| 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 | 46.3 | Very low | 49.2 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 100% | 1.182 | 81% | 0.813 | S | S | * | * | 0 | 129.4 | 0 | -67.5 | 79.1 | 158.8 | 0 | 0 | 106 | |||||
| 2 | S | 38.6 | Very low | 48.9 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | cis | -176.5 | 156.5 | 29.9 | -158.2 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 3 | S | 44.5 | Very low | 48.5 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | cis | -172.1 | 141.6 | -0.7 | 19.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 4 | Y | 50.8 | Low | 48.3 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 86% | 0.863 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 133.9 | 168.8 | -37.3 | -96 | 0 | 0 | 0 | 109.7 | ||||
| 5 | Y | 55 | Low | 48.2 | Very low | 208 Ų | 208 | 153.9 Ų | 153.9 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -147.2 | 110.6 | 154.2 | -101.6 | -90 | 0 | 0 | 0 | 103 | ||||
| 6 | V | 55.1 | Low | 47.8 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | 47.7 | 93.2 | 55.1 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | D | 42.6 | Very low | 47.2 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -169.5 | 125.5 | 142 | -87.1 | -38.7 | 0 | 0 | 0 | 106.4 | ||||
| 8 | G | 54.3 | Low | 47.4 | Very low | 68 Ų | 68 | 145.8 Ų | 145.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | 115.1 | 52 | 28.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | L | 53.7 | Low | 46.8 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -130.1 | 53 | 173.7 | -72.9 | 178 | 0 | 0 | 0 | 112.4 | ||||
| 10 | F | 50.5 | Low | 46.8 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -119.3 | 80.4 | 150.1 | -135.8 | -86.6 | 0 | 0 | 0 | 107.7 | ||||
| 11 | N | 49.4 | Very low | 46.9 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -154.7 | 103.6 | 155.9 | -143.4 | 12 | 0 | 0 | 0 | 110.9 | ||||
| 12 | K | 46.5 | Very low | 46.4 | Very low | 199 Ų | 199 | 144.1 Ų | 144.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -151.3 | 71.3 | 146.4 | 54.2 | 169.2 | -176.5 | -84.8 | 0 | 109.4 | ||||
| 13 | Y | 43.3 | Very low | 46.7 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -83.1 | 107.6 | 147.7 | -52.7 | -78.4 | 0 | 0 | 0 | 106.1 | ||||
| 14 | T | 45.8 | Very low | 46.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -92.3 | 113.7 | 156.6 | 172.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 15 | A | 46.6 | Very low | 45.8 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -103.4 | 149.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | S | 41.9 | Very low | 45.2 | Very low | 132 Ų | 132 | 136 Ų | 136 | 92% | 0.923 | 78% | 0.784 | S | S | * | * | trans | 96.2 | 132.6 | 163.1 | -158.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 17 | G | 37.2 | Very low | 44.2 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 131.9 | 65.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 18 | S | 50.4 | Low | 44.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -57.2 | 129.9 | 162.4 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 19 | F | 37.6 | Very low | 44 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -162.8 | 102.4 | 145.6 | -140.4 | -102.6 | 0 | 0 | 0 | 110.4 | ||||
| 20 | F | 45.5 | Very low | 43.6 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -70.8 | 140.3 | 157.9 | -76.4 | -87.5 | 0 | 0 | 0 | 108.3 | ||||
| 21 | P | 49.1 | Very low | 43.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | -131.9 | 124.6 | 116.9 | 30.7 | -17.1 | 0 | 0 | 0 | 108.9 | |||||
| 22 | N | 35.1 | Very low | 43.6 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | 61.8 | 112.2 | 76.4 | -142.1 | -19.2 | 0 | 0 | 0 | 113.8 | |||||
| 23 | A | 45.3 | Very low | 43.3 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 58% | 0.579 | 78% | 0.784 | S | S | * | * | trans | 48.5 | 145.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 24 | D | 37.5 | Very low | 42.9 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 79.7 | 113.8 | 156 | -53.6 | -41.8 | 0 | 0 | 0 | 118.5 | ||||
| 25 | L | 40.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | -177.5 | 125.7 | 102.8 | -114.2 | 82.3 | 0 | 0 | 0 | 109.2 | |||||
| 26 | G | 41.8 | Very low | 42.1 | Very low | 75 Ų | 75 | 126.8 Ų | 126.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 158.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | S | 33.6 | Very low | 42.7 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -173.1 | 136.6 | 142.1 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 28 | C | 51.7 | Low | 42.8 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -71 | 148.7 | 178.1 | -52 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 29 | T | 42.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -139 | 137 | 151.1 | 38.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 30 | L | 44.7 | Very low | 42.4 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 135.5 | -172.8 | -65.7 | 140.6 | 0 | 0 | 0 | 110.1 | ||||
| 31 | V | 41.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | 66.2 | 150.5 | 101.9 | 175.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 32 | P | 57.4 | Low | 42.2 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -143.2 | 176.1 | 19.3 | 17.5 | 12.1 | 0 | 0 | 0 | 119.8 | ||||
| 33 | D | 40.8 | Very low | 42.3 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 58.2 | 137.5 | 140 | -81.2 | -81.4 | 0 | 0 | 0 | 125.7 | ||||
| 34 | G | 36 | Very low | 42.2 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 177.2 | 95.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 35 | E | 38.1 | Very low | 42.7 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -80.4 | 155.3 | -161.4 | -44.5 | -180 | 146.3 | 0 | 0 | 114.7 | ||||
| 36 | G | 37.3 | Very low | 43 | Very low | 75 Ų | 75 | 119.9 Ų | 119.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 162.6 | 116.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | P | 54.4 | Low | 43 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -104.2 | 151.5 | -163.8 | 38.3 | -32 | 0 | 0 | 0 | 114.8 | ||||
| 38 | A | 38.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -158.4 | 142.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | S | 38.1 | Very low | 44.4 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 141.1 | -161.4 | -169.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 40 | A | 41.7 | Very low | 44.6 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | trans | 31.9 | 120.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 41 | H | 47.4 | Very low | 44.8 | Very low | 192 Ų | 192 | 120.4 Ų | 120.4 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | -175 | 148.6 | 104.2 | 50.6 | -80.6 | 0 | 0 | 0 | 111.7 | |||||
| 42 | N | 43 | Very low | 45.3 | Very low | 162 Ų | 162 | 122.7 Ų | 122.7 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 143.9 | -167.6 | -83 | -59.7 | 0 | 0 | 0 | 115.2 | ||||
| 43 | A | 37.8 | Very low | 45 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 61.8 | 112.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 44 | A | 42.8 | Very low | 45.3 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | 162 | 107.7 | 99 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 45 | A | 48.4 | Very low | 45.6 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -163.7 | 145.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 46 | P | 45.4 | Very low | 45.5 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74 | 139.1 | -162.7 | 28.9 | -35.2 | 0 | 0 | 0 | 114 | F48 | P46-F48 PolarHBondContact O-N 3.38Š|
| 47 | A | 41.8 | Very low | 45.7 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 118 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 48 | F | 52.7 | Low | 44.9 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 131.2 | 157.3 | -70 | -83.5 | 0 | 0 | 0 | 108.4 | P46 | P46-F48 PolarHBondContact O-N 3.38Š|
| 49 | P | 61.9 | Low | 44.8 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 140.5 | 173.2 | 28.9 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 50 | P | 47.6 | Very low | 44.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.8 | 174.2 | 27 | -32.9 | 0 | 0 | 0 | 110.6 | L52 | P50-L52 PolarHBondContact O-N 3.1Å; P50-L52 VanDerWaalsContact O-N 3.16Å |
| 51 | S | 49.4 | Very low | 44.6 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -58 | 112.7 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | S53 | S51-S53 PolarHBondContact O-N 2.79Š| ||
| 52 | L | 51.7 | Low | 44.5 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 109.5 | 169.6 | -75.7 | 170.6 | 0 | 0 | 0 | 109.2 | P50 | P50-L52 PolarHBondContact O-N 3.1Å; P50-L52 VanDerWaalsContact O-N 3.16Å | ||
| 53 | S | 49.8 | Very low | 44.6 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -72.6 | 124.7 | 164.5 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | S51 | S51-S53 PolarHBondContact O-N 2.79Š| ||
| 54 | G | 48.2 | Very low | 44.6 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | 95.9 | 87.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 55 | L | 40.9 | Very low | 44.6 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | trans | -146.6 | 86.2 | 146 | -73.6 | -179.1 | 0 | 0 | 0 | 109.8 | ||||
| 56 | Y | 37.8 | Very low | 44.6 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -123.6 | 96.3 | 149.7 | 66.7 | -88.2 | 0 | 0 | 0 | 107.8 | ||||
| 57 | N | 39.8 | Very low | 45.3 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -113.9 | 112.5 | 161.5 | -168.1 | -0.6 | 0 | 0 | 0 | 106.3 | ||||
| 58 | V | 38.1 | Very low | 45.4 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -116.2 | 99 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 59 | N | 37.4 | Very low | 45.1 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -154.9 | 113.3 | 153.6 | -115.6 | -32.1 | 0 | 0 | 0 | 112.6 | ||||
| 60 | N | 35.3 | Very low | 44.3 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 69 | 100.3 | 138.8 | -135.9 | 24.5 | 0 | 0 | 0 | 119.8 | ||||
