZ-OD2 3.26Å; K89-Q260 HydrophobicContact CB-CG 3.93Å; K89-Q260 HydrophobicContact CD-CG 4.19Å; K89-F261 CarbonylContact C-O 3.55Å; K89-F261 VanDerWaalsContact CA-O 3.31Å; K89-F261 WeakPolarHBondContact CA-O 3.26Å |
| 90 | L | 79.5 | Confident | 61.9 | Low | 14 Ų | 14 | 85.9 Ų | 85.9 | 7% | 0.073 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 159.6 | 168.2 | -57.1 | -164.2 | 0 | 0 | 0 | 111.6 | T88 R226 I229 Q260 F261 L263 | T88-L90 PolarHBondContact O-N 2.65Å; T88-L90 VanDerWaalsContact O-N 3.15Å; L90-R226 HydrophobicContact CD1-CB 3.95Å; L90-R226 HydrophobicContact CD1-CG 4.12Å; L90-R226 HydrophobicContact CD2-CB 4.18Å; L90-R226 HydrophobicContact CD2-CG 3.56Å; L90-I229 HydrophobicContact CD1-CD1 4.23Å; L90-I229 HydrophobicContact CD1-CG2 4.45Å; L90-Q260 WeakPolarHBondContact O-CA 3.42Å; L90-Q260 WeakPolarHBondContact O-CG 3.48Å; L90-F261 HydrophobicContact CB-CD2 4.4Å; L90-F261 HydrophobicContact CB-CE1 4.49Å; L90-F261 HydrophobicContact CB-CE2 4Å; L90-F261 HydrophobicContact CB-CZ 4.07Å; L90-F261 HydrophobicContact CD1-CE2 4.1Å; L90-F261 HydrophobicContact CD1-CZ 4.45Å; L90-F261 HydrophobicContact CG-CE2 4.42Å; L90-F261 PolarHBondContact N-O 2.82Å; L90-F261 PolarHBondContact O-N 3.22Å; L90-F261 VanDerWaalsContact O-N 3.12Å; L90-L263 HydrophobicContact CD1-CD1 3.61Å; L90-L263 HydrophobicContact CD1-CD2 4.39Å; L90-L263 HydrophobicContact CD1-CG 3.7Å; L90-L263 HydrophobicContact CG-CG 4.34Å |
| 91 | K | 81.9 | Confident | 63.9 | Low | 115 Ų | 115 | 86.9 Ų | 86.9 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 112.2 | 173.4 | -68.9 | 178 | -178.8 | 173.3 | 0 | 109.9 | F258 L259 Q260 | K91-F258 HydrophobicContact CB-CB 4.45Å; K91-F258 HydrophobicContact CB-CD1 4.3Å; K91-L259 WeakPolarHBondContact CA-O 3.32Å; K91-Q260 HydrophobicContact CG-CB 4.22Å; K91-Q260 HydrophobicContact CG-CG 4.08Å |
| 92 | L | 84.1 | Confident | 65.7 | Low | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.016 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.4 | 167.9 | 174.1 | 69.7 | 0 | 0 | 0 | 109.1 | I94 I229 V232 A238 I241 A242 F258 L259 F261 | L92-I94 HydrophobicContact CD2-CG2 4.1Å; L92-I94 HydrophobicContact CG-CG2 4.1Å; L92-I94 PolarHBondContact O-N 2.96Å; L92-I229 HydrophobicContact CD1-CG2 4.48Å; L92-V232 HydrophobicContact CD1-CB 4.16Å; L92-V232 HydrophobicContact CD1-CG1 4.37Å; L92-A238 HydrophobicContact CD1-CB 4.38Å; L92-I241 HydrophobicContact CD2-CB 4.17Å; L92-I241 HydrophobicContact CD2-CG2 3.78Å; L92-A242 HydrophobicContact CD2-CB 4.43Å; L92-F258 CarbonylContact O-C 3.47Å; L92-F258 VanDerWaalsContact O-CA 3.26Å; L92-F258 WeakPolarHBondContact O-CA 3.42Å; L92-L259 HydrophobicContact CB-CB 4.33Å; L92-L259 HydrophobicContact CD2-CD2 4.49Å; L92-L259 PolarHBondContact N-O 2.83Å; L92-L259 PolarHBondContact O-N 3.06Å; L92-F261 HydrophobicContact CB-CE1 3.82Å |
| 93 | R | 83.5 | Confident | 67.4 | Low | 155 Ų | 155 | 79.5 Ų | 79.5 | 59% | 0.585 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.5 | 174.3 | -177.1 | 177.4 | 175.2 | 169.9 | -0.9 | 109.7 | S95 F258 | R93-S95 PolarHBondContact NE-OG 3.26Å; R93-F258 HydrophobicContact CB-CD1 4.28Å; R93-F258 HydrophobicContact CB-CE1 4.12Å; R93-F258 HydrophobicContact CG-CE1 4.28Å |
| 94 | I | 82.1 | Confident | 69.2 | Low | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | trans | -116 | 18 | -178.7 | 63.6 | 168 | 0 | 0 | 0 | 112.7 | L92 H96 L97 V99 I102 H257 L259 | L92-I94 HydrophobicContact CD2-CG2 4.1Å; L92-I94 HydrophobicContact CG-CG2 4.1Å; L92-I94 PolarHBondContact O-N 2.96Å; I94-H96 PolarHBondContact O-N 3.16Å; I94-L97 HydrophobicContact CB-CB 4.33Å; I94-L97 HydrophobicContact CB-CD1 3.96Å; I94-L97 HydrophobicContact CB-CG 4.25Å; I94-L97 HydrophobicContact CG2-CD1 3.85Å; I94-L97 PolarHBondContact O-N 3.33Å; I94-V99 HydrophobicContact CD1-CG2 4.06Å; I94-I102 HydrophobicContact CD1-CD1 4.38Å; I94-H257 WeakPolarHBondContact CG1-O 3.45Å; I94-H257 PolarHBondContact N-O 3.34Å; I94-L259 HydrophobicContact CD1-CB 4.19Å; I94-L259 HydrophobicContact CD1-CD1 4.5Å; I94-L259 HydrophobicContact CG2-CB 3.82Å | ||
| 95 | S | 77.6 | Confident | 70.4 | Confident | 40 Ų | 40 | 81 Ų | 81 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -6.8 | -176.1 | 58 | 0 | 0 | 0 | 0 | 115.9 | R93 | R93-S95 PolarHBondContact NE-OG 3.26Š|
| 96 | H | 74.6 | Confident | 71.5 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 64% | 0.644 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 3.9 | 179.2 | -54.1 | -72.7 | 0 | 0 | 0 | 112.6 | I94 P235 | I94-H96 PolarHBondContact O-N 3.16Å; H96-P235 HydrophobicContact CB-CB 4.46Å |
| 97 | L | 77.1 | Confident | 72.2 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -110.5 | 153.6 | -174.8 | -51.6 | -174.5 | 0 | 0 | 0 | 110.8 | I94 V99 I102 P235 A238 Q239 A242 | I94-L97 HydrophobicContact CB-CB 4.33Å; I94-L97 HydrophobicContact CB-CD1 3.96Å; I94-L97 HydrophobicContact CB-CG 4.25Å; I94-L97 HydrophobicContact CG2-CD1 3.85Å; I94-L97 PolarHBondContact O-N 3.33Å; L97-V99 PolarHBondContact O-N 3.13Å; L97-V99 VanDerWaalsContact O-N 3.09Å; L97-I102 HydrophobicContact CB-CD1 3.98Å; L97-I102 HydrophobicContact CD1-CD1 4.08Å; L97-P235 HydrophobicContact CD2-CB 4.3Å; L97-A238 HydrophobicContact CD1-CB 4.14Å; L97-Q239 HydrophobicContact CD1-CB 4.27Å; L97-Q239 HydrophobicContact CD2-CB 4.04Å; L97-A242 HydrophobicContact CD1-CB 4.36Å |
| 98 | N | 75.1 | Confident | 72.4 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | trans | -77.9 | 95.9 | 176.7 | -169.3 | -0.3 | 0 | 0 | 0 | 110.6 | D100 E101 I102 | N98-D100 PolarHBondContact O-N 3.14Å; N98-D100 PolarHBondContact OD1-N 3.38Å; N98-E101 HydrophobicContact CB-CB 4.18Å; N98-E101 WeakPolarHBondContact O-CB 3.49Å; N98-E101 PolarHBondContact O-N 2.93Å; N98-I102 PolarHBondContact O-N 3.42Å | ||
| 99 | V | 71.8 | Confident | 71.9 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.5 | -35.4 | -176.8 | -176 | 0 | 0 | 0 | 0 | 112.1 | I94 L97 E101 I102 N103 V253 | I94-V99 HydrophobicContact CD1-CG2 4.06Å; L97-V99 PolarHBondContact O-N 3.13Å; L97-V99 VanDerWaalsContact O-N 3.09Å; V99-E101 PolarHBondContact O-N 3.35Å; V99-I102 PolarHBondContact O-N 2.87Å; V99-N103 WeakPolarHBondContact O-CB 3.37Å; V99-N103 PolarHBondContact O-N 3.2Å; V99-V253 HydrophobicContact CG1-CG1 4.02Å; V99-V253 HydrophobicContact CG1-CG2 4.4Å |
| 100 | D | 72.6 | Confident | 71.3 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 68% | 0.679 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65 | -25.9 | 178.2 | -71.1 | -42.5 | 0 | 0 | 0 | 112.7 | N98 K104 | N98-D100 PolarHBondContact O-N 3.14Å; N98-D100 PolarHBondContact OD1-N 3.38Å; D100-K104 WeakPolarHBondContact O-CG 3.34Å |
| 101 | E | 74.4 | Confident | 70.2 | Confident | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -79.1 | -45.5 | 176.9 | -171.7 | 155 | -156.4 | 0 | 0 | 111.9 | N98 V99 N103 K104 | N98-E101 HydrophobicContact CB-CB 4.18Å; N98-E101 WeakPolarHBondContact O-CB 3.49Å; N98-E101 PolarHBondContact O-N 2.93Å; V99-E101 PolarHBondContact O-N 3.35Å; E101-N103 PolarHBondContact O-N 2.94Å; E101-K104 HydrophobicContact CG-CD 4.49Å; E101-K104 WeakPolarHBondContact O-CB 3.37Å; E101-K104 PolarHBondContact O-N 3.19Å |
| 102 | I | 70.9 | Confident | 68.9 | Low | 3 Ų | 3 | 103.4 Ų | 103.4 | 2% | 0.015 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 175.3 | -59.2 | 167.7 | 0 | 0 | 0 | 110.4 | I94 L97 N98 V99 K104 A242 A246 F251 L259 | I94-I102 HydrophobicContact CD1-CD1 4.38Å; L97-I102 HydrophobicContact CB-CD1 3.98Å; L97-I102 HydrophobicContact CD1-CD1 4.08Å; N98-I102 PolarHBondContact O-N 3.42Å; V99-I102 PolarHBondContact O-N 2.87Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.43Å; I102-A242 HydrophobicContact CD1-CB 4.03Å; I102-A242 HydrophobicContact CG1-CB 4.46Å; I102-A246 HydrophobicContact CG2-CB 4.26Å; I102-F251 HydrophobicContact CG2-CE2 4.36Å; I102-F251 HydrophobicContact CG2-CZ 4.1Å; I102-L259 HydrophobicContact CG2-CD1 4.26Å |
| 103 | N | 70.1 | Confident | 67.6 | Low | 78 Ų | 78 | 111.1 Ų | 111.1 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.3 | -175.5 | -155.9 | 37.1 | 0 | 0 | 0 | 114.2 | V99 E101 H105 N106 | V99-N103 WeakPolarHBondContact O-CB 3.37Å; V99-N103 PolarHBondContact O-N 3.2Å; E101-N103 PolarHBondContact O-N 2.94Å; N103-H105 PolarHBondContact O-N 3.07Å; N103-N106 PolarHBondContact O-N 2.97Å; N103-N106 VanDerWaalsContact O-N 3.12Å |
| 104 | K | 71.8 | Confident | 66.1 | Low | 129 Ų | 129 | 114.1 Ų | 114.1 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.5 | 176.9 | -72.1 | 166 | -170.2 | 167.7 | 0 | 113.1 | D100 E101 I102 | D100-K104 WeakPolarHBondContact O-CG 3.34Å; E101-K104 HydrophobicContact CG-CD 4.49Å; E101-K104 WeakPolarHBondContact O-CB 3.37Å; E101-K104 PolarHBondContact O-N 3.19Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.43Å |
| 105 | H | 63.8 | Low | 64.7 | Low | 113 Ų | 113 | 121 Ų | 121 | 52% | 0.523 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -83 | -25.7 | 179.4 | -68.2 | -77.3 | 0 | 0 | 0 | 112.9 | N103 K107 A246 | N103-H105 PolarHBondContact O-N 3.07Å; H105-K107 PolarHBondContact O-N 3.33Å; H105-A246 HydrophobicContact CB-CB 4.31Å; H105-A246 WeakPolarHBondContact CB-O 3.31Å |
