| 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 | 49.1 | Very low | 52.7 | Low | 250 Ų | 250 | 139.5 Ų | 139.5 | 100% | 1.232 | 75% | 0.746 | S | S | * | * | 0 | 148.7 | 0 | -65.8 | 170.3 | 179.1 | 0 | 0 | 106.8 | |||||
| 2 | A | 46.1 | Very low | 52.7 | Low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -117.1 | -127.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | N | 50.9 | Low | 52.3 | Low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | 68.7 | 55.7 | 167.3 | -54.2 | -6.6 | 0 | 0 | 0 | 117.8 | ||||
| 4 | K | 56.9 | Low | 52.2 | Low | 208 Ų | 208 | 139.3 Ų | 139.3 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -131.7 | 8.9 | 166 | -84.2 | -170.2 | 174.7 | 177.6 | 0 | 116 | ||||
| 5 | T | 49.4 | Very low | 51.9 | Low | 126 Ų | 126 | 142.4 Ų | 142.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -96.9 | -32.4 | -171.6 | -35.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | D | 55.5 | Low | 51.3 | Low | 113 Ų | 113 | 139.7 Ų | 139.7 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -82 | -30.2 | -155.9 | -154.8 | 17.3 | 0 | 0 | 0 | 114.9 | K8 A9 M10 | D6-K8 PolarHBondContact O-N 3.19Å; D6-K8 VanDerWaalsContact O-N 3.14Å; D6-A9 PolarHBondContact O-N 3.42Å; D6-M10 PolarHBondContact O-N 3.04Å |
| 7 | V | 57.1 | Low | 50.5 | Low | 111 Ų | 111 | 136.5 Ų | 136.5 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -58.8 | -32.2 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | M10 M11 | V7-M10 WeakPolarHBondContact O-CB 3.4Å; V7-M10 PolarHBondContact O-N 2.61Å; V7-M11 PolarHBondContact O-N 2.7Å |
| 8 | K | 53.1 | Low | 49.6 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -76.5 | -29.8 | 179.1 | -165.9 | 174.2 | -178.7 | -177.3 | 0 | 112.9 | D6 M10 | D6-K8 PolarHBondContact O-N 3.19Å; D6-K8 VanDerWaalsContact O-N 3.14Å; K8-M10 VanDerWaalsContact C-N 3.35Å |
| 9 | A | 53.6 | Low | 48.8 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 48% | 0.479 | 76% | 0.759 | S | S | . | * | H | α-helix | trans | -70.3 | -36.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D6 M11 A12 | D6-A9 PolarHBondContact O-N 3.42Å; A9-M11 VanDerWaalsContact C-N 3.31Å; A9-M11 PolarHBondContact O-N 3.36Å; A9-A12 PolarHBondContact O-N 3.06Å; A9-A12 VanDerWaalsContact O-N 3.11Å |
| 10 | M | 53.4 | Low | 48.1 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 41% | 0.414 | 76% | 0.759 | S | S | . | * | H | α-helix | trans | -62.7 | -32.1 | -177.8 | -145.7 | 174.5 | -64.4 | 0 | 0 | 114.1 | D6 V7 K8 | D6-M10 PolarHBondContact O-N 3.04Å; V7-M10 WeakPolarHBondContact O-CB 3.4Å; V7-M10 PolarHBondContact O-N 2.61Å; K8-M10 VanDerWaalsContact C-N 3.35Å |
| 11 | M | 54.8 | Low | 47.7 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -19.2 | 175.8 | -65.6 | -174.1 | 108.5 | 0 | 0 | 113.9 | V7 A9 | V7-M11 PolarHBondContact O-N 2.7Å; A9-M11 VanDerWaalsContact C-N 3.31Å; A9-M11 PolarHBondContact O-N 3.36Å |
| 12 | A | 52.7 | Low | 46.9 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -77.6 | -21.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A9 F14 | A9-A12 PolarHBondContact O-N 3.06Å; A9-A12 VanDerWaalsContact O-N 3.11Å; A12-F14 PolarHBondContact O-N 3.3Å |
| 13 | R | 48 | Very low | 46.3 | Very low | 167 Ų | 167 | 129 Ų | 129 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -88.3 | 7.1 | -173.9 | 68.8 | 169.4 | -177.4 | -117.8 | 1.5 | 115.9 | ||
| 14 | F | 49.9 | Very low | 45.5 | Very low | 170 Ų | 170 | 126 Ų | 126 | 75% | 0.746 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -116.5 | 14.2 | -174.6 | -95.4 | -76.3 | 0 | 0 | 0 | 114.3 | A12 | A12-F14 PolarHBondContact O-N 3.3Š|
| 15 | Q | 48.1 | Very low | 44.3 | Very low | 186 Ų | 186 | 122.2 Ų | 122.2 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -129.1 | 38.1 | 176.6 | -65.5 | -171.7 | 28.1 | 0 | 0 | 112.8 | ||
| 16 | A | 42.6 | Very low | 44.5 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -138.1 | 99.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | G | 37.3 | Very low | 43.5 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | -152.1 | 113.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | G | 34.5 | Very low | 42.3 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 151.5 | 121.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | A | 35.2 | Very low | 41.4 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 59.4 | 132.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 20 | S | 34.4 | Very low | 41 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | 80.2 | 88.9 | 30.6 | -170.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 21 | V | 39.1 | Very low | 39.9 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | -170.5 | 149.8 | 114.1 | -88.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 22 | D | 32.9 | Very low | 39.5 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 14.3 | 136 | 154.7 | -99.2 | -154.1 | 0 | 0 | 0 | 125.6 | ||||
| 23 | D | 32.4 | Very low | 38.3 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | 81.9 | 144.9 | 127.2 | -154.3 | -123.2 | 0 | 0 | 0 | 125 | |||||
| 24 | S | 34 | Very low | 37.5 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 52.7 | 112.5 | 157.8 | -73.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 25 | T | 33.3 | Very low | 36.7 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -86.6 | 174.1 | 154.2 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | P | 53.3 | Low | 36.5 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -135.8 | -153.5 | -22.4 | 29.4 | -4.9 | 0 | 0 | 0 | 112.9 | ||||
| 27 | V | 33.9 | Very low | 36 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 96.9 | 125.1 | 161.6 | -173.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 28 | G | 31.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 161.3 | 98.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 29 | R | 33.4 | Very low | 35.6 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -120.1 | 168 | 178.4 | -148.2 | -167.9 | 179 | -169.5 | 3.7 | 108.3 | ||||
| 30 | P | 45.2 | Very low | 35.5 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | -126 | 173.2 | -65.8 | 38 | -25.4 | 0 | 0 | 0 | 114.7 | |||||
| 31 | K | 31.7 | Very low | 35.4 | Very low | 196 Ų | 196 | 131.2 Ų | 131.2 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 173.6 | 149.8 | -84 | 178.8 | 179.3 | -178.2 | 0 | 117.2 | ||||
| 32 | P | 45.7 | Very low | 36.2 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -132.7 | -157.3 | -40.6 | 39 | -21.8 | 0 | 0 | 0 | 111.4 | ||||
| 33 | S | 27.4 | Very low | 36.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 72.7 | 163.5 | 164.5 | 86.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 34 | L | 32.1 | Very low | 36.3 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | cis | -158.5 | 178 | -27.1 | -110.8 | 170.9 | 0 | 0 | 0 | 106 | ||||
| 35 | Q | 31.8 | Very low | 36.4 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -100.7 | -170.4 | 168.1 | -40.8 | -172.9 | -23.2 | 0 | 0 | 109.8 | ||||
| 36 | P | 43.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | cis | -135.9 | 170.9 | -23.7 | 32 | -12.7 | 0 | 0 | 0 | 114.8 | ||||
| 37 | T | 33.3 | Very low | 36 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 63.4 | 159.9 | 148.1 | 49 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 38 | L | 31.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 70 | 166.9 | 169.5 | -50.9 | -174.6 | 0 | 0 | 0 | 115.9 | ||||
| 39 | S | 31 | Very low | 36.5 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -176.3 | 130.5 | -39.4 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | S | 34.6 | Very low | 36.4 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 63.6 | 150.1 | 168.5 | -165 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 41 | G | 32 | Very low | 35.5 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -96.2 | -145.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | P | 55.7 | Low | 35.6 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | cis | -141.2 | -175.8 | 11.6 | 43.7 | -25.9 | 0 | 0 | 0 | 116.6 | ||||
| 43 | G | 31.9 | Very low | 35 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 168.7 | 139.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 44 | I | 35 | Very low | 35.3 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 89.2 | 97.4 | 145.1 | -54.7 | 177.5 | 0 | 0 | 0 | 121.6 | ||||
| 45 | Q | 35.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 53.2 | 115.9 | 127.9 | -58.7 | -74.9 | -14.7 | 0 | 0 | 123.5 | |||||
| 46 | K | 34.8 | Very low | 35.4 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | -178.2 | 163 | 99.8 | -94.5 | 171.5 | -174.9 | 178.4 | 0 | 112.1 | |||||
| 47 | K | 43.4 | Very low | 34.7 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -119.4 | 172.6 | -179.8 | -50.8 | -175.9 | 178.6 | -178.1 | 0 | 111.5 | ||||
| 48 | P | 46.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | -140 | 159.3 | 77.1 | 41.7 | -27.3 | 0 | 0 | 0 | 116.3 | |||||
| 49 | V | 30.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 60.8 | 135.5 | 131.1 | 167.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 50 | L | 31.6 | Very low | 34.8 | Very low | 138 Ų | 138 | 128 Ų | 128 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | cis | -146.8 | 179.1 | 3.1 | -151.8 | 74.1 | 0 | 0 | 0 | 112.6 | ||||
| 51 | E | 27.1 | Very low | 34.8 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -41.8 | 161.6 | 167.6 | -71.7 | 144.7 | 87.3 | 0 | 0 | 118.1 | ||||
| 52 | S | 32.7 | Very low | 35.6 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | cis | 89.4 | 156.6 | 29.1 | -60.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 53 | L | 32.4 | Very low | 34.6 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 95.3 | 129.4 | -170 | -57.3 | 168.4 | 0 | 0 | 0 | 113.3 | ||||
| 54 | S | 34.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | 80.3 | 125.5 | 38.4 | -164.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 55 | G | 33.3 | Very low | 36.4 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | cis | 170.6 | -164.5 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 56 | S | 32.4 | Very low | 36.3 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 134.4 | 168.8 | -159.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 57 | A | 30.2 | Very low | 37.1 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 163.8 | 94.7 | 133.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 58 | I | 34.9 | Very low | 36.4 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 27.8 | 138.4 | 141 | 54.6 | 169.1 | 0 | 0 | 0 | 126.2 | ||||
| 59 | N | 31.6 | Very low | 35.5 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 102.6 | 113.2 | 137.3 | -70.1 | -11.1 | 0 | 0 | 0 | 124.9 | ||||
| 60 | C | 29.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 130 Ų | 130 | 69% | 0.689 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 107.3 | 130.1 | -62.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 61 | T | 35.9 | Very low | 36.1 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | 37.2 | 159.8 | 118.5 | 59.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 62 | P | 47.6 | Very low | 36.2 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -123.3 | 145.7 | 6.3 | 10 | 16.9 | 0 | 0 | 0 | 114.8 | ||||
| 63 | K | 35.3 | Very low | 36 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | 84.4 | 155.3 | 86.3 | -81.6 | -165.8 | 172.3 | 178.8 | 0 | 117.4 | |||||
| 64 | P | 56.6 | Low | 35.9 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -118.5 | -147.8 | -156.5 | 44.2 | -27.8 | 0 | 0 | 0 | 111.8 | ||||
| 65 | P | 48.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -140 | -161.4 | -5 | 39.1 | -15.3 | 0 | 0 | 0 | 116.5 | ||||
| 66 | F | 34.3 | Very low | 35.5 | Very low | 197 Ų | 197 | 132.9 Ų | 132.9 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -46.7 | 172.1 | 161.1 | -58.2 | -86.1 | 0 | 0 | 0 | 114.8 | ||||
| 67 | P | 51.5 | Low | 35.4 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | -142.5 | -170 | 11.6 | 26.9 | 0.3 | 0 | 0 | 0 | 117.1 | ||||
| 68 | K | 28.4 | Very low | 35.3 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 108 | 146.6 | 146.2 | -58.5 | 177.2 | -176.9 | 174.2 | 0 | 120.2 | ||||
| 69 | S | 28.2 | Very low | 35.1 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 76.8 | 119.3 | 148 | -61.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 70 | T | 32.2 | Very low | 35 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -54.2 | 166.9 | 141.7 | 11.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 71 | P | 42.4 | Very low | 35.4 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -144.8 | -171.3 | 17.4 | 36.3 | -12.3 | 0 | 0 | 0 | 117.6 | ||||
| 72 | L | 28.1 | Very low | 36 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 89.3 | 124 | 134.1 | -144.8 | 62.3 | 0 | 0 | 0 | 122.7 | ||||
| 73 | I | 28.8 | Very low | 35 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | 89.1 | 127.5 | 138.8 | -97.5 | 173.8 | 0 | 0 | 0 | 123.8 | ||||
| 74 | K | 30.4 | Very low | 35 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | trans | 64 | 138.8 | 151.8 | -66.6 | 169.6 | -161 | 173.3 | 0 | 118.5 | ||||
| 75 | S | 30.5 | Very low | 34 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 66 | 136.8 | 64.7 | -38.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 76 | D | 27.6 | Very low | 33.4 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | cis | -161.2 | 163.1 | 13.8 | -163.7 | -122.5 | 0 | 0 | 0 | 111.2 | ||||
| 77 | S | 30.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 57.4 | 170.4 | 168.5 | -79.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 78 | D | 28.2 | Very low | 33 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | cis | -161.1 | 157.9 | -32.3 | 175.2 | -132.8 | 0 | 0 | 0 | 108.6 | ||||