| 61 | A | 38.4 | Very low | 44.6 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -115.5 | 85.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 62 | I | 46.1 | Very low | 43.9 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -122 | 126.1 | 162.2 | -60.2 | 179.9 | 0 | 0 | 0 | 105.1 | ||||
| 63 | Y | 44.9 | Very low | 43.5 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 82.2 | 95.2 | -171.7 | -61.2 | -82.3 | 0 | 0 | 0 | 116.3 | ||||
| 64 | Q | 38.9 | Very low | 42.9 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | -166.9 | 126 | 91.8 | -120.6 | 165.5 | 51.1 | 0 | 0 | 111.6 | |||||
| 65 | S | 42 | Very low | 42.7 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -88.5 | 142.8 | 175 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 66 | H | 47.7 | Very low | 42.6 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 95.6 | 147.6 | 153.9 | -66.7 | -57.7 | 0 | 0 | 0 | 120.1 | ||||
| 67 | P | 60.1 | Low | 43.3 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 151.2 | -138.7 | 39.1 | -30.5 | 0 | 0 | 0 | 112.2 | ||||
| 68 | M | 43.8 | Very low | 43.5 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | trans | -126.6 | 84.8 | 165.9 | -72.1 | -75.7 | -136.4 | 0 | 0 | 108.4 | ||||
| 69 | F | 47.7 | Very low | 43.7 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 130.9 | 157.6 | -133.7 | -88.4 | 0 | 0 | 0 | 107.9 | ||||
| 70 | S | 45.2 | Very low | 44.2 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 175.7 | 157.6 | 135.2 | -97.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 71 | P | 54.1 | Low | 44.7 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -124.7 | 168 | -118.8 | 33.7 | -15.2 | 0 | 0 | 0 | 113.8 | |||||
| 72 | G | 33.2 | Very low | 45.4 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -156.1 | 82.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 73 | Y | 44.3 | Very low | 45.1 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | trans | 42.6 | 122.2 | 153.1 | -68.8 | -89.3 | 0 | 0 | 0 | 121.6 | ||||
| 74 | G | 37.5 | Very low | 44.9 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 140.8 | 88.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 75 | Q | 43.3 | Very low | 45.1 | Very low | 206 Ų | 206 | 142 Ų | 142 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | trans | 54.2 | 123.6 | 145.8 | -62.4 | -174.4 | 42.6 | 0 | 0 | 121.8 | ||||
| 76 | G | 38.5 | Very low | 45.1 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 129.9 | 126.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 77 | P | 52 | Low | 44.8 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -83.1 | 167.3 | -176.8 | 35.7 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 78 | D | 45 | Very low | 44 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | 91.7 | 79.3 | 168.9 | -51.3 | -25.8 | 0 | 0 | 0 | 117.7 | R80 | D78-R80 PolarHBondContact O-N 3.25Å; D78-R80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | I | 42.8 | Very low | 43.9 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -65.8 | 100.9 | 160.3 | -63.8 | 179.5 | 0 | 0 | 0 | 108.7 | ||||
| 80 | R | 48 | Very low | 43.8 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -84.6 | 112.7 | 164.7 | -74.1 | -170.6 | 170.4 | -152.5 | -2 | 110.3 | D78 L82 | D78-R80 PolarHBondContact O-N 3.25Å; D78-R80 VanDerWaalsContact O-N 3.09Å; R80-L82 PolarHBondContact O-N 3.29Å | ||
| 81 | S | 45.5 | Very low | 43.8 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -40.9 | 118.5 | 164.8 | -169 | 0 | 0 | 0 | 0 | 112.4 | H83 | S81-H83 PolarHBondContact O-N 3.34Š| ||
| 82 | L | 52.9 | Low | 43.4 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -81.7 | 104.7 | 173.4 | -74.9 | 168.9 | 0 | 0 | 0 | 109.7 | R80 | R80-L82 PolarHBondContact O-N 3.29Š| ||
| 83 | H | 40.6 | Very low | 43.6 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 115.8 | 173.7 | 176.7 | -102.3 | 0 | 0 | 0 | 110.7 | S81 S85 | S81-H83 PolarHBondContact O-N 3.34Å; H83-S85 PolarHBondContact O-N 3.21Å | ||
| 84 | C | 40.1 | Very low | 43.2 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -81.6 | 106.9 | 165.5 | -164.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 85 | S | 43.5 | Very low | 43.1 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 131.8 | -173.3 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | H83 F87 | H83-S85 PolarHBondContact O-N 3.21Å; S85-F87 PolarHBondContact O-N 2.95Å |
| 86 | S | 41.8 | Very low | 43 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 119.6 | 163 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 87 | F | 41.7 | Very low | 43 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 128.1 | 168.2 | -170.2 | -100.7 | 0 | 0 | 0 | 109.1 | S85 | S85-F87 PolarHBondContact O-N 2.95Š|
| 88 | D | 42.9 | Very low | 42.5 | Very low | 111 Ų | 111 | 147 Ų | 147 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.3 | -174.6 | -143 | -55.3 | 0 | 0 | 0 | 113.1 | S90 | D88-S90 WeakPolarHBondContact OD1-CB 3.24Å; D88-S90 PolarHBondContact OD1-N 2.88Å; D88-S90 VanDerWaalsContact OD1-N 3.15Å; D88-S90 PolarHBondContact OD1-OG 3.47Å |
| 89 | Q | 40.5 | Very low | 42.4 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -134.7 | 73.1 | 158.5 | -167.8 | 165.1 | 84 | 0 | 0 | 108.6 | ||||
| 90 | S | 45.9 | Very low | 43.1 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | trans | -98.9 | 136.9 | 164.5 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | D88 | D88-S90 WeakPolarHBondContact OD1-CB 3.24Å; D88-S90 PolarHBondContact OD1-N 2.88Å; D88-S90 VanDerWaalsContact OD1-N 3.15Å; D88-S90 PolarHBondContact OD1-OG 3.47Å | ||
| 91 | R | 45.8 | Very low | 42.6 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 91.4 | 122.9 | 166.7 | -47 | -167.8 | -178.7 | -148.5 | -0.4 | 114.4 | ||||
| 92 | L | 44.8 | Very low | 42.7 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | cis | -156.9 | 160.8 | 48.8 | -72 | 158.6 | 0 | 0 | 0 | 113.1 | ||||
| 93 | F | 38.7 | Very low | 42.3 | Very low | 202 Ų | 202 | 139 Ų | 139 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | 80.3 | 127.7 | 170.3 | -47 | -75.3 | 0 | 0 | 0 | 116 | ||||
| 94 | G | 35.6 | Very low | 42.9 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | cis | -171.6 | 174.2 | 8.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | D | 34.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -59 | 145.2 | -156.9 | -62 | -72.6 | 0 | 0 | 0 | 120.4 | ||||
| 96 | S | 41 | Very low | 43.1 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 44.6 | 118.9 | 137.7 | -156.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 97 | C | 39 | Very low | 43.4 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | 177.5 | 137.7 | 106.6 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 98 | V | 41.6 | Very low | 43.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 83.5 | 96.6 | 156.8 | -160.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 99 | Q | 44.4 | Very low | 44.5 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 33.5 | 160.6 | 117.5 | -82 | -86.8 | 42.8 | 0 | 0 | 122.2 | |||||
| 100 | P | 55.9 | Low | 45.5 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | -111.2 | 160.1 | -115.2 | 41.8 | -29 | 0 | 0 | 0 | 115 | |||||
| 101 | G | 37.8 | Very low | 46.2 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -142.9 | 146.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 102 | P | 46.8 | Very low | 47.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 148.2 | -153.2 | 31.8 | -34.2 | 0 | 0 | 0 | 114.4 | T104 | P102-T104 PolarHBondContact O-N 2.87Å; P102-T104 VanDerWaalsContact O-N 3.13Å | ||
| 103 | L | 46.3 | Very low | 48.7 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -49.5 | 107.4 | 168.4 | -85.4 | 118.7 | 0 | 0 | 0 | 112.2 | ||||
| 104 | T | 52.3 | Low | 50.6 | Low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -150.4 | 91.2 | 142.3 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | P102 | P102-T104 PolarHBondContact O-N 2.87Å; P102-T104 VanDerWaalsContact O-N 3.13Å | ||
| 105 | S | 38.8 | Very low | 52.4 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -124.2 | 110 | 165.6 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 106 | P | 48.5 | Very low | 54.5 | Low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -67.4 | 136.2 | 163.7 | -8 | 24.5 | 0 | 0 | 0 | 108.6 | D108 | P106-D108 VanDerWaalsContact C-N 3.3Å; P106-D108 PolarHBondContact O-N 3.43Å | ||
| 107 | E | 49 | Very low | 56.2 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -75.8 | 72.4 | -175.5 | -164 | -170 | 157.3 | 0 | 0 | 111.1 | K109 | E107-K109 WeakPolarHBondContact OE1-CE 3.44Å; E107-K109 IonicContact OE1-NZ 2.65Å; E107-K109 PolarHBondContact OE1-NZ 2.79Å | ||
| 108 | D | 51.3 | Low | 58 | Low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -95.6 | 103.6 | 166.5 | -85.5 | -37 | 0 | 0 | 0 | 109.5 | P106 H110 | P106-D108 VanDerWaalsContact C-N 3.3Å; P106-D108 PolarHBondContact O-N 3.43Å; D108-H110 PolarHBondContact O-N 2.79Å | ||
| 109 | K | 56.2 | Low | 59.3 | Low | 156 Ų | 156 | 137.7 Ų | 137.7 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -68.2 | 58.5 | 170.2 | -67.3 | 170 | -175 | 154.8 | 0 | 110.3 | E107 Y111 | E107-K109 WeakPolarHBondContact OE1-CE 3.44Å; E107-K109 IonicContact OE1-NZ 2.65Å; E107-K109 PolarHBondContact OE1-NZ 2.79Å; K109-Y111 VanDerWaalsContact C-N 3.26Å; K109-Y111 WeakPolarHBondContact O-CD2 3.37Å; K109-Y111 PolarHBondContact O-N 2.65Å | ||
| 110 | H | 61.5 | Low | 60.4 | Low | 169 Ų | 169 | 133.2 Ų | 133.2 | 78% | 0.782 | 70% | 0.701 | S | S | * | * | trans | -70.8 | 91.1 | 170.1 | -143.2 | 123.8 | 0 | 0 | 0 | 106.2 | D108 R112 | D108-H110 PolarHBondContact O-N 2.79Å; H110-R112 PolarHBondContact O-N 3.07Å; H110-R112 VanDerWaalsContact O-N 3.07Å | ||
| 111 | Y | 60.7 | Low | 61 | Low | 177 Ų | 177 | 132.5 Ų | 132.5 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | trans | -40.7 | 123.6 | 166.6 | -68.1 | -90.2 | 0 | 0 | 0 | 107.3 | K109 M113 | K109-Y111 VanDerWaalsContact C-N 3.26Å; K109-Y111 WeakPolarHBondContact O-CD2 3.37Å; K109-Y111 PolarHBondContact O-N 2.65Å; Y111-M113 HydrophobicContact CG-CE 4.38Å; Y111-M113 PolarHBondContact O-N 2.78Å | ||