| 106 | N | 62.5 | Low | 63.3 | Low | 35 Ų | 35 | 128.9 Ų | 128.9 | 19% | 0.187 | 59% | 0.587 | C | S | . | * | trans | -87.9 | 72.6 | -177.6 | -166.6 | -20.4 | 0 | 0 | 0 | 112.1 | N103 K108 F251 | N103-N106 PolarHBondContact O-N 2.97Å; N103-N106 VanDerWaalsContact O-N 3.12Å; N106-K108 PolarHBondContact O-N 2.67Å; N106-F251 HydrophobicContact CB-CE1 3.68Å; N106-F251 HydrophobicContact CB-CE2 4.18Å; N106-F251 HydrophobicContact CB-CZ 3.44Å; N106-F251 VanDerWaalsContact CB-CZ 3.44Å; N106-F251 WeakPolarHBondContact ND2-CZ 3.3Å; N106-F251 PolarHBondContact ND2-O 3.21Å | ||
| 107 | K | 58.6 | Low | 62.3 | Low | 195 Ų | 195 | 127.4 Ų | 127.4 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 14.5 | -179.1 | -68.7 | -172.7 | 175.6 | -179.6 | 0 | 115 | H105 | H105-K107 PolarHBondContact O-N 3.33Š|
| 108 | K | 56 | Low | 61.3 | Low | 194 Ų | 194 | 133.2 Ų | 133.2 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 35.2 | -174.9 | -73.1 | -171.9 | 177.4 | 176.9 | 0 | 115.8 | N106 K110 | N106-K108 PolarHBondContact O-N 2.67Å; K108-K110 PolarHBondContact O-N 3.28Å |
| 109 | G | 52 | Low | 59.9 | Low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | trans | -87.5 | 94.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K111 | G109-K111 PolarHBondContact O-N 2.93Š| ||
| 110 | K | 57.5 | Low | 58.9 | Low | 204 Ų | 204 | 136.3 Ų | 136.3 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | trans | -62.6 | 106.9 | 168.6 | -90.6 | -175.4 | 175.7 | 177.8 | 0 | 110.4 | K108 R112 | K108-K110 PolarHBondContact O-N 3.28Å; K110-R112 PolarHBondContact O-N 2.95Å | ||
| 111 | K | 56.1 | Low | 57.9 | Low | 210 Ų | 210 | 138.5 Ų | 138.5 | 91% | 0.913 | 68% | 0.677 | S | S | * | * | trans | -62.6 | 88.5 | 173.7 | -74.3 | -176 | 176.7 | 178.2 | 0 | 111.9 | G109 K113 | G109-K111 PolarHBondContact O-N 2.93Å; K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.35Å | ||
| 112 | R | 54 | Low | 57 | Low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -73.7 | 86.9 | 165.6 | -77.5 | -175.6 | 72.3 | 176.9 | 3.6 | 110.1 | K110 R114 | K110-R112 PolarHBondContact O-N 2.95Å; R112-R114 PolarHBondContact O-N 3.17Å | ||
| 113 | K | 58 | Low | 55.7 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -60.1 | 105 | 169.5 | -170.2 | -170.7 | -173.6 | -163.1 | 0 | 109.2 | K111 Q115 | K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.35Å; K113-Q115 VanDerWaalsContact CE-OE1 3.26Å; K113-Q115 PolarHBondContact O-N 3.25Å | ||
| 114 | R | 51.4 | Low | 54.7 | Low | 218 Ų | 218 | 151.7 Ų | 151.7 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -78.5 | 92.2 | 167.3 | -70.9 | -179.4 | 105.7 | -174.5 | 8.2 | 108.2 | R112 | R112-R114 PolarHBondContact O-N 3.17Š| ||
| 115 | Q | 53.8 | Low | 53.6 | Low | 146 Ų | 146 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -85.9 | 122.9 | 167.2 | -154.1 | 159.5 | -22.1 | 0 | 0 | 107.5 | K113 | K113-Q115 VanDerWaalsContact CE-OE1 3.26Å; K113-Q115 PolarHBondContact O-N 3.25Å | ||
| 116 | R | 48.1 | Very low | 52.9 | Low | 206 Ų | 206 | 149.7 Ų | 149.7 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -111.3 | 146.8 | 173 | -88.6 | 179.4 | 161.2 | 168.6 | -9.2 | 107.7 | ||||
| 117 | S | 51.7 | Low | 52 | Low | 108 Ų | 108 | 153.9 Ų | 153.9 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 69.2 | 147 | 177.2 | -43.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 118 | D | 56.3 | Low | 51.3 | Low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | cis | -147.8 | 175.6 | -3.2 | -144.7 | -44.4 | 0 | 0 | 0 | 110.5 | ||||
| 119 | S | 46.9 | Very low | 50.6 | Low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -52.4 | 158.1 | 177.5 | 50.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 120 | G | 49.8 | Very low | 50.3 | Low | 80 Ų | 80 | 153.2 Ų | 153.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 169.7 | 79.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 121 | L | 52.9 | Low | 50.3 | Low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -85.2 | 130.3 | 168.7 | -66 | 165.6 | 0 | 0 | 0 | 108.9 | ||||
| 122 | D | 53.8 | Low | 50.3 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -166.5 | 170.1 | 130.2 | -130.1 | -57.6 | 0 | 0 | 0 | 112.1 | ||||
| 123 | S | 43.8 | Very low | 50 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -128.6 | 173.8 | -152.6 | -52.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 124 | E | 50.9 | Low | 49.7 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | 80.3 | 140.5 | 156.7 | -45 | -142.9 | 94.6 | 0 | 0 | 119.6 | ||||
| 125 | G | 48.5 | Very low | 49.6 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 158.4 | 60.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 126 | S | 49 | Very low | 49.4 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 39.7 | 104.9 | 152.5 | -66.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 127 | S | 43.3 | Very low | 49.5 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | 0.9 | 142.4 | 125.3 | -166.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 128 | A | 43.2 | Very low | 49 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -164.7 | 133 | 143 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 129 | Q | 41.5 | Very low | 48.4 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | 166.8 | 122.4 | 118.8 | -91.4 | -167.8 | 12.3 | 0 | 0 | 113.5 | |||||
| 130 | L | 44.9 | Very low | 48.2 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -137.8 | 149.3 | 148.7 | -80 | 176.7 | 0 | 0 | 0 | 108.2 | ||||
| 131 | M | 58.9 | Low | 48.4 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -93.6 | -170.4 | -168.1 | -62.8 | -98.2 | 92.8 | 0 | 0 | 112.1 | ||||
| 132 | P | 55.4 | Low | 48.5 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -131.8 | 177.6 | -70 | 40.2 | -25.4 | 0 | 0 | 0 | 112.4 | |||||
| 133 | T | 47.9 | Very low | 47.8 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -167.7 | 144.9 | 144.7 | -71.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 134 | E | 52.4 | Low | 48 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -80.8 | -172.9 | -177.6 | -117.2 | -153.2 | 92.3 | 0 | 0 | 113.5 | S136 | E134-S136 PolarHBondContact OE1-N 3.31Š| ||
| 135 | P | 49.3 | Very low | 47.7 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -139.7 | 161 | 15.3 | 40.4 | -20.3 | 0 | 0 | 0 | 120.6 | ||||
| 136 | S | 47.9 | Very low | 47.4 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 71.3 | 157.1 | 140.1 | -77.6 | 0 | 0 | 0 | 0 | 124.3 | E134 | E134-S136 PolarHBondContact OE1-N 3.31Š| ||
| 137 | P | 51.2 | Low | 47.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 166.5 | -146.1 | 42.5 | -26.4 | 0 | 0 | 0 | 117.9 | ||||
| 138 | S | 42.2 | Very low | 47.6 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -164.7 | 122.4 | 145.2 | -120.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 139 | S | 43.2 | Very low | 47.8 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 70.4 | 137.6 | 122.2 | -54.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 140 | Q | 43 | Very low | 48 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 87.5 | 109.6 | 156 | -68.5 | 177.4 | 3.8 | 0 | 0 | 121 | ||||
| 141 | L | 53.3 | Low | 47.9 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -93.2 | 163.2 | 151.6 | -66.7 | 170 | 0 | 0 | 0 | 109.7 | ||||
| 142 | P | 55.6 | Low | 47 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | -137.2 | 160 | 125.5 | 36.7 | -25.8 | 0 | 0 | 0 | 114.7 | |||||
| 143 | S | 37.7 | Very low | 46.6 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -94.2 | 165.3 | -172.8 | -58.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 144 | S | 48 | Very low | 46.3 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 72.4 | 129.2 | 149.7 | 70.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 145 | N | 45.2 | Very low | 45.9 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | -167.6 | 156.5 | 100.5 | -157.8 | -3.8 | 0 | 0 | 0 | 112.6 | |||||
| 146 | S | 42.3 | Very low | 45.7 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -79.3 | 160.3 | -176.9 | 64.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 147 | R | 47.4 | Very low | 45.7 | Very low | 238 Ų | 238 | 137.6 Ų | 137.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -155.6 | 124.1 | 144.4 | -66.4 | -161.4 | -179.5 | -177.2 | 1.4 | 113.3 | ||||
| 148 | K | 49.3 | Very low | 45.5 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | 41.4 | 151.6 | 132.6 | -66.1 | -168.7 | 173.4 | -174.1 | 0 | 120.8 | ||||
| 149 | V | 48.1 | Very low | 45.4 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | -169.3 | 130.6 | 1.3 | 121.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 150 | T | 44.3 | Very low | 45.9 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | 60 | 132.5 | 89.7 | -36.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 151 | Q | 44.3 | Very low | 46.1 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | cis | -136.2 | -112.5 | 28 | -153.4 | 176.2 | 111.4 | 0 | 0 | 116.4 | ||||
| 152 | A | 39.8 | Very low | 45.5 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -165.6 | 179.5 | -156.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 153 | V | 47 | Very low | 45.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -167.7 | 146.3 | 143 | 137.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 154 | T | 40.4 | Very low | 45.5 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -129.4 | 142.8 | -176.4 | -24.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | G | 44.4 | Very low | 46 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -170.7 | 107 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 156 | Q | 46.2 | Very low | 46.3 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 77.4 | 135.4 | 75.5 | -80.1 | -151.3 | 21.3 | 0 | 0 | 115.1 | |||||