| 79 | A | 31.5 | Very low | 33.2 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | 53.6 | 147.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 80 | H | 30.2 | Very low | 33.6 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | cis | -152 | 169.5 | 26.4 | -174.8 | -88.2 | 0 | 0 | 0 | 112.7 | ||||
| 81 | E | 38.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 55% | 0.551 | 75% | 0.747 | S | S | * | * | trans | -63.7 | 161.3 | -178.2 | -125 | -159.2 | 71.9 | 0 | 0 | 116.3 | N83 | E81-N83 WeakPolarHBondContact OE1-CA 3.22Å; E81-N83 WeakPolarHBondContact OE1-CB 3.03Å; E81-N83 PolarHBondContact OE1-N 3.25Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å | ||
| 82 | P | 48 | Very low | 33.3 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -139.8 | 129.8 | 74.1 | 36.5 | -19.4 | 0 | 0 | 0 | 119.2 | |||||
| 83 | N | 26.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | trans | 26.2 | 123.6 | 140.2 | -118.4 | -78.5 | 0 | 0 | 0 | 122.7 | E81 | E81-N83 WeakPolarHBondContact OE1-CA 3.22Å; E81-N83 WeakPolarHBondContact OE1-CB 3.03Å; E81-N83 PolarHBondContact OE1-N 3.25Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å | ||
| 84 | K | 34.2 | Very low | 33.5 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | -172.1 | 159.2 | 99.8 | -102.2 | 169.5 | -176.2 | 176.4 | 0 | 114.5 | |||||
| 85 | A | 37.2 | Very low | 33.5 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 66.1 | 98 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 86 | K | 34.2 | Very low | 33.6 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -107 | 161.8 | 164.9 | -84.9 | -175 | 176.2 | 176.3 | 0 | 111.4 | ||||
| 87 | A | 35.2 | Very low | 33.8 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -98.7 | 177 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 88 | L | 42.2 | Very low | 33.8 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 115.8 | 163.9 | -71.8 | 165.5 | 0 | 0 | 0 | 120.5 | ||||
| 89 | A | 33.3 | Very low | 33.8 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | -166 | 129 | 129.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 90 | N | 35.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | cis | 85 | 133.4 | 42.6 | -173.3 | 36.3 | 0 | 0 | 0 | 113.8 | ||||
| 91 | K | 38.4 | Very low | 33.7 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 73% | 0.726 | 76% | 0.756 | S | S | * | * | trans | 165.2 | 113.3 | 142.8 | -83.4 | 142.1 | -153.3 | -70 | 0 | 114.3 | ||||
| 92 | F | 30.5 | Very low | 33.3 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 40.2 | 156.4 | 133.3 | -50 | -65.6 | 0 | 0 | 0 | 124 | ||||
| 93 | A | 31.4 | Very low | 32.6 | Very low | 75 Ų | 75 | 138 Ų | 138 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | cis | -178.1 | 163.4 | -22.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 94 | N | 29.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 152.6 | 161.3 | -66 | -4.9 | 0 | 0 | 0 | 118.2 | ||||
| 95 | S | 30.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -154.3 | 171.6 | 1.5 | -156.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 96 | L | 32.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 115.9 | 124.5 | 141.4 | -155.2 | 67.8 | 0 | 0 | 0 | 118.2 | ||||
| 97 | D | 32.4 | Very low | 33.3 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 37.9 | 125.9 | 163.5 | -50 | -17.7 | 0 | 0 | 0 | 120.2 | ||||
| 98 | D | 30.1 | Very low | 32.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | 93.2 | 106.3 | 31 | -164.3 | 11.2 | 0 | 0 | 0 | 115.4 | ||||
| 99 | T | 28.5 | Very low | 32.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -167.9 | 125.4 | 132.1 | -76.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 100 | A | 29.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -98.6 | 154.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 101 | T | 29.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -145.4 | 130 | 154.1 | -70 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 102 | N | 30.3 | Very low | 31.4 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -141.7 | 112 | -176.9 | -135.3 | -75 | 0 | 0 | 0 | 109.8 | ||||
| 103 | R | 33.5 | Very low | 31.7 | Very low | 218 Ų | 218 | 134.5 Ų | 134.5 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | trans | 62.7 | -179.1 | 157.8 | -63.1 | 171.7 | -174.4 | -100.8 | 3 | 116.6 | ||||
| 104 | P | 53.8 | Low | 31.4 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -115.6 | -154.3 | -41.3 | 27.8 | -7.3 | 0 | 0 | 0 | 109.4 | ||||
| 105 | P | 30.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -138.7 | 174 | 79.8 | 37.5 | -22.1 | 0 | 0 | 0 | 114.4 | |||||
| 106 | V | 31.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -143.4 | 159 | 172.8 | -171.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 107 | F | 30.8 | Very low | 30.8 | Very low | 177 Ų | 177 | 142 Ų | 142 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 77.8 | 155.6 | 171.6 | -60.7 | -65.5 | 0 | 0 | 0 | 116.4 | ||||
| 108 | N | 26.7 | Very low | 30.5 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -152.3 | 158.3 | 1 | -132.3 | -26.6 | 0 | 0 | 0 | 116.1 | ||||
| 109 | K | 26.8 | Very low | 30.5 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 22.6 | 131.8 | 145.3 | -85.1 | -175.7 | 171.4 | -175.7 | 0 | 123.9 | ||||
| 110 | V | 28.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 71.6 | 121.9 | 125.8 | 177.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 111 | Q | 28.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -127.5 | 140.1 | 126.6 | -72.2 | -170.1 | 7.9 | 0 | 0 | 110.4 | |||||
| 112 | T | 35 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -126.9 | 152.4 | 152.1 | 49.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 113 | P | 35.6 | Very low | 29.9 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -145.7 | 144.3 | 109.1 | 36 | -20.9 | 0 | 0 | 0 | 115.8 | |||||
| 114 | L | 26.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 55.3 | 102.5 | 133.9 | -163.3 | 73.3 | 0 | 0 | 0 | 120 | ||||
| 115 | K | 26.8 | Very low | 28.9 | Very low | 213 Ų | 213 | 142.3 Ų | 142.3 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | -148.1 | 146.4 | 116.6 | -118.1 | 173.9 | -175.7 | 178.1 | 0 | 111.2 | |||||
| 116 | S | 26.7 | Very low | 28.8 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -144.8 | 125.1 | -168.2 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 117 | Q | 25.6 | Very low | 28.6 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -149.3 | 114.8 | 154.6 | -98.3 | 162.8 | -99.7 | 0 | 0 | 104.4 | ||||
| 118 | F | 27.4 | Very low | 28.7 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | 74.5 | 133.1 | 58.9 | -153 | -83.2 | 0 | 0 | 0 | 112.5 | |||||
| 119 | S | 29.2 | Very low | 28.9 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 152.3 | -158.7 | -41.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 120 | Q | 26.4 | Very low | 29 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -144.9 | 150.3 | 138.7 | -140 | 168 | 18 | 0 | 0 | 112.1 | ||||
| 121 | A | 25.2 | Very low | 29 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -143.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 122 | A | 28.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 155.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 123 | E | 25.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -129.4 | -131.8 | 2.1 | -152.9 | -156.9 | 29.2 | 0 | 0 | 113.4 | K125 | E123-K125 WeakPolarHBondContact OE1-CE 3.44Å; E123-K125 IonicContact OE1-NZ 2.66Å; E123-K125 PolarHBondContact OE1-NZ 2.98Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 2.61Å; E123-K125 PolarHBondContact OE2-NZ 2.65Å | ||
| 124 | A | 33.5 | Very low | 29 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -146.6 | -155.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 125 | K | 31.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -154.9 | 169.5 | 37.7 | -67.2 | 160.3 | 175.6 | 126.5 | 0 | 108.7 | E123 | E123-K125 WeakPolarHBondContact OE1-CE 3.44Å; E123-K125 IonicContact OE1-NZ 2.66Å; E123-K125 PolarHBondContact OE1-NZ 2.98Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 2.61Å; E123-K125 PolarHBondContact OE2-NZ 2.65Å | ||
| 126 | G | 28.9 | Very low | 30.9 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | cis | -169.7 | -161.1 | 8.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 127 | S | 27.5 | Very low | 32.1 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | -164.6 | 176.9 | 10.7 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | I | 32.4 | Very low | 32.4 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 71.3 | 149.7 | 166.6 | -60.2 | 161.8 | 0 | 0 | 0 | 116.7 | ||||
| 129 | Q | 30.8 | Very low | 32.4 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | -166 | 157.5 | -58.9 | -134.3 | -168 | 18.9 | 0 | 0 | 110.1 | |||||
| 130 | K | 29.5 | Very low | 32.4 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | 83.4 | 128.3 | 157.3 | -68.5 | 162.2 | 175.6 | 160.8 | 0 | 121.1 | ||||
| 131 | T | 27.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -90.2 | 178.7 | 157.7 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 132 | P | 41.7 | Very low | 32.9 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | -159 | 170.5 | 51.4 | 45.9 | -23 | 0 | 0 | 0 | 121 | |||||
| 133 | F | 28.6 | Very low | 33.8 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | 52.1 | 147.4 | 140.4 | -93.4 | -103.1 | 0 | 0 | 0 | 126.4 | ||||
| 134 | N | 27.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 103 | 160.1 | 139.5 | -114 | -31 | 0 | 0 | 0 | 123.3 | ||||
| 135 | K | 36.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -160.1 | 175.5 | -170.5 | -77.9 | -167.5 | -177.1 | -176.9 | 0 | 110.5 | ||||
| 136 | P | 58.6 | Low | 33.8 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | cis | -135.9 | -8.7 | -27.9 | 29.8 | -10.4 | 0 | 0 | 0 | 123.2 | ||||
| 137 | P | 49.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | -124.8 | 166 | -126.5 | 42.2 | -28.3 | 0 | 0 | 0 | 120.5 | |||||
| 138 | V | 33.8 | Very low | 35 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 63 | 151.3 | 159.7 | -64.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 139 | N | 27.1 | Very low | 35.2 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -147.7 | 135.3 | 4.7 | -123.4 | 1.5 | 0 | 0 | 0 | 108.6 | ||||
| 140 | S | 28.7 | Very low | 35.7 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | 100.7 | 124.5 | 71.7 | -179 | 0 | 0 | 0 | 0 | 115 | |||||
| 141 | T | 28.3 | Very low | 35.9 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -176 | 146.6 | 141.4 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 142 | L | 34 | Very low | 36.7 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -143.7 | 152.6 | 174.8 | -120.7 | 165.3 | 0 | 0 | 0 | 107.7 | ||||
| 143 | P | 47.1 | Very low | 36.4 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -156.3 | 155.2 | 90.2 | 40.7 | -20.8 | 0 | 0 | 0 | 119.1 | |||||
| 144 | E | 26.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 58.1 | 119.5 | 134.4 | -69.9 | -141.1 | 59.5 | 0 | 0 | 128.3 | ||||
| 145 | T | 31.3 | Very low | 36.7 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | 66.4 | 105.2 | 123.6 | 64.5 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 146 | K | 32.2 | Very low | 36.5 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | 70.3 | 172 | 129.9 | -62.5 | -178.6 | 177.8 | 172.9 | 0 | 119.3 | |||||
| 147 | P | 53.5 | Low | 35.4 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | -135.1 | -164.6 | -72.2 | 40.8 | -21.8 | 0 | 0 | 0 | 114.5 | |||||
| 148 | V | 28.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | 119.1 | 149.1 | 159.8 | -177.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 149 | F | 37.3 | Very low | 34.4 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 77% | 0.768 | 77% | 0.768 | S | S | * | * | trans | -85.6 | 162.3 | -172.5 | -115.7 | -119.7 | 0 | 0 | 0 | 113.3 | K151 | F149-K151 HydrophobicContact CD1-CB 4.07Å; F149-K151 HydrophobicContact CE1-CB 4.37Å | ||
| 150 | P | 40.4 | Very low | 34.8 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -152.1 | 125.6 | 79.4 | 37.2 | -16 | 0 | 0 | 0 | 119.3 | |||||
| 151 | K | 33.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | 25.1 | 133.1 | 122 | -162.8 | 174.3 | -173.6 | 178.4 | 0 | 121.1 | F149 | F149-K151 HydrophobicContact CD1-CB 4.07Å; F149-K151 HydrophobicContact CE1-CB 4.37Å | |||
| 152 | P | 45.8 | Very low | 34.9 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -90.6 | 161.2 | 170.1 | 37.9 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 153 | P | 35.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 157.5 | 155.4 | 34.7 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 154 | G | 30.3 | Very low | 34.4 | Very low | 67 Ų | 67 | 145 Ų | 145 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | cis | 108.2 | 82.3 | 12.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | A | 32.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | 64.4 | 136.4 | 82.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 156 | L | 31.7 | Very low | 35 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | cis | -157.5 | 157.4 | 42 | -74.2 | 161.8 | 0 | 0 | 0 | 115.1 | ||||
| 157 | N | 34.8 | Very low | 35.1 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -23.9 | 144.3 | 149 | 178.1 | 14 | 0 | 0 | 0 | 118.9 | ||||
| 158 | T | 31.7 | Very low | 34 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | -179.1 | 161 | 130 | -75.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 159 | K | 31.2 | Very low | 34.3 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 168.1 | -166.4 | -58 | 170.7 | -179.5 | 175.1 | 0 | 119.3 | ||||
| 160 | H | 36.8 | Very low | 34.1 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -32.8 | 144.5 | 169.3 | -37 | -102.4 | 0 | 0 | 0 | 119.3 | ||||