| 112 | R | 71.4 | Confident | 62.1 | Low | 208 Ų | 208 | 134.8 Ų | 134.8 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -61.8 | 79.5 | 171 | -84.9 | -172.5 | 174.9 | -156.7 | 0.7 | 107.5 | H110 Y114 | H110-R112 PolarHBondContact O-N 3.07Å; H110-R112 VanDerWaalsContact O-N 3.07Å; R112-Y114 VanDerWaalsContact C-N 3.28Å; R112-Y114 HydrophobicContact CB-CE2 4.26Å; R112-Y114 WeakPolarHBondContact O-CD2 3.33Å; R112-Y114 WeakPolarHBondContact O-CE2 3.46Å; R112-Y114 PolarHBondContact O-N 3.31Å | ||
| 113 | M | 71 | Confident | 62.8 | Low | 99 Ų | 99 | 136.3 Ų | 136.3 | 49% | 0.488 | 69% | 0.694 | S | S | . | * | trans | -74.7 | 93.9 | 173 | -75.2 | -65.2 | 169.4 | 0 | 0 | 105.6 | Y111 M117 K118 | Y111-M113 HydrophobicContact CG-CE 4.38Å; Y111-M113 PolarHBondContact O-N 2.78Å; M113-M117 HydrophobicContact SD-CB 4.11Å; M113-K118 HydrophobicContact CB-CG 4.47Å; M113-K118 WeakPolarHBondContact O-CE 3.35Å | ||
| 114 | Y | 78.5 | Confident | 63.5 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | trans | -56 | 147.1 | 176.4 | -64.7 | -93.2 | 0 | 0 | 0 | 108.9 | R112 W116 M117 K118 | R112-Y114 VanDerWaalsContact C-N 3.28Å; R112-Y114 HydrophobicContact CB-CE2 4.26Å; R112-Y114 WeakPolarHBondContact O-CD2 3.33Å; R112-Y114 WeakPolarHBondContact O-CE2 3.46Å; R112-Y114 PolarHBondContact O-N 3.31Å; Y114-W116 VanDerWaalsContact CB-CD1 3.46Å; Y114-W116 HydrophobicContact CD2-CZ2 4.45Å; Y114-W116 AromaticContact CG-NE1 3.66Å; Y114-W116 PolarHBondContact O-N 3.08Å; Y114-M117 HydrophobicContact CD2-CE 3.36Å; Y114-M117 HydrophobicContact CE2-CE 4.16Å; Y114-M117 HydrophobicContact CG-CE 4.24Å; Y114-M117 WeakPolarHBondContact O-CA 3.39Å; Y114-M117 WeakPolarHBondContact O-CB 3.47Å; Y114-M117 PolarHBondContact O-N 3.36Å; Y114-K118 PolarHBondContact O-N 3.01Å | ||
| 115 | P | 74.4 | Confident | 64.1 | Low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -26.3 | -174.2 | -29.2 | 35.6 | 0 | 0 | 0 | 115 | ||
| 116 | W | 77.6 | Confident | 65.7 | Low | 199 Ų | 199 | 144.8 Ų | 144.8 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -21.1 | 175.2 | 62.1 | -96.8 | 0 | 0 | 0 | 114.5 | Y114 | Y114-W116 VanDerWaalsContact CB-CD1 3.46Å; Y114-W116 HydrophobicContact CD2-CZ2 4.45Å; Y114-W116 AromaticContact CG-NE1 3.66Å; Y114-W116 PolarHBondContact O-N 3.08Å |
| 117 | M | 77.7 | Confident | 67.2 | Low | 75 Ų | 75 | 142.8 Ų | 142.8 | 37% | 0.369 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -12.2 | 174.9 | -76.8 | -161.2 | -79.6 | 0 | 0 | 113.7 | M113 Y114 T119 | M113-M117 HydrophobicContact SD-CB 4.11Å; Y114-M117 HydrophobicContact CD2-CE 3.36Å; Y114-M117 HydrophobicContact CE2-CE 4.16Å; Y114-M117 HydrophobicContact CG-CE 4.24Å; Y114-M117 WeakPolarHBondContact O-CA 3.39Å; Y114-M117 WeakPolarHBondContact O-CB 3.47Å; Y114-M117 PolarHBondContact O-N 3.36Å; M117-T119 PolarHBondContact O-N 3.4Å |
| 118 | K | 76 | Confident | 69 | Low | 129 Ų | 129 | 147.2 Ų | 147.2 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -66.8 | 107.1 | 172.5 | -63.4 | -174.8 | -179.1 | -173.2 | 0 | 106.9 | M113 Y114 S120 | M113-K118 HydrophobicContact CB-CG 4.47Å; M113-K118 WeakPolarHBondContact O-CE 3.35Å; Y114-K118 PolarHBondContact O-N 3.01Å; K118-S120 PolarHBondContact O-N 3.09Å |
| 119 | T | 69.7 | Low | 71 | Confident | 136 Ų | 136 | 147.9 Ų | 147.9 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | trans | -56.1 | 98 | 165.6 | 49.6 | 0 | 0 | 0 | 0 | 105.9 | M117 D121 | M117-T119 PolarHBondContact O-N 3.4Å; T119-D121 PolarHBondContact O-N 3.41Å | ||
| 120 | S | 67.3 | Low | 72.8 | Confident | 81 Ų | 81 | 145.6 Ų | 145.6 | 57% | 0.566 | 69% | 0.693 | S | S | * | * | trans | -50.6 | 140.7 | 174.5 | -54 | 0 | 0 | 0 | 0 | 106.9 | K118 | K118-S120 PolarHBondContact O-N 3.09Š| ||
| 121 | D | 67.7 | Low | 74.5 | Confident | 101 Ų | 101 | 140.9 Ų | 140.9 | 54% | 0.54 | 67% | 0.669 | S | S | . | * | trans | -34.3 | 140.8 | -174 | -57.8 | -70.6 | 0 | 0 | 0 | 111.4 | T119 N123 R124 | T119-D121 PolarHBondContact O-N 3.41Å; D121-N123 PolarHBondContact O-N 3.08Å; D121-R124 HydrophobicContact CB-CB 4.32Å; D121-R124 HydrophobicContact CB-CG 4.3Å; D121-R124 WeakPolarHBondContact O-CA 3.45Å; D121-R124 PolarHBondContact O-N 3.39Å | ||
| 122 | P | 62.3 | Low | 76.3 | Confident | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -18.1 | 179 | 19.6 | -30.9 | 0 | 0 | 0 | 113.2 | ||
| 123 | N | 60 | Low | 77.6 | Confident | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.9 | 174.2 | -157.8 | 25.8 | 0 | 0 | 0 | 115.7 | D121 | D121-N123 PolarHBondContact O-N 3.08Š|
| 124 | R | 62.4 | Low | 78.9 | Confident | 187 Ų | 187 | 136.3 Ų | 136.3 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -103.7 | 10.9 | 178.6 | -76 | -173.8 | 151.2 | -129.3 | -2.8 | 113.8 | D121 R126 | D121-R124 HydrophobicContact CB-CB 4.32Å; D121-R124 HydrophobicContact CB-CG 4.3Å; D121-R124 WeakPolarHBondContact O-CA 3.45Å; D121-R124 PolarHBondContact O-N 3.39Å; R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 3.36Å | ||
| 125 | K | 64.8 | Low | 79.9 | Confident | 170 Ų | 170 | 132.7 Ų | 132.7 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | trans | -60.4 | 96.3 | 166.8 | -79.7 | 172.9 | 174 | 174.1 | 0 | 108.3 | G127 | K125-G127 VanDerWaalsContact C-N 3.28Å; K125-G127 PolarHBondContact O-N 2.97Å | ||
| 126 | R | 71.9 | Confident | 81 | Confident | 249 Ų | 249 | 129.3 Ų | 129.3 | 94% | 0.94 | 62% | 0.62 | S | S | * | * | trans | -59.7 | 96.6 | 170.2 | -122.2 | 161.4 | 179.2 | 175.7 | -1.7 | 106.8 | R124 R128 | R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 3.36Å; R126-R128 PolarHBondContact O-N 3.49Å | ||
| 127 | G | 79.5 | Confident | 82 | Confident | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 136.5 | 180 | 0 | 0 | 0 | 0 | 0 | 109.3 | K125 Q129 | K125-G127 VanDerWaalsContact C-N 3.28Å; K125-G127 PolarHBondContact O-N 2.97Å; G127-Q129 PolarHBondContact O-N 3.19Å; G127-Q129 VanDerWaalsContact O-N 3.16Å |
| 128 | R | 87.4 | Confident | 83 | Confident | 243 Ų | 243 | 122.1 Ų | 122.1 | 92% | 0.917 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 117.2 | 171.4 | -72.9 | -179.4 | 177.9 | -85.8 | 0.9 | 107.4 | R126 T130 | R126-R128 PolarHBondContact O-N 3.49Å; R128-T130 PolarHBondContact O-N 3.07Å |
| 129 | Q | 92.1 | Very high | 84.1 | Confident | 157 Ų | 157 | 116 Ų | 116 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.9 | 168.1 | -174.9 | 60.3 | 42.2 | 0 | 0 | 108.7 | G127 | G127-Q129 PolarHBondContact O-N 3.19Å; G127-Q129 VanDerWaalsContact O-N 3.16Å |
| 130 | T | 95.3 | Very high | 85.4 | Confident | 109 Ų | 109 | 112.6 Ų | 112.6 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 145.6 | 170.4 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | R128 | R128-T130 PolarHBondContact O-N 3.07Š|
| 131 | Y | 97.8 | Very high | 86.9 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 27% | 0.271 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 146.3 | 171.9 | -59.1 | -55.8 | 0 | 0 | 0 | 109.7 | M139 L163 W171 | Y131-M139 HydrophobicContact CD2-CE 4.07Å; Y131-M139 HydrophobicContact CG-CE 4.24Å; Y131-L163 HydrophobicContact CD1-CD1 3.94Å; Y131-L163 HydrophobicContact CD1-CD2 3.95Å; Y131-L163 HydrophobicContact CE1-CD1 3.94Å; Y131-L163 HydrophobicContact CE1-CD2 3.82Å; Y131-W171 AromaticContact CD2-CD1 3.89Å; Y131-W171 AromaticContact CE2-CD1 3.74Å |
| 132 | S | 98.4 | Very high | 88.4 | Confident | 67 Ų | 67 | 110.4 Ų | 110.4 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62 | 158.5 | 172 | 172.4 | 0 | 0 | 0 | 0 | 111 | Y134 Q135 T136 | S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.09Å; S132-Y134 PolarHBondContact OG-N 3.03Å; S132-Q135 PolarHBondContact O-N 2.83Å; S132-T136 PolarHBondContact O-N 3.46Å; S132-T136 PolarHBondContact O-OG1 3.4Å; S132-T136 VanDerWaalsContact O-OG1 3.08Å |
| 133 | R | 98.1 | Very high | 90.1 | Very high | 199 Ų | 199 | 104.8 Ų | 104.8 | 75% | 0.751 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.3 | -45.9 | 173.1 | -174.6 | 173.6 | -176.8 | -103.1 | 0.2 | 111.2 | Q135 T136 L137 | R133-Q135 PolarHBondContact O-N 3.26Å; R133-T136 PolarHBondContact O-N 3.02Å; R133-L137 HydrophobicContact CG-CD1 4.05Å; R133-L137 HydrophobicContact CG-CG 4.45Å; R133-L137 WeakPolarHBondContact O-CG 3.33Å; R133-L137 PolarHBondContact O-N 3.41Å |
| 134 | Y | 98.3 | Very high | 91.9 | Very high | 123 Ų | 123 | 102.7 Ų | 102.7 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 178 | 173.2 | -106.2 | 0 | 0 | 0 | 112.1 | S132 T136 L137 E138 L161 | S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.09Å; S132-Y134 PolarHBondContact OG-N 3.03Å; Y134-T136 VanDerWaalsContact C-N 3.31Å; Y134-T136 PolarHBondContact O-N 3.42Å; Y134-L137 PolarHBondContact O-N 3.46Å; Y134-E138 HydrophobicContact CD2-CG 4.3Å; Y134-E138 HydrophobicContact CE1-CG 4.34Å; Y134-E138 HydrophobicContact CE2-CG 3.77Å; Y134-E138 PolarHBondContact O-N 2.97Å; Y134-L161 HydrophobicContact CD1-CD2 4.11Å; Y134-L161 HydrophobicContact CE1-CD2 3.64Å |
| 135 | Q | 98.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 102 Ų | 102 | 17% | 0.168 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 178.6 | -68.1 | 175 | -37 | 0 | 0 | 111.8 | S132 R133 M139 L161 L163 | S132-Q135 PolarHBondContact O-N 2.83Å; R133-Q135 PolarHBondContact O-N 3.26Å; Q135-M139 HydrophobicContact CB-CE 4.48Å; Q135-M139 VanDerWaalsContact O-CE 3.32Å; Q135-M139 WeakPolarHBondContact O-CE 3.16Å; Q135-M139 VanDerWaalsContact O-CG 3.32Å; Q135-M139 WeakPolarHBondContact O-CG 3.45Å; Q135-M139 PolarHBondContact O-N 3Å; Q135-M139 VanDerWaalsContact O-N 3.14Å; Q135-L161 HydrophobicContact CG-CB 4.33Å; Q135-L161 HydrophobicContact CG-CD2 4.48Å; Q135-L161 PolarHBondContact NE2-O 2.95Å; Q135-L163 HydrophobicContact CB-CD1 4.48Å |