| 157 | L | 46 | Very low | 46.6 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | 95.9 | 121 | 147.9 | -78.3 | 159.5 | 0 | 0 | 0 | 121.7 | ||||
| 158 | M | 48.2 | Very low | 47.1 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 95.6 | 132.2 | 146.2 | -41.1 | -135.5 | 80.5 | 0 | 0 | 120 | ||||
| 159 | S | 38.8 | Very low | 46.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -121.9 | 156.6 | 170.9 | -41.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 160 | P | 54.2 | Low | 47.1 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -128.5 | 138.7 | 138 | 34.3 | -23.9 | 0 | 0 | 0 | 109.7 | ||||
| 161 | V | 46.9 | Very low | 47.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | cis | 73.5 | 117.2 | 43.1 | 96.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 162 | S | 42.3 | Very low | 47.8 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 64.5 | 142 | 170.4 | -58.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 163 | S | 49.8 | Very low | 48.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | -155.2 | 157.6 | 42 | -55.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 164 | N | 43.4 | Very low | 48.3 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -121.6 | 133.1 | 173.1 | -167.5 | 39.6 | 0 | 0 | 0 | 109.2 | ||||
| 165 | P | 57.1 | Low | 49 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -128.5 | 109.6 | 155.1 | 28.1 | -10.9 | 0 | 0 | 0 | 110.2 | ||||
| 166 | S | 51 | Low | 49.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 79.1 | 113.9 | 87.8 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 167 | H | 50.2 | Low | 49.1 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -14.6 | 137.2 | 162.1 | -61.8 | -101.2 | 0 | 0 | 0 | 118.1 | ||||
| 168 | R | 56.4 | Low | 49.2 | Very low | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -121.3 | 111.6 | 135.5 | -97 | -154.1 | 171.7 | -140.2 | 0.5 | 110.8 | ||||
| 169 | D | 45.6 | Very low | 49 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 146.9 | 155.5 | -161.3 | -41.7 | 0 | 0 | 0 | 108.5 | S171 | D169-S171 PolarHBondContact OD1-N 3.37Å; D169-S171 VanDerWaalsContact OD1-N 3.1Å; D169-S171 PolarHBondContact OD1-OG 3.22Å | ||
| 170 | S | 51.7 | Low | 49.3 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -160 | 65.2 | 168.3 | -73.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 171 | S | 47.8 | Very low | 48.8 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | trans | -65 | 171.4 | 152.7 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | D169 | D169-S171 PolarHBondContact OD1-N 3.37Å; D169-S171 VanDerWaalsContact OD1-N 3.1Å; D169-S171 PolarHBondContact OD1-OG 3.22Å | ||
| 172 | H | 57 | Low | 48.7 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 94.9 | 136.9 | -168.1 | -48.8 | -32 | 0 | 0 | 0 | 113.9 | ||||
| 173 | K | 51.9 | Low | 48.6 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | cis | -154.4 | 147.9 | -5.7 | -126.7 | -174.4 | -178.2 | -172 | 0 | 109.2 | ||||
| 174 | A | 45.7 | Very low | 48.3 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -87.3 | 137.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 175 | S | 54.8 | Low | 48.2 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -158.9 | 105.7 | 159.4 | -72.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 176 | S | 48.3 | Very low | 47.1 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 74.9 | 101.1 | 73.6 | -62.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 177 | S | 43 | Very low | 46.8 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | 50.6 | 117.5 | 137.4 | -49.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 178 | S | 49 | Very low | 46.5 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | -156.7 | 119.6 | 124.5 | 63.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 179 | S | 44.4 | Very low | 45.8 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -68.7 | 130.6 | 164.1 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 180 | G | 44.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -130.7 | 85.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 181 | Q | 43.3 | Very low | 45.5 | Very low | 204 Ų | 204 | 126.8 Ų | 126.8 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | -82.8 | 121.7 | 160 | -75.5 | 178.7 | -36.4 | 0 | 0 | 108.5 | ||||
| 182 | C | 45.2 | Very low | 45.4 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -149.7 | 114.1 | 159.1 | 56.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 183 | S | 41.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -65.5 | 152.1 | 170.9 | -43.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 184 | S | 43.5 | Very low | 44.1 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -176.6 | 137.5 | 144.4 | -85.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 185 | G | 40.7 | Very low | 44.1 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 57.7 | 116.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 186 | G | 33.9 | Very low | 43.4 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | cis | 95.1 | 88.6 | 26.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 187 | S | 44.5 | Very low | 43 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -150.5 | 140.6 | 158.4 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 188 | T | 43.5 | Very low | 43 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | trans | -116.8 | 161.9 | -161.4 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 189 | V | 42.6 | Very low | 42.7 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 83% | 0.827 | S | S | * | * | trans | 62.8 | 103.6 | 163.4 | -165.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 190 | F | 48.3 | Very low | 42.3 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | -140.7 | 114.7 | 125.3 | -94.3 | -72.1 | 0 | 0 | 0 | 110.2 | H192 | F190-H192 AromaticContact CD1-NE2 3.96Š| |||
| 191 | K | 41.7 | Very low | 41.8 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -87.5 | 126.9 | 170.7 | -69.6 | 178.8 | 176 | 179.5 | 0 | 108.3 | ||||
| 192 | H | 47.2 | Very low | 41.7 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | trans | -123.3 | 92.4 | 162.9 | -66.5 | -62.1 | 0 | 0 | 0 | 109.8 | F190 | F190-H192 AromaticContact CD1-NE2 3.96Š| ||
| 193 | T | 38.1 | Very low | 41.5 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 124.1 | 169.8 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 194 | C | 43.7 | Very low | 41.4 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -125.9 | 112.5 | 167.6 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 195 | S | 45.4 | Very low | 41.2 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -60.6 | 140.8 | -166 | -51.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 196 | S | 38.6 | Very low | 41 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | 17.1 | 122.3 | 136.6 | -50.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 197 | G | 41.3 | Very low | 41.8 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -153.1 | 104.2 | 159 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 198 | K | 41.9 | Very low | 41.5 | Very low | 209 Ų | 209 | 129 Ų | 129 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -71.5 | 161.3 | 168.6 | -79.7 | -179.6 | 173.2 | -177.8 | 0 | 109.7 | ||||
| 199 | S | 42.5 | Very low | 41.3 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | cis | -169.6 | 162 | 19 | 27.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 200 | G | 36.5 | Very low | 41.1 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 93.7 | 118.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 201 | G | 34.9 | Very low | 40.6 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 116.9 | 123.1 | 42.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 202 | S | 39.4 | Very low | 40.4 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | -153.8 | 163.3 | 23.2 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 203 | N | 41.9 | Very low | 40.2 | Very low | 151 Ų | 151 | 125.5 Ų | 125.5 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 66.5 | 100.9 | 167.6 | -64 | -4.3 | 0 | 0 | 0 | 119.4 | ||||
| 204 | P | 38.4 | Very low | 40.4 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -92.4 | 105.2 | 152.6 | 33.5 | -22.9 | 0 | 0 | 0 | 109.5 | ||||
| 205 | S | 40.3 | Very low | 40.6 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -95.8 | 111.6 | 165.6 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | V207 | S205-V207 PolarHBondContact O-N 2.99Š| ||
| 206 | D | 35.9 | Very low | 40.9 | Very low | 167 Ų | 167 | 124 Ų | 124 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -41.1 | 101.7 | 162 | -95.7 | -94.1 | 0 | 0 | 0 | 111.7 | ||||
| 207 | V | 52.1 | Low | 42.1 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | trans | -148.4 | 104.9 | 160.7 | -80.7 | 0 | 0 | 0 | 0 | 110.5 | S205 | S205-V207 PolarHBondContact O-N 2.99Š| ||
| 208 | D | 37.6 | Very low | 43.5 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 57% | 0.567 | 72% | 0.716 | S | S | * | * | trans | 62.6 | 85.6 | 151.4 | -140.5 | -78 | 0 | 0 | 0 | 119.3 | T210 | D208-T210 PolarHBondContact O-N 3.33Å; D208-T210 WeakPolarHBondContact OD1-CA 3.49Å; D208-T210 WeakPolarHBondContact OD1-CB 3.48Å; D208-T210 PolarHBondContact OD1-N 2.92Å; D208-T210 PolarHBondContact OD1-OG1 3.44Å | ||