| 161 | S | 29.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 170.3 | 128.2 | 117.4 | -175.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 162 | W | 29.6 | Very low | 34 | Very low | 223 Ų | 223 | 132.6 Ų | 132.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 16.5 | 122.7 | 149.7 | -170.6 | -71.4 | 0 | 0 | 0 | 122.4 | ||||
| 163 | M | 30.4 | Very low | 34.4 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -169.6 | -176 | 134.4 | 41.7 | -155.4 | 133.9 | 0 | 0 | 112.8 | ||||
| 164 | K | 39.2 | Very low | 34.6 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -146.8 | 166.1 | -140.7 | -172 | -179.5 | 176.2 | -117.2 | 0 | 114.3 | ||||
| 165 | E | 32.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | 76.4 | 150.6 | 164.3 | -97.9 | 146.7 | 96.7 | 0 | 0 | 117.3 | ||||
| 166 | D | 37.1 | Very low | 34.8 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -159.1 | 174.6 | 4.6 | -171.7 | -124.2 | 0 | 0 | 0 | 114.7 | ||||
| 167 | S | 35.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 91.3 | 141.9 | 150.3 | -88.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 168 | G | 30.3 | Very low | 35.9 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -102.7 | -149 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 169 | G | 33.6 | Very low | 37.4 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | cis | 168.3 | 158.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 170 | G | 34.4 | Very low | 38.6 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 106.7 | 152.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 171 | T | 32.2 | Very low | 38.4 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | cis | -154.1 | -173 | 5 | -10.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | T | 39.5 | Very low | 38.9 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -95.5 | -167.5 | -164 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 173 | P | 54.5 | Low | 39.6 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -147.9 | 168 | 4.5 | 44.7 | -24.3 | 0 | 0 | 0 | 121.7 | ||||
| 174 | N | 39.1 | Very low | 39.5 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 58.2 | 155.1 | 148.7 | -109.3 | -4.4 | 0 | 0 | 0 | 122.7 | ||||
| 175 | T | 35.7 | Very low | 39.4 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -139.2 | 163.6 | 3.5 | 35.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 176 | G | 31.7 | Very low | 39.6 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -88 | -164.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 177 | P | 48 | Very low | 39.5 | Very low | 133 Ų | 133 | 123 Ų | 123 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | -125.8 | -155.1 | 53 | 41.7 | -29 | 0 | 0 | 0 | 116.9 | |||||
| 178 | T | 41.3 | Very low | 39.4 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -153.3 | -167.1 | -144.6 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 179 | P | 64.1 | Low | 40.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -126.9 | -135.1 | -48.3 | 34.9 | -13.2 | 0 | 0 | 0 | 109.3 | ||||
| 180 | P | 55.8 | Low | 41.4 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -130.1 | 178.8 | -27.6 | 38.2 | -19.9 | 0 | 0 | 0 | 114.7 | ||||
| 181 | K | 31.4 | Very low | 41.2 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | cis | -159.1 | 152.2 | -26.8 | -109.8 | -177.8 | 175 | 178.8 | 0 | 111.2 | ||||
| 182 | T | 40.5 | Very low | 41 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -125.7 | 174.3 | 158.4 | 66.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 183 | P | 44.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -133.4 | -155.9 | 67 | 36.1 | -14.7 | 0 | 0 | 0 | 110.8 | |||||
| 184 | N | 29.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -155.7 | 171.3 | 7.9 | -163.3 | 19.5 | 0 | 0 | 0 | 111.8 | ||||
| 185 | L | 35.4 | Very low | 39.3 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | -152.9 | 151.4 | -179.2 | -150.5 | 83.6 | 0 | 0 | 0 | 113.1 | ||||
| 186 | H | 36.9 | Very low | 39.2 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 65.6 | 161.8 | 156.5 | -78.4 | 10.8 | 0 | 0 | 0 | 118.6 | ||||
| 187 | Q | 35.2 | Very low | 38.9 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | cis | -152.6 | -174.3 | -18.2 | -120 | -165 | 108.2 | 0 | 0 | 113.4 | ||||
| 188 | K | 33.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -80.1 | -172.2 | -172.1 | -63.1 | 169.2 | -179.2 | 167.9 | 0 | 115 | ||||
| 189 | P | 61.4 | Low | 37.7 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -130.1 | 169.4 | -45.2 | 34.1 | -17.2 | 0 | 0 | 0 | 114.6 | ||||
| 190 | P | 45.4 | Very low | 36 | Very low | 133 Ų | 133 | 145 Ų | 145 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | -144.4 | -179.8 | 112.1 | 38.4 | -23.9 | 0 | 0 | 0 | 113.5 | |||||
| 191 | G | 29.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 146.7 Ų | 146.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | cis | 157.5 | 96.3 | -13.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 192 | S | 28.6 | Very low | 34.6 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 44.8 | 110 | 165.1 | 174.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 193 | V | 31.2 | Very low | 34.1 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | -177.9 | 137.3 | 114.2 | -89.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 194 | L | 31.7 | Very low | 33.2 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 49.9 | 113.5 | 129.2 | -158 | 72.6 | 0 | 0 | 0 | 123.8 | |||||
| 195 | K | 34.4 | Very low | 33 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 62.3 | 111.3 | 146.1 | -68.7 | 173.9 | -178.2 | 175.5 | 0 | 122.3 | ||||
| 196 | M | 32.5 | Very low | 32.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | -166.5 | 139.6 | 120.1 | -100 | 165.1 | 176.1 | 0 | 0 | 105.4 | |||||
| 197 | W | 27 | Very low | 32.1 | Very low | 223 Ų | 223 | 145 Ų | 145 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | cis | 67.8 | 105.2 | 24.7 | -90.8 | 74.7 | 0 | 0 | 0 | 116.4 | ||||
| 198 | Q | 33.5 | Very low | 32 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 84.1 | 148.8 | 152.6 | -137.1 | 66.3 | 54.1 | 0 | 0 | 120.2 | ||||
| 199 | Q | 30.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | 68.7 | 124.7 | 170.9 | -86.6 | 166.1 | -75.5 | 0 | 0 | 117.9 | ||||
| 200 | N | 28.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | cis | 84.7 | 133.6 | 19.9 | -158.9 | 63.8 | 0 | 0 | 0 | 116.2 | ||||
| 201 | E | 28.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | 64.8 | 116 | 178.1 | -78.2 | 160.8 | 115.8 | 0 | 0 | 114.7 | ||||
| 202 | E | 27.7 | Very low | 29.7 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | 80.3 | 137.4 | 76.5 | -91 | -162 | 42.6 | 0 | 0 | 112.9 | |||||
| 203 | Q | 30.3 | Very low | 30 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -122.4 | -158.4 | -6.1 | -61.7 | -172.1 | -7.7 | 0 | 0 | 108.4 | ||||
| 204 | S | 25.8 | Very low | 30.7 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | -175.8 | 156.5 | 25.9 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 205 | E | 26.6 | Very low | 30.5 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | 66.7 | 154.3 | 157.6 | -69.4 | -162.5 | 136.4 | 0 | 0 | 118.5 | K207 | E205-K207 IonicContact OE1-NZ 3.24Å; E205-K207 PolarHBondContact OE1-NZ 2.91Å | ||
| 206 | T | 25.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -156.7 | 169.7 | -6.9 | 30.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 207 | K | 27.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | cis | -169.2 | 98 | -34.8 | -96.2 | 174.8 | -160.7 | 128.9 | 0 | 108.6 | E205 | E205-K207 IonicContact OE1-NZ 3.24Å; E205-K207 PolarHBondContact OE1-NZ 2.91Å | ||
| 208 | T | 32 | Very low | 31.6 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -153 | 121.2 | 161.9 | 38.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 209 | D | 27.2 | Very low | 31.6 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 89.7 | 127.5 | 65 | -99.6 | -109 | 0 | 0 | 0 | 112.7 | |||||
| 210 | T | 32 | Very low | 31.6 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | cis | -161.5 | 166.3 | -4.9 | -7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 211 | V | 30.3 | Very low | 32 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 68.7 | 135.6 | 153.4 | 167.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 212 | N | 31.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | cis | -140.3 | -166.1 | 20.8 | -143 | -25.5 | 0 | 0 | 0 | 114.6 | ||||
| 213 | K | 36.3 | Very low | 33.1 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -155.5 | 167.9 | -154.9 | 170.5 | -178 | 175.1 | -174.4 | 0 | 110.7 | ||||
| 214 | P | 44.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | -129.6 | 175.9 | -19.5 | 35 | -16 | 0 | 0 | 0 | 116.9 | ||||
| 215 | S | 29.5 | Very low | 35.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -6.1 | 175.1 | 131.7 | -118.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 216 | P | 54.8 | Low | 35.2 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -142.8 | -161.9 | 3.3 | 31.1 | -4.6 | 0 | 0 | 0 | 116.4 | ||||
| 217 | Q | 32.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 99.7 | 145.8 | 155.9 | -60.9 | -168.4 | -10.4 | 0 | 0 | 119.5 | ||||
| 218 | A | 30 | Very low | 36 | Very low | 70 Ų | 70 | 136 Ų | 136 | 58% | 0.579 | 77% | 0.769 | S | S | * | * | cis | -168.4 | 171.2 | -23.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 219 | F | 31.5 | Very low | 35.9 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 140.8 | 160.1 | -61.7 | -65.8 | 0 | 0 | 0 | 121.5 | ||||
| 220 | T | 31.4 | Very low | 36.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -122.3 | 168.9 | -173.6 | 51 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 221 | A | 36.3 | Very low | 37.3 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 104.5 | 157.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 222 | P | 44.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | cis | -119.4 | -156.7 | 4.4 | 40.8 | -25.5 | 0 | 0 | 0 | 114.8 | ||||
| 223 | K | 34.1 | Very low | 37.8 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -107.8 | -153.6 | -165.3 | -49.2 | 179.6 | 179.6 | 175.8 | 0 | 113.2 | ||||
| 224 | P | 57.8 | Low | 38.1 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -109.9 | -161 | -137.5 | 35.4 | -11.6 | 0 | 0 | 0 | 112.3 | ||||
| 225 | P | 42.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | -155.3 | 167.5 | 90.9 | 40.4 | -21.6 | 0 | 0 | 0 | 118.2 | |||||
| 226 | T | 28.2 | Very low | 38.3 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 65.1 | 151.6 | 146.4 | 45 | 0 | 0 | 0 | 0 | 123 | ||||
| 227 | N | 36.8 | Very low | 37.7 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -96.1 | 179 | 177.8 | -78 | -61.4 | 0 | 0 | 0 | 113 | ||||
| 228 | F | 32.7 | Very low | 38.3 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 105 | 161.2 | -75.5 | -80.3 | 0 | 0 | 0 | 119.3 | ||||
| 229 | K | 30.3 | Very low | 39 | Very low | 203 Ų | 203 | 147 Ų | 147 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | -172.1 | 154.7 | 90 | -95.4 | 173.4 | -176 | 180 | 0 | 111.3 | |||||
| 230 | N | 45.2 | Very low | 39.4 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -122.5 | 134 | 167.9 | 179.3 | 20.6 | 0 | 0 | 0 | 108.5 | ||||
| 231 | A | 43.2 | Very low | 40.4 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 64.9 | 158.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 232 | Q | 34 | Very low | 40.5 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -138.5 | 153.6 | 8.5 | -103 | -156.3 | 11.8 | 0 | 0 | 114.1 | ||||
| 233 | S | 37.6 | Very low | 40.3 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 49% | 0.49 | 76% | 0.763 | S | S | . | * | trans | 58.7 | 110.9 | 137.8 | -150.4 | 0 | 0 | 0 | 0 | 121.6 | F235 | S233-F235 PolarHBondContact O-N 3.31Å; S233-F235 VanDerWaalsContact OG-C 3.23Å; S233-F235 WeakPolarHBondContact OG-CA 3.36Å; S233-F235 PolarHBondContact OG-N 2.91Å; S233-F235 PolarHBondContact OG-O 3.27Å | ||
| 234 | L | 43.9 | Very low | 40.6 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 98% | 0.979 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -83.1 | 44.7 | 146.8 | -105.7 | 176.5 | 0 | 0 | 0 | 111.8 | ||
| 235 | F | 37.1 | Very low | 39.7 | Very low | 165 Ų | 165 | 145 Ų | 145 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -156.8 | 98.5 | 157.1 | -140.5 | -108.2 | 0 | 0 | 0 | 110.6 | S233 | S233-F235 PolarHBondContact O-N 3.31Å; S233-F235 VanDerWaalsContact OG-C 3.23Å; S233-F235 WeakPolarHBondContact OG-CA 3.36Å; S233-F235 PolarHBondContact OG-N 2.91Å; S233-F235 PolarHBondContact OG-O 3.27Å |
| 236 | N | 40.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 66.6 | 88.8 | 162.7 | -58.9 | -17.4 | 0 | 0 | 0 | 121.8 | ||||
| 237 | K | 42.8 | Very low | 39.9 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 81.4 | 98.6 | 110.7 | -155.8 | 167.6 | -175 | 173 | 0 | 122.9 | |||||
| 238 | E | 44.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 163.3 | 146.8 | -64 | -177.5 | 75.1 | 0 | 0 | 119.7 | ||||
| 239 | K | 44 | Very low | 39.9 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 70% | 0.7 | 77% | 0.768 | S | S | * | * | cis | -142.1 | -114.2 | 4.4 | -144.2 | -168.1 | -178.6 | 75 | 0 | 118.8 | ||||
| 240 | D | 39.3 | Very low | 40.3 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -119.9 | 169 | -152.4 | -90.8 | -62.6 | 0 | 0 | 0 | 117.1 | ||||
| 241 | P | 53.4 | Low | 39.8 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -132.9 | -165.7 | -156.2 | 46.5 | -31.6 | 0 | 0 | 0 | 119.2 | ||||
| 242 | S | 37.8 | Very low | 39.4 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -158.9 | 178.9 | 172.8 | -164.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 243 | E | 41.1 | Very low | 40.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -133.5 | -164.3 | -174.4 | -62.1 | -171.2 | 19.6 | 0 | 0 | 113 | ||||