| 136 | T | 98.4 | Very high | 95.1 | Very high | 40 Ų | 40 | 97.1 Ų | 97.1 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | S132 R133 Y134 M139 E140 W171 | S132-T136 PolarHBondContact O-N 3.46Å; S132-T136 PolarHBondContact O-OG1 3.4Å; S132-T136 VanDerWaalsContact O-OG1 3.08Å; R133-T136 PolarHBondContact O-N 3.02Å; Y134-T136 VanDerWaalsContact C-N 3.31Å; Y134-T136 PolarHBondContact O-N 3.42Å; T136-M139 PolarHBondContact O-N 3.13Å; T136-E140 HydrophobicContact CG2-CG 4.44Å; T136-E140 WeakPolarHBondContact O-CB 3.45Å; T136-E140 WeakPolarHBondContact O-CG 3.25Å; T136-E140 PolarHBondContact O-N 3.32Å; T136-W171 HydrophobicContact CG2-CZ2 4.42Å |
| 137 | L | 98.3 | Very high | 96.3 | Very high | 76 Ų | 76 | 88.9 Ų | 88.9 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 179.7 | -71.7 | 174 | 0 | 0 | 0 | 112.5 | R133 Y134 E140 K141 | R133-L137 HydrophobicContact CG-CD1 4.05Å; R133-L137 HydrophobicContact CG-CG 4.45Å; R133-L137 WeakPolarHBondContact O-CG 3.33Å; R133-L137 PolarHBondContact O-N 3.41Å; Y134-L137 PolarHBondContact O-N 3.46Å; L137-E140 PolarHBondContact O-N 2.9Å; L137-K141 WeakPolarHBondContact O-CB 3.45Å; L137-K141 PolarHBondContact O-N 3.3Å |
| 138 | E | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 92.7 Ų | 92.7 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.4 | -73.5 | -58 | 128.5 | 0 | 0 | 111.9 | Y134 E140 K141 E142 L161 | Y134-E138 HydrophobicContact CD2-CG 4.3Å; Y134-E138 HydrophobicContact CE1-CG 4.34Å; Y134-E138 HydrophobicContact CE2-CG 3.77Å; Y134-E138 PolarHBondContact O-N 2.97Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 2.96Å; E138-K141 PolarHBondContact O-N 3.42Å; E138-K141 IonicContact OE2-NZ 3.33Å; E138-E142 WeakPolarHBondContact O-CG 3.39Å; E138-E142 PolarHBondContact O-N 2.89Å; E138-L161 HydrophobicContact CB-CD1 4.03Å; E138-L161 HydrophobicContact CB-CD2 3.68Å; E138-L161 HydrophobicContact CB-CG 4.36Å; E138-L161 HydrophobicContact CG-CD2 3.9Å |
| 139 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 173.9 | -70 | -174.6 | -68.8 | 0 | 0 | 112.3 | Y131 Q135 T136 F143 L161 L163 I168 W171 F172 | Y131-M139 HydrophobicContact CD2-CE 4.07Å; Y131-M139 HydrophobicContact CG-CE 4.24Å; Q135-M139 HydrophobicContact CB-CE 4.48Å; Q135-M139 VanDerWaalsContact O-CE 3.32Å; Q135-M139 WeakPolarHBondContact O-CE 3.16Å; Q135-M139 VanDerWaalsContact O-CG 3.32Å; Q135-M139 WeakPolarHBondContact O-CG 3.45Å; Q135-M139 PolarHBondContact O-N 3Å; Q135-M139 VanDerWaalsContact O-N 3.14Å; T136-M139 PolarHBondContact O-N 3.13Å; M139-F143 WeakPolarHBondContact O-CB 3.4Å; M139-F143 PolarHBondContact O-N 3.44Å; M139-L161 HydrophobicContact CG-CD1 3.62Å; M139-L163 HydrophobicContact CE-CD1 4.47Å; M139-L163 HydrophobicContact SD-CD1 4.32Å; M139-I168 HydrophobicContact CG-CD1 4.28Å; M139-I168 HydrophobicContact SD-CD1 3.87Å; M139-W171 HydrophobicContact CB-CD2 3.92Å; M139-W171 HydrophobicContact CB-CE3 3.75Å; M139-W171 HydrophobicContact CB-CH2 3.67Å; M139-W171 HydrophobicContact CB-CZ2 3.83Å; M139-W171 HydrophobicContact CB-CZ3 3.63Å; M139-W171 VanDerWaalsContact CE-CD1 3.43Å; M139-W171 HydrophobicContact CE-CD2 3.94Å; M139-W171 HydrophobicContact CE-CG 3.76Å; M139-W171 HydrophobicContact CE-CZ2 4.5Å; M139-W171 HydrophobicContact CG-CD2 4.36Å; M139-W171 HydrophobicContact CG-CE3 4.39Å; M139-W171 WeakPolarHBondContact O-CZ3 3.37Å; M139-W171 HydrophobicContact SD-CB 3.84Å; M139-W171 HydrophobicContact SD-CD2 3.61Å; M139-W171 HydrophobicContact SD-CE3 4.1Å; M139-W171 HydrophobicContact SD-CG 3.47Å; M139-F172 HydrophobicContact CB-CE2 4.47Å |
| 140 | E | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 78.8 Ų | 78.8 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.2 | -76.7 | -177.5 | 172.7 | 0 | 0 | 112 | T136 L137 E138 E142 F143 H144 W171 | T136-E140 HydrophobicContact CG2-CG 4.44Å; T136-E140 WeakPolarHBondContact O-CB 3.45Å; T136-E140 WeakPolarHBondContact O-CG 3.25Å; T136-E140 PolarHBondContact O-N 3.32Å; L137-E140 PolarHBondContact O-N 2.9Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 2.96Å; E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 2.97Å; E140-F143 WeakPolarHBondContact O-CB 3.43Å; E140-F143 PolarHBondContact O-N 3.13Å; E140-F143 VanDerWaalsContact O-N 3.13Å; E140-H144 PolarHBondContact O-N 3.07Å; E140-H144 PolarHBondContact O-ND1 3.43Å; E140-W171 HydrophobicContact CB-CH2 4.45Å; E140-W171 HydrophobicContact CG-CH2 3.72Å; E140-W171 HydrophobicContact CG-CZ2 3.85Å |
| 141 | K | 98.3 | Very high | 98.2 | Very high | 123 Ų | 123 | 80.1 Ų | 80.1 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.3 | -50.1 | 174.4 | 175.6 | -174.3 | 168.7 | -167.2 | 0 | 111 | L137 E138 F143 H144 F145 | L137-K141 WeakPolarHBondContact O-CB 3.45Å; L137-K141 PolarHBondContact O-N 3.3Å; E138-K141 PolarHBondContact O-N 3.42Å; E138-K141 IonicContact OE2-NZ 3.33Å; K141-F143 VanDerWaalsContact C-N 3.31Å; K141-F143 PolarHBondContact O-N 2.92Å; K141-H144 PolarHBondContact O-N 2.8Å; K141-F145 PolarHBondContact O-N 3.25Å; K141-F145 VanDerWaalsContact O-N 3.17Å |
| 142 | E | 98.2 | Very high | 98.2 | Very high | 12 Ų | 12 | 85.9 Ų | 85.9 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 177.5 | -70.9 | -63.5 | 134.8 | 0 | 0 | 112.8 | E138 E140 H144 F145 N146 R153 I157 F172 | E138-E142 WeakPolarHBondContact O-CG 3.39Å; E138-E142 PolarHBondContact O-N 2.89Å; E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 2.97Å; E142-H144 VanDerWaalsContact C-N 3.32Å; E142-H144 PolarHBondContact O-N 3.3Å; E142-F145 PolarHBondContact O-N 3.44Å; E142-N146 PolarHBondContact O-N 2.92Å; E142-N146 VanDerWaalsContact O-O 3.12Å; E142-R153 IonicContact OE1-CZ 3.23Å; E142-R153 IonicContact OE1-NE 3.6Å; E142-R153 IonicContact OE1-NH2 2.86Å; E142-R153 PolarHBondContact OE1-NH2 3.24Å; E142-R153 IonicContact OE2-CZ 2.79Å; E142-R153 IonicContact OE2-NE 3.64Å; E142-R153 PolarHBondContact OE2-NE 3.04Å; E142-R153 IonicContact OE2-NH2 2.79Å; E142-R153 PolarHBondContact OE2-NH2 3.46Å; E142-R153 VanDerWaalsContact OE2-NH2 3.07Å; E142-I157 HydrophobicContact CB-CD1 3.89Å; E142-I157 HydrophobicContact CG-CD1 3.55Å; E142-I157 HydrophobicContact CG-CG1 3.97Å; E142-F172 HydrophobicContact CB-CZ 4Å |
| 143 | F | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 86.8 Ų | 86.8 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 176 | -176.3 | -101.1 | 0 | 0 | 0 | 112.4 | M139 E140 K141 N146 R147 W171 F172 R175 R176 W179 | M139-F143 WeakPolarHBondContact O-CB 3.4Å; M139-F143 PolarHBondContact O-N 3.44Å; E140-F143 WeakPolarHBondContact O-CB 3.43Å; E140-F143 PolarHBondContact O-N 3.13Å; E140-F143 VanDerWaalsContact O-N 3.13Å; K141-F143 VanDerWaalsContact C-N 3.31Å; K141-F143 PolarHBondContact O-N 2.92Å; F143-N146 CarbonylContact O-C 3.28Å; F143-N146 VanDerWaalsContact O-C 3.28Å; F143-R147 HydrophobicContact CE2-CB 4.13Å; F143-R147 HydrophobicContact CZ-CB 4.44Å; F143-R147 HydrophobicContact CZ-CG 4.41Å; F143-R147 WeakPolarHBondContact O-CD 3.28Å; F143-R147 PolarHBondContact O-N 3.04Å; F143-R147 PolarHBondContact O-NE 3.4Å; F143-W171 HydrophobicContact CB-CZ3 4.29Å; F143-F172 HydrophobicContact CB-CE1 4.11Å; F143-F172 HydrophobicContact CB-CZ 4.26Å; F143-F172 AromaticContact CD2-CD1 3.99Å; F143-F172 HydrophobicContact CD2-CD1 3.99Å; F143-F172 AromaticContact CD2-CE1 3.92Å; F143-F172 HydrophobicContact CD2-CE1 3.92Å; F143-R175 HydrophobicContact CB-CG 4.49Å; F143-R175 HydrophobicContact CD1-CG 3.8Å; F143-R175 HydrophobicContact CD2-CB 4.29Å; F143-R175 HydrophobicContact CD2-CG 3.67Å; F143-R175 HydrophobicContact CE1-CG 3.82Å; F143-R175 HydrophobicContact CE2-CB 4.22Å; F143-R175 HydrophobicContact CE2-CG 3.71Å; F143-R175 HydrophobicContact CG-CG 3.71Å; F143-R175 HydrophobicContact CZ-CG 3.77Å; F143-R176 HydrophobicContact CE2-CG 3.69Å; F143-R176 HydrophobicContact CZ-CG 4.26Å; F143-W179 HydrophobicContact CE1-CB 4.28Å; F143-W179 HydrophobicContact CE1-CG 4.28Å; F143-W179 HydrophobicContact CZ-CB 3.96Å; F143-W179 HydrophobicContact CZ-CG 4.13Å |
| 144 | H | 97.8 | Very high | 98.2 | Very high | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 175.6 | -68.9 | 89 | 0 | 0 | 0 | 111.6 | E140 K141 E142 | E140-H144 PolarHBondContact O-N 3.07Å; E140-H144 PolarHBondContact O-ND1 3.43Å; K141-H144 PolarHBondContact O-N 2.8Å; E142-H144 VanDerWaalsContact C-N 3.32Å; E142-H144 PolarHBondContact O-N 3.3Å |
| 145 | F | 97.9 | Very high | 98.2 | Very high | 171 Ų | 171 | 76.1 Ų | 76.1 | 75% | 0.75 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -47.6 | 175.2 | -176.6 | -101.5 | 0 | 0 | 0 | 112.2 | K141 E142 | K141-F145 PolarHBondContact O-N 3.25Å; K141-F145 VanDerWaalsContact O-N 3.17Å; E142-F145 PolarHBondContact O-N 3.44Å |
| 146 | N | 97.2 | Very high | 98.2 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -148 | 121.8 | 175.7 | -171.5 | -10.1 | 0 | 0 | 0 | 111.3 | E142 F143 Y148 | E142-N146 PolarHBondContact O-N 2.92Å; E142-N146 VanDerWaalsContact O-O 3.12Å; F143-N146 CarbonylContact O-C 3.28Å; F143-N146 VanDerWaalsContact O-C 3.28Å; N146-Y148 PolarHBondContact ND2-O 3.13Å; N146-Y148 PolarHBondContact O-N 3.17Å; N146-Y148 VanDerWaalsContact O-N 3.13Å; N146-Y148 PolarHBondContact OD1-N 3.22Å; N146-Y148 PolarHBondContact OD1-O 2.97Å | ||
| 147 | R | 97.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 75.7 Ų | 75.7 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.2 | -16.5 | -179.5 | -54.9 | -62.8 | 160.7 | 98.7 | 0.6 | 113.3 | F143 R176 W179 | F143-R147 HydrophobicContact CE2-CB 4.13Å; F143-R147 HydrophobicContact CZ-CB 4.44Å; F143-R147 HydrophobicContact CZ-CG 4.41Å; F143-R147 WeakPolarHBondContact O-CD 3.28Å; F143-R147 PolarHBondContact O-N 3.04Å; F143-R147 PolarHBondContact O-NE 3.4Å; R147-R176 WeakPolarHBondContact O-CD 3.46Å; R147-W179 VanDerWaalsContact NH1-CE2 3.26Å |
| 148 | Y | 98.2 | Very high | 98.2 | Very high | 146 Ų | 146 | 72.5 Ų | 72.5 | 57% | 0.573 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -132.5 | 121.6 | -177.9 | -64 | -111.6 | 0 | 0 | 0 | 110.2 | N146 | N146-Y148 PolarHBondContact ND2-O 3.13Å; N146-Y148 PolarHBondContact O-N 3.17Å; N146-Y148 VanDerWaalsContact O-N 3.13Å; N146-Y148 PolarHBondContact OD1-N 3.22Å; N146-Y148 PolarHBondContact OD1-O 2.97Å |