| 209 | D | 39 | Very low | 44.9 | Very low | 179 Ų | 179 | 111.3 Ų | 111.3 | 96% | 0.957 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 40.8 | 168.8 | -141.5 | -34.4 | 0 | 0 | 0 | 112.3 | ||
| 210 | T | 39.1 | Very low | 46.6 | Very low | 113 Ų | 113 | 110 Ų | 110 | 69% | 0.693 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 1.6 | -172.3 | -5.3 | 0 | 0 | 0 | 0 | 115.6 | D208 | D208-T210 PolarHBondContact O-N 3.33Å; D208-T210 WeakPolarHBondContact OD1-CA 3.49Å; D208-T210 WeakPolarHBondContact OD1-CB 3.48Å; D208-T210 PolarHBondContact OD1-N 2.92Å; D208-T210 PolarHBondContact OD1-OG1 3.44Å |
| 211 | I | 36.7 | Very low | 48.7 | Very low | 150 Ų | 150 | 107.6 Ų | 107.6 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | trans | -132 | 57.4 | -175.5 | -39.7 | 179.6 | 0 | 0 | 0 | 112.9 | ||||
| 212 | A | 37.2 | Very low | 51 | Low | 101 Ų | 101 | 106 Ų | 106 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | trans | -124.4 | 33.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 213 | N | 43.2 | Very low | 53.1 | Low | 147 Ų | 147 | 102.8 Ų | 102.8 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | trans | -92.4 | 8.1 | 177.6 | -112.6 | -22.6 | 0 | 0 | 0 | 113.6 | C215 | N213-C215 PolarHBondContact O-N 2.92Š| ||
| 214 | D | 43 | Very low | 55.2 | Low | 154 Ų | 154 | 103.9 Ų | 103.9 | 82% | 0.824 | 60% | 0.601 | S | S | * | * | trans | -77 | 83.3 | 169.8 | -137.2 | -56.4 | 0 | 0 | 0 | 109.2 | H216 | D214-H216 VanDerWaalsContact C-N 3.32Å; D214-H216 PolarHBondContact O-N 3.44Å | ||
| 215 | C | 46.8 | Very low | 57.6 | Low | 45 Ų | 45 | 97.9 Ų | 97.9 | 30% | 0.304 | 56% | 0.561 | S | S | . | * | trans | -75.6 | 84.6 | -165.4 | -136.3 | 0 | 0 | 0 | 0 | 110 | N213 M217 Q272 | N213-C215 PolarHBondContact O-N 2.92Å; C215-M217 HydrophobicContact CB-CE 3.67Å; C215-M217 PolarHBondContact O-N 2.98Å; C215-M217 WeakPolarHBondContact SG-CE 3.28Å; C215-Q272 PolarHBondContact SG-NE2 3.19Å | ||
| 216 | H | 52.8 | Low | 59.9 | Low | 136 Ų | 136 | 98 Ų | 98 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | trans | -64.9 | 84.2 | 173.7 | -160.9 | -72.9 | 0 | 0 | 0 | 109.5 | T80 D214 S218 | T80-H216 PolarHBondContact OG1-CE1 3.43Å; D214-H216 VanDerWaalsContact C-N 3.32Å; D214-H216 PolarHBondContact O-N 3.44Å; H216-S218 PolarHBondContact O-N 3.27Å | ||
| 217 | M | 64.3 | Low | 62.3 | Low | 34 Ų | 34 | 94.9 Ų | 94.9 | 17% | 0.167 | 53% | 0.53 | C | S | . | . | trans | -52.5 | 111 | -177.4 | -73.2 | -71.4 | 121.9 | 0 | 0 | 109.4 | C215 L222 I271 Q272 | C215-M217 HydrophobicContact CB-CE 3.67Å; C215-M217 PolarHBondContact O-N 2.98Å; C215-M217 WeakPolarHBondContact SG-CE 3.28Å; M217-L222 HydrophobicContact CB-CD2 4.1Å; M217-L222 HydrophobicContact CB-CG 4.25Å; M217-I271 HydrophobicContact CG-CB 4.45Å; M217-I271 HydrophobicContact CG-CD1 4.38Å; M217-I271 HydrophobicContact CG-CG2 4.01Å; M217-I271 HydrophobicContact SD-CB 4.42Å; M217-I271 HydrophobicContact SD-CG2 3.68Å; M217-Q272 HydrophobicContact CE-CG 3.85Å | ||
| 218 | S | 69 | Low | 64.1 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | trans | -61.9 | 144.5 | -179.1 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | H216 T220 S221 L222 | H216-S218 PolarHBondContact O-N 3.27Å; S218-T220 PolarHBondContact O-N 2.92Å; S218-T220 PolarHBondContact OG-OG1 3.32Å; S218-S221 PolarHBondContact O-N 2.88Å; S218-S221 PolarHBondContact OG-N 3.33Å; S218-S221 VanDerWaalsContact OG-N 3.16Å; S218-L222 PolarHBondContact O-N 2.99Å; S218-L222 VanDerWaalsContact O-N 3.12Å | ||
| 219 | A | 72.9 | Confident | 66.6 | Low | 61 Ų | 61 | 88.6 Ų | 88.6 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54 | -27.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L82 A223 | L82-A219 HydrophobicContact CD1-CB 4.24Å; A219-A223 WeakPolarHBondContact O-CB 3.43Å; A219-A223 PolarHBondContact O-N 3.45Å |
| 220 | T | 77 | Confident | 68.8 | Low | 92 Ų | 92 | 83.9 Ų | 83.9 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.4 | -34 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | S218 R224 | S218-T220 PolarHBondContact O-N 2.92Å; S218-T220 PolarHBondContact OG-OG1 3.32Å; T220-R224 WeakPolarHBondContact O-CB 3.47Å; T220-R224 WeakPolarHBondContact O-CD 3.19Å; T220-R224 VanDerWaalsContact O-CG 3.23Å; T220-R224 WeakPolarHBondContact O-CG 3.34Å; T220-R224 PolarHBondContact O-N 2.88Å; T220-R224 VanDerWaalsContact O-N 3.11Å |
| 221 | S | 81.9 | Confident | 71.1 | Confident | 31 Ų | 31 | 81.8 Ų | 81.8 | 22% | 0.217 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.4 | -42.4 | 172.4 | -136.3 | 0 | 0 | 0 | 0 | 111.2 | S218 A223 R224 L225 E275 | S218-S221 PolarHBondContact O-N 2.88Å; S218-S221 PolarHBondContact OG-N 3.33Å; S218-S221 VanDerWaalsContact OG-N 3.16Å; S221-A223 PolarHBondContact O-N 3.48Å; S221-R224 PolarHBondContact O-N 3.26Å; S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 PolarHBondContact O-N 3.22Å; S221-E275 PolarHBondContact OG-OE1 3.44Å |
| 222 | L | 82.7 | Confident | 73.6 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.1 | -62 | -179.5 | 0 | 0 | 0 | 112.4 | M217 S218 L225 R226 I271 | M217-L222 HydrophobicContact CB-CD2 4.1Å; M217-L222 HydrophobicContact CB-CG 4.25Å; S218-L222 PolarHBondContact O-N 2.99Å; S218-L222 VanDerWaalsContact O-N 3.12Å; L222-L225 PolarHBondContact O-N 3.11Å; L222-R226 WeakPolarHBondContact O-CB 3.5Å; L222-R226 PolarHBondContact O-N 3.38Å; L222-I271 HydrophobicContact CD2-CD1 3.98Å; L222-I271 HydrophobicContact CD2-CG2 3.79Å |
| 223 | A | 82.6 | Confident | 75.9 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A219 S221 L225 R226 D227 | A219-A223 WeakPolarHBondContact O-CB 3.43Å; A219-A223 PolarHBondContact O-N 3.45Å; S221-A223 PolarHBondContact O-N 3.48Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.97Å; A223-R226 WeakPolarHBondContact O-CB 3.23Å; A223-R226 PolarHBondContact O-N 2.77Å; A223-D227 VanDerWaalsContact O-CG 3.29Å; A223-D227 PolarHBondContact O-N 2.83Å |
| 224 | R | 86.5 | Confident | 78 | Confident | 175 Ų | 175 | 76.1 Ų | 76.1 | 66% | 0.66 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.9 | -39 | 176.3 | -73.7 | 169.5 | 175.8 | -172.3 | -0.8 | 112.6 | T220 S221 D227 K228 | T220-R224 WeakPolarHBondContact O-CB 3.47Å; T220-R224 WeakPolarHBondContact O-CD 3.19Å; T220-R224 VanDerWaalsContact O-CG 3.23Å; T220-R224 WeakPolarHBondContact O-CG 3.34Å; T220-R224 PolarHBondContact O-N 2.88Å; T220-R224 VanDerWaalsContact O-N 3.11Å; S221-R224 PolarHBondContact O-N 3.26Å; R224-D227 PolarHBondContact O-N 3.47Å; R224-K228 WeakPolarHBondContact O-CB 3.33Å; R224-K228 VanDerWaalsContact O-CG 3.28Å; R224-K228 WeakPolarHBondContact O-CG 3.5Å; R224-K228 PolarHBondContact O-N 3.3Å |
| 225 | L | 88.9 | Confident | 80 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 177.1 | 179.1 | 60.6 | 0 | 0 | 0 | 111.3 | S221 L222 A223 D227 K228 I229 L263 I271 L274 E275 F278 | S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 PolarHBondContact O-N 3.22Å; L222-L225 PolarHBondContact O-N 3.11Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.97Å; L225-D227 VanDerWaalsContact C-N 3.33Å; L225-D227 PolarHBondContact O-N 3.21Å; L225-K228 PolarHBondContact O-N 3.01Å; L225-I229 HydrophobicContact CD1-CD1 4.03Å; L225-I229 HydrophobicContact CD1-CG1 4.23Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.48Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.43Å; L225-I229 PolarHBondContact O-N 3.25Å; L225-L263 HydrophobicContact CD2-CD1 4.25Å; L225-L263 HydrophobicContact CD2-CD2 4.29Å; L225-L263 HydrophobicContact CG-CD1 4.4Å; L225-I271 HydrophobicContact CD2-CG2 3.77Å; L225-L274 HydrophobicContact CD1-CB 4.07Å; L225-L274 HydrophobicContact CD2-CB 4Å; L225-L274 HydrophobicContact CD2-CD1 4.21Å; L225-E275 HydrophobicContact CD1-CG 4.01Å; L225-E275 HydrophobicContact CD2-CG 4.2Å; L225-E275 HydrophobicContact CG-CG 4.47Å; L225-F278 HydrophobicContact CD1-CD2 4.09Å; L225-F278 HydrophobicContact CD1-CE2 3.67Å |
| 226 | R | 88.6 | Confident | 82 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 38% | 0.377 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.4 | -48.7 | 171.9 | 164.3 | 176.8 | -165.5 | -143.4 | 1 | 111.6 | L90 L222 A223 I229 A230 | L90-R226 HydrophobicContact CD1-CB 3.95Å; L90-R226 HydrophobicContact CD1-CG 4.12Å; L90-R226 HydrophobicContact CD2-CB 4.18Å; L90-R226 HydrophobicContact CD2-CG 3.56Å; L222-R226 WeakPolarHBondContact O-CB 3.5Å; L222-R226 PolarHBondContact O-N 3.38Å; A223-R226 WeakPolarHBondContact O-CB 3.23Å; A223-R226 PolarHBondContact O-N 2.77Å; R226-I229 PolarHBondContact O-N 3.4Å; R226-A230 WeakPolarHBondContact O-CB 3.5Å; R226-A230 PolarHBondContact O-N 2.8Å |
| 227 | D | 86.5 | Confident | 83.8 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | -178.6 | -65.2 | -23.4 | 0 | 0 | 0 | 111.3 | A223 R224 L225 A230 A231 | A223-D227 VanDerWaalsContact O-CG 3.29Å; A223-D227 PolarHBondContact O-N 2.83Å; R224-D227 PolarHBondContact O-N 3.47Å; L225-D227 VanDerWaalsContact C-N 3.33Å; L225-D227 PolarHBondContact O-N 3.21Å; D227-A230 PolarHBondContact O-N 3.11Å; D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 3.43Å |