| 244 | Q | 39.4 | Very low | 41 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | cis | -157.3 | -151.8 | 12.7 | -151 | 162.6 | 72.1 | 0 | 0 | 113.4 | ||||
| 245 | T | 39.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -151.3 | -167.9 | -160 | -15.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 246 | E | 41 | Very low | 40.3 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 97.9 | 159.6 | 158.4 | -56.8 | -141.4 | 153.2 | 0 | 0 | 121 | ||||
| 247 | S | 34.7 | Very low | 40 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -167.4 | 173.3 | -28.1 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 248 | G | 32.7 | Very low | 39.7 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 159.1 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 249 | G | 35.7 | Very low | 39.1 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | 170.1 | 142.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 250 | V | 38.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -167.1 | 166.4 | -167.7 | 64.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 251 | N | 34.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | 103 | 151.7 | 162.9 | -67.9 | -48.5 | 0 | 0 | 0 | 120.1 | ||||
| 252 | K | 35 | Very low | 38.7 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | cis | -161.6 | -50.6 | -30.4 | -129.9 | 174.1 | -152.5 | 133.3 | 0 | 122.6 | ||||
| 253 | P | 49.5 | Very low | 39.6 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -103.5 | 166.1 | -143.4 | 21.4 | -9.7 | 0 | 0 | 0 | 121.9 | ||||
| 254 | P | 55 | Low | 39.3 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -126.1 | -152 | -171 | 47.5 | -35.8 | 0 | 0 | 0 | 118.5 | ||||
| 255 | F | 35.4 | Very low | 38.8 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | 98 | 164.6 | 174.6 | -47.4 | -59.3 | 0 | 0 | 0 | 117 | ||||
| 256 | T | 31.4 | Very low | 39.2 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | cis | -161.4 | 152.9 | 13.3 | -24.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 257 | A | 33.8 | Very low | 39.7 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | 41.2 | 136.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 128.4 | ||||
| 258 | V | 38.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 125 Ų | 125 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | 67.7 | 169.4 | 159.7 | -57 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 259 | N | 32.1 | Very low | 39.8 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | cis | -152.8 | -171 | 11.2 | -156.2 | -4.7 | 0 | 0 | 0 | 114.3 | ||||
| 260 | A | 34.3 | Very low | 39.7 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -122.4 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 261 | T | 36.7 | Very low | 39.7 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -83.5 | -169.6 | -164.1 | 20.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 262 | P | 56.6 | Low | 40.1 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -127.7 | -128.7 | 1.4 | 41.5 | -20.1 | 0 | 0 | 0 | 112.7 | ||||
| 263 | P | 55.8 | Low | 40.4 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | cis | -129.1 | -179.3 | -43.2 | 38.5 | -21.4 | 0 | 0 | 0 | 115.7 | ||||
| 264 | Q | 35.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 157.7 | 176.8 | 140.6 | -76.8 | -104.3 | 2.6 | 0 | 0 | 115.3 | ||||
| 265 | K | 29.5 | Very low | 39.2 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -152 | -162.9 | -151.5 | -126.7 | -171.5 | 158.4 | -177.7 | 0 | 113.3 | ||||
| 266 | P | 46.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | -117 | -115.7 | -79 | 28.7 | -3.9 | 0 | 0 | 0 | 118.8 | |||||
| 267 | P | 52 | Low | 40 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | -143.2 | -176.2 | -111.1 | 47.7 | -28.8 | 0 | 0 | 0 | 121.2 | |||||
| 268 | A | 34.8 | Very low | 40.2 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 86.5 | 164.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 269 | H | 35.3 | Very low | 40.2 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 132.4 | 103.6 | 137 | -59.7 | -53 | 0 | 0 | 0 | 119.1 | ||||
| 270 | K | 34 | Very low | 40.1 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | 59.5 | 136.8 | 136.8 | -61.5 | -180 | 178.3 | 177.6 | 0 | 122.9 | ||||
| 271 | K | 38.1 | Very low | 40.3 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 164.9 | 159 | -58.3 | 176.5 | -178.7 | 175.6 | 0 | 110.8 | ||||
| 272 | P | 41.5 | Very low | 40.1 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -134.2 | -168 | 104.9 | 38.6 | -29 | 0 | 0 | 0 | 113.8 | |||||
| 273 | S | 42.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -128.9 | 152.3 | -168.5 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 274 | L | 37.4 | Very low | 37.9 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -147.8 | 150 | 166.3 | -163.1 | 58.1 | 0 | 0 | 0 | 112.3 | ||||
| 275 | K | 42.5 | Very low | 37.8 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -91.6 | 169.9 | -173.5 | -58 | -179.6 | -178.8 | 179.6 | 0 | 112.5 | ||||
| 276 | K | 40.3 | Very low | 38 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -122.9 | 156.8 | 166.1 | -91.6 | -173.3 | 174.6 | -178.4 | 0 | 112.1 | ||||
| 277 | P | 42.6 | Very low | 37.6 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -93.8 | -169 | -166.2 | 39.1 | -38.5 | 0 | 0 | 0 | 114.6 | ||||
| 278 | S | 38.1 | Very low | 36.8 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | -134.7 | 177 | -166.9 | 63 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 279 | K | 37.7 | Very low | 37 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 92% | 0.922 | 84% | 0.838 | S | S | * | * | trans | 78.1 | 150.7 | -176.6 | -57.3 | -176.5 | 177.5 | -178.2 | 0 | 115 | ||||
| 280 | G | 30.4 | Very low | 37.3 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | cis | -146.1 | -168.5 | 6.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 281 | T | 38.3 | Very low | 38.2 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -117.8 | 154 | -162.1 | 48.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 282 | A | 32.4 | Very low | 38.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -140.4 | 154.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 283 | Q | 35.5 | Very low | 39.2 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -105.1 | 156.3 | -167.1 | -68.6 | 179.3 | -38.3 | 0 | 0 | 114.4 | ||||
| 284 | A | 31.3 | Very low | 39.8 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -146.5 | 134.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 285 | N | 32.6 | Very low | 40.3 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -74 | 153.6 | 172.1 | -64.2 | -22.1 | 0 | 0 | 0 | 110 | ||||
| 286 | G | 33.5 | Very low | 40.9 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | cis | 145.4 | 119.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | I | 38.3 | Very low | 42 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | trans | -153.8 | 132.3 | 162.4 | 26.3 | 171.8 | 0 | 0 | 0 | 108.2 | ||||
| 288 | N | 35.6 | Very low | 43.2 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 97% | 0.968 | 81% | 0.805 | S | S | * | * | trans | -84 | 143.1 | -179.4 | -84.4 | -57.4 | 0 | 0 | 0 | 111.9 | ||||
| 289 | G | 39.3 | Very low | 44.9 | Very low | 63 Ų | 63 | 136.9 Ų | 136.9 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -164.5 | 87.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 290 | D | 42 | Very low | 46.6 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 137 | -169.5 | -169.5 | 13 | 0 | 0 | 0 | 112.6 | ||||
| 291 | I | 53.4 | Low | 48.6 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 56% | 0.564 | 79% | 0.792 | S | S | * | * | trans | -143.4 | 120.9 | 177.7 | -57.6 | 180 | 0 | 0 | 0 | 108 | ||||
| 292 | P | 52.7 | Low | 50.3 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 144.5 | -177.3 | 25.8 | -34.3 | 0 | 0 | 0 | 112.6 | G294 | P292-G294 PolarHBondContact O-N 2.97Š| ||
| 293 | P | 47.8 | Very low | 52 | Low | 139 Ų | 139 | 131.9 Ų | 131.9 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 123 | -175.1 | 29.1 | -34.5 | 0 | 0 | 0 | 112 | ||
| 294 | G | 55.3 | Low | 53.5 | Low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.5 | -28.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P292 K296 | P292-G294 PolarHBondContact O-N 2.97Å; G294-K296 PolarHBondContact O-N 2.86Å |
| 295 | L | 46 | Very low | 55.4 | Low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -89.3 | 102.6 | -174.8 | -63.4 | 179.7 | 0 | 0 | 0 | 112.8 | R297 | L295-R297 PolarHBondContact O-N 2.99Š| ||
| 296 | K | 56 | Low | 57.1 | Low | 210 Ų | 210 | 127.4 Ų | 127.4 | 91% | 0.913 | 74% | 0.741 | S | S | * | * | trans | -65.7 | 96.2 | 166.3 | -69.7 | -172.9 | 179.6 | -178.7 | 0 | 110.1 | G294 | G294-K296 PolarHBondContact O-N 2.86Š| ||
| 297 | R | 64 | Low | 59.3 | Low | 187 Ų | 187 | 126.5 Ų | 126.5 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.4 | 164.6 | -64.5 | -174.8 | 178.6 | 105.3 | -2.3 | 108.8 | L295 | L295-R297 PolarHBondContact O-N 2.99Š|
| 298 | N | 68.3 | Low | 61.3 | Low | 150 Ų | 150 | 123.9 Ų | 123.9 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.2 | 164.1 | -68.2 | -11.7 | 0 | 0 | 0 | 108.4 | L300 | N298-L300 PolarHBondContact O-N 3.29Š|
| 299 | P | 72.4 | Confident | 63.4 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.4 | 174 | 26.3 | -33.8 | 0 | 0 | 0 | 109.5 | ||
| 300 | L | 73.9 | Confident | 65.2 | Low | 161 Ų | 161 | 123.8 Ų | 123.8 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.3 | 172.2 | -72.2 | 166.9 | 0 | 0 | 0 | 109.4 | N298 N302 | N298-L300 PolarHBondContact O-N 3.29Å; L300-N302 PolarHBondContact O-N 3.25Å |
| 301 | P | 72.3 | Confident | 67.2 | Low | 82 Ų | 82 | 120.8 Ų | 120.8 | 53% | 0.532 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 142.1 | 171.6 | 26.2 | -35.2 | 0 | 0 | 0 | 109.7 | S303 L306 | P301-S303 PolarHBondContact O-N 3.02Å; P301-L306 HydrophobicContact CG-CD2 3.91Å |
| 302 | N | 74.3 | Confident | 68.5 | Low | 99 Ų | 99 | 125 Ų | 125 | 53% | 0.529 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -49.1 | 135.2 | 179.6 | -177.2 | -15.6 | 0 | 0 | 0 | 110 | L300 L304 A305 | L300-N302 PolarHBondContact O-N 3.25Å; N302-L304 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact O-N 3.11Å; N302-L304 PolarHBondContact OD1-N 3.47Å; N302-L304 VanDerWaalsContact OD1-N 3.09Å; N302-A305 WeakPolarHBondContact O-CA 3.23Å; N302-A305 WeakPolarHBondContact O-CB 3.36Å; N302-A305 PolarHBondContact O-N 3.06Å |
| 303 | S | 66.8 | Low | 69.8 | Low | 90 Ų | 90 | 125.7 Ų | 125.7 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -57 | -28.1 | -179.9 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | P301 A305 L306 | P301-S303 PolarHBondContact O-N 3.02Å; S303-A305 PolarHBondContact O-N 3.12Å; S303-L306 PolarHBondContact O-N 3.28Å |
| 304 | L | 68.5 | Low | 71.3 | Confident | 152 Ų | 152 | 126.8 Ų | 126.8 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -65 | -21.2 | 172.7 | -59.1 | 177.6 | 0 | 0 | 0 | 113.7 | N302 | N302-L304 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact O-N 3.11Å; N302-L304 PolarHBondContact OD1-N 3.47Å; N302-L304 VanDerWaalsContact OD1-N 3.09Å |
| 305 | A | 71.1 | Confident | 72.4 | Confident | 78 Ų | 78 | 132.2 Ų | 132.2 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -95 | -2.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N302 S303 | N302-A305 WeakPolarHBondContact O-CA 3.23Å; N302-A305 WeakPolarHBondContact O-CB 3.36Å; N302-A305 PolarHBondContact O-N 3.06Å; S303-A305 PolarHBondContact O-N 3.12Å |
| 306 | L | 68.6 | Low | 73.9 | Confident | 123 Ų | 123 | 129.9 Ų | 129.9 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90 | -6.3 | 178.1 | -67.7 | 177.6 | 0 | 0 | 0 | 113.7 | P301 S303 | P301-L306 HydrophobicContact CG-CD2 3.91Å; S303-L306 PolarHBondContact O-N 3.28Å |
| 307 | G | 78.4 | Confident | 75.1 | Confident | 46 Ų | 46 | 125.4 Ų | 125.4 | 47% | 0.474 | 72% | 0.722 | S | S | . | * | trans | 71.6 | -178.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 308 | P | 81.7 | Confident | 75.6 | Confident | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -62.2 | 139.4 | 172.5 | -19.6 | 32.7 | 0 | 0 | 0 | 110.7 | ||
| 309 | P | 79.3 | Confident | 76 | Confident | 118 Ų | 118 | 123.9 Ų | 123.9 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 140.9 | 175 | 26.8 | -34.1 | 0 | 0 | 0 | 110.1 | ||
| 310 | P | 76.4 | Confident | 76.1 | Confident | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.2 | -179 | 24.9 | -34.2 | 0 | 0 | 0 | 111 | K312 | P310-K312 PolarHBondContact O-N 3.35Š|
| 311 | A | 83.3 | Confident | 76.2 | Confident | 98 Ų | 98 | 119.8 Ų | 119.8 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 312 | K | 81.1 | Confident | 76.2 | Confident | 197 Ų | 197 | 119.5 Ų | 119.5 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 130.3 | 178.1 | -66.1 | 177.8 | -178.4 | 175.4 | 0 | 108.6 | P310 | P310-K312 PolarHBondContact O-N 3.35Š|
| 313 | P | 80.8 | Confident | 75.7 | Confident | 123 Ų | 123 | 120.4 Ų | 120.4 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146.6 | 175.6 | 25.7 | -34.1 | 0 | 0 | 0 | 109.6 | R315 | P313-R315 PolarHBondContact O-N 3.21Š|
| 314 | N | 78.2 | Confident | 75.6 | Confident | 162 Ų | 162 | 121.8 Ų | 121.8 | 87% | 0.866 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.3 | -173.8 | -160.8 | -0.4 | 0 | 0 | 0 | 110.3 | ||
| 315 | R | 80.3 | Confident | 75.2 | Confident | 187 Ų | 187 | 121 Ų | 121 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.3 | -171.8 | -163 | -178.1 | -158.7 | -84.3 | 3.3 | 108.4 | P313 | P313-R315 PolarHBondContact O-N 3.21Š|
| 316 | P | 77.3 | Confident | 74.5 | Confident | 97 Ų | 97 | 126.4 Ų | 126.4 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 149.5 | 173.8 | 24.6 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 317 | P | 80.1 | Confident | 73.6 | Confident | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 145.6 | 177 | 23.8 | -33.9 | 0 | 0 | 0 | 109.8 | V319 | P317-V319 PolarHBondContact O-N 2.9Š|