| 149 | L | 98.1 | Very high | 98.2 | Very high | 26 Ų | 26 | 76.8 Ų | 76.8 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | trans | -82.7 | 134.9 | 178 | -63 | 179.4 | 0 | 0 | 0 | 112.6 | R153 I157 I168 F172 | L149-R153 HydrophobicContact CD2-CG 3.9Å; L149-I157 HydrophobicContact CD1-CD1 3.79Å; L149-I157 HydrophobicContact CD2-CD1 3.67Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; L149-I168 HydrophobicContact CD1-CG2 3.48Å; L149-I168 VanDerWaalsContact CD1-CG2 3.48Å; L149-F172 HydrophobicContact CD1-CD1 4.14Å; L149-F172 HydrophobicContact CD1-CD2 3.63Å; L149-F172 HydrophobicContact CD1-CE1 3.95Å; L149-F172 HydrophobicContact CD1-CE2 3.44Å; L149-F172 VanDerWaalsContact CD1-CE2 3.44Å; L149-F172 HydrophobicContact CD1-CG 3.99Å; L149-F172 HydrophobicContact CD1-CZ 3.61Å; L149-F172 HydrophobicContact CD2-CE1 3.76Å; L149-F172 HydrophobicContact CD2-CE2 4.42Å; L149-F172 HydrophobicContact CD2-CZ 3.72Å; L149-F172 HydrophobicContact CG-CD1 3.78Å; L149-F172 HydrophobicContact CG-CD2 4.2Å; L149-F172 HydrophobicContact CG-CE1 3.51Å; L149-F172 HydrophobicContact CG-CE2 3.99Å; L149-F172 HydrophobicContact CG-CG 4.12Å; L149-F172 HydrophobicContact CG-CZ 3.63Å | ||
| 150 | T | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | trans | -69.8 | 165.7 | 163.6 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | R152 R153 R154 | T150-R152 PolarHBondContact O-N 3.32Å; T150-R153 WeakPolarHBondContact OG1-CB 3.35Å; T150-R153 PolarHBondContact OG1-N 2.98Å; T150-R154 WeakPolarHBondContact O-CB 3.5Å; T150-R154 PolarHBondContact O-N 3.45Å; T150-R154 VanDerWaalsContact O-N 3.09Å | ||
| 151 | R | 98.2 | Very high | 98.2 | Very high | 137 Ų | 137 | 78.1 Ų | 78.1 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 179.8 | -179.3 | 62.5 | -178.6 | 86.4 | -7.9 | 112.3 | V155 E165 | R151-V155 PolarHBondContact O-N 2.72Å; R151-E165 VanDerWaalsContact CZ-CD 3.42Å; R151-E165 IonicContact CZ-OE1 3.54Å; R151-E165 VanDerWaalsContact CZ-OE1 3.23Å; R151-E165 IonicContact CZ-OE2 3.95Å; R151-E165 IonicContact NE-OE2 2.87Å; R151-E165 IonicContact NH1-OE1 2.79Å; R151-E165 PolarHBondContact NH1-OE1 2.83Å; R151-E165 IonicContact NH1-OE2 3.77Å; R151-E165 PolarHBondContact NH1-OE2 3.27Å; R151-E165 IonicContact NH2-OE1 2.82Å; R151-E165 PolarHBondContact NH2-OE1 3.33Å; R151-E165 IonicContact NH2-OE2 2.88Å; R151-E165 PolarHBondContact NH2-OE2 2.88Å |
| 152 | R | 98.2 | Very high | 98.2 | Very high | 190 Ų | 190 | 77.8 Ų | 77.8 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.5 | -51.5 | 179.1 | 177.5 | 177.3 | 171.1 | 159.8 | 1 | 111.1 | T150 R154 V155 E156 | T150-R152 PolarHBondContact O-N 3.32Å; R152-R154 PolarHBondContact O-N 3.14Å; R152-V155 WeakPolarHBondContact O-CB 3.32Å; R152-V155 PolarHBondContact O-N 3.04Å; R152-E156 WeakPolarHBondContact CG-OE1 3.46Å; R152-E156 IonicContact NE-OE1 3.1Å; R152-E156 PolarHBondContact NE-OE1 3.27Å; R152-E156 VanDerWaalsContact NE-OE1 3.1Å; R152-E156 PolarHBondContact O-N 3.4Å |
| 153 | R | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 78.2 Ų | 78.2 | 33% | 0.328 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -35.2 | -179 | -171.7 | 56 | 174.5 | 178.3 | -2.3 | 112.6 | E142 L149 T150 V155 E156 I157 | E142-R153 IonicContact OE1-CZ 3.23Å; E142-R153 IonicContact OE1-NE 3.6Å; E142-R153 IonicContact OE1-NH2 2.86Å; E142-R153 PolarHBondContact OE1-NH2 3.24Å; E142-R153 IonicContact OE2-CZ 2.79Å; E142-R153 IonicContact OE2-NE 3.64Å; E142-R153 PolarHBondContact OE2-NE 3.04Å; E142-R153 IonicContact OE2-NH2 2.79Å; E142-R153 PolarHBondContact OE2-NH2 3.46Å; E142-R153 VanDerWaalsContact OE2-NH2 3.07Å; L149-R153 HydrophobicContact CD2-CG 3.9Å; T150-R153 WeakPolarHBondContact OG1-CB 3.35Å; T150-R153 PolarHBondContact OG1-N 2.98Å; R153-V155 VanDerWaalsContact C-N 3.31Å; R153-V155 PolarHBondContact O-N 3.36Å; R153-E156 VanDerWaalsContact CD-OE2 3.24Å; R153-E156 WeakPolarHBondContact CD-OE2 3.32Å; R153-E156 IonicContact CZ-OE2 3.07Å; R153-E156 IonicContact NE-OE2 2.78Å; R153-E156 IonicContact NH1-OE2 3.87Å; R153-E156 PolarHBondContact NH1-OE2 3.25Å; R153-E156 PolarHBondContact O-N 3.01Å; R153-I157 HydrophobicContact CG-CD1 3.88Å; R153-I157 HydrophobicContact CG-CG1 4.45Å; R153-I157 WeakPolarHBondContact O-CG1 3.08Å; R153-I157 PolarHBondContact O-N 3.27Å; R153-I157 VanDerWaalsContact O-N 3.08Å |
| 154 | R | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 82 Ų | 82 | 21% | 0.208 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -38 | 174.2 | -169 | -171.4 | -56 | 166 | 6.4 | 112.8 | T150 R152 A158 E165 I168 | T150-R154 WeakPolarHBondContact O-CB 3.5Å; T150-R154 PolarHBondContact O-N 3.45Å; T150-R154 VanDerWaalsContact O-N 3.09Å; R152-R154 PolarHBondContact O-N 3.14Å; R154-A158 WeakPolarHBondContact O-CB 3.41Å; R154-A158 PolarHBondContact O-N 3.37Å; R154-A158 VanDerWaalsContact O-N 3.07Å; R154-E165 HydrophobicContact CG-CB 4.19Å; R154-E165 HydrophobicContact CG-CG 4.42Å; R154-I168 HydrophobicContact CG-CB 4.23Å; R154-I168 HydrophobicContact CG-CG2 4.03Å |
| 155 | V | 98.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 79.3 Ų | 79.3 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | R151 R152 R153 I157 A158 Q159 | R151-V155 PolarHBondContact O-N 2.72Å; R152-V155 WeakPolarHBondContact O-CB 3.32Å; R152-V155 PolarHBondContact O-N 3.04Å; R153-V155 VanDerWaalsContact C-N 3.31Å; R153-V155 PolarHBondContact O-N 3.36Å; V155-I157 PolarHBondContact O-N 3.1Å; V155-A158 WeakPolarHBondContact O-CB 3.35Å; V155-A158 PolarHBondContact O-N 3.21Å; V155-Q159 HydrophobicContact CG1-CG 4.32Å; V155-Q159 WeakPolarHBondContact O-CG 3.38Å; V155-Q159 PolarHBondContact O-N 3.49Å |
| 156 | E | 98.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 79.8 Ų | 79.8 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | -176.9 | -64.6 | 168.8 | -174.5 | 0 | 0 | 110.8 | R152 R153 A158 Q159 V160 | R152-E156 WeakPolarHBondContact CG-OE1 3.46Å; R152-E156 IonicContact NE-OE1 3.1Å; R152-E156 PolarHBondContact NE-OE1 3.27Å; R152-E156 VanDerWaalsContact NE-OE1 3.1Å; R152-E156 PolarHBondContact O-N 3.4Å; R153-E156 VanDerWaalsContact CD-OE2 3.24Å; R153-E156 WeakPolarHBondContact CD-OE2 3.32Å; R153-E156 IonicContact CZ-OE2 3.07Å; R153-E156 IonicContact NE-OE2 2.78Å; R153-E156 IonicContact NH1-OE2 3.87Å; R153-E156 PolarHBondContact NH1-OE2 3.25Å; R153-E156 PolarHBondContact O-N 3.01Å; E156-A158 PolarHBondContact O-N 3.02Å; E156-Q159 PolarHBondContact O-N 2.8Å; E156-V160 WeakPolarHBondContact O-CG2 3.35Å; E156-V160 PolarHBondContact O-N 3.27Å; E156-V160 VanDerWaalsContact O-N 3.08Å |
| 157 | I | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.046 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.7 | -62.1 | 164.4 | 0 | 0 | 0 | 111.5 | E142 L149 R153 V155 Q159 V160 L161 I168 | E142-I157 HydrophobicContact CB-CD1 3.89Å; E142-I157 HydrophobicContact CG-CD1 3.55Å; E142-I157 HydrophobicContact CG-CG1 3.97Å; L149-I157 HydrophobicContact CD1-CD1 3.79Å; L149-I157 HydrophobicContact CD2-CD1 3.67Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; R153-I157 HydrophobicContact CG-CD1 3.88Å; R153-I157 HydrophobicContact CG-CG1 4.45Å; R153-I157 WeakPolarHBondContact O-CG1 3.08Å; R153-I157 PolarHBondContact O-N 3.27Å; R153-I157 VanDerWaalsContact O-N 3.08Å; V155-I157 PolarHBondContact O-N 3.1Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 3.21Å; I157-V160 PolarHBondContact O-N 2.92Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.32Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 3.08Å; I157-I168 HydrophobicContact CG2-CD1 4Å; I157-I168 HydrophobicContact CG2-CG2 4.49Å |
| 158 | A | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 75.6 Ų | 75.6 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R154 V155 E156 C162 L163 E165 I168 | R154-A158 WeakPolarHBondContact O-CB 3.41Å; R154-A158 PolarHBondContact O-N 3.37Å; R154-A158 VanDerWaalsContact O-N 3.07Å; V155-A158 WeakPolarHBondContact O-CB 3.35Å; V155-A158 PolarHBondContact O-N 3.21Å; E156-A158 PolarHBondContact O-N 3.02Å; A158-C162 PolarHBondContact O-N 3.08Å; A158-C162 VanDerWaalsContact O-N 3.09Å; A158-L163 CarbonylContact C-O 3.55Å; A158-L163 WeakPolarHBondContact CA-O 3.39Å; A158-L163 VanDerWaalsContact CB-O 3.25Å; A158-L163 WeakPolarHBondContact CB-O 3.5Å; A158-L163 PolarHBondContact O-N 3.48Å; A158-L163 VanDerWaalsContact O-O 3.14Å; A158-E165 HydrophobicContact CB-CG 4.2Å; A158-I168 HydrophobicContact CB-CG1 4.16Å |
| 159 | Q | 98.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 74.2 Ų | 74.2 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.8 | -47.2 | 176.8 | -70.8 | 173.2 | -31.2 | 0 | 0 | 111.9 | V155 E156 I157 L161 C162 | V155-Q159 HydrophobicContact CG1-CG 4.32Å; V155-Q159 WeakPolarHBondContact O-CG 3.38Å; V155-Q159 PolarHBondContact O-N 3.49Å; E156-Q159 PolarHBondContact O-N 2.8Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 3.21Å; Q159-L161 VanDerWaalsContact C-N 3.29Å; Q159-L161 PolarHBondContact O-N 2.81Å; Q159-C162 PolarHBondContact O-N 2.88Å |
| 160 | V | 98 | Very high | 98.3 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 53% | 0.527 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | E156 I157 | E156-V160 WeakPolarHBondContact O-CG2 3.35Å; E156-V160 PolarHBondContact O-N 3.27Å; E156-V160 VanDerWaalsContact O-N 3.08Å; I157-V160 PolarHBondContact O-N 2.92Å |
| 161 | L | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -96.5 | -1.4 | -175.9 | -60.3 | -173.1 | 0 | 0 | 0 | 114.5 | Y134 Q135 E138 M139 I157 Q159 L163 I168 | Y134-L161 HydrophobicContact CD1-CD2 4.11Å; Y134-L161 HydrophobicContact CE1-CD2 3.64Å; Q135-L161 HydrophobicContact CG-CB 4.33Å; Q135-L161 HydrophobicContact CG-CD2 4.48Å; Q135-L161 PolarHBondContact NE2-O 2.95Å; E138-L161 HydrophobicContact CB-CD1 4.03Å; E138-L161 HydrophobicContact CB-CD2 3.68Å; E138-L161 HydrophobicContact CB-CG 4.36Å; E138-L161 HydrophobicContact CG-CD2 3.9Å; M139-L161 HydrophobicContact CG-CD1 3.62Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.32Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 3.08Å; Q159-L161 VanDerWaalsContact C-N 3.29Å; Q159-L161 PolarHBondContact O-N 2.81Å; L161-L163 HydrophobicContact CB-CD1 4.19Å; L161-L163 HydrophobicContact CB-CG 4.14Å; L161-L163 PolarHBondContact O-N 3.25Å; L161-I168 HydrophobicContact CD1-CD1 4.38Å |