| 228 | K | 89.7 | Confident | 85 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 172.1 | -78 | 176.1 | 178.2 | -177.6 | 0 | 112.3 | R224 L225 A231 V232 F278 | R224-K228 WeakPolarHBondContact O-CB 3.33Å; R224-K228 VanDerWaalsContact O-CG 3.28Å; R224-K228 WeakPolarHBondContact O-CG 3.5Å; R224-K228 PolarHBondContact O-N 3.3Å; L225-K228 PolarHBondContact O-N 3.01Å; K228-A231 PolarHBondContact O-N 2.97Å; K228-V232 WeakPolarHBondContact O-CG2 3.35Å; K228-V232 PolarHBondContact O-N 2.88Å; K228-F278 HydrophobicContact CB-CD1 3.98Å; K228-F278 HydrophobicContact CB-CD2 4.35Å; K228-F278 HydrophobicContact CB-CE1 3.68Å; K228-F278 HydrophobicContact CB-CE2 4.1Å; K228-F278 HydrophobicContact CB-CG 4.31Å; K228-F278 HydrophobicContact CB-CZ 3.76Å; K228-F278 HydrophobicContact CD-CB 4.32Å; K228-F278 HydrophobicContact CD-CD1 4.34Å; K228-F278 HydrophobicContact CD-CD2 4.23Å; K228-F278 HydrophobicContact CD-CG 4.03Å; K228-F278 HydrophobicContact CG-CD1 4.43Å; K228-F278 WeakPolarHBondContact O-CE1 3.46Å |
| 229 | I | 89.7 | Confident | 85.9 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.2 | -72.6 | 169.5 | 0 | 0 | 0 | 111.1 | L90 L92 L225 R226 A231 V232 F261 L263 L274 F278 | L90-I229 HydrophobicContact CD1-CD1 4.23Å; L90-I229 HydrophobicContact CD1-CG2 4.45Å; L92-I229 HydrophobicContact CD1-CG2 4.48Å; L225-I229 HydrophobicContact CD1-CD1 4.03Å; L225-I229 HydrophobicContact CD1-CG1 4.23Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.48Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.43Å; L225-I229 PolarHBondContact O-N 3.25Å; R226-I229 PolarHBondContact O-N 3.4Å; I229-A231 PolarHBondContact O-N 3.12Å; I229-V232 WeakPolarHBondContact O-CB 3.46Å; I229-V232 WeakPolarHBondContact O-CG2 3.34Å; I229-V232 PolarHBondContact O-N 3.16Å; I229-F261 HydrophobicContact CD1-CE2 4.36Å; I229-F261 HydrophobicContact CD1-CZ 4.26Å; I229-F261 HydrophobicContact CG2-CZ 3.92Å; I229-L263 HydrophobicContact CD1-CD2 4.32Å; I229-L274 HydrophobicContact CD1-CD1 4.48Å; I229-F278 HydrophobicContact CG1-CE2 4.07Å; I229-F278 HydrophobicContact CG1-CZ 3.82Å |
| 230 | A | 85.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.5 | -28 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R226 D227 | R226-A230 WeakPolarHBondContact O-CB 3.5Å; R226-A230 PolarHBondContact O-N 2.8Å; D227-A230 PolarHBondContact O-N 3.11Å |
| 231 | A | 87.3 | Confident | 87.4 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D227 K228 I229 K233 | D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 3.43Å; K228-A231 PolarHBondContact O-N 2.97Å; I229-A231 PolarHBondContact O-N 3.12Å; A231-K233 PolarHBondContact O-N 2.91Å; A231-K233 VanDerWaalsContact O-N 3.17Å |
| 232 | V | 88.2 | Confident | 87.8 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | trans | -62.2 | 117.9 | -179 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L92 K228 I229 L237 A238 I241 F278 | L92-V232 HydrophobicContact CD1-CB 4.16Å; L92-V232 HydrophobicContact CD1-CG1 4.37Å; K228-V232 WeakPolarHBondContact O-CG2 3.35Å; K228-V232 PolarHBondContact O-N 2.88Å; I229-V232 WeakPolarHBondContact O-CB 3.46Å; I229-V232 WeakPolarHBondContact O-CG2 3.34Å; I229-V232 PolarHBondContact O-N 3.16Å; V232-L237 HydrophobicContact CG1-CB 4.32Å; V232-L237 HydrophobicContact CG1-CD2 4.38Å; V232-L237 HydrophobicContact CG1-CG 4.26Å; V232-L237 HydrophobicContact CG2-CD2 4.11Å; V232-L237 HydrophobicContact CG2-CG 4.36Å; V232-A238 HydrophobicContact CG1-CB 3.89Å; V232-I241 HydrophobicContact CG2-CD1 3.84Å; V232-F278 HydrophobicContact CG2-CE1 3.62Å; V232-F278 HydrophobicContact CG2-CZ 3.86Å | ||
| 233 | K | 86.7 | Confident | 88.1 | Confident | 196 Ų | 196 | 61.5 Ų | 61.5 | 85% | 0.852 | 32% | 0.322 | S | S | * | . | trans | -113.4 | -19.6 | 170.1 | -64.3 | 177.8 | -175.7 | 175.2 | 0 | 113.3 | A231 P235 | A231-K233 PolarHBondContact O-N 2.91Å; A231-K233 VanDerWaalsContact O-N 3.17Å; K233-P235 WeakPolarHBondContact O-CD 3.44Å | ||
| 234 | D | 86.9 | Confident | 88.5 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | trans | -74.4 | 120.3 | 178.8 | 169.7 | 23.6 | 0 | 0 | 0 | 110.5 | S236 L237 A238 | D234-S236 VanDerWaalsContact C-N 3.26Å; D234-S236 PolarHBondContact O-N 3.11Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 2.92Å; D234-S236 PolarHBondContact OD1-OG 3.22Å; D234-S236 PolarHBondContact OD2-OG 2.99Å; D234-L237 HydrophobicContact CB-CB 4.04Å; D234-L237 PolarHBondContact O-N 3.01Å; D234-L237 WeakPolarHBondContact OD2-CB 3.27Å; D234-L237 PolarHBondContact OD2-N 2.84Å; D234-L237 VanDerWaalsContact OD2-N 3.08Å; D234-A238 WeakPolarHBondContact O-CB 3.43Å; D234-A238 PolarHBondContact O-N 3.24Å | ||
| 235 | P | 85.9 | Confident | 88.7 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -30.7 | 176.2 | 26.7 | -35.1 | 0 | 0 | 0 | 112.9 | H96 L97 K233 A238 Q239 | H96-P235 HydrophobicContact CB-CB 4.46Å; L97-P235 HydrophobicContact CD2-CB 4.3Å; K233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-A238 PolarHBondContact O-N 3.4Å; P235-Q239 WeakPolarHBondContact O-CB 3.26Å; P235-Q239 PolarHBondContact O-N 2.89Å |
| 236 | S | 87.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | -179.6 | 94.8 | 0 | 0 | 0 | 0 | 112.2 | D234 R240 | D234-S236 VanDerWaalsContact C-N 3.26Å; D234-S236 PolarHBondContact O-N 3.11Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 2.92Å; D234-S236 PolarHBondContact OD1-OG 3.22Å; D234-S236 PolarHBondContact OD2-OG 2.99Å; S236-R240 WeakPolarHBondContact O-CG 3.38Å; S236-R240 PolarHBondContact O-N 2.78Å; S236-R240 PolarHBondContact O-NE 2.99Å; S236-R240 PolarHBondContact OG-NH2 2.87Å |
| 237 | L | 90.3 | Very high | 88.6 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.2 | -41.2 | 173.9 | -178.9 | 58.2 | 0 | 0 | 0 | 111 | V232 D234 Q239 R240 I241 C277 F278 | V232-L237 HydrophobicContact CG1-CB 4.32Å; V232-L237 HydrophobicContact CG1-CD2 4.38Å; V232-L237 HydrophobicContact CG1-CG 4.26Å; V232-L237 HydrophobicContact CG2-CD2 4.11Å; V232-L237 HydrophobicContact CG2-CG 4.36Å; D234-L237 HydrophobicContact CB-CB 4.04Å; D234-L237 PolarHBondContact O-N 3.01Å; D234-L237 WeakPolarHBondContact OD2-CB 3.27Å; D234-L237 PolarHBondContact OD2-N 2.84Å; D234-L237 VanDerWaalsContact OD2-N 3.08Å; L237-Q239 VanDerWaalsContact C-N 3.35Å; L237-Q239 PolarHBondContact O-N 2.83Å; L237-R240 PolarHBondContact O-N 2.85Å; L237-I241 HydrophobicContact CD1-CD1 4.08Å; L237-I241 HydrophobicContact CD1-CG1 4.38Å; L237-I241 HydrophobicContact CG-CD1 3.95Å; L237-I241 WeakPolarHBondContact O-CG1 3.5Å; L237-I241 PolarHBondContact O-N 2.91Å; L237-C277 HydrophobicContact CD1-CB 3.77Å; L237-C277 WeakPolarHBondContact CD1-O 3.48Å; L237-F278 HydrophobicContact CD2-CD1 3.87Å; L237-F278 HydrophobicContact CD2-CE1 3.83Å |
| 238 | A | 89.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 L97 V232 D234 P235 I241 A242 | L92-A238 HydrophobicContact CD1-CB 4.38Å; L97-A238 HydrophobicContact CD1-CB 4.14Å; V232-A238 HydrophobicContact CG1-CB 3.89Å; D234-A238 WeakPolarHBondContact O-CB 3.43Å; D234-A238 PolarHBondContact O-N 3.24Å; P235-A238 PolarHBondContact O-N 3.4Å; A238-I241 PolarHBondContact O-N 3.09Å; A238-A242 WeakPolarHBondContact O-CB 3.39Å; A238-A242 PolarHBondContact O-N 2.95Å |
| 239 | Q | 88.4 | Confident | 88.3 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175.2 | -172.2 | 65.7 | 50 | 0 | 0 | 111.5 | L97 P235 L237 I241 A242 D243 | L97-Q239 HydrophobicContact CD1-CB 4.27Å; L97-Q239 HydrophobicContact CD2-CB 4.04Å; P235-Q239 WeakPolarHBondContact O-CB 3.26Å; P235-Q239 PolarHBondContact O-N 2.89Å; L237-Q239 VanDerWaalsContact C-N 3.35Å; L237-Q239 PolarHBondContact O-N 2.83Å; Q239-I241 VanDerWaalsContact C-N 3.28Å; Q239-I241 PolarHBondContact O-N 3.42Å; Q239-A242 PolarHBondContact O-N 3.23Å; Q239-A242 VanDerWaalsContact O-N 3.11Å; Q239-D243 PolarHBondContact NE2-OD1 3.07Å; Q239-D243 WeakPolarHBondContact O-CB 3.45Å; Q239-D243 VanDerWaalsContact O-CG 3.24Å; Q239-D243 PolarHBondContact O-N 3.4Å |
| 240 | R | 90.5 | Very high | 88 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 177.9 | -78.4 | 178.9 | -83.6 | 174 | -7.5 | 112.6 | S236 L237 L244 | S236-R240 WeakPolarHBondContact O-CG 3.38Å; S236-R240 PolarHBondContact O-N 2.78Å; S236-R240 PolarHBondContact O-NE 2.99Å; S236-R240 PolarHBondContact OG-NH2 2.87Å; L237-R240 PolarHBondContact O-N 2.85Å; R240-L244 WeakPolarHBondContact O-CB 3.43Å; R240-L244 PolarHBondContact O-N 3.35Å |
| 241 | I | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 175.1 | -68.2 | 165.3 | 0 | 0 | 0 | 110.6 | L92 V232 L237 A238 Q239 D243 L244 I245 L274 F278 | L92-I241 HydrophobicContact CD2-CB 4.17Å; L92-I241 HydrophobicContact CD2-CG2 3.78Å; V232-I241 HydrophobicContact CG2-CD1 3.84Å; L237-I241 HydrophobicContact CD1-CD1 4.08Å; L237-I241 HydrophobicContact CD1-CG1 4.38Å; L237-I241 HydrophobicContact CG-CD1 3.95Å; L237-I241 WeakPolarHBondContact O-CG1 3.5Å; L237-I241 PolarHBondContact O-N 2.91Å; A238-I241 PolarHBondContact O-N 3.09Å; Q239-I241 VanDerWaalsContact C-N 3.28Å; Q239-I241 PolarHBondContact O-N 3.42Å; I241-D243 PolarHBondContact O-N 3.32Å; I241-L244 PolarHBondContact O-N 3.38Å; I241-I245 HydrophobicContact CG2-CD1 3.59Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CD1 3.34Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.33Å; I241-L274 HydrophobicContact CB-CD2 4.4Å; I241-L274 HydrophobicContact CG1-CD2 4.29Å; I241-L274 HydrophobicContact CG2-CD2 3.87Å; I241-F278 HydrophobicContact CD1-CE1 4.36Å; I241-F278 HydrophobicContact CD1-CE2 4.12Å; I241-F278 HydrophobicContact CD1-CZ 3.65Å |