| 318 | K | 75.9 | Confident | 72.3 | Confident | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -62.6 | 105.2 | 173.4 | -76.6 | -176.2 | 176.8 | -179.5 | 0 | 107.9 | D320 | K318-D320 PolarHBondContact O-N 3.25Š| ||
| 319 | V | 75.9 | Confident | 70.3 | Confident | 115 Ų | 115 | 130.7 Ų | 130.7 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | -64.4 | 120.8 | 163.6 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | P317 L321 | P317-V319 PolarHBondContact O-N 2.9Å; V319-L321 HydrophobicContact CG1-CD2 4.14Å | ||
| 320 | D | 74.8 | Confident | 68.2 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | trans | -73.9 | 128.6 | 172.2 | -167.9 | -11.2 | 0 | 0 | 0 | 109.1 | K318 D322 | K318-D320 PolarHBondContact O-N 3.25Å; D320-D322 WeakPolarHBondContact OD1-CB 3.45Å; D320-D322 PolarHBondContact OD1-N 3.29Å | ||
| 321 | L | 75.7 | Confident | 66.5 | Low | 94 Ų | 94 | 129.7 Ų | 129.7 | 49% | 0.492 | 71% | 0.71 | S | S | . | * | trans | -102.4 | -1.7 | -178.4 | -59 | 179.6 | 0 | 0 | 0 | 112.1 | V319 N323 I324 K325 | V319-L321 HydrophobicContact CG1-CD2 4.14Å; L321-N323 PolarHBondContact O-N 3.26Å; L321-I324 HydrophobicContact CD2-CD1 3.92Å; L321-I324 WeakPolarHBondContact O-CA 3.16Å; L321-I324 WeakPolarHBondContact O-CB 3.21Å; L321-I324 PolarHBondContact O-N 2.99Å; L321-K325 PolarHBondContact O-N 2.84Å | ||
| 322 | D | 71.3 | Confident | 64.4 | Low | 77 Ų | 77 | 134.2 Ų | 134.2 | 41% | 0.412 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -72.4 | -15.8 | -174.8 | -66.1 | -6.9 | 0 | 0 | 0 | 112.5 | D320 K325 | D320-D322 WeakPolarHBondContact OD1-CB 3.45Å; D320-D322 PolarHBondContact OD1-N 3.29Å; D322-K325 WeakPolarHBondContact OD1-CD 3.39Å; D322-K325 VanDerWaalsContact OD1-CE 3.23Å; D322-K325 WeakPolarHBondContact OD1-CE 3.38Å; D322-K325 IonicContact OD1-NZ 2.65Å; D322-K325 PolarHBondContact OD1-NZ 3.04Å |
| 323 | N | 64.3 | Low | 62.3 | Low | 118 Ų | 118 | 132.1 Ų | 132.1 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.6 | -27.1 | 165.3 | -68 | -28.8 | 0 | 0 | 0 | 113.2 | L321 | L321-N323 PolarHBondContact O-N 3.26Å |
| 324 | I | 64.5 | Low | 60.1 | Low | 118 Ų | 118 | 129.1 Ų | 129.1 | 61% | 0.605 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -89.5 | -36 | -179.5 | -63 | 163.5 | 0 | 0 | 0 | 110.3 | L321 R326 S327 | L321-I324 HydrophobicContact CD2-CD1 3.92Å; L321-I324 WeakPolarHBondContact O-CA 3.16Å; L321-I324 WeakPolarHBondContact O-CB 3.21Å; L321-I324 PolarHBondContact O-N 2.99Å; I324-R326 PolarHBondContact O-N 2.79Å; I324-S327 PolarHBondContact O-N 2.84Å |
| 325 | K | 60.8 | Low | 58.7 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 59% | 0.591 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.2 | -30.2 | 173 | -66.4 | 178.2 | -168.6 | 161.9 | 0 | 112.9 | L321 D322 S327 A328 | L321-K325 PolarHBondContact O-N 2.84Å; D322-K325 WeakPolarHBondContact OD1-CD 3.39Å; D322-K325 VanDerWaalsContact OD1-CE 3.23Å; D322-K325 WeakPolarHBondContact OD1-CE 3.38Å; D322-K325 IonicContact OD1-NZ 2.65Å; D322-K325 PolarHBondContact OD1-NZ 3.04Å; K325-S327 PolarHBondContact O-N 3.46Å; K325-A328 WeakPolarHBondContact O-CB 3.11Å; K325-A328 PolarHBondContact O-N 3.48Å |
| 326 | R | 56.3 | Low | 56.2 | Low | 191 Ų | 191 | 122 Ų | 122 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -0.5 | -178 | -142.8 | -178.8 | -59.1 | -159.2 | 3.5 | 114.8 | I324 | I324-R326 PolarHBondContact O-N 2.79Š|
| 327 | S | 48.4 | Very low | 54.1 | Low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 8 | 169.8 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | I324 K325 | I324-S327 PolarHBondContact O-N 2.84Å; K325-S327 PolarHBondContact O-N 3.46Å |
| 328 | A | 51.1 | Low | 52 | Low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -113.8 | 14.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | K325 | K325-A328 WeakPolarHBondContact O-CB 3.11Å; K325-A328 PolarHBondContact O-N 3.48Å |
| 329 | E | 41.5 | Very low | 50.1 | Low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -130.9 | 120.9 | -178.9 | -153.2 | 168.7 | 125.8 | 0 | 0 | 109.4 | ||||
| 330 | A | 35.1 | Very low | 48.5 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 146.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 331 | P | 39.1 | Very low | 46.4 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 149.4 | -169.3 | 30 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 332 | E | 39.6 | Very low | 45.4 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 138.9 | 165.4 | -165.9 | -157.2 | -146.8 | 0 | 0 | 110.4 | ||
| 333 | D | 37.8 | Very low | 43.6 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -162 | 139 | 160.9 | -160 | -69.2 | 0 | 0 | 0 | 106.5 | ||||
| 334 | G | 34.5 | Very low | 42 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | cis | -173.8 | -129.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 335 | P | 48.9 | Very low | 41.4 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -137.7 | -179.6 | -13.3 | 41.8 | -25.5 | 0 | 0 | 0 | 113.6 | ||||
| 336 | G | 27.8 | Very low | 40 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -168.4 | 114.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 337 | F | 33.7 | Very low | 38.7 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -22.1 | 149 | 166.9 | -65.2 | -102.4 | 0 | 0 | 0 | 118 | ||||
| 338 | K | 35.6 | Very low | 38.2 | Very low | 202 Ų | 202 | 132.1 Ų | 132.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | -160.4 | 170.7 | 55.7 | -71.5 | 172.8 | -173.5 | 175.6 | 0 | 114.1 | |||||
| 339 | K | 34.5 | Very low | 37.3 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -97.5 | 162.1 | 172.7 | -160.9 | 165.1 | 175.8 | -177.6 | 0 | 108.8 | ||||
| 340 | P | 43 | Very low | 36.8 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -147.1 | -175.7 | 32.1 | 45.1 | -23.3 | 0 | 0 | 0 | 120.7 | ||||
| 341 | T | 31.4 | Very low | 36.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | trans | -63.6 | -175.9 | 170.7 | 35.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 342 | P | 54.4 | Low | 36.7 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -139.1 | 164.2 | -22.7 | 32.4 | -13.2 | 0 | 0 | 0 | 116.5 | ||||
| 343 | V | 32.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | trans | -152.3 | 164.4 | 151.4 | -141.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 344 | A | 31.9 | Very low | 36.6 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -137 | -159.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 345 | P | 50.6 | Low | 36.4 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | -111.9 | -139.1 | -77.5 | 39.9 | -27.2 | 0 | 0 | 0 | 112 | |||||
| 346 | S | 31.4 | Very low | 35.7 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 122.9 | 175.9 | -98.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 347 | N | 30.6 | Very low | 36.1 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | 80.3 | 143.1 | 83.9 | -77.7 | -26.2 | 0 | 0 | 0 | 113.4 | |||||
| 348 | Q | 36.8 | Very low | 36.5 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -151.2 | -158.7 | -3.9 | -132 | -162.9 | 63.5 | 0 | 0 | 108.2 | ||||
| 349 | T | 32.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | cis | -148.3 | -161.4 | 12.3 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 350 | N | 32.3 | Very low | 36.9 | Very low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | trans | -104.9 | 169.6 | -174 | -50 | -80 | 0 | 0 | 0 | 114.2 | ||||
| 351 | H | 36.7 | Very low | 36.8 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | -152.8 | 146.8 | 128.5 | -90.9 | -71.2 | 0 | 0 | 0 | 110.6 | |||||
| 352 | A | 35.3 | Very low | 37.2 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -132 | -177.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 353 | P | 41.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -118.6 | -168.2 | 26.1 | 45.1 | -32.1 | 0 | 0 | 0 | 114.2 | ||||
| 354 | Q | 32.8 | Very low | 36.9 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | 82.7 | 148.2 | 16.1 | -120.1 | -170.5 | -105.7 | 0 | 0 | 116 | ||||
| 355 | T | 30.9 | Very low | 36.9 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | cis | -160.4 | 137.7 | 14.6 | -38.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 356 | Q | 33.6 | Very low | 36.7 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | 60.4 | 169 | 156.6 | -72.4 | 168.9 | 15.8 | 0 | 0 | 119.6 | ||||
| 357 | A | 35.5 | Very low | 36.6 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | cis | -150.3 | -162.9 | 26.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 358 | P | 42.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -118.4 | -169.2 | -146.3 | 47.3 | -40.8 | 0 | 0 | 0 | 118.4 | ||||
| 359 | P | 44.2 | Very low | 36.3 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -143.5 | 129.9 | 133.9 | 36.8 | -21 | 0 | 0 | 0 | 118.7 | ||||
| 360 | T | 34.3 | Very low | 36.1 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | 48.8 | 155.5 | 129 | -22.2 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 361 | L | 40.5 | Very low | 36.1 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -99.9 | 166.8 | -172.6 | -60.5 | 159.1 | 0 | 0 | 0 | 115.3 | ||||
| 362 | P | 40.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -108.7 | 150.1 | 152.9 | 37.3 | -29 | 0 | 0 | 0 | 114.1 | ||||
| 363 | P | 47.3 | Very low | 35.5 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -98.2 | -167.3 | 178.5 | 39.2 | -36.1 | 0 | 0 | 0 | 114.9 | ||||
| 364 | V | 34.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -137.3 | 124.1 | -151.8 | 163.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 365 | L | 32.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 58.4 | -179.2 | 154.4 | -63.9 | 174 | 0 | 0 | 0 | 118.2 | ||||
| 366 | P | 45.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -131.6 | 179 | -12.4 | 36.7 | -18.2 | 0 | 0 | 0 | 116.6 | ||||
| 367 | A | 29.6 | Very low | 35.9 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | trans | 83.5 | 117.3 | 134.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 368 | R | 29.8 | Very low | 36.3 | Very low | 219 Ų | 219 | 134.3 Ų | 134.3 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 88.2 | 133.1 | 118.2 | -78 | -174.7 | 171 | -179.2 | -3.7 | 123.7 | |||||
| 369 | H | 31.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | 75.2 | 134.1 | 148.2 | -72.1 | -138.6 | 0 | 0 | 0 | 116.7 | ||||
| 370 | V | 28.7 | Very low | 36.8 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | cis | 99.3 | 140 | 36.1 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 371 | A | 30.9 | Very low | 37.7 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | trans | 97 | 125.2 | -167 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 372 | M | 29.1 | Very low | 38.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | 71 | 128.5 | 54.8 | -73.8 | -175.5 | 158.5 | 0 | 0 | 112 | |||||
| 373 | N | 31.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | cis | -140.6 | -170.9 | 6.4 | -78.9 | -42.6 | 0 | 0 | 0 | 108.9 | ||||
| 374 | Q | 37.2 | Very low | 38.6 | Very low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | -156.9 | -168.3 | 16.9 | -148.8 | 138.3 | 54.3 | 0 | 0 | 112.3 | ||||
| 375 | S | 35.1 | Very low | 39 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -53.2 | 163.8 | 178.3 | 54 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 376 | D | 36.2 | Very low | 39.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | -154.9 | 179.5 | 58 | -95.2 | -68.1 | 0 | 0 | 0 | 117.3 | |||||
| 377 | D | 37.8 | Very low | 38.7 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -95.9 | 178.3 | -163.7 | -173.1 | -147.2 | 0 | 0 | 0 | 115.1 | ||||
| 378 | T | 43.5 | Very low | 39.2 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 76.4 | 157.8 | 167.1 | 40.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 379 | P | 46.5 | Very low | 40.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 166.2 | -150.8 | 37.9 | -38.1 | 0 | 0 | 0 | 116.3 | ||
| 380 | P | 52.1 | Low | 40.5 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 142 | 177.2 | 28.7 | -36 | 0 | 0 | 0 | 113.7 | ||
| 381 | P | 52.4 | Low | 40.9 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 163.6 | 178 | 34.6 | -36.4 | 0 | 0 | 0 | 113.6 | ||
| 382 | P | 54.9 | Low | 40.9 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 157.1 | 174.4 | 30.5 | -36 | 0 | 0 | 0 | 113.2 | ||
| 383 | P | 50.6 | Low | 41.7 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 156.2 | 179.9 | 28.7 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 384 | P | 41.7 | Very low | 42.1 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 143.7 | -160.3 | 32.6 | -36.6 | 0 | 0 | 0 | 115 | ||
| 385 | V | 42.1 | Very low | 42.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.6 | 151.6 | -81.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 386 | F | 34.5 | Very low | 43.2 | Very low | 200 Ų | 200 | 140 Ų | 140 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 142.8 | 169 | -139.4 | -89.5 | 0 | 0 | 0 | 109.1 | ||
| 387 | S | 37.8 | Very low | 43.1 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 50% | 0.497 | 77% | 0.765 | S | S | . | * | trans | -161.7 | 166.9 | -171.7 | -74.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 388 | H | 39.2 | Very low | 43.5 | Very low | 177 Ų | 177 | 140 Ų | 140 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | 80.7 | 161.4 | 163 | -47.7 | -52.6 | 0 | 0 | 0 | 117.5 | ||||
| 389 | P | 53.7 | Low | 43.7 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -142 | 173 | -37.6 | 35.1 | -18.2 | 0 | 0 | 0 | 115.7 | ||||
| 390 | S | 33.8 | Very low | 43.7 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 68.7 | 134.9 | 164.9 | -113.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 391 | Q | 38.7 | Very low | 43.3 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -162.1 | 174.5 | 7.1 | -136.6 | 175.6 | 103 | 0 | 0 | 106.9 | ||||