| 162 | C | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 66.7 Ų | 66.7 | 79% | 0.791 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.9 | -172 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | A158 Q159 | A158-C162 PolarHBondContact O-N 3.08Å; A158-C162 VanDerWaalsContact O-N 3.09Å; Q159-C162 PolarHBondContact O-N 2.88Å |
| 163 | L | 97.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -115.9 | 154.5 | 177 | -67.5 | 179.4 | 0 | 0 | 0 | 109.9 | Y131 Q135 M139 A158 L161 Q167 I168 | Y131-L163 HydrophobicContact CD1-CD1 3.94Å; Y131-L163 HydrophobicContact CD1-CD2 3.95Å; Y131-L163 HydrophobicContact CE1-CD1 3.94Å; Y131-L163 HydrophobicContact CE1-CD2 3.82Å; Q135-L163 HydrophobicContact CB-CD1 4.48Å; M139-L163 HydrophobicContact CE-CD1 4.47Å; M139-L163 HydrophobicContact SD-CD1 4.32Å; A158-L163 CarbonylContact C-O 3.55Å; A158-L163 WeakPolarHBondContact CA-O 3.39Å; A158-L163 VanDerWaalsContact CB-O 3.25Å; A158-L163 WeakPolarHBondContact CB-O 3.5Å; A158-L163 PolarHBondContact O-N 3.48Å; A158-L163 VanDerWaalsContact O-O 3.14Å; L161-L163 HydrophobicContact CB-CD1 4.19Å; L161-L163 HydrophobicContact CB-CG 4.14Å; L161-L163 PolarHBondContact O-N 3.25Å; L163-Q167 HydrophobicContact CB-CB 4.43Å; L163-I168 HydrophobicContact CB-CD1 3.95Å; L163-I168 HydrophobicContact CB-CG1 4.38Å; L163-I168 HydrophobicContact CD1-CD1 3.83Å | ||
| 164 | T | 98.5 | Very high | 98.3 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -71.7 | 148.3 | 172.7 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | R166 Q167 I168 | T164-R166 PolarHBondContact O-N 3.4Å; T164-Q167 WeakPolarHBondContact O-CB 3.43Å; T164-Q167 PolarHBondContact O-N 2.93Å; T164-Q167 VanDerWaalsContact OG1-CG 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.41Å; T164-Q167 PolarHBondContact OG1-N 2.9Å; T164-Q167 PolarHBondContact OG1-OE1 3.4Å; T164-I168 PolarHBondContact O-N 3.01Å; T164-I168 VanDerWaalsContact O-N 3.13Å | ||
| 165 | E | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.3 | -33.6 | 173.9 | -66.1 | -175.6 | -158.4 | 0 | 0 | 112.8 | R151 R154 A158 I168 K169 | R151-E165 VanDerWaalsContact CZ-CD 3.42Å; R151-E165 IonicContact CZ-OE1 3.54Å; R151-E165 VanDerWaalsContact CZ-OE1 3.23Å; R151-E165 IonicContact CZ-OE2 3.95Å; R151-E165 IonicContact NE-OE2 2.87Å; R151-E165 IonicContact NH1-OE1 2.79Å; R151-E165 PolarHBondContact NH1-OE1 2.83Å; R151-E165 IonicContact NH1-OE2 3.77Å; R151-E165 PolarHBondContact NH1-OE2 3.27Å; R151-E165 IonicContact NH2-OE1 2.82Å; R151-E165 PolarHBondContact NH2-OE1 3.33Å; R151-E165 IonicContact NH2-OE2 2.88Å; R151-E165 PolarHBondContact NH2-OE2 2.88Å; R154-E165 HydrophobicContact CG-CB 4.19Å; R154-E165 HydrophobicContact CG-CG 4.42Å; A158-E165 HydrophobicContact CB-CG 4.2Å; E165-I168 PolarHBondContact O-N 3.43Å; E165-K169 WeakPolarHBondContact O-CB 3.48Å; E165-K169 PolarHBondContact O-N 2.82Å |
| 166 | R | 98.1 | Very high | 98.3 | Very high | 181 Ų | 181 | 64.2 Ų | 64.2 | 68% | 0.683 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 176.2 | -175.9 | 178.6 | -176.5 | -84.9 | -1.3 | 111.5 | T164 K169 I170 | T164-R166 PolarHBondContact O-N 3.4Å; R166-K169 WeakPolarHBondContact O-CB 3.31Å; R166-K169 PolarHBondContact O-N 3.22Å; R166-I170 HydrophobicContact CG-CD1 3.98Å; R166-I170 VanDerWaalsContact NH1-CD1 3.32Å; R166-I170 VanDerWaalsContact O-CG1 3.32Å; R166-I170 WeakPolarHBondContact O-CG1 3.33Å; R166-I170 PolarHBondContact O-N 3.5Å |
| 167 | Q | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.4 | -76.7 | 163.8 | -54.8 | 0 | 0 | 111 | L163 T164 K169 I170 W171 | L163-Q167 HydrophobicContact CB-CB 4.43Å; T164-Q167 WeakPolarHBondContact O-CB 3.43Å; T164-Q167 PolarHBondContact O-N 2.93Å; T164-Q167 VanDerWaalsContact OG1-CG 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.41Å; T164-Q167 PolarHBondContact OG1-N 2.9Å; T164-Q167 PolarHBondContact OG1-OE1 3.4Å; Q167-K169 VanDerWaalsContact C-N 3.33Å; Q167-K169 PolarHBondContact O-N 3.17Å; Q167-I170 PolarHBondContact O-N 3.37Å; Q167-W171 WeakPolarHBondContact O-CB 3.49Å; Q167-W171 PolarHBondContact O-N 3.37Å |
| 168 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.4 | -57.7 | -56.1 | 0 | 0 | 0 | 110.7 | M139 L149 R154 I157 A158 L161 L163 T164 E165 I170 W171 F172 | M139-I168 HydrophobicContact CG-CD1 4.28Å; M139-I168 HydrophobicContact SD-CD1 3.87Å; L149-I168 HydrophobicContact CD1-CG2 3.48Å; L149-I168 VanDerWaalsContact CD1-CG2 3.48Å; R154-I168 HydrophobicContact CG-CB 4.23Å; R154-I168 HydrophobicContact CG-CG2 4.03Å; I157-I168 HydrophobicContact CG2-CD1 4Å; I157-I168 HydrophobicContact CG2-CG2 4.49Å; A158-I168 HydrophobicContact CB-CG1 4.16Å; L161-I168 HydrophobicContact CD1-CD1 4.38Å; L163-I168 HydrophobicContact CB-CD1 3.95Å; L163-I168 HydrophobicContact CB-CG1 4.38Å; L163-I168 HydrophobicContact CD1-CD1 3.83Å; T164-I168 PolarHBondContact O-N 3.01Å; T164-I168 VanDerWaalsContact O-N 3.13Å; E165-I168 PolarHBondContact O-N 3.43Å; I168-I170 PolarHBondContact O-N 3.16Å; I168-W171 PolarHBondContact O-N 3.45Å; I168-F172 HydrophobicContact CG2-CD2 4.03Å; I168-F172 HydrophobicContact CG2-CE2 4.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.45Å; I168-F172 PolarHBondContact O-N 2.79Å |
| 169 | K | 98.2 | Very high | 98 | Very high | 117 Ų | 117 | 76.4 Ų | 76.4 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 177.4 | -177.6 | -176.7 | 177.1 | -176.5 | 0 | 112 | E165 R166 Q167 F172 Q173 | E165-K169 WeakPolarHBondContact O-CB 3.48Å; E165-K169 PolarHBondContact O-N 2.82Å; R166-K169 WeakPolarHBondContact O-CB 3.31Å; R166-K169 PolarHBondContact O-N 3.22Å; Q167-K169 VanDerWaalsContact C-N 3.33Å; Q167-K169 PolarHBondContact O-N 3.17Å; K169-F172 PolarHBondContact O-N 2.98Å; K169-Q173 PolarHBondContact O-N 3.3Å |
| 170 | I | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 179.6 | -70.1 | 168 | 0 | 0 | 0 | 110.4 | R166 Q167 I168 F172 Q173 N174 | R166-I170 HydrophobicContact CG-CD1 3.98Å; R166-I170 VanDerWaalsContact NH1-CD1 3.32Å; R166-I170 VanDerWaalsContact O-CG1 3.32Å; R166-I170 WeakPolarHBondContact O-CG1 3.33Å; R166-I170 PolarHBondContact O-N 3.5Å; Q167-I170 PolarHBondContact O-N 3.37Å; I168-I170 PolarHBondContact O-N 3.16Å; I170-F172 PolarHBondContact O-N 3.24Å; I170-Q173 WeakPolarHBondContact O-CB 3.4Å; I170-Q173 PolarHBondContact O-N 2.71Å; I170-N174 VanDerWaalsContact O-CG 3.3Å; I170-N174 PolarHBondContact O-N 3.03Å |
| 171 | W | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 78 Ų | 78 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 178.8 | -170.2 | 99.6 | 0 | 0 | 0 | 111.3 | Y131 T136 M139 E140 F143 Q167 I168 Q173 N174 R175 | Y131-W171 AromaticContact CD2-CD1 3.89Å; Y131-W171 AromaticContact CE2-CD1 3.74Å; T136-W171 HydrophobicContact CG2-CZ2 4.42Å; M139-W171 HydrophobicContact CB-CD2 3.92Å; M139-W171 HydrophobicContact CB-CE3 3.75Å; M139-W171 HydrophobicContact CB-CH2 3.67Å; M139-W171 HydrophobicContact CB-CZ2 3.83Å; M139-W171 HydrophobicContact CB-CZ3 3.63Å; M139-W171 VanDerWaalsContact CE-CD1 3.43Å; M139-W171 HydrophobicContact CE-CD2 3.94Å; M139-W171 HydrophobicContact CE-CG 3.76Å; M139-W171 HydrophobicContact CE-CZ2 4.5Å; M139-W171 HydrophobicContact CG-CD2 4.36Å; M139-W171 HydrophobicContact CG-CE3 4.39Å; M139-W171 WeakPolarHBondContact O-CZ3 3.37Å; M139-W171 HydrophobicContact SD-CB 3.84Å; M139-W171 HydrophobicContact SD-CD2 3.61Å; M139-W171 HydrophobicContact SD-CE3 4.1Å; M139-W171 HydrophobicContact SD-CG 3.47Å; E140-W171 HydrophobicContact CB-CH2 4.45Å; E140-W171 HydrophobicContact CG-CH2 3.72Å; E140-W171 HydrophobicContact CG-CZ2 3.85Å; F143-W171 HydrophobicContact CB-CZ3 4.29Å; Q167-W171 WeakPolarHBondContact O-CB 3.49Å; Q167-W171 PolarHBondContact O-N 3.37Å; I168-W171 PolarHBondContact O-N 3.45Å; W171-Q173 VanDerWaalsContact C-N 3.3Å; W171-Q173 PolarHBondContact O-N 2.79Å; W171-N174 PolarHBondContact O-N 2.94Å; W171-R175 HydrophobicContact CE3-CB 3.96Å; W171-R175 HydrophobicContact CH2-CB 4.06Å; W171-R175 HydrophobicContact CH2-CG 3.77Å; W171-R175 HydrophobicContact CZ3-CB 3.69Å; W171-R175 HydrophobicContact CZ3-CG 3.74Å; W171-R175 WeakPolarHBondContact O-CB 3.47Å; W171-R175 PolarHBondContact O-N 3.31Å |
| 172 | F | 98.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 81.4 Ų | 81.4 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 176.7 | -92.1 | -103.5 | 0 | 0 | 0 | 113.1 | M139 E142 F143 L149 I168 K169 I170 R176 | M139-F172 HydrophobicContact CB-CE2 4.47Å; E142-F172 HydrophobicContact CB-CZ 4Å; F143-F172 HydrophobicContact CB-CE1 4.11Å; F143-F172 HydrophobicContact CB-CZ 4.26Å; F143-F172 AromaticContact CD2-CD1 3.99Å; F143-F172 HydrophobicContact CD2-CD1 3.99Å; F143-F172 AromaticContact CD2-CE1 3.92Å; F143-F172 HydrophobicContact CD2-CE1 3.92Å; L149-F172 HydrophobicContact CD1-CD1 4.14Å; L149-F172 HydrophobicContact CD1-CD2 3.63Å; L149-F172 HydrophobicContact CD1-CE1 3.95Å; L149-F172 HydrophobicContact CD1-CE2 3.44Å; L149-F172 VanDerWaalsContact CD1-CE2 3.44Å; L149-F172 HydrophobicContact CD1-CG 3.99Å; L149-F172 HydrophobicContact CD1-CZ 3.61Å; L149-F172 HydrophobicContact CD2-CE1 3.76Å; L149-F172 HydrophobicContact CD2-CE2 4.42Å; L149-F172 HydrophobicContact CD2-CZ 3.72Å; L149-F172 HydrophobicContact CG-CD1 3.78Å; L149-F172 HydrophobicContact CG-CD2 4.2Å; L149-F172 HydrophobicContact CG-CE1 3.51Å; L149-F172 HydrophobicContact CG-CE2 3.99Å; L149-F172 HydrophobicContact CG-CG 4.12Å; L149-F172 HydrophobicContact CG-CZ 3.63Å; I168-F172 HydrophobicContact CG2-CD2 4.03Å; I168-F172 HydrophobicContact CG2-CE2 4.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.45Å; I168-F172 PolarHBondContact O-N 2.79Å; K169-F172 PolarHBondContact O-N 2.98Å; I170-F172 PolarHBondContact O-N 3.24Å; F172-R176 WeakPolarHBondContact O-CG 3.41Å; F172-R176 PolarHBondContact O-N 3.35Å; F172-R176 VanDerWaalsContact O-N 3.1Å; F172-R176 PolarHBondContact O-NE 3.48Å |