| 242 | A | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L92 L97 I102 A238 Q239 L244 I245 A246 L259 | L92-A242 HydrophobicContact CD2-CB 4.43Å; L97-A242 HydrophobicContact CD1-CB 4.36Å; I102-A242 HydrophobicContact CD1-CB 4.03Å; I102-A242 HydrophobicContact CG1-CB 4.46Å; A238-A242 WeakPolarHBondContact O-CB 3.39Å; A238-A242 PolarHBondContact O-N 2.95Å; Q239-A242 PolarHBondContact O-N 3.23Å; Q239-A242 VanDerWaalsContact O-N 3.11Å; A242-L244 VanDerWaalsContact C-N 3.32Å; A242-L244 PolarHBondContact O-N 3.24Å; A242-I245 PolarHBondContact O-N 2.87Å; A242-A246 VanDerWaalsContact O-CB 3.27Å; A242-A246 WeakPolarHBondContact O-CB 3.35Å; A242-A246 PolarHBondContact O-N 3.46Å; A242-L259 HydrophobicContact CB-CD2 3.9Å |
| 243 | D | 89.5 | Confident | 87.9 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 176.8 | -67.5 | -21.9 | 0 | 0 | 0 | 112.4 | Q239 I241 K247 | Q239-D243 PolarHBondContact NE2-OD1 3.07Å; Q239-D243 WeakPolarHBondContact O-CB 3.45Å; Q239-D243 VanDerWaalsContact O-CG 3.24Å; Q239-D243 PolarHBondContact O-N 3.4Å; I241-D243 PolarHBondContact O-N 3.32Å; D243-K247 WeakPolarHBondContact O-CD 3.45Å; D243-K247 VanDerWaalsContact O-CG 3.26Å; D243-K247 WeakPolarHBondContact O-CG 3.48Å; D243-K247 PolarHBondContact O-N 3.29Å |
| 244 | L | 91.3 | Very high | 87.7 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -46.2 | 177.7 | -161.8 | 93.5 | 0 | 0 | 0 | 110.8 | R240 I241 A242 K247 H248 V270 M273 L274 | R240-L244 WeakPolarHBondContact O-CB 3.43Å; R240-L244 PolarHBondContact O-N 3.35Å; I241-L244 PolarHBondContact O-N 3.38Å; A242-L244 VanDerWaalsContact C-N 3.32Å; A242-L244 PolarHBondContact O-N 3.24Å; L244-K247 PolarHBondContact O-N 3.33Å; L244-H248 PolarHBondContact O-CD2 2.85Å; L244-H248 VanDerWaalsContact O-CD2 3.29Å; L244-H248 PolarHBondContact O-N 3.31Å; L244-V270 HydrophobicContact CD2-CG1 3.79Å; L244-V270 HydrophobicContact CG-CG1 4.38Å; L244-M273 HydrophobicContact CD1-CB 3.91Å; L244-M273 HydrophobicContact CD1-CE 4.05Å; L244-M273 HydrophobicContact CD1-SD 4.08Å; L244-M273 HydrophobicContact CD2-CB 3.79Å; L244-M273 HydrophobicContact CG-CB 4.47Å; L244-L274 HydrophobicContact CB-CD2 4.48Å; L244-L274 HydrophobicContact CD2-CB 4.42Å; L244-L274 HydrophobicContact CD2-CD2 3.51Å; L244-L274 HydrophobicContact CD2-CG 3.53Å |
| 245 | I | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 176.1 | -66.7 | 161 | 0 | 0 | 0 | 109.6 | I241 A242 K247 H248 A249 F251 L259 F261 M266 | I241-I245 HydrophobicContact CG2-CD1 3.59Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CD1 3.34Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.33Å; A242-I245 PolarHBondContact O-N 2.87Å; I245-K247 PolarHBondContact O-N 3.13Å; I245-K247 VanDerWaalsContact O-N 3.07Å; I245-H248 PolarHBondContact O-N 3.03Å; I245-A249 HydrophobicContact CG2-CB 4.3Å; I245-A249 PolarHBondContact O-N 3.29Å; I245-A249 VanDerWaalsContact O-O 3.08Å; I245-F251 HydrophobicContact CG2-CB 4.02Å; I245-F251 HydrophobicContact CG2-CD1 4.31Å; I245-F251 HydrophobicContact CG2-CG 4.5Å; I245-L259 HydrophobicContact CB-CD2 4.25Å; I245-L259 HydrophobicContact CD1-CD2 3.89Å; I245-L259 HydrophobicContact CG2-CD2 4.12Å; I245-F261 HydrophobicContact CD1-CD1 3.59Å; I245-F261 HydrophobicContact CD1-CD2 4.02Å; I245-F261 HydrophobicContact CD1-CE1 3.39Å; I245-F261 HydrophobicContact CD1-CE2 3.82Å; I245-F261 HydrophobicContact CD1-CG 3.87Å; I245-F261 HydrophobicContact CD1-CZ 3.48Å; I245-F261 VanDerWaalsContact CD1-CZ 3.48Å; I245-F261 HydrophobicContact CG1-CD2 4.48Å; I245-F261 HydrophobicContact CG1-CG 4.46Å; I245-F261 HydrophobicContact CG2-CB 3.96Å; I245-F261 HydrophobicContact CG2-CD1 4.44Å; I245-F261 HydrophobicContact CG2-CG 4.17Å; I245-M266 HydrophobicContact CG1-CE 3.97Å |
| 246 | A | 88 | Confident | 87 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -16.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I102 H105 A242 F251 | I102-A246 HydrophobicContact CG2-CB 4.26Å; H105-A246 HydrophobicContact CB-CB 4.31Å; H105-A246 WeakPolarHBondContact CB-O 3.31Å; A242-A246 VanDerWaalsContact O-CB 3.27Å; A242-A246 WeakPolarHBondContact O-CB 3.35Å; A242-A246 PolarHBondContact O-N 3.46Å; A246-F251 HydrophobicContact CB-CD1 4.33Å; A246-F251 HydrophobicContact CB-CE1 3.58Å; A246-F251 HydrophobicContact CB-CZ 4.16Å |
| 247 | K | 88.1 | Confident | 86.8 | Confident | 130 Ų | 130 | 49.7 Ų | 49.7 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -92.1 | -22.1 | 174.2 | -73.4 | 168.1 | -173.3 | 167.2 | 0 | 114.1 | D243 L244 I245 | D243-K247 WeakPolarHBondContact O-CD 3.45Å; D243-K247 VanDerWaalsContact O-CG 3.26Å; D243-K247 WeakPolarHBondContact O-CG 3.48Å; D243-K247 PolarHBondContact O-N 3.29Å; L244-K247 PolarHBondContact O-N 3.33Å; I245-K247 PolarHBondContact O-N 3.13Å; I245-K247 VanDerWaalsContact O-N 3.07Å |
| 248 | H | 84.5 | Confident | 86.5 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -133.4 | -10.8 | -163.6 | -66.1 | -62.4 | 0 | 0 | 0 | 115.9 | L244 I245 V270 | L244-H248 PolarHBondContact O-CD2 2.85Å; L244-H248 VanDerWaalsContact O-CD2 3.29Å; L244-H248 PolarHBondContact O-N 3.31Å; I245-H248 PolarHBondContact O-N 3.03Å; H248-V270 HydrophobicContact CB-CB 4.48Å; H248-V270 HydrophobicContact CB-CG1 3.93Å; H248-V270 HydrophobicContact CB-CG2 3.64Å |
| 249 | A | 83.8 | Confident | 86.5 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -145.1 | 152.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I245 M266 | I245-A249 HydrophobicContact CG2-CB 4.3Å; I245-A249 PolarHBondContact O-N 3.29Å; I245-A249 VanDerWaalsContact O-O 3.08Å; A249-M266 HydrophobicContact CB-CE 3.93Å; A249-M266 HydrophobicContact CB-CG 3.94Å; A249-M266 HydrophobicContact CB-SD 4.33Å |
| 250 | D | 84.1 | Confident | 86.5 | Confident | 138 Ų | 138 | 51.9 Ų | 51.9 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | trans | -70.2 | 138.5 | 169.3 | -71.8 | -52.4 | 0 | 0 | 0 | 110.8 | ||||
| 251 | F | 88.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146 | 178.2 | 67.9 | -94.7 | 0 | 0 | 0 | 112.4 | I102 N106 I245 A246 V253 L259 Q260 F261 | I102-F251 HydrophobicContact CG2-CE2 4.36Å; I102-F251 HydrophobicContact CG2-CZ 4.1Å; N106-F251 HydrophobicContact CB-CE1 3.68Å; N106-F251 HydrophobicContact CB-CE2 4.18Å; N106-F251 HydrophobicContact CB-CZ 3.44Å; N106-F251 VanDerWaalsContact CB-CZ 3.44Å; N106-F251 WeakPolarHBondContact ND2-CZ 3.3Å; N106-F251 PolarHBondContact ND2-O 3.21Å; I245-F251 HydrophobicContact CG2-CB 4.02Å; I245-F251 HydrophobicContact CG2-CD1 4.31Å; I245-F251 HydrophobicContact CG2-CG 4.5Å; A246-F251 HydrophobicContact CB-CD1 4.33Å; A246-F251 HydrophobicContact CB-CE1 3.58Å; A246-F251 HydrophobicContact CB-CZ 4.16Å; F251-V253 HydrophobicContact CD2-CG2 4.1Å; F251-V253 HydrophobicContact CE2-CG2 3.87Å; F251-L259 HydrophobicContact CB-CD1 4.11Å; F251-L259 HydrophobicContact CB-CG 4.3Å; F251-L259 HydrophobicContact CD2-CD1 3.26Å; F251-L259 HydrophobicContact CD2-CG 4.31Å; F251-L259 HydrophobicContact CE2-CD1 3.67Å; F251-L259 HydrophobicContact CG-CD1 3.77Å; F251-L259 HydrophobicContact CG-CG 4.44Å; F251-L259 HydrophobicContact CZ-CD1 4.49Å; F251-Q260 CarbonylContact C-O 3.54Å; F251-Q260 WeakPolarHBondContact CA-O 3.48Å; F251-F261 HydrophobicContact CB-CB 4.3Å |
| 252 | D | 85.9 | Confident | 86.2 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.7 | 171 | -62.5 | -54.2 | 0 | 0 | 0 | 109.1 | K89 V254 Q260 | K89-D252 IonicContact NZ-OD2 2.74Å; K89-D252 PolarHBondContact NZ-OD2 3.26Å; D252-V254 HydrophobicContact CB-CG2 4.27Å; D252-V254 PolarHBondContact O-N 3.04Å; D252-Q260 HydrophobicContact CB-CB 4.24Å; D252-Q260 PolarHBondContact N-O 2.8Å; D252-Q260 WeakPolarHBondContact O-CB 3.27Å; D252-Q260 PolarHBondContact O-N 3.48Å; D252-Q260 PolarHBondContact OD2-NE2 2.86Å |
| 253 | V | 85.3 | Confident | 85.9 | Confident | 55 Ų | 55 | 49 Ų | 49 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.6 | 166.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | V99 F251 L259 | V99-V253 HydrophobicContact CG1-CG1 4.02Å; V99-V253 HydrophobicContact CG1-CG2 4.4Å; F251-V253 HydrophobicContact CD2-CG2 4.1Å; F251-V253 HydrophobicContact CE2-CG2 3.87Å; V253-L259 HydrophobicContact CG2-CD1 4.38Å |
| 254 | V | 82.5 | Confident | 85.4 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | D252 G256 H257 F258 Q260 | D252-V254 HydrophobicContact CB-CG2 4.27Å; D252-V254 PolarHBondContact O-N 3.04Å; V254-G256 PolarHBondContact O-N 2.91Å; V254-H257 PolarHBondContact O-N 2.91Å; V254-F258 HydrophobicContact CB-CB 4.3Å; V254-F258 PolarHBondContact N-O 3.27Å; V254-F258 PolarHBondContact O-N 3.06Å; V254-Q260 HydrophobicContact CG2-CB 3.68Å; V254-Q260 HydrophobicContact CG2-CG 4.38Å |
| 255 | A | 78.8 | Confident | 84.9 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H257 | A255-H257 PolarHBondContact O-CD2 3.01Å; A255-H257 VanDerWaalsContact O-CD2 3.28Å; A255-H257 PolarHBondContact O-N 3.2Å |
| 256 | G | 78.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 2.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | V254 | V254-G256 PolarHBondContact O-N 2.91Š|
| 257 | H | 83.5 | Confident | 84.5 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -10.9 | -172.8 | -59.4 | -38.8 | 0 | 0 | 0 | 113.7 | I94 V254 A255 | I94-H257 WeakPolarHBondContact CG1-O 3.45Å; I94-H257 PolarHBondContact N-O 3.34Å; V254-H257 PolarHBondContact O-N 2.91Å; A255-H257 PolarHBondContact O-CD2 3.01Å; A255-H257 VanDerWaalsContact O-CD2 3.28Å; A255-H257 PolarHBondContact O-N 3.2Å |