| 392 | R | 30.5 | Very low | 43.1 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -158 | 161.4 | 16.7 | -174.2 | 171.8 | 174.4 | 88.2 | 2.5 | 111.2 | ||||
| 393 | A | 45.6 | Very low | 42.5 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -65.7 | 136.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 394 | K | 39.3 | Very low | 42.6 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | -150.7 | 160.8 | 135.1 | -110.2 | -173.2 | 174.4 | -165.4 | 0 | 109.4 | ||||
| 395 | E | 49.3 | Very low | 42.7 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 172.8 | 178.1 | -64.3 | 143.5 | 117.6 | 0 | 0 | 111.8 | ||||
| 396 | E | 46.3 | Very low | 42.9 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 101.6 | 170.9 | -54.5 | 174 | 161.5 | 0 | 0 | 113.9 | ||||
| 397 | N | 34.6 | Very low | 43.7 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | -159.3 | 170.5 | 56.2 | -162.2 | 30.5 | 0 | 0 | 0 | 112.7 | D399 | N397-D399 PolarHBondContact ND2-OD2 3.24Å; N397-D399 PolarHBondContact OD1-OD2 3.45Å | |||
| 398 | D | 46.4 | Very low | 44.3 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -126.2 | 40.3 | -167.9 | -145.9 | 24.8 | 0 | 0 | 0 | 112.6 | ||||
| 399 | D | 46.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -129.1 | 15.6 | -165.4 | -72.7 | -50.9 | 0 | 0 | 0 | 115.6 | N397 | N397-D399 PolarHBondContact ND2-OD2 3.24Å; N397-D399 PolarHBondContact OD1-OD2 3.45Å | ||
| 400 | E | 48 | Very low | 45 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -114 | 4.6 | -174.4 | -77 | -170.6 | 178.3 | 0 | 0 | 116.3 | ||||
| 401 | D | 43.1 | Very low | 45.9 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -83.7 | -15.3 | -176.9 | -84.1 | -9.4 | 0 | 0 | 0 | 115.1 | ||
| 402 | E | 47.4 | Very low | 46.3 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -81.8 | -39 | -174.4 | -66.8 | -163.1 | 135.2 | 0 | 0 | 114.4 | V404 Y405 | E402-V404 VanDerWaalsContact C-N 3.28Å; E402-V404 PolarHBondContact O-N 3.1Å; E402-V404 VanDerWaalsContact O-N 3.16Å; E402-Y405 PolarHBondContact O-N 2.83Å; E402-Y405 VanDerWaalsContact O-N 3.09Å |
| 403 | E | 43.8 | Very low | 47.6 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -66.5 | -22.1 | -169.9 | -73.7 | -159.2 | -168.9 | 0 | 0 | 114.6 | Y405 | E403-Y405 VanDerWaalsContact C-N 3.35Å |
| 404 | V | 51.4 | Low | 48.1 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77 | -22.7 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | E402 | E402-V404 VanDerWaalsContact C-N 3.28Å; E402-V404 PolarHBondContact O-N 3.1Å; E402-V404 VanDerWaalsContact O-N 3.16Å |
| 405 | Y | 44.5 | Very low | 49 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82 | -30.4 | 175.4 | -101.3 | -89.4 | 0 | 0 | 0 | 112.8 | E402 E403 V408 E409 | E402-Y405 PolarHBondContact O-N 2.83Å; E402-Y405 VanDerWaalsContact O-N 3.09Å; E403-Y405 VanDerWaalsContact C-N 3.35Å; Y405-V408 PolarHBondContact O-N 2.96Å; Y405-E409 PolarHBondContact O-N 3.34Å |
| 406 | E | 47 | Very low | 49.8 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.5 | -48.5 | 179.3 | -67.4 | -147.7 | 140.3 | 0 | 0 | 112.7 | V408 E409 D410 | E406-V408 PolarHBondContact O-N 3.47Å; E406-E409 PolarHBondContact O-N 3.36Å; E406-D410 WeakPolarHBondContact O-CB 3.37Å; E406-D410 PolarHBondContact O-N 3.44Å |
| 407 | D | 50.8 | Low | 50.9 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.6 | -29.3 | 179.7 | -176.3 | 68.8 | 0 | 0 | 0 | 112.9 | R411 | D407-R411 WeakPolarHBondContact O-CB 3.32Å; D407-R411 PolarHBondContact O-N 3.49Å |
| 408 | V | 49.6 | Very low | 52.7 | Low | 75 Ų | 75 | 136 Ų | 136 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.4 | -49 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | Y405 E406 R411 W412 | Y405-V408 PolarHBondContact O-N 2.96Å; E406-V408 PolarHBondContact O-N 3.47Å; V408-R411 PolarHBondContact O-N 2.92Å; V408-W412 PolarHBondContact O-N 3.48Å |
| 409 | E | 52 | Low | 53.8 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.9 | -43.4 | -179.7 | -165.8 | 69.2 | -137.3 | 0 | 0 | 110.8 | Y405 E406 R411 W412 D413 | Y405-E409 PolarHBondContact O-N 3.34Å; E406-E409 PolarHBondContact O-N 3.36Å; E409-R411 VanDerWaalsContact C-N 3.26Å; E409-R411 PolarHBondContact O-N 3.01Å; E409-W412 CarbonylContact O-C 3.54Å; E409-W412 PolarHBondContact O-N 2.57Å; E409-W412 VanDerWaalsContact O-N 3.1Å; E409-D413 PolarHBondContact O-N 3.37Å |
| 410 | D | 55.1 | Low | 55.2 | Low | 102 Ų | 102 | 132 Ų | 132 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.2 | -30.9 | 178.7 | -153.8 | 26.9 | 0 | 0 | 0 | 111.4 | E406 Q414 | E406-D410 WeakPolarHBondContact O-CB 3.37Å; E406-D410 PolarHBondContact O-N 3.44Å; D410-Q414 VanDerWaalsContact O-CB 3.23Å; D410-Q414 WeakPolarHBondContact O-CB 3.41Å; D410-Q414 VanDerWaalsContact O-CG 3.23Å; D410-Q414 WeakPolarHBondContact O-CG 3.43Å; D410-Q414 PolarHBondContact O-N 3.29Å |
| 411 | R | 52.6 | Low | 56.9 | Low | 180 Ų | 180 | 130.7 Ų | 130.7 | 68% | 0.679 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.3 | -42 | 170.4 | -178.9 | 170.6 | 178.1 | 163.3 | -3.3 | 112.9 | D407 V408 E409 E415 | D407-R411 WeakPolarHBondContact O-CB 3.32Å; D407-R411 PolarHBondContact O-N 3.49Å; V408-R411 PolarHBondContact O-N 2.92Å; E409-R411 VanDerWaalsContact C-N 3.26Å; E409-R411 PolarHBondContact O-N 3.01Å; R411-E415 WeakPolarHBondContact O-CB 3.3Å; R411-E415 PolarHBondContact O-N 2.9Å |
| 412 | W | 48.8 | Very low | 58.7 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -38.7 | 173.5 | -89.6 | 90.6 | 0 | 0 | 0 | 112.1 | V408 E409 E415 K416 | V408-W412 PolarHBondContact O-N 3.48Å; E409-W412 CarbonylContact O-C 3.54Å; E409-W412 PolarHBondContact O-N 2.57Å; E409-W412 VanDerWaalsContact O-N 3.1Å; W412-E415 PolarHBondContact O-N 2.93Å; W412-K416 VanDerWaalsContact O-CB 3.28Å; W412-K416 WeakPolarHBondContact O-CB 3.25Å; W412-K416 PolarHBondContact O-N 2.86Å |
| 413 | D | 58.2 | Low | 60.4 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78.7 | -29.4 | 179.2 | -123.3 | 30.2 | 0 | 0 | 0 | 112.2 | E409 K416 K417 | E409-D413 PolarHBondContact O-N 3.37Å; D413-K416 IonicContact OD1-NZ 2.94Å; D413-K416 PolarHBondContact OD1-NZ 2.77Å; D413-K417 WeakPolarHBondContact O-CB 3.21Å; D413-K417 PolarHBondContact O-N 3.1Å |
| 414 | Q | 55.4 | Low | 62.3 | Low | 126 Ų | 126 | 124.5 Ų | 124.5 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.1 | -43.8 | 164.1 | -81.7 | -173.2 | 46.1 | 0 | 0 | 112.1 | D410 K418 | D410-Q414 VanDerWaalsContact O-CB 3.23Å; D410-Q414 WeakPolarHBondContact O-CB 3.41Å; D410-Q414 VanDerWaalsContact O-CG 3.23Å; D410-Q414 WeakPolarHBondContact O-CG 3.43Å; D410-Q414 PolarHBondContact O-N 3.29Å; Q414-K418 WeakPolarHBondContact O-CB 3.34Å; Q414-K418 PolarHBondContact O-N 2.81Å |
| 415 | E | 58.6 | Low | 63.7 | Low | 95 Ų | 95 | 126.1 Ų | 126.1 | 44% | 0.444 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -48.7 | 175.7 | -170.9 | 120.3 | -101.3 | 0 | 0 | 110.9 | R411 W412 K417 K418 D419 | R411-E415 WeakPolarHBondContact O-CB 3.3Å; R411-E415 PolarHBondContact O-N 2.9Å; W412-E415 PolarHBondContact O-N 2.93Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.04Å; E415-K418 CarbonylContact O-C 3.48Å; E415-K418 WeakPolarHBondContact O-CB 3.5Å; E415-K418 PolarHBondContact O-N 2.75Å; E415-K418 VanDerWaalsContact O-N 3.14Å; E415-K418 IonicContact OE1-NZ 2.63Å; E415-K418 PolarHBondContact OE1-NZ 2.89Å; E415-D419 PolarHBondContact O-N 2.8Å |
| 416 | K | 66 | Low | 65.3 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.2 | -43.3 | 176.1 | -166.5 | -165.9 | -78.9 | 109.9 | 0 | 111.9 | W412 D413 D419 D420 | W412-K416 VanDerWaalsContact O-CB 3.28Å; W412-K416 WeakPolarHBondContact O-CB 3.25Å; W412-K416 PolarHBondContact O-N 2.86Å; D413-K416 IonicContact OD1-NZ 2.94Å; D413-K416 PolarHBondContact OD1-NZ 2.77Å; K416-D419 PolarHBondContact O-N 2.73Å; K416-D420 WeakPolarHBondContact O-CB 3.32Å; K416-D420 PolarHBondContact O-N 3.07Å |
| 417 | K | 69.8 | Low | 66.5 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.8 | -25.3 | 179 | -173.6 | 177.6 | -170.1 | 170.5 | 0 | 113.5 | D413 E415 K421 | D413-K417 WeakPolarHBondContact O-CB 3.21Å; D413-K417 PolarHBondContact O-N 3.1Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.04Å; K417-K421 WeakPolarHBondContact O-CB 3.49Å |
| 418 | K | 72.3 | Confident | 68 | Low | 117 Ų | 117 | 124 Ų | 124 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.7 | -41.5 | 169.6 | 166.2 | -173.4 | 151.2 | -144.7 | 0 | 110.4 | Q414 E415 K421 E422 | Q414-K418 WeakPolarHBondContact O-CB 3.34Å; Q414-K418 PolarHBondContact O-N 2.81Å; E415-K418 CarbonylContact O-C 3.48Å; E415-K418 WeakPolarHBondContact O-CB 3.5Å; E415-K418 PolarHBondContact O-N 2.75Å; E415-K418 VanDerWaalsContact O-N 3.14Å; E415-K418 IonicContact OE1-NZ 2.63Å; E415-K418 PolarHBondContact OE1-NZ 2.89Å; K418-K421 CarbonylContact O-C 3.56Å; K418-K421 WeakPolarHBondContact O-CB 3.29Å; K418-K421 PolarHBondContact O-N 3.36Å; K418-E422 WeakPolarHBondContact O-CB 3.21Å; K418-E422 PolarHBondContact O-N 2.98Å |
| 419 | D | 68.6 | Low | 69.5 | Low | 89 Ų | 89 | 123 Ų | 123 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.1 | -39.9 | 177.1 | -83.3 | 10 | 0 | 0 | 0 | 112.9 | E415 K416 K421 E422 E423 | E415-D419 PolarHBondContact O-N 2.8Å; K416-D419 PolarHBondContact O-N 2.73Å; D419-K421 PolarHBondContact O-N 2.86Å; D419-E422 CarbonylContact O-C 3.55Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 2.79Å; D419-E422 VanDerWaalsContact O-N 3.12Å; D419-E423 WeakPolarHBondContact O-CB 3.2Å; D419-E423 PolarHBondContact O-N 3.12Å |
| 420 | D | 76.9 | Confident | 70.7 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56.7 | -35.8 | 170.1 | -114.4 | 38.2 | 0 | 0 | 0 | 111.4 | K416 K424 | K416-D420 WeakPolarHBondContact O-CB 3.32Å; K416-D420 PolarHBondContact O-N 3.07Å; D420-K424 WeakPolarHBondContact O-CB 3.22Å; D420-K424 PolarHBondContact O-N 2.82Å |
| 421 | K | 83.6 | Confident | 72.1 | Confident | 156 Ų | 156 | 120.3 Ų | 120.3 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.2 | -34.9 | 177.8 | -174.2 | -179.7 | 179.2 | -176.7 | 0 | 112 | K417 K418 D419 R425 | K417-K421 WeakPolarHBondContact O-CB 3.49Å; K418-K421 CarbonylContact O-C 3.56Å; K418-K421 WeakPolarHBondContact O-CB 3.29Å; K418-K421 PolarHBondContact O-N 3.36Å; D419-K421 PolarHBondContact O-N 2.86Å; K421-R425 WeakPolarHBondContact O-CB 3.47Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å |
| 422 | E | 81.3 | Confident | 73.6 | Confident | 83 Ų | 83 | 119.4 Ų | 119.4 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -50.9 | 172.2 | -173.8 | 74.2 | -150.1 | 0 | 0 | 110.8 | K418 D419 R425 R426 | K418-E422 WeakPolarHBondContact O-CB 3.21Å; K418-E422 PolarHBondContact O-N 2.98Å; D419-E422 CarbonylContact O-C 3.55Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 2.79Å; D419-E422 VanDerWaalsContact O-N 3.12Å; E422-R425 VanDerWaalsContact CD-NH1 3.28Å; E422-R425 VanDerWaalsContact CD-NH2 3.26Å; E422-R425 WeakPolarHBondContact O-CB 3.33Å; E422-R425 PolarHBondContact O-N 2.91Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.94Å; E422-R425 IonicContact OE1-NH2 2.63Å; E422-R425 PolarHBondContact OE1-NH2 3.15Å; E422-R425 IonicContact OE2-CZ 3.22Å; E422-R425 IonicContact OE2-NH1 3.31Å; E422-R425 PolarHBondContact OE2-NH1 2.67Å; E422-R425 IonicContact OE2-NH2 2.68Å; E422-R425 PolarHBondContact OE2-NH2 2.71Å; E422-R426 WeakPolarHBondContact O-CB 3.39Å; E422-R426 PolarHBondContact O-N 2.78Å |
| 423 | E | 81.8 | Confident | 75.3 | Confident | 120 Ų | 120 | 116.8 Ų | 116.8 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 178 | -168.3 | -173.9 | -137.1 | 0 | 0 | 110.7 | D419 R425 R426 L427 | D419-E423 WeakPolarHBondContact O-CB 3.2Å; D419-E423 PolarHBondContact O-N 3.12Å; E423-R425 VanDerWaalsContact C-N 3.27Å; E423-R425 PolarHBondContact O-N 3.19Å; E423-R426 CarbonylContact O-C 3.44Å; E423-R426 PolarHBondContact O-N 2.73Å; E423-R426 VanDerWaalsContact O-N 3.1Å; E423-L427 VanDerWaalsContact O-CB 3.26Å; E423-L427 WeakPolarHBondContact O-CB 3.28Å; E423-L427 PolarHBondContact O-N 2.79Å |
| 424 | K | 83.8 | Confident | 76.3 | Confident | 154 Ų | 154 | 118.8 Ų | 118.8 | 67% | 0.67 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -56.5 | -41.6 | 174 | -176.8 | 175 | -179.9 | 177.8 | 0 | 112 | D420 E428 | D420-K424 WeakPolarHBondContact O-CB 3.22Å; D420-K424 PolarHBondContact O-N 2.82Å; K424-E428 WeakPolarHBondContact O-CB 3.46Å; K424-E428 PolarHBondContact O-N 2.85Å |
| 425 | R | 80.6 | Confident | 77.6 | Confident | 147 Ų | 147 | 119.9 Ų | 119.9 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -43.5 | 174.6 | -169.1 | -176.8 | 82.9 | -117.9 | 1.9 | 111.8 | K421 E422 E423 A429 | K421-R425 WeakPolarHBondContact O-CB 3.47Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å; E422-R425 VanDerWaalsContact CD-NH1 3.28Å; E422-R425 VanDerWaalsContact CD-NH2 3.26Å; E422-R425 WeakPolarHBondContact O-CB 3.33Å; E422-R425 PolarHBondContact O-N 2.91Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.94Å; E422-R425 IonicContact OE1-NH2 2.63Å; E422-R425 PolarHBondContact OE1-NH2 3.15Å; E422-R425 IonicContact OE2-CZ 3.22Å; E422-R425 IonicContact OE2-NH1 3.31Å; E422-R425 PolarHBondContact OE2-NH1 2.67Å; E422-R425 IonicContact OE2-NH2 2.68Å; E422-R425 PolarHBondContact OE2-NH2 2.71Å; E423-R425 VanDerWaalsContact C-N 3.27Å; E423-R425 PolarHBondContact O-N 3.19Å; R425-A429 VanDerWaalsContact O-CB 3.31Å; R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 2.86Å |
| 426 | R | 78.6 | Confident | 78.7 | Confident | 191 Ų | 191 | 120 Ų | 120 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.8 | -38.2 | 179.2 | -179.7 | 177.9 | 170.1 | -169.2 | -4.8 | 112.4 | E422 E423 S430 | E422-R426 WeakPolarHBondContact O-CB 3.39Å; E422-R426 PolarHBondContact O-N 2.78Å; E423-R426 CarbonylContact O-C 3.44Å; E423-R426 PolarHBondContact O-N 2.73Å; E423-R426 VanDerWaalsContact O-N 3.1Å; R426-S430 VanDerWaalsContact O-CB 3.29Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.02Å |