| 173 | Q | 98.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -50.8 | 171.8 | -172.5 | 173.4 | 14.5 | 0 | 0 | 110.7 | K169 I170 W171 R175 R176 M177 | K169-Q173 PolarHBondContact O-N 3.3Å; I170-Q173 WeakPolarHBondContact O-CB 3.4Å; I170-Q173 PolarHBondContact O-N 2.71Å; W171-Q173 VanDerWaalsContact C-N 3.3Å; W171-Q173 PolarHBondContact O-N 2.79Å; Q173-R175 VanDerWaalsContact C-N 3.31Å; Q173-R175 PolarHBondContact O-N 3.41Å; Q173-R176 PolarHBondContact O-N 2.93Å; Q173-M177 VanDerWaalsContact O-CG 3.31Å; Q173-M177 WeakPolarHBondContact O-CG 3.05Å; Q173-M177 PolarHBondContact O-N 3.48Å; Q173-M177 VanDerWaalsContact O-N 3.08Å |
| 174 | N | 98.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 86.4 Ų | 86.4 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.8 | -66.9 | -14.9 | 0 | 0 | 0 | 111.6 | I170 W171 R176 M177 K178 | I170-N174 VanDerWaalsContact O-CG 3.3Å; I170-N174 PolarHBondContact O-N 3.03Å; W171-N174 PolarHBondContact O-N 2.94Å; N174-R176 PolarHBondContact O-N 2.97Å; N174-M177 PolarHBondContact O-N 3.42Å; N174-K178 PolarHBondContact O-N 2.75Å |
| 175 | R | 98.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 87.2 Ų | 87.2 | 17% | 0.17 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | -180 | -173.5 | 63.2 | -177.6 | 128.7 | -6.7 | 112 | F143 W171 Q173 K178 W179 | F143-R175 HydrophobicContact CB-CG 4.49Å; F143-R175 HydrophobicContact CD1-CG 3.8Å; F143-R175 HydrophobicContact CD2-CB 4.29Å; F143-R175 HydrophobicContact CD2-CG 3.67Å; F143-R175 HydrophobicContact CE1-CG 3.82Å; F143-R175 HydrophobicContact CE2-CB 4.22Å; F143-R175 HydrophobicContact CE2-CG 3.71Å; F143-R175 HydrophobicContact CG-CG 3.71Å; F143-R175 HydrophobicContact CZ-CG 3.77Å; W171-R175 HydrophobicContact CE3-CB 3.96Å; W171-R175 HydrophobicContact CH2-CB 4.06Å; W171-R175 HydrophobicContact CH2-CG 3.77Å; W171-R175 HydrophobicContact CZ3-CB 3.69Å; W171-R175 HydrophobicContact CZ3-CG 3.74Å; W171-R175 WeakPolarHBondContact O-CB 3.47Å; W171-R175 PolarHBondContact O-N 3.31Å; Q173-R175 VanDerWaalsContact C-N 3.31Å; Q173-R175 PolarHBondContact O-N 3.41Å; R175-K178 PolarHBondContact O-N 3.35Å; R175-W179 WeakPolarHBondContact O-CB 3.39Å; R175-W179 PolarHBondContact O-N 2.77Å |
| 176 | R | 97.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 90.1 Ų | 90.1 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.5 | -75.2 | -177.9 | -67.9 | 163.8 | 4.4 | 112.6 | F143 R147 F172 Q173 N174 K178 W179 K180 | F143-R176 HydrophobicContact CE2-CG 3.69Å; F143-R176 HydrophobicContact CZ-CG 4.26Å; R147-R176 WeakPolarHBondContact O-CD 3.46Å; F172-R176 WeakPolarHBondContact O-CG 3.41Å; F172-R176 PolarHBondContact O-N 3.35Å; F172-R176 VanDerWaalsContact O-N 3.1Å; F172-R176 PolarHBondContact O-NE 3.48Å; Q173-R176 PolarHBondContact O-N 2.93Å; N174-R176 PolarHBondContact O-N 2.97Å; R176-K178 VanDerWaalsContact C-N 3.35Å; R176-W179 PolarHBondContact O-N 2.96Å; R176-K180 WeakPolarHBondContact O-CB 3.49Å; R176-K180 PolarHBondContact O-N 3.02Å |
| 177 | M | 97.7 | Very high | 90.6 | Very high | 113 Ų | 113 | 86 Ų | 86 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 177 | -65.6 | -60.8 | -86.7 | 0 | 0 | 111.4 | Q173 N174 K181 | Q173-M177 VanDerWaalsContact O-CG 3.31Å; Q173-M177 WeakPolarHBondContact O-CG 3.05Å; Q173-M177 PolarHBondContact O-N 3.48Å; Q173-M177 VanDerWaalsContact O-N 3.08Å; N174-M177 PolarHBondContact O-N 3.42Å; M177-K181 PolarHBondContact O-N 3.07Å |
| 178 | K | 96.3 | Very high | 88.7 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -50 | 174.1 | -178.6 | 175.7 | 177.2 | -174.3 | 0 | 111.5 | N174 R175 R176 K180 K181 D182 | N174-K178 PolarHBondContact O-N 2.75Å; R175-K178 PolarHBondContact O-N 3.35Å; R176-K178 VanDerWaalsContact C-N 3.35Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.06Å; K178-K181 WeakPolarHBondContact O-CA 3.49Å; K178-K181 WeakPolarHBondContact O-CB 3.36Å; K178-K181 PolarHBondContact O-N 2.89Å; K178-D182 WeakPolarHBondContact CE-OD2 3.47Å; K178-D182 WeakPolarHBondContact CG-OD2 3.34Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 2.96Å |
| 179 | W | 95.8 | Very high | 86.6 | Confident | 93 Ų | 93 | 92 Ų | 92 | 35% | 0.352 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -54.5 | -45.8 | 178 | 178.8 | 77.3 | 0 | 0 | 0 | 112.4 | F143 R147 R175 R176 K181 D182 H183 | F143-W179 HydrophobicContact CE1-CB 4.28Å; F143-W179 HydrophobicContact CE1-CG 4.28Å; F143-W179 HydrophobicContact CZ-CB 3.96Å; F143-W179 HydrophobicContact CZ-CG 4.13Å; R147-W179 VanDerWaalsContact NH1-CE2 3.26Å; R175-W179 WeakPolarHBondContact O-CB 3.39Å; R175-W179 PolarHBondContact O-N 2.77Å; R176-W179 PolarHBondContact O-N 2.96Å; W179-K181 VanDerWaalsContact C-N 3.26Å; W179-K181 PolarHBondContact O-N 2.74Å; W179-D182 PolarHBondContact O-N 3.13Å; W179-H183 AromaticContact CD1-CD2 3.27Å; W179-H183 AromaticContact CD1-NE2 3.33Å; W179-H183 VanDerWaalsContact CD1-NE2 3.33Å; W179-H183 AromaticContact CD2-CD2 3.98Å; W179-H183 AromaticContact CE2-CD2 3.47Å; W179-H183 VanDerWaalsContact CE2-CD2 3.47Å; W179-H183 AromaticContact CE2-CG 3.96Å; W179-H183 AromaticContact CE2-NE2 3.69Å; W179-H183 AromaticContact CG-CD2 3.87Å; W179-H183 AromaticContact NE1-CD2 2.95Å; W179-H183 PolarHBondContact NE1-CD2 3.32Å; W179-H183 AromaticContact NE1-CE1 3.68Å; W179-H183 AromaticContact NE1-CG 3.82Å; W179-H183 AromaticContact NE1-NE2 2.81Å; W179-H183 PolarHBondContact NE1-NE2 2.84Å; W179-H183 WeakPolarHBondContact O-CB 3.11Å; W179-H183 PolarHBondContact O-CD2 3.23Å; W179-H183 VanDerWaalsContact O-CD2 3.22Å; W179-H183 PolarHBondContact O-N 3.41Å |
| 180 | K | 95.6 | Very high | 84.1 | Confident | 117 Ų | 117 | 90.2 Ų | 90.2 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -35 | 177.1 | -175 | -176.4 | 67.8 | 174.2 | 0 | 112.7 | R176 K178 K184 | R176-K180 WeakPolarHBondContact O-CB 3.49Å; R176-K180 PolarHBondContact O-N 3.02Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.06Å; K180-K184 PolarHBondContact O-N 2.64Å |
| 181 | K | 94.6 | Very high | 81.5 | Confident | 141 Ų | 141 | 94 Ų | 94 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.1 | -53.6 | 177.3 | -175.3 | 175.9 | 178 | 179.5 | 0 | 110 | M177 K178 W179 H183 K184 | M177-K181 PolarHBondContact O-N 3.07Å; K178-K181 WeakPolarHBondContact O-CA 3.49Å; K178-K181 WeakPolarHBondContact O-CB 3.36Å; K178-K181 PolarHBondContact O-N 2.89Å; W179-K181 VanDerWaalsContact C-N 3.26Å; W179-K181 PolarHBondContact O-N 2.74Å; K181-H183 PolarHBondContact O-N 3.12Å; K181-H183 VanDerWaalsContact O-N 3.17Å; K181-K184 PolarHBondContact O-N 3.43Å |
| 182 | D | 90.9 | Very high | 79 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.5 | -32.8 | -177.4 | -56.6 | -10.4 | 0 | 0 | 0 | 112 | K178 W179 | K178-D182 WeakPolarHBondContact CE-OD2 3.47Å; K178-D182 WeakPolarHBondContact CG-OD2 3.34Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 2.96Å; W179-D182 PolarHBondContact O-N 3.13Å |
| 183 | H | 86 | Confident | 76.3 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -89.2 | -9.6 | 178.9 | -78.2 | -90.3 | 0 | 0 | 0 | 115.6 | W179 K181 | W179-H183 AromaticContact CD1-CD2 3.27Å; W179-H183 AromaticContact CD1-NE2 3.33Å; W179-H183 VanDerWaalsContact CD1-NE2 3.33Å; W179-H183 AromaticContact CD2-CD2 3.98Å; W179-H183 AromaticContact CE2-CD2 3.47Å; W179-H183 VanDerWaalsContact CE2-CD2 3.47Å; W179-H183 AromaticContact CE2-CG 3.96Å; W179-H183 AromaticContact CE2-NE2 3.69Å; W179-H183 AromaticContact CG-CD2 3.87Å; W179-H183 AromaticContact NE1-CD2 2.95Å; W179-H183 PolarHBondContact NE1-CD2 3.32Å; W179-H183 AromaticContact NE1-CE1 3.68Å; W179-H183 AromaticContact NE1-CG 3.82Å; W179-H183 AromaticContact NE1-NE2 2.81Å; W179-H183 PolarHBondContact NE1-NE2 2.84Å; W179-H183 WeakPolarHBondContact O-CB 3.11Å; W179-H183 PolarHBondContact O-CD2 3.23Å; W179-H183 VanDerWaalsContact O-CD2 3.22Å; W179-H183 PolarHBondContact O-N 3.41Å; K181-H183 PolarHBondContact O-N 3.12Å; K181-H183 VanDerWaalsContact O-N 3.17Å |
| 184 | K | 75.8 | Confident | 73.9 | Confident | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.7 | -40.4 | 174.7 | -174.4 | 81.4 | 78.8 | 173.5 | 0 | 110.1 | K180 K181 S187 | K180-K184 PolarHBondContact O-N 2.64Å; K181-K184 PolarHBondContact O-N 3.43Å; K184-S187 PolarHBondContact O-N 2.83Å; K184-S187 PolarHBondContact O-OG 3.24Å |
| 185 | D | 65.6 | Low | 71.3 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -75.2 | -29.1 | -171.7 | -56.3 | -26 | 0 | 0 | 0 | 111.9 | S188 S189 | D185-S188 PolarHBondContact O-OG 3.03Å; D185-S189 PolarHBondContact O-OG 3.16Å |
| 186 | E | 62.9 | Low | 68.6 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.3 | -27.6 | 177.4 | -162.9 | 67.9 | -114 | 0 | 0 | 113.4 | S188 S189 S190 | E186-S188 PolarHBondContact O-N 3.15Å; E186-S189 PolarHBondContact O-N 3.36Å; E186-S189 PolarHBondContact O-OG 2.82Å; E186-S190 PolarHBondContact O-OG 3.41Å |
| 187 | S | 58.5 | Low | 66.1 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -10.3 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 114 | K184 | K184-S187 PolarHBondContact O-N 2.83Å; K184-S187 PolarHBondContact O-OG 3.24Å |
| 188 | S | 57.9 | Low | 63.5 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -2.9 | 175.8 | 48.2 | 0 | 0 | 0 | 0 | 114.3 | D185 E186 | D185-S188 PolarHBondContact O-OG 3.03Å; E186-S188 PolarHBondContact O-N 3.15Å |
| 189 | S | 54.4 | Low | 61.4 | Low | 80 Ų | 80 | 113.1 Ų | 113.1 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 4.2 | -177.2 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | D185 E186 | D185-S189 PolarHBondContact O-OG 3.16Å; E186-S189 PolarHBondContact O-N 3.36Å; E186-S189 PolarHBondContact O-OG 2.82Å |
| 190 | S | 45 | Very low | 58.7 | Low | 80 Ų | 80 | 114.3 Ų | 114.3 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | trans | -105.2 | 84.5 | 177.9 | 36.1 | 0 | 0 | 0 | 0 | 111.4 | E186 P192 | E186-S190 PolarHBondContact O-OG 3.41Å; S190-P192 WeakPolarHBondContact O-CD 3.38Å | ||
| 191 | T | 44.8 | Very low | 56.5 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | trans | -70.2 | 116 | 152 | -46.8 | 0 | 0 | 0 | 0 | 107.5 | G193 | T191-G193 PolarHBondContact O-N 3.4Š| ||