| 258 | F | 84.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.1 | -179.1 | -59.2 | -82.3 | 0 | 0 | 0 | 111.2 | K91 L92 R93 V254 | K91-F258 HydrophobicContact CB-CB 4.45Å; K91-F258 HydrophobicContact CB-CD1 4.3Å; L92-F258 CarbonylContact O-C 3.47Å; L92-F258 VanDerWaalsContact O-CA 3.26Å; L92-F258 WeakPolarHBondContact O-CA 3.42Å; R93-F258 HydrophobicContact CB-CD1 4.28Å; R93-F258 HydrophobicContact CB-CE1 4.12Å; R93-F258 HydrophobicContact CG-CE1 4.28Å; V254-F258 HydrophobicContact CB-CB 4.3Å; V254-F258 PolarHBondContact N-O 3.27Å; V254-F258 PolarHBondContact O-N 3.06Å |
| 259 | L | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116.2 | 163.8 | -164.6 | 75.8 | 0 | 0 | 0 | 107.2 | K91 L92 I94 I102 A242 I245 F251 V253 F261 | K91-L259 WeakPolarHBondContact CA-O 3.32Å; L92-L259 HydrophobicContact CB-CB 4.33Å; L92-L259 HydrophobicContact CD2-CD2 4.49Å; L92-L259 PolarHBondContact N-O 2.83Å; L92-L259 PolarHBondContact O-N 3.06Å; I94-L259 HydrophobicContact CD1-CB 4.19Å; I94-L259 HydrophobicContact CD1-CD1 4.5Å; I94-L259 HydrophobicContact CG2-CB 3.82Å; I102-L259 HydrophobicContact CG2-CD1 4.26Å; A242-L259 HydrophobicContact CB-CD2 3.9Å; I245-L259 HydrophobicContact CB-CD2 4.25Å; I245-L259 HydrophobicContact CD1-CD2 3.89Å; I245-L259 HydrophobicContact CG2-CD2 4.12Å; F251-L259 HydrophobicContact CB-CD1 4.11Å; F251-L259 HydrophobicContact CB-CG 4.3Å; F251-L259 HydrophobicContact CD2-CD1 3.26Å; F251-L259 HydrophobicContact CD2-CG 4.31Å; F251-L259 HydrophobicContact CE2-CD1 3.67Å; F251-L259 HydrophobicContact CG-CD1 3.77Å; F251-L259 HydrophobicContact CG-CG 4.44Å; F251-L259 HydrophobicContact CZ-CD1 4.49Å; V253-L259 HydrophobicContact CG2-CD1 4.38Å; L259-F261 HydrophobicContact CD2-CD1 4.31Å; L259-F261 HydrophobicContact CG-CD1 4.31Å |
| 260 | Q | 88.7 | Confident | 84.6 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125 | 179.5 | -175.7 | -174.9 | -92.1 | 0 | 0 | 110.1 | K89 L90 K91 F251 D252 V254 | K89-Q260 HydrophobicContact CB-CG 3.93Å; K89-Q260 HydrophobicContact CD-CG 4.19Å; L90-Q260 WeakPolarHBondContact O-CA 3.42Å; L90-Q260 WeakPolarHBondContact O-CG 3.48Å; K91-Q260 HydrophobicContact CG-CB 4.22Å; K91-Q260 HydrophobicContact CG-CG 4.08Å; F251-Q260 CarbonylContact C-O 3.54Å; F251-Q260 WeakPolarHBondContact CA-O 3.48Å; D252-Q260 HydrophobicContact CB-CB 4.24Å; D252-Q260 PolarHBondContact N-O 2.8Å; D252-Q260 WeakPolarHBondContact O-CB 3.27Å; D252-Q260 PolarHBondContact O-N 3.48Å; D252-Q260 PolarHBondContact OD2-NE2 2.86Å; V254-Q260 HydrophobicContact CG2-CB 3.68Å; V254-Q260 HydrophobicContact CG2-CG 4.38Å |
| 261 | F | 89.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 164.2 | -172.1 | 58.4 | -90 | 0 | 0 | 0 | 109.7 | K89 L90 L92 I229 I245 F251 L259 L263 M266 | K89-F261 CarbonylContact C-O 3.55Å; K89-F261 VanDerWaalsContact CA-O 3.31Å; K89-F261 WeakPolarHBondContact CA-O 3.26Å; L90-F261 HydrophobicContact CB-CD2 4.4Å; L90-F261 HydrophobicContact CB-CE1 4.49Å; L90-F261 HydrophobicContact CB-CE2 4Å; L90-F261 HydrophobicContact CB-CZ 4.07Å; L90-F261 HydrophobicContact CD1-CE2 4.1Å; L90-F261 HydrophobicContact CD1-CZ 4.45Å; L90-F261 HydrophobicContact CG-CE2 4.42Å; L90-F261 PolarHBondContact N-O 2.82Å; L90-F261 PolarHBondContact O-N 3.22Å; L90-F261 VanDerWaalsContact O-N 3.12Å; L92-F261 HydrophobicContact CB-CE1 3.82Å; I229-F261 HydrophobicContact CD1-CE2 4.36Å; I229-F261 HydrophobicContact CD1-CZ 4.26Å; I229-F261 HydrophobicContact CG2-CZ 3.92Å; I245-F261 HydrophobicContact CD1-CD1 3.59Å; I245-F261 HydrophobicContact CD1-CD2 4.02Å; I245-F261 HydrophobicContact CD1-CE1 3.39Å; I245-F261 HydrophobicContact CD1-CE2 3.82Å; I245-F261 HydrophobicContact CD1-CG 3.87Å; I245-F261 HydrophobicContact CD1-CZ 3.48Å; I245-F261 VanDerWaalsContact CD1-CZ 3.48Å; I245-F261 HydrophobicContact CG1-CD2 4.48Å; I245-F261 HydrophobicContact CG1-CG 4.46Å; I245-F261 HydrophobicContact CG2-CB 3.96Å; I245-F261 HydrophobicContact CG2-CD1 4.44Å; I245-F261 HydrophobicContact CG2-CG 4.17Å; F251-F261 HydrophobicContact CB-CB 4.3Å; L259-F261 HydrophobicContact CD2-CD1 4.31Å; L259-F261 HydrophobicContact CG-CD1 4.31Å; F261-L263 HydrophobicContact CE2-CD2 4.02Å; F261-M266 HydrophobicContact CB-CE 4.36Å; F261-M266 HydrophobicContact CD2-CE 3.32Å; F261-M266 HydrophobicContact CE2-CE 3.88Å; F261-M266 HydrophobicContact CG-CE 4.14Å |
| 262 | D | 86.3 | Confident | 84.8 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.6 | -177.7 | -167.7 | -28.9 | 0 | 0 | 0 | 109.7 | T88 C264 T265 M266 | T88-D262 VanDerWaalsContact CB-CG 3.45Å; T88-D262 VanDerWaalsContact CB-OD1 3.3Å; T88-D262 WeakPolarHBondContact CB-OD1 3.06Å; T88-D262 WeakPolarHBondContact CB-OD2 3.45Å; T88-D262 PolarHBondContact OG1-OD2 3.08Å; D262-C264 WeakPolarHBondContact OD1-CA 3.4Å; D262-C264 VanDerWaalsContact OD1-CB 3.27Å; D262-C264 WeakPolarHBondContact OD1-CB 3.43Å; D262-C264 PolarHBondContact OD1-N 3.3Å; D262-T265 HydrophobicContact CB-CG2 3.99Å; D262-T265 PolarHBondContact O-OG1 3.01Å; D262-T265 VanDerWaalsContact O-OG1 3.13Å; D262-M266 WeakPolarHBondContact O-CE 3.49Å; D262-M266 WeakPolarHBondContact O-CG 3.26Å |
| 263 | L | 84.7 | Confident | 84.9 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.9 | -29.9 | 174.5 | -71.7 | -177.2 | 0 | 0 | 0 | 112 | L90 L225 I229 F261 T265 M266 L274 | L90-L263 HydrophobicContact CD1-CD1 3.61Å; L90-L263 HydrophobicContact CD1-CD2 4.39Å; L90-L263 HydrophobicContact CD1-CG 3.7Å; L90-L263 HydrophobicContact CG-CG 4.34Å; L225-L263 HydrophobicContact CD2-CD1 4.25Å; L225-L263 HydrophobicContact CD2-CD2 4.29Å; L225-L263 HydrophobicContact CG-CD1 4.4Å; I229-L263 HydrophobicContact CD1-CD2 4.32Å; F261-L263 HydrophobicContact CE2-CD2 4.02Å; L263-T265 PolarHBondContact O-N 3.12Å; L263-M266 HydrophobicContact CD2-CE 4.03Å; L263-M266 HydrophobicContact CD2-SD 4.05Å; L263-M266 WeakPolarHBondContact O-CB 3.46Å; L263-M266 PolarHBondContact O-N 3.19Å; L263-M266 VanDerWaalsContact O-N 3.13Å; L263-L274 HydrophobicContact CD2-CD1 3.84Å |
| 264 | C | 79.2 | Confident | 85.2 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 63% | 0.628 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.9 | -178 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | D262 | D262-C264 WeakPolarHBondContact OD1-CA 3.4Å; D262-C264 VanDerWaalsContact OD1-CB 3.27Å; D262-C264 WeakPolarHBondContact OD1-CB 3.43Å; D262-C264 PolarHBondContact OD1-N 3.3Å |
| 265 | T | 81.2 | Confident | 85.5 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.2 | 172.7 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | D262 L263 | D262-T265 HydrophobicContact CB-CG2 3.99Å; D262-T265 PolarHBondContact O-OG1 3.01Å; D262-T265 VanDerWaalsContact O-OG1 3.13Å; L263-T265 PolarHBondContact O-N 3.12Å |
| 266 | M | 83.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -90.1 | 144.4 | -179.7 | -57.4 | -164.7 | -168.2 | 0 | 0 | 112.1 | I245 A249 F261 D262 L263 V270 I271 L274 | I245-M266 HydrophobicContact CG1-CE 3.97Å; A249-M266 HydrophobicContact CB-CE 3.93Å; A249-M266 HydrophobicContact CB-CG 3.94Å; A249-M266 HydrophobicContact CB-SD 4.33Å; F261-M266 HydrophobicContact CB-CE 4.36Å; F261-M266 HydrophobicContact CD2-CE 3.32Å; F261-M266 HydrophobicContact CE2-CE 3.88Å; F261-M266 HydrophobicContact CG-CE 4.14Å; D262-M266 WeakPolarHBondContact O-CE 3.49Å; D262-M266 WeakPolarHBondContact O-CG 3.26Å; L263-M266 HydrophobicContact CD2-CE 4.03Å; L263-M266 HydrophobicContact CD2-SD 4.05Å; L263-M266 WeakPolarHBondContact O-CB 3.46Å; L263-M266 PolarHBondContact O-N 3.19Å; L263-M266 VanDerWaalsContact O-N 3.13Å; M266-V270 HydrophobicContact CB-CB 4.29Å; M266-V270 HydrophobicContact CB-CG1 4.44Å; M266-V270 HydrophobicContact SD-CG1 3.85Å; M266-I271 HydrophobicContact CB-CD1 4.31Å; M266-I271 HydrophobicContact CB-CG1 4.05Å; M266-L274 HydrophobicContact CE-CD1 4.46Å; M266-L274 HydrophobicContact SD-CD1 3.77Å |
| 267 | N | 85.6 | Confident | 86.4 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | trans | -65.5 | 143.9 | 169.1 | -177.9 | -65.7 | 0 | 0 | 0 | 110.6 | K269 V270 I271 | N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 VanDerWaalsContact O-N 3.11Å; N267-K269 VanDerWaalsContact OD1-CB 3.3Å; N267-K269 WeakPolarHBondContact OD1-CB 3.19Å; N267-K269 PolarHBondContact OD1-N 2.79Å; N267-V270 HydrophobicContact CB-CG2 4.15Å; N267-V270 WeakPolarHBondContact O-CA 3.42Å; N267-V270 VanDerWaalsContact O-CB 3.31Å; N267-V270 WeakPolarHBondContact O-CB 3.35Å; N267-V270 PolarHBondContact O-N 2.78Å; N267-I271 PolarHBondContact O-N 2.81Å | ||
| 268 | S | 83.6 | Confident | 86.6 | Confident | 41 Ų | 41 | 43 Ų | 43 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -50.8 | -35.6 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | V270 I271 Q272 | S268-V270 VanDerWaalsContact C-N 3.32Å; S268-V270 PolarHBondContact O-N 3.15Å; S268-I271 WeakPolarHBondContact O-CB 3.43Å; S268-I271 PolarHBondContact O-N 3.1Å; S268-Q272 WeakPolarHBondContact O-CG 3.34Å; S268-Q272 PolarHBondContact O-N 3.12Å |
| 269 | K | 87.5 | Confident | 86.4 | Confident | 140 Ų | 140 | 46.1 Ų | 46.1 | 61% | 0.609 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.3 | -35.2 | 174.1 | -173.3 | 172.5 | -177.1 | 171.5 | 0 | 113.2 | N267 M273 | N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 VanDerWaalsContact O-N 3.11Å; N267-K269 VanDerWaalsContact OD1-CB 3.3Å; N267-K269 WeakPolarHBondContact OD1-CB 3.19Å; N267-K269 PolarHBondContact OD1-N 2.79Å; K269-M273 WeakPolarHBondContact O-CG 3.35Å; K269-M273 PolarHBondContact O-N 3.13Å; K269-M273 VanDerWaalsContact O-N 3.07Å |