| 427 | L | 72.9 | Confident | 79.3 | Confident | 67 Ų | 67 | 120.4 Ų | 120.4 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.7 | -36 | 178.8 | -154.5 | 162.5 | 0 | 0 | 0 | 110.9 | E423 K431 K633 | E423-L427 VanDerWaalsContact O-CB 3.26Å; E423-L427 WeakPolarHBondContact O-CB 3.28Å; E423-L427 PolarHBondContact O-N 2.79Å; L427-K431 VanDerWaalsContact O-CB 3.26Å; L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 PolarHBondContact O-N 2.88Å; L427-K633 VanDerWaalsContact CD1-NZ 3.3Å |
| 428 | E | 81.4 | Confident | 79.9 | Confident | 141 Ų | 141 | 117.7 Ų | 117.7 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 168.9 | -175 | 167 | -166.5 | 0 | 0 | 112 | K424 K431 K432 | K424-E428 WeakPolarHBondContact O-CB 3.46Å; K424-E428 PolarHBondContact O-N 2.85Å; E428-K431 PolarHBondContact O-N 3.46Å; E428-K432 WeakPolarHBondContact O-CB 3.16Å; E428-K432 PolarHBondContact O-N 2.74Å |
| 429 | A | 80.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 119.5 Ų | 119.5 | 44% | 0.438 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R425 K431 K432 E433 | R425-A429 VanDerWaalsContact O-CB 3.31Å; R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 2.86Å; A429-K431 VanDerWaalsContact C-N 3.34Å; A429-K431 PolarHBondContact O-N 2.91Å; A429-K432 WeakPolarHBondContact O-CB 3.48Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.12Å; A429-E433 WeakPolarHBondContact O-CB 3.46Å; A429-E433 PolarHBondContact O-N 3.06Å |
| 430 | S | 78.6 | Confident | 81.3 | Confident | 65 Ų | 65 | 118.8 Ų | 118.8 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | R426 K432 E433 Q434 | R426-S430 VanDerWaalsContact O-CB 3.29Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.02Å; S430-K432 VanDerWaalsContact C-N 3.33Å; S430-K432 PolarHBondContact O-N 2.82Å; S430-E433 PolarHBondContact O-N 3.15Å; S430-Q434 VanDerWaalsContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.94Å |
| 431 | K | 83.9 | Confident | 81.5 | Confident | 96 Ų | 96 | 115.4 Ų | 115.4 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 175.2 | -175.7 | 160.6 | -174.1 | 141.2 | 0 | 113.1 | L427 E428 A429 K435 | L427-K431 VanDerWaalsContact O-CB 3.26Å; L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 PolarHBondContact O-N 2.88Å; E428-K431 PolarHBondContact O-N 3.46Å; A429-K431 VanDerWaalsContact C-N 3.34Å; A429-K431 PolarHBondContact O-N 2.91Å; K431-K435 WeakPolarHBondContact O-CB 3.4Å; K431-K435 PolarHBondContact O-N 2.86Å |
| 432 | K | 84.8 | Confident | 81.5 | Confident | 161 Ų | 161 | 112.9 Ų | 112.9 | 70% | 0.7 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.6 | -42.6 | 172.9 | -179.3 | -173.9 | 173.7 | -169.9 | 0 | 111.2 | E428 A429 S430 K435 E436 | E428-K432 WeakPolarHBondContact O-CB 3.16Å; E428-K432 PolarHBondContact O-N 2.74Å; A429-K432 WeakPolarHBondContact O-CB 3.48Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.12Å; S430-K432 VanDerWaalsContact C-N 3.33Å; S430-K432 PolarHBondContact O-N 2.82Å; K432-K435 PolarHBondContact O-N 2.92Å; K432-E436 PolarHBondContact O-N 3.49Å; K432-E436 VanDerWaalsContact O-N 3.1Å |
| 433 | E | 83.9 | Confident | 81.6 | Confident | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -47.1 | 176.8 | -173.4 | -175 | 160.1 | 0 | 0 | 111.8 | A429 S430 K435 E436 R437 | A429-E433 WeakPolarHBondContact O-CB 3.46Å; A429-E433 PolarHBondContact O-N 3.06Å; S430-E433 PolarHBondContact O-N 3.15Å; E433-K435 VanDerWaalsContact C-N 3.28Å; E433-K435 PolarHBondContact O-N 3.16Å; E433-E436 CarbonylContact O-C 3.57Å; E433-E436 WeakPolarHBondContact O-CA 3.31Å; E433-E436 WeakPolarHBondContact O-CB 3.29Å; E433-E436 PolarHBondContact O-N 3.09Å; E433-R437 PolarHBondContact O-N 2.95Å |
| 434 | Q | 78.8 | Confident | 81.8 | Confident | 117 Ų | 117 | 108.7 Ų | 108.7 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.6 | -43.7 | 176 | -173 | -178 | 16.6 | 0 | 0 | 111.2 | S430 E436 R437 E438 | S430-Q434 VanDerWaalsContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.94Å; Q434-E436 VanDerWaalsContact C-N 3.32Å; Q434-E436 PolarHBondContact O-N 2.93Å; Q434-R437 WeakPolarHBondContact O-CB 3.38Å; Q434-R437 PolarHBondContact O-N 2.77Å; Q434-E438 WeakPolarHBondContact O-CB 3.39Å; Q434-E438 PolarHBondContact O-N 2.83Å |
| 435 | K | 82.3 | Confident | 81.7 | Confident | 149 Ų | 149 | 104.8 Ų | 104.8 | 65% | 0.648 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.2 | -29.5 | 175.1 | -175 | 171.9 | -177.9 | 172.4 | 0 | 113.3 | K431 K432 E433 K439 | K431-K435 WeakPolarHBondContact O-CB 3.4Å; K431-K435 PolarHBondContact O-N 2.86Å; K432-K435 PolarHBondContact O-N 2.92Å; E433-K435 VanDerWaalsContact C-N 3.28Å; E433-K435 PolarHBondContact O-N 3.16Å; K435-K439 WeakPolarHBondContact O-CB 3.31Å; K435-K439 PolarHBondContact O-N 2.77Å; K435-K439 VanDerWaalsContact O-N 3.15Å |
| 436 | E | 82.4 | Confident | 82 | Confident | 99 Ų | 99 | 106.6 Ų | 106.6 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.4 | -39.9 | 171.1 | -165.3 | -173.6 | 116.8 | 0 | 0 | 111.6 | K432 E433 Q434 K439 K440 | K432-E436 PolarHBondContact O-N 3.49Å; K432-E436 VanDerWaalsContact O-N 3.1Å; E433-E436 CarbonylContact O-C 3.57Å; E433-E436 WeakPolarHBondContact O-CA 3.31Å; E433-E436 WeakPolarHBondContact O-CB 3.29Å; E433-E436 PolarHBondContact O-N 3.09Å; Q434-E436 VanDerWaalsContact C-N 3.32Å; Q434-E436 PolarHBondContact O-N 2.93Å; E436-K439 PolarHBondContact O-N 2.99Å; E436-K440 HydrophobicContact CG-CD 4.38Å; E436-K440 WeakPolarHBondContact O-CB 3.47Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3Å; E436-K440 WeakPolarHBondContact OE1-CE 3.43Å; E436-K440 IonicContact OE1-NZ 3.16Å; E436-K440 PolarHBondContact OE1-NZ 2.82Å |
| 437 | R | 77.8 | Confident | 82.3 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 176.4 | -149.5 | -177.4 | -154.1 | -171.2 | 7.5 | 110.9 | E433 Q434 K439 K440 E441 T499 | E433-R437 PolarHBondContact O-N 2.95Å; Q434-R437 WeakPolarHBondContact O-CB 3.38Å; Q434-R437 PolarHBondContact O-N 2.77Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 3.04Å; R437-K440 WeakPolarHBondContact O-CB 3.46Å; R437-K440 PolarHBondContact O-N 3.08Å; R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 2.97Å; R437-T499 PolarHBondContact NH2-O 3.12Å |
| 438 | E | 82.5 | Confident | 82.9 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 171.7 | -171.8 | -155.5 | 156 | 0 | 0 | 111.1 | Q434 E441 Q442 | Q434-E438 WeakPolarHBondContact O-CB 3.39Å; Q434-E438 PolarHBondContact O-N 2.83Å; E438-E441 WeakPolarHBondContact O-CB 3.21Å; E438-E441 PolarHBondContact O-N 3.36Å; E438-Q442 VanDerWaalsContact O-CG 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.24Å |
| 439 | K | 86.6 | Confident | 83.1 | Confident | 154 Ų | 154 | 100.1 Ų | 100.1 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 176.3 | -175.8 | -164.7 | 169 | -160 | 0 | 112.4 | K435 E436 R437 E441 Q442 E443 | K435-K439 WeakPolarHBondContact O-CB 3.31Å; K435-K439 PolarHBondContact O-N 2.77Å; K435-K439 VanDerWaalsContact O-N 3.15Å; E436-K439 PolarHBondContact O-N 2.99Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 3.04Å; K439-E441 VanDerWaalsContact C-N 3.29Å; K439-Q442 PolarHBondContact O-N 3.31Å; K439-E443 PolarHBondContact O-N 2.65Å |
| 440 | K | 83.9 | Confident | 83.1 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 33% | 0.326 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.1 | -79.7 | 164.1 | 163.9 | 164.7 | 0 | 110.6 | E436 R437 E443 A444 | E436-K440 HydrophobicContact CG-CD 4.38Å; E436-K440 WeakPolarHBondContact O-CB 3.47Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3Å; E436-K440 WeakPolarHBondContact OE1-CE 3.43Å; E436-K440 IonicContact OE1-NZ 3.16Å; E436-K440 PolarHBondContact OE1-NZ 2.82Å; R437-K440 WeakPolarHBondContact O-CB 3.46Å; R437-K440 PolarHBondContact O-N 3.08Å; K440-E443 PolarHBondContact O-N 2.8Å; K440-A444 WeakPolarHBondContact O-CB 3.33Å; K440-A444 PolarHBondContact O-N 3.42Å |
| 441 | E | 81.9 | Confident | 82.4 | Confident | 44 Ų | 44 | 102.6 Ų | 102.6 | 21% | 0.206 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 175.8 | -169.4 | 179.5 | 146.8 | 0 | 0 | 112.1 | R437 E438 K439 E443 A444 R445 L454 I503 | R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 2.97Å; E438-E441 WeakPolarHBondContact O-CB 3.21Å; E438-E441 PolarHBondContact O-N 3.36Å; K439-E441 VanDerWaalsContact C-N 3.29Å; E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 3.3Å; E441-A444 CarbonylContact O-C 3.59Å; E441-A444 WeakPolarHBondContact O-CA 3.47Å; E441-A444 WeakPolarHBondContact O-CB 3.37Å; E441-A444 PolarHBondContact O-N 2.69Å; E441-A444 VanDerWaalsContact O-N 3.08Å; E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 WeakPolarHBondContact O-CG 3.02Å; E441-R445 PolarHBondContact O-N 2.99Å; E441-R445 IonicContact OE1-CZ 2.97Å; E441-R445 VanDerWaalsContact OE1-CZ 3.22Å; E441-R445 IonicContact OE1-NE 3.42Å; E441-R445 PolarHBondContact OE1-NE 2.79Å; E441-R445 IonicContact OE1-NH2 2.69Å; E441-R445 PolarHBondContact OE1-NH2 3.1Å; E441-L454 HydrophobicContact CG-CD1 3.96Å; E441-L454 HydrophobicContact CG-CD2 4.04Å; E441-L454 HydrophobicContact CG-CG 4.44Å; E441-I503 HydrophobicContact CG-CD1 4.45Å |
| 442 | Q | 82.4 | Confident | 81.7 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 175.4 | -69.2 | -70.8 | 0.8 | 0 | 0 | 112.2 | E438 K439 K446 | E438-Q442 VanDerWaalsContact O-CG 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.24Å; K439-Q442 PolarHBondContact O-N 3.31Å; Q442-K446 WeakPolarHBondContact O-CB 3.47Å; Q442-K446 PolarHBondContact O-N 2.68Å |
| 443 | E | 84.7 | Confident | 80.9 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 168.2 | -170.4 | -173.3 | 132.8 | 0 | 0 | 110.3 | K439 K440 E441 K446 K447 | K439-E443 PolarHBondContact O-N 2.65Å; K440-E443 PolarHBondContact O-N 2.8Å; E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 3.3Å; E443-K446 PolarHBondContact O-N 2.94Å; E443-K447 HydrophobicContact CG-CD 4.34Å; E443-K447 WeakPolarHBondContact O-CB 3.1Å; E443-K447 PolarHBondContact O-N 2.81Å; E443-K447 IonicContact OE1-NZ 2.74Å; E443-K447 PolarHBondContact OE1-NZ 3.33Å |
| 444 | A | 85.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 3% | 0.033 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K440 E441 K446 K447 F448 I503 | K440-A444 WeakPolarHBondContact O-CB 3.33Å; K440-A444 PolarHBondContact O-N 3.42Å; E441-A444 CarbonylContact O-C 3.59Å; E441-A444 WeakPolarHBondContact O-CA 3.47Å; E441-A444 WeakPolarHBondContact O-CB 3.37Å; E441-A444 PolarHBondContact O-N 2.69Å; E441-A444 VanDerWaalsContact O-N 3.08Å; A444-K446 VanDerWaalsContact C-N 3.28Å; A444-K446 PolarHBondContact O-N 3.12Å; A444-K447 PolarHBondContact O-N 3.33Å; A444-K447 VanDerWaalsContact O-N 3.12Å; A444-F448 HydrophobicContact CB-CD2 3.98Å; A444-F448 HydrophobicContact CB-CE2 4.3Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 WeakPolarHBondContact O-CD2 3.3Å; A444-F448 PolarHBondContact O-N 2.74Å; A444-I503 HydrophobicContact CB-CB 3.74Å; A444-I503 HydrophobicContact CB-CD1 3.42Å; A444-I503 VanDerWaalsContact CB-CD1 3.42Å; A444-I503 HydrophobicContact CB-CG1 4.19Å; A444-I503 HydrophobicContact CB-CG2 3.88Å |
| 445 | R | 82.3 | Confident | 80.4 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -52 | -48 | 174.2 | -73.4 | 176 | -176.9 | -147.1 | 6 | 110.4 | E441 K449 L450 L454 | E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 WeakPolarHBondContact O-CG 3.02Å; E441-R445 PolarHBondContact O-N 2.99Å; E441-R445 IonicContact OE1-CZ 2.97Å; E441-R445 VanDerWaalsContact OE1-CZ 3.22Å; E441-R445 IonicContact OE1-NE 3.42Å; E441-R445 PolarHBondContact OE1-NE 2.79Å; E441-R445 IonicContact OE1-NH2 2.69Å; E441-R445 PolarHBondContact OE1-NH2 3.1Å; R445-K449 WeakPolarHBondContact O-CA 3.46Å; R445-K449 PolarHBondContact O-N 2.93Å; R445-K449 VanDerWaalsContact O-N 3.1Å; R445-L450 HydrophobicContact CG-CB 4.48Å; R445-L450 PolarHBondContact O-N 2.82Å; R445-L450 VanDerWaalsContact O-N 3.08Å; R445-L454 HydrophobicContact CG-CD1 3.59Å |
| 446 | K | 86.3 | Confident | 80.7 | Confident | 185 Ų | 185 | 85.8 Ų | 85.8 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.5 | -39.6 | 176.1 | -177.6 | 174.3 | -179.5 | 174.1 | 0 | 114.1 | Q442 E443 A444 | Q442-K446 WeakPolarHBondContact O-CB 3.47Å; Q442-K446 PolarHBondContact O-N 2.68Å; E443-K446 PolarHBondContact O-N 2.94Å; A444-K446 VanDerWaalsContact C-N 3.28Å; A444-K446 PolarHBondContact O-N 3.12Å |
| 447 | K | 84.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 84.6 Ų | 84.6 | 34% | 0.335 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -80.6 | -32.3 | -171.3 | -178.3 | 177.5 | -175.8 | 175.1 | 0 | 113.4 | E443 A444 K470 M471 | E443-K447 HydrophobicContact CG-CD 4.34Å; E443-K447 WeakPolarHBondContact O-CB 3.1Å; E443-K447 PolarHBondContact O-N 2.81Å; E443-K447 IonicContact OE1-NZ 2.74Å; E443-K447 PolarHBondContact OE1-NZ 3.33Å; A444-K447 PolarHBondContact O-N 3.33Å; A444-K447 VanDerWaalsContact O-N 3.12Å; K447-K470 WeakPolarHBondContact CE-O 3.49Å; K447-K470 PolarHBondContact NZ-O 3.23Å; K447-M471 HydrophobicContact CG-CE 4.24Å |