| 192 | P | 46.4 | Very low | 54.4 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -83.8 | 91.2 | 163.4 | 32.2 | -23.7 | 0 | 0 | 0 | 107.1 | S190 | S190-P192 WeakPolarHBondContact O-CD 3.38Š| ||
| 193 | G | 42.3 | Very low | 52.5 | Low | 63 Ų | 63 | 121.5 Ų | 121.5 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | trans | -87.2 | 128.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T191 | T191-G193 PolarHBondContact O-N 3.4Š| ||
| 194 | A | 47.2 | Very low | 50.9 | Low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | 83.2 | 84.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 195 | T | 42.7 | Very low | 49.7 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | -153.7 | 83.9 | 116.4 | 31.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 196 | S | 42.9 | Very low | 49 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -108.2 | 88.1 | 161 | 55.1 | 0 | 0 | 0 | 0 | 106.2 | D198 | S196-D198 PolarHBondContact O-N 3.3Š| ||
| 197 | E | 44.5 | Very low | 49.2 | Very low | 190 Ų | 190 | 124 Ų | 124 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -79 | 105.8 | 159.4 | -72.5 | -177.6 | 163.2 | 0 | 0 | 106.5 | ||||
| 198 | D | 44.3 | Very low | 48.6 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 117.2 | 163.7 | 170.9 | 61.4 | 0 | 0 | 0 | 107.8 | S196 N200 | S196-D198 PolarHBondContact O-N 3.3Å; D198-N200 PolarHBondContact OD1-ND2 3.39Å; D198-N200 VanDerWaalsContact OD1-ND2 3.12Å | ||
| 199 | V | 51 | Low | 48.1 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -141.2 | 108 | 155.6 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 200 | N | 40.1 | Very low | 47.6 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -78.8 | 141.6 | 165.2 | -69.1 | -74.8 | 0 | 0 | 0 | 110.2 | D198 | D198-N200 PolarHBondContact OD1-ND2 3.39Å; D198-N200 VanDerWaalsContact OD1-ND2 3.12Å | ||
| 201 | E | 48.3 | Very low | 47.4 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 11.5 | 154 | 151.4 | -66.5 | 164.3 | 157.6 | 0 | 0 | 122.7 | ||||
| 202 | D | 51.4 | Low | 47.5 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 99.1 | 86.9 | 159.3 | -51.8 | -42.4 | 0 | 0 | 0 | 118.7 | ||||
| 203 | D | 50.6 | Low | 47.4 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | -155.3 | 136.1 | 127.4 | -162.8 | -131.5 | 0 | 0 | 0 | 111.8 | |||||
| 204 | D | 52.9 | Low | 47.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -90.1 | 121.1 | -167.8 | -158.8 | -68.8 | 0 | 0 | 0 | 109.4 | ||||
| 205 | S | 48.9 | Very low | 47.6 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -163.5 | 102.8 | 164.6 | -77.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 206 | D | 51.8 | Low | 48 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -71.1 | 175.5 | 175.3 | -109.8 | -22.6 | 0 | 0 | 0 | 113.8 | ||||
| 207 | P | 66.9 | Low | 48.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -109.4 | 159.8 | -133.7 | 41.1 | -34 | 0 | 0 | 0 | 114.7 | ||||
| 208 | V | 46.8 | Very low | 49 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -139.9 | 102.5 | 168.1 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 209 | T | 46.5 | Very low | 49.8 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | 57.2 | 126.3 | 130.6 | 74.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 210 | D | 43.6 | Very low | 50.1 | Low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | 87.8 | 121.2 | 124.7 | -97.7 | -82.9 | 0 | 0 | 0 | 123.5 | |||||
| 211 | G | 42.4 | Very low | 50.5 | Low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 89.4 | 141.7 | 136.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 212 | Q | 46.3 | Very low | 50.3 | Low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -178.7 | 141.4 | -2.3 | 177.7 | 126.3 | -16 | 0 | 0 | 107 | ||||
| 213 | S | 44.1 | Very low | 50.2 | Low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 69.1 | 156 | 151.2 | 77.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 214 | K | 42 | Very low | 49.9 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | cis | -164.5 | 155.3 | 13.5 | -161.6 | 162 | 168.8 | -179.4 | 0 | 108.4 | ||||
| 215 | A | 51.3 | Low | 49.6 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -50.2 | 152.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 216 | E | 52 | Low | 49.2 | Very low | 192 Ų | 192 | 127.7 Ų | 127.7 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | -163.3 | 124.6 | 125.3 | 32.3 | -150.9 | 133.2 | 0 | 0 | 113.8 | |||||
| 217 | D | 46.9 | Very low | 49.1 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -54.1 | 148 | 165.4 | -81.5 | -99.1 | 0 | 0 | 0 | 113.8 | ||||
| 218 | A | 61.1 | Low | 48.3 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -154.9 | 93.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 219 | E | 60.6 | Low | 48.5 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -64.9 | 137.6 | 148.5 | -69.4 | -108.4 | 148.1 | 0 | 0 | 108.6 | ||||
| 220 | D | 56.7 | Low | 48.8 | Very low | 168 Ų | 168 | 130 Ų | 130 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | -148.2 | 117.9 | 142 | -133.5 | -37.7 | 0 | 0 | 0 | 109 | ||||
| 221 | G | 50.2 | Low | 49 | Very low | 53 Ų | 53 | 131.8 Ų | 131.8 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | trans | -100 | -172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 222 | D | 43.9 | Very low | 49.8 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 74.7 | 141 | 158.5 | -131.6 | 37.9 | 0 | 0 | 0 | 114.5 | ||||
| 223 | S | 49.3 | Very low | 50.4 | Low | 61 Ų | 61 | 132.4 Ų | 132.4 | 43% | 0.427 | 76% | 0.758 | S | S | . | * | cis | -172 | 149.3 | 19.4 | -143.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 224 | Q | 44.5 | Very low | 50.8 | Low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 57.3 | 135.8 | 135.3 | -68 | 172.2 | 35.8 | 0 | 0 | 120.5 | ||||
| 225 | S | 44.7 | Very low | 51.4 | Low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | 155.7 | 117.8 | 92.5 | -164.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 226 | T | 41.6 | Very low | 51.3 | Low | 108 Ų | 108 | 134.2 Ų | 134.2 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | 59.3 | 150.9 | 130.2 | 73.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 227 | R | 50.1 | Low | 51.1 | Low | 211 Ų | 211 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | cis | -159.7 | 139.9 | 9.1 | -105.8 | 140.5 | -170.9 | -179.8 | 3.5 | 105.1 | ||||
| 228 | V | 49.9 | Very low | 51.6 | Low | 138 Ų | 138 | 129 Ų | 129 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | 43.3 | 114.1 | 104 | -159.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 229 | A | 51.1 | Low | 51.2 | Low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 180 | 115.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 230 | S | 52.3 | Low | 51.3 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -59.2 | 143 | 154.5 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 231 | E | 48.4 | Very low | 51.2 | Low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -166.4 | 125.1 | 139.2 | -111.5 | 168.3 | 120.4 | 0 | 0 | 112.9 | ||||
| 232 | T | 58.6 | Low | 51.7 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -72.7 | 152.2 | 165.7 | -48.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 233 | P | 58.9 | Low | 52.6 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -131.5 | 131.2 | 133.4 | 32.3 | -20.1 | 0 | 0 | 0 | 112.6 | ||||
| 234 | A | 52.3 | Low | 53.3 | Low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 142.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 235 | R | 55.4 | Low | 53.6 | Low | 253 Ų | 253 | 140.8 Ų | 140.8 | 96% | 0.955 | 78% | 0.784 | S | S | * | * | trans | -137.7 | 108.2 | 147.4 | -88.9 | -170.6 | 172 | -173.6 | -2.8 | 108.1 | ||||
| 236 | G | 49.8 | Very low | 54.1 | Low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 177.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 237 | D | 46.9 | Very low | 55.4 | Low | 166 Ų | 166 | 147.2 Ų | 147.2 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | 71.3 | 123.4 | 148.9 | -83.9 | -70.8 | 0 | 0 | 0 | 121 | ||||
| 238 | G | 56.6 | Low | 55.7 | Low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | 169.3 | 53.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K240 | G238-K240 PolarHBondContact O-N 3.09Š| ||
| 239 | D | 53.4 | Low | 56 | Low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -47.7 | 125.4 | 158.9 | -73 | -44.2 | 0 | 0 | 0 | 110.9 | ||||
| 240 | K | 62.9 | Low | 56.3 | Low | 201 Ų | 201 | 147.2 Ų | 147.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -150.1 | 93.4 | 154.3 | -59.8 | -164.4 | -174.6 | -159.9 | 0 | 111.5 | G238 | G238-K240 PolarHBondContact O-N 3.09Š| ||
| 241 | E | 54.4 | Low | 56.5 | Low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -19.9 | 129.1 | 144.7 | -165.8 | 178.1 | -176.3 | 0 | 0 | 115.5 | ||||
| 242 | A | 61.5 | Low | 57 | Low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -158.6 | 97.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 243 | I | 61.8 | Low | 56.9 | Low | 127 Ų | 127 | 148.3 Ų | 148.3 | 65% | 0.651 | 83% | 0.831 | S | S | * | * | trans | -39.5 | 129.1 | 160.1 | -61.3 | 157.7 | 0 | 0 | 0 | 111.5 | ||||
| 244 | R | 63.4 | Low | 56.8 | Low | 232 Ų | 232 | 150.1 Ų | 150.1 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | trans | -140.4 | 97.8 | 146.9 | -72.5 | -165 | -173.1 | -174.5 | 2.3 | 110.4 | ||||
| 245 | N | 50.9 | Low | 57.1 | Low | 152 Ų | 152 | 154.8 Ų | 154.8 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | -58.3 | 141.8 | 149 | -72.2 | -25.9 | 0 | 0 | 0 | 108.7 | ||||
| 246 | T | 56.6 | Low | 57.3 | Low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -135 | 147.7 | 164.5 | 8.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 247 | P | 69 | Low | 57.9 | Low | 200 Ų | 200 | 154 Ų | 154 | 100% | 1.299 | 85% | 0.845 | S | S | * | * | trans | -76.1 | 0 | -151.9 | 31.6 | -37.2 | 0 | 0 | 0 | 115.2 |
Retrieved 247 of 247 residues in 385 ms
(Link to these results)