| 270 | V | 88.3 | Confident | 85.5 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 110 | L244 H248 M266 N267 S268 M273 L274 | L244-V270 HydrophobicContact CD2-CG1 3.79Å; L244-V270 HydrophobicContact CG-CG1 4.38Å; H248-V270 HydrophobicContact CB-CB 4.48Å; H248-V270 HydrophobicContact CB-CG1 3.93Å; H248-V270 HydrophobicContact CB-CG2 3.64Å; M266-V270 HydrophobicContact CB-CB 4.29Å; M266-V270 HydrophobicContact CB-CG1 4.44Å; M266-V270 HydrophobicContact SD-CG1 3.85Å; N267-V270 HydrophobicContact CB-CG2 4.15Å; N267-V270 WeakPolarHBondContact O-CA 3.42Å; N267-V270 VanDerWaalsContact O-CB 3.31Å; N267-V270 WeakPolarHBondContact O-CB 3.35Å; N267-V270 PolarHBondContact O-N 2.78Å; S268-V270 VanDerWaalsContact C-N 3.32Å; S268-V270 PolarHBondContact O-N 3.15Å; V270-M273 HydrophobicContact CB-CE 4.37Å; V270-M273 HydrophobicContact CG2-CE 4.17Å; V270-M273 WeakPolarHBondContact O-CB 3.45Å; V270-M273 PolarHBondContact O-N 2.78Å; V270-L274 WeakPolarHBondContact O-CG 3.13Å; V270-L274 PolarHBondContact O-N 3.04Å |
| 271 | I | 88 | Confident | 84 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.6 | -62.7 | 165.7 | 0 | 0 | 0 | 110.4 | M217 L222 L225 M266 N267 S268 M273 L274 E275 | M217-I271 HydrophobicContact CG-CB 4.45Å; M217-I271 HydrophobicContact CG-CD1 4.38Å; M217-I271 HydrophobicContact CG-CG2 4.01Å; M217-I271 HydrophobicContact SD-CB 4.42Å; M217-I271 HydrophobicContact SD-CG2 3.68Å; L222-I271 HydrophobicContact CD2-CD1 3.98Å; L222-I271 HydrophobicContact CD2-CG2 3.79Å; L225-I271 HydrophobicContact CD2-CG2 3.77Å; M266-I271 HydrophobicContact CB-CD1 4.31Å; M266-I271 HydrophobicContact CB-CG1 4.05Å; N267-I271 PolarHBondContact O-N 2.81Å; S268-I271 WeakPolarHBondContact O-CB 3.43Å; S268-I271 PolarHBondContact O-N 3.1Å; I271-M273 VanDerWaalsContact C-N 3.34Å; I271-M273 PolarHBondContact O-N 2.92Å; I271-L274 WeakPolarHBondContact O-CB 3.31Å; I271-L274 PolarHBondContact O-N 2.81Å; I271-E275 PolarHBondContact O-N 3.28Å |
| 272 | Q | 86.8 | Confident | 81.8 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 171.9 | -71.1 | 177.3 | -9.1 | 0 | 0 | 112.9 | C215 M217 S268 E275 S276 | C215-Q272 PolarHBondContact SG-NE2 3.19Å; M217-Q272 HydrophobicContact CE-CG 3.85Å; S268-Q272 WeakPolarHBondContact O-CG 3.34Å; S268-Q272 PolarHBondContact O-N 3.12Å; Q272-E275 PolarHBondContact O-N 3.06Å; Q272-S276 WeakPolarHBondContact O-CB 3.3Å; Q272-S276 PolarHBondContact O-N 3.36Å; Q272-S276 PolarHBondContact O-OG 2.59Å |
| 273 | M | 89.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 174.7 | -74 | -172.6 | -61 | 0 | 0 | 111.9 | L244 K269 V270 I271 S276 C277 | L244-M273 HydrophobicContact CD1-CB 3.91Å; L244-M273 HydrophobicContact CD1-CE 4.05Å; L244-M273 HydrophobicContact CD1-SD 4.08Å; L244-M273 HydrophobicContact CD2-CB 3.79Å; L244-M273 HydrophobicContact CG-CB 4.47Å; K269-M273 WeakPolarHBondContact O-CG 3.35Å; K269-M273 PolarHBondContact O-N 3.13Å; K269-M273 VanDerWaalsContact O-N 3.07Å; V270-M273 HydrophobicContact CB-CE 4.37Å; V270-M273 HydrophobicContact CG2-CE 4.17Å; V270-M273 WeakPolarHBondContact O-CB 3.45Å; V270-M273 PolarHBondContact O-N 2.78Å; I271-M273 VanDerWaalsContact C-N 3.34Å; I271-M273 PolarHBondContact O-N 2.92Å; M273-S276 WeakPolarHBondContact O-CB 3.37Å; M273-S276 PolarHBondContact O-N 2.74Å; M273-C277 PolarHBondContact O-N 3.06Å; M273-C277 VanDerWaalsContact O-N 3.14Å; M273-C277 PolarHBondContact O-SG 3.43Å |
| 274 | L | 90.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 172.8 | -72.6 | 174 | 0 | 0 | 0 | 111.6 | L225 I229 I241 L244 L263 M266 V270 I271 S276 C277 F278 | L225-L274 HydrophobicContact CD1-CB 4.07Å; L225-L274 HydrophobicContact CD2-CB 4Å; L225-L274 HydrophobicContact CD2-CD1 4.21Å; I229-L274 HydrophobicContact CD1-CD1 4.48Å; I241-L274 HydrophobicContact CB-CD2 4.4Å; I241-L274 HydrophobicContact CG1-CD2 4.29Å; I241-L274 HydrophobicContact CG2-CD2 3.87Å; L244-L274 HydrophobicContact CB-CD2 4.48Å; L244-L274 HydrophobicContact CD2-CB 4.42Å; L244-L274 HydrophobicContact CD2-CD2 3.51Å; L244-L274 HydrophobicContact CD2-CG 3.53Å; L263-L274 HydrophobicContact CD2-CD1 3.84Å; M266-L274 HydrophobicContact CE-CD1 4.46Å; M266-L274 HydrophobicContact SD-CD1 3.77Å; V270-L274 WeakPolarHBondContact O-CG 3.13Å; V270-L274 PolarHBondContact O-N 3.04Å; I271-L274 WeakPolarHBondContact O-CB 3.31Å; I271-L274 PolarHBondContact O-N 2.81Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 2.83Å; L274-C277 WeakPolarHBondContact O-CB 3.27Å; L274-C277 PolarHBondContact O-N 3.06Å; L274-C277 VanDerWaalsContact O-N 3.13Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å |
| 275 | E | 88.7 | Confident | 81.6 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 175.8 | -72.1 | -174.2 | 157.9 | 0 | 0 | 111.8 | S221 L225 I271 Q272 C277 F278 | S221-E275 PolarHBondContact OG-OE1 3.44Å; L225-E275 HydrophobicContact CD1-CG 4.01Å; L225-E275 HydrophobicContact CD2-CG 4.2Å; L225-E275 HydrophobicContact CG-CG 4.47Å; I271-E275 PolarHBondContact O-N 3.28Å; Q272-E275 PolarHBondContact O-N 3.06Å; E275-C277 VanDerWaalsContact C-N 3.26Å; E275-C277 PolarHBondContact O-N 3.07Å; E275-F278 PolarHBondContact O-N 2.99Å; E275-F278 VanDerWaalsContact O-N 3.16Å |
| 276 | S | 88.2 | Confident | 81.6 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -27 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | Q272 M273 L274 F278 Q279 | Q272-S276 WeakPolarHBondContact O-CB 3.3Å; Q272-S276 PolarHBondContact O-N 3.36Å; Q272-S276 PolarHBondContact O-OG 2.59Å; M273-S276 WeakPolarHBondContact O-CB 3.37Å; M273-S276 PolarHBondContact O-N 2.74Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 2.83Å; S276-F278 VanDerWaalsContact C-N 3.27Å; S276-F278 PolarHBondContact O-N 3.19Å; S276-Q279 PolarHBondContact O-N 3.17Å |
| 277 | C | 88.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 69 Ų | 69 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -34.5 | 174.5 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | L237 M273 L274 E275 | L237-C277 HydrophobicContact CD1-CB 3.77Å; L237-C277 WeakPolarHBondContact CD1-O 3.48Å; M273-C277 PolarHBondContact O-N 3.06Å; M273-C277 VanDerWaalsContact O-N 3.14Å; M273-C277 PolarHBondContact O-SG 3.43Å; L274-C277 WeakPolarHBondContact O-CB 3.27Å; L274-C277 PolarHBondContact O-N 3.06Å; L274-C277 VanDerWaalsContact O-N 3.13Å; E275-C277 VanDerWaalsContact C-N 3.26Å; E275-C277 PolarHBondContact O-N 3.07Å |
| 278 | F | 87.5 | Confident | 81.2 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -79 | -26.9 | -179.9 | -65.8 | -83.4 | 0 | 0 | 0 | 113.8 | L225 K228 I229 V232 L237 I241 L274 E275 S276 K280 S281 | L225-F278 HydrophobicContact CD1-CD2 4.09Å; L225-F278 HydrophobicContact CD1-CE2 3.67Å; K228-F278 HydrophobicContact CB-CD1 3.98Å; K228-F278 HydrophobicContact CB-CD2 4.35Å; K228-F278 HydrophobicContact CB-CE1 3.68Å; K228-F278 HydrophobicContact CB-CE2 4.1Å; K228-F278 HydrophobicContact CB-CG 4.31Å; K228-F278 HydrophobicContact CB-CZ 3.76Å; K228-F278 HydrophobicContact CD-CB 4.32Å; K228-F278 HydrophobicContact CD-CD1 4.34Å; K228-F278 HydrophobicContact CD-CD2 4.23Å; K228-F278 HydrophobicContact CD-CG 4.03Å; K228-F278 HydrophobicContact CG-CD1 4.43Å; K228-F278 WeakPolarHBondContact O-CE1 3.46Å; I229-F278 HydrophobicContact CG1-CE2 4.07Å; I229-F278 HydrophobicContact CG1-CZ 3.82Å; V232-F278 HydrophobicContact CG2-CE1 3.62Å; V232-F278 HydrophobicContact CG2-CZ 3.86Å; L237-F278 HydrophobicContact CD2-CD1 3.87Å; L237-F278 HydrophobicContact CD2-CE1 3.83Å; I241-F278 HydrophobicContact CD1-CE1 4.36Å; I241-F278 HydrophobicContact CD1-CE2 4.12Å; I241-F278 HydrophobicContact CD1-CZ 3.65Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å; E275-F278 PolarHBondContact O-N 2.99Å; E275-F278 VanDerWaalsContact O-N 3.16Å; S276-F278 VanDerWaalsContact C-N 3.27Å; S276-F278 PolarHBondContact O-N 3.19Å; F278-K280 VanDerWaalsContact C-N 3.26Å; F278-K280 PolarHBondContact O-N 2.85Å; F278-S281 PolarHBondContact O-N 3.06Å; F278-S281 PolarHBondContact O-OG 3.43Å |
| 279 | Q | 82.3 | Confident | 81.1 | Confident | 142 Ų | 142 | 68.6 Ų | 68.6 | 66% | 0.664 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.9 | -24.8 | 179.4 | -64 | -177.9 | 13.8 | 0 | 0 | 112.7 | S276 S281 | S276-Q279 PolarHBondContact O-N 3.17Å; Q279-S281 VanDerWaalsContact C-N 3.28Å; Q279-S281 PolarHBondContact O-N 3.45Å |
| 280 | K | 67.5 | Low | 80.6 | Confident | 171 Ų | 171 | 63.1 Ų | 63.1 | 74% | 0.743 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 11.9 | 179 | -63.4 | -175.6 | 178 | -177.8 | 0 | 113.9 | F278 | F278-K280 VanDerWaalsContact C-N 3.26Å; F278-K280 PolarHBondContact O-N 2.85Å |
| 281 | S | 56.9 | Low | 79.9 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 20.7 | -173.6 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | F278 Q279 | F278-S281 PolarHBondContact O-N 3.06Å; F278-S281 PolarHBondContact O-OG 3.43Å; Q279-S281 VanDerWaalsContact C-N 3.28Å; Q279-S281 PolarHBondContact O-N 3.45Å |
| 282 | S | 44.8 | Very low | 79.2 | Confident | 173 Ų | 173 | 73.2 Ų | 73.2 | 100% | 1.21 | 40% | 0.401 | S | S | * | . | trans | -116.6 | 0 | 165 | -67.4 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 282 of 282 residues in 864 ms
(Link to these results)