| 448 | F | 85.5 | Confident | 81.4 | Confident | 12 Ų | 12 | 80.4 Ų | 80.4 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -111.4 | 4.7 | -178.7 | -58 | -72.5 | 0 | 0 | 0 | 113.4 | A444 L450 M471 L495 I503 Y505 | A444-F448 HydrophobicContact CB-CD2 3.98Å; A444-F448 HydrophobicContact CB-CE2 4.3Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 WeakPolarHBondContact O-CD2 3.3Å; A444-F448 PolarHBondContact O-N 2.74Å; F448-L450 HydrophobicContact CB-CD1 4.45Å; F448-L450 HydrophobicContact CB-CG 4.16Å; F448-M471 HydrophobicContact CD1-CE 4.08Å; F448-M471 HydrophobicContact CE1-CB 4.14Å; F448-M471 HydrophobicContact CE1-CE 3.85Å; F448-M471 HydrophobicContact CZ-CB 4.47Å; F448-L495 HydrophobicContact CB-CD1 4.23Å; F448-L495 HydrophobicContact CB-CD2 3.75Å; F448-L495 HydrophobicContact CD1-CD1 3.42Å; F448-L495 VanDerWaalsContact CD1-CD1 3.42Å; F448-L495 HydrophobicContact CD1-CD2 4.48Å; F448-L495 HydrophobicContact CD2-CD1 3.98Å; F448-L495 HydrophobicContact CD2-CD2 4.22Å; F448-L495 HydrophobicContact CE1-CD1 3.61Å; F448-L495 HydrophobicContact CE2-CD1 4.17Å; F448-L495 HydrophobicContact CG-CD1 3.61Å; F448-L495 HydrophobicContact CG-CD2 3.92Å; F448-L495 HydrophobicContact CG-CG 4.46Å; F448-L495 HydrophobicContact CZ-CD1 4Å; F448-I503 HydrophobicContact CD2-CG2 4.08Å; F448-I503 HydrophobicContact CE2-CG2 4.07Å; F448-I503 WeakPolarHBondContact CE2-O 3.36Å; F448-Y505 HydrophobicContact CD1-CD2 4.46Å; F448-Y505 HydrophobicContact CD1-CE1 4.14Å; F448-Y505 AromaticContact CD1-CE2 3.85Å; F448-Y505 HydrophobicContact CD1-CE2 3.85Å; F448-Y505 AromaticContact CD1-CZ 3.66Å; F448-Y505 AromaticContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CE1 4.48Å; F448-Y505 AromaticContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CG 4.45Å; F448-Y505 AromaticContact CE1-CZ 3.99Å |
| 449 | K | 85.6 | Confident | 81.9 | Confident | 175 Ų | 175 | 80.2 Ų | 80.2 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 56.8 | 179.1 | -53.3 | 176 | -175.9 | 177.5 | 0 | 111.5 | R445 R485 | R445-K449 WeakPolarHBondContact O-CA 3.46Å; R445-K449 PolarHBondContact O-N 2.93Å; R445-K449 VanDerWaalsContact O-N 3.1Å; K449-R485 PolarHBondContact O-NH1 2.95Å |
| 450 | L | 80.5 | Confident | 82.1 | Confident | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -92.3 | 132.8 | 176 | -56.1 | 171.2 | 0 | 0 | 0 | 109.4 | R445 F448 L454 V484 R485 L495 | R445-L450 HydrophobicContact CG-CB 4.48Å; R445-L450 PolarHBondContact O-N 2.82Å; R445-L450 VanDerWaalsContact O-N 3.08Å; F448-L450 HydrophobicContact CB-CD1 4.45Å; F448-L450 HydrophobicContact CB-CG 4.16Å; L450-L454 HydrophobicContact CB-CD1 4.3Å; L450-L454 HydrophobicContact CD1-CD1 3.82Å; L450-L454 HydrophobicContact CD1-CD2 3.65Å; L450-L454 HydrophobicContact CD1-CG 3.81Å; L450-V484 HydrophobicContact CD1-CG1 4.5Å; L450-R485 HydrophobicContact CD2-CB 4.49Å; L450-L495 HydrophobicContact CD1-CD2 3.75Å; L450-L495 HydrophobicContact CD2-CD2 3.76Å; L450-L495 HydrophobicContact CG-CD2 4.15Å | ||
| 451 | T | 64.5 | Low | 82.6 | Confident | 144 Ų | 144 | 74 Ų | 74 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | trans | -112.2 | 126.4 | 179 | -51.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 452 | G | 68.1 | Low | 83.1 | Confident | 37 Ų | 37 | 72 Ų | 72 | 38% | 0.381 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 88 | -174.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 453 | P | 68.7 | Low | 83.4 | Confident | 79 Ų | 79 | 71.1 Ų | 71.1 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -63 | 148.9 | 175.6 | -22.4 | 34.9 | 0 | 0 | 0 | 113.2 | E455 | P453-E455 PolarHBondContact O-N 3.39Å; P453-E455 VanDerWaalsContact O-N 3.12Å | ||
| 454 | L | 73.4 | Confident | 83.5 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | trans | -86.3 | 77.9 | 176.4 | -87.6 | 76.2 | 0 | 0 | 0 | 111.6 | E441 R445 L450 V484 R497 I503 | E441-L454 HydrophobicContact CG-CD1 3.96Å; E441-L454 HydrophobicContact CG-CD2 4.04Å; E441-L454 HydrophobicContact CG-CG 4.44Å; R445-L454 HydrophobicContact CG-CD1 3.59Å; L450-L454 HydrophobicContact CB-CD1 4.3Å; L450-L454 HydrophobicContact CD1-CD1 3.82Å; L450-L454 HydrophobicContact CD1-CD2 3.65Å; L450-L454 HydrophobicContact CD1-CG 3.81Å; L454-V484 HydrophobicContact CB-CG1 4.13Å; L454-V484 HydrophobicContact CD2-CG1 3.94Å; L454-V484 HydrophobicContact CG-CG1 3.77Å; L454-R497 PolarHBondContact O-NH1 2.86Å; L454-I503 HydrophobicContact CD2-CD1 3.46Å; L454-I503 VanDerWaalsContact CD2-CD1 3.46Å; L454-I503 HydrophobicContact CD2-CG1 4.25Å | ||
| 455 | E | 79.1 | Confident | 83.7 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | trans | -64.8 | 157.7 | 170.2 | -72.7 | -163.1 | -154.2 | 0 | 0 | 113.3 | P453 R521 | P453-E455 PolarHBondContact O-N 3.39Å; P453-E455 VanDerWaalsContact O-N 3.12Å; E455-R521 IonicContact OE2-NH2 2.7Å | ||
| 456 | V | 87.3 | Confident | 83.8 | Confident | 36 Ų | 36 | 71 Ų | 71 | 22% | 0.218 | 37% | 0.367 | C | S | . | . | trans | -89.2 | 115.1 | 165.8 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | K459 D482 R521 | V456-K459 HydrophobicContact CG1-CG 4.24Å; V456-D482 HydrophobicContact CB-CB 4.33Å; V456-D482 HydrophobicContact CG1-CB 3.82Å; V456-D482 HydrophobicContact CG2-CB 3.76Å; V456-D482 WeakPolarHBondContact CG2-OD2 3.46Å; V456-R521 PolarHBondContact O-NH1 3.09Å | ||
| 457 | I | 88.3 | Confident | 83.6 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -70.8 | -48.1 | 169.9 | -59.8 | 179.5 | 0 | 0 | 0 | 108.6 | I483 V484 V486 R521 | I457-I483 WeakPolarHBondContact CB-O 3.41Å; I457-I483 PolarHBondContact N-O 3.08Å; I457-V484 WeakPolarHBondContact CD1-O 3.46Å; I457-V486 HydrophobicContact CD1-CG2 4.41Å; I457-R521 PolarHBondContact O-NH1 3.16Å |
| 458 | Q | 88.6 | Confident | 83.5 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 15% | 0.15 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 148.1 | -167 | 174.1 | 169.2 | 80.5 | 0 | 0 | 110.3 | I483 I513 L518 | Q458-I483 HydrophobicContact CB-CB 4.29Å; Q458-I483 WeakPolarHBondContact O-CB 3.26Å; Q458-I483 PolarHBondContact O-N 3.46Å; Q458-I513 HydrophobicContact CG-CD1 3.92Å; Q458-I513 HydrophobicContact CG-CG2 3.74Å; Q458-L518 HydrophobicContact CB-CD1 4.16Å; Q458-L518 HydrophobicContact CG-CD1 3.92Å |
| 459 | K | 91.3 | Very high | 83.5 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 146.8 | 173.8 | -69.4 | -177.6 | 178.4 | 177.1 | 0 | 110.9 | V456 D514 | V456-K459 HydrophobicContact CG1-CG 4.24Å; K459-D514 PolarHBondContact O-N 2.88Å |
| 460 | G | 92.3 | Very high | 83.5 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 170.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L481 E512 | G460-L481 PolarHBondContact N-O 3.27Å; G460-L481 PolarHBondContact O-N 2.81Å; G460-E512 CarbonylContact C-O 3.44Å; G460-E512 WeakPolarHBondContact CA-O 3.23Å |
| 461 | K | 93.3 | Very high | 83.9 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.6 | 172.3 | -73.8 | 177.2 | -179.2 | 172.9 | 0 | 110.1 | L463 D479 Q480 V511 E512 | K461-L463 PolarHBondContact O-N 2.91Å; K461-D479 CarbonylContact C-O 3.55Å; K461-D479 VanDerWaalsContact CA-O 3.3Å; K461-D479 WeakPolarHBondContact CA-O 3.44Å; K461-Q480 HydrophobicContact CG-CG 4.1Å; K461-V511 CarbonylContact O-C 3.52Å; K461-V511 WeakPolarHBondContact O-CA 2.97Å; K461-E512 PolarHBondContact N-O 3.35Å; K461-E512 PolarHBondContact O-N 2.95Å |
| 462 | A | 93.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.017 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T464 L475 K476 G478 D479 L481 | A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.43Å; A462-L475 HydrophobicContact CB-CB 3.78Å; A462-L475 HydrophobicContact CB-CD1 4.11Å; A462-L475 HydrophobicContact CB-CG 4.42Å; A462-K476 VanDerWaalsContact CB-O 3.25Å; A462-K476 WeakPolarHBondContact CB-O 3.44Å; A462-G478 PolarHBondContact O-N 2.95Å; A462-D479 HydrophobicContact CB-CB 4.47Å; A462-D479 PolarHBondContact N-O 3.05Å; A462-L481 HydrophobicContact CB-CD2 4.14Å |
| 463 | L | 87.6 | Confident | 86.4 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -70.3 | -29.3 | -178.8 | -163.7 | 80.5 | 0 | 0 | 0 | 112 | K461 Q477 L510 E512 | K461-L463 PolarHBondContact O-N 2.91Å; L463-Q477 WeakPolarHBondContact O-CG 3.42Å; L463-Q477 PolarHBondContact O-NE2 3.49Å; L463-L510 PolarHBondContact N-O 3.14Å; L463-E512 HydrophobicContact CD1-CB 4.2Å |
| 464 | T | 87 | Confident | 87.4 | Confident | 51 Ų | 51 | 69 Ų | 69 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -152.5 | 153.4 | -173.9 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | A462 C466 | A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.43Å; T464-C466 PolarHBondContact O-N 3.09Å; T464-C466 VanDerWaalsContact O-N 3.1Å; T464-C466 PolarHBondContact O-SG 3.16Å |
| 465 | D | 90.9 | Very high | 88.3 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 36% | 0.364 | S | S | * | . | trans | -50.6 | 112.3 | 171.6 | -84.6 | 25.3 | 0 | 0 | 0 | 113.4 | K476 Q477 | D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; D465-Q477 PolarHBondContact OD1-N 3.49Å | ||
| 466 | C | 83.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -106.1 | 106.6 | 175.6 | -66 | 0 | 0 | 0 | 0 | 109.9 | T464 G468 A474 L475 L510 | T464-C466 PolarHBondContact O-N 3.09Å; T464-C466 VanDerWaalsContact O-N 3.1Å; T464-C466 PolarHBondContact O-SG 3.16Å; C466-G468 PolarHBondContact O-N 2.83Å; C466-A474 WeakPolarHBondContact O-CA 3.4Å; C466-L475 HydrophobicContact CB-CB 4.24Å; C466-L475 PolarHBondContact N-O 3.47Å; C466-L475 PolarHBondContact O-N 2.82Å; C466-L510 VanDerWaalsContact SG-CD1 3.52Å |
| 467 | K | 81.6 | Confident | 89.1 | Confident | 211 Ų | 211 | 74.1 Ų | 74.1 | 92% | 0.917 | 39% | 0.385 | S | S | * | . | trans | -70.3 | 101.7 | 170.8 | -67.7 | -167.8 | 177.8 | -175.7 | 0 | 109.8 | ||||
| 468 | G | 83.1 | Confident | 89.1 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | trans | -59.7 | 150.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C466 D472 L473 | C466-G468 PolarHBondContact O-N 2.83Å; G468-D472 CarbonylContact C-O 3.54Å; G468-D472 VanDerWaalsContact CA-O 3.29Å; G468-D472 WeakPolarHBondContact CA-O 3.31Å; G468-L473 WeakPolarHBondContact CA-O 3.39Å | ||
| 469 | G | 85.3 | Confident | 89.4 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | trans | -112.8 | -169.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | M471 D472 | G469-M471 PolarHBondContact O-N 3.45Å; G469-M471 VanDerWaalsContact O-N 3.09Å; G469-D472 PolarHBondContact N-O 3.26Å; G469-D472 PolarHBondContact O-N 3.23Å | ||
| 470 | K | 85.9 | Confident | 89.4 | Confident | 193 Ų | 193 | 74.4 Ų | 74.4 | 84% | 0.839 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -58.7 | -25.8 | 178.8 | -174.8 | 176.2 | 177.4 | -177.5 | 0 | 113.9 | K447 | K447-K470 WeakPolarHBondContact CE-O 3.49Å; K447-K470 PolarHBondContact NZ-O 3.23Å |
| 471 | M | 89.7 | Confident | 89.4 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -133.1 | -2.8 | 178.9 | -60.8 | -173.6 | 73.2 | 0 | 0 | 113.3 | K447 F448 G469 Y505 | K447-M471 HydrophobicContact CG-CE 4.24Å; F448-M471 HydrophobicContact CD1-CE 4.08Å; F448-M471 HydrophobicContact CE1-CB 4.14Å; F448-M471 HydrophobicContact CE1-CE 3.85Å; F448-M471 HydrophobicContact CZ-CB 4.47Å; G469-M471 PolarHBondContact O-N 3.45Å; G469-M471 VanDerWaalsContact O-N 3.09Å; M471-Y505 HydrophobicContact CB-CD2 4.18Å; M471-Y505 HydrophobicContact CB-CE2 4.38Å; M471-Y505 HydrophobicContact CE-CE2 4.15Å; M471-Y505 WeakPolarHBondContact O-CD2 3.4Å; M471-Y505 PolarHBondContact O-N 3.12Å |
| 472 | D | 91.5 | Very high | 89.4 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -104.8 | 138.7 | -177.5 | -70.3 | 0.6 | 0 | 0 | 0 | 108.8 | G468 G469 K493 Y505 | G468-D472 CarbonylContact C-O 3.54Å; G468-D472 VanDerWaalsContact CA-O 3.29Å; G468-D472 WeakPolarHBondContact CA-O 3.31Å; G469-D472 PolarHBondContact N-O 3.26Å; G469-D472 PolarHBondContact O-N 3.23Å; D472-K493 IonicContact OD1-NZ 3.69Å; D472-K493 PolarHBondContact OD1-NZ 3.03Å; D472-K493 IonicContact OD2-NZ 2.65Å; D472-K493 PolarHBondContact OD2-NZ 3.41Å; D472-Y505 CarbonylContact C-O 3.55Å; D472-Y505 VanDerWaalsContact CA-O 3.24Å; D472-Y505 WeakPolarHBondContact CA-O 3.38Å |
| 473 | L | 92.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | trans | -71.8 | 137.8 | -172.6 | -162 | 54.8 | 0 | 0 | 0 | 111.4 | G468 L475 A496 T498 T502 Y505 | G468-L473 WeakPolarHBondContact CA-O 3.39Å; L473-L475 HydrophobicContact CB-CD1 4.43Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 3.98Å; L473-L475 HydrophobicContact CD2-CG 4.2Å; L473-L475 HydrophobicContact CG-CD1 4.32Å; L473-L475 HydrophobicContact CG-CD2 4.09Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L473-A496 HydrophobicContact CD2-CB 3.77Å; L473-T498 WeakPolarHBondContact CD1-OG1 3.33Å; L473-T502 HydrophobicContact CD1-CG2 3.79Å; L473-T502 WeakPolarHBondContact CD1-O 3.28Å; L473-Y505 PolarHBondContact N-O 2.84Å | ||
| 474 | A | 90.5 | Very high | 89.6 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | trans | -86.2 | 124.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | C466 | C466-A474 WeakPolarHBondContact O-CA 3.4Š| ||
| 475 | L | 91.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -144.5 | 147.7 | -177.8 | -61.8 | 164.3 | 0 | 0 | 0 | 109.2 | A462 C466 L473 D479 L481 T498 V506 | A462-L475 HydrophobicContact CB-CB 3.78Å; A462-L475 HydrophobicContact CB-CD1 4.11Å; A462-L475 HydrophobicContact CB-CG 4.42Å; C466-L475 HydrophobicContact CB-CB 4.24Å; C466-L475 PolarHBondContact N-O 3.47Å; C466-L475 PolarHBondContact O-N 2.82Å; L473-L475 HydrophobicContact CB-CD1 4.43Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 3.98Å; L473-L475 HydrophobicContact CD2-CG 4.2Å; L473-L475 HydrophobicContact CG-CD1 4.32Å; L473-L475 HydrophobicContact CG-CD2 4.09Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L475-D479 HydrophobicContact CD2-CB 4.28Å; L475-L481 HydrophobicContact CD1-CD1 4.22Å; L475-L481 HydrophobicContact CD1-CD2 4.05Å; L475-L481 HydrophobicContact CD2-CB 4.42Å; L475-L481 HydrophobicContact CD2-CD2 4.22Å; L475-T498 HydrophobicContact CD2-CG2 4.21Å; L475-V506 HydrophobicContact CD1-CB 4.25Å; L475-V506 HydrophobicContact CD1-CG2 3.5Å; L475-V506 VanDerWaalsContact CD1-CG2 3.5Å |
| 476 | K | 91.1 | Very high | 89.7 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | trans | -102.9 | 158.2 | 167.5 | -58.3 | 170.9 | -174.1 | 167.4 | 0 | 110 | A462 D465 G478 D479 | A462-K476 VanDerWaalsContact CB-O 3.25Å; A462-K476 WeakPolarHBondContact CB-O 3.44Å; D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; K476-G478 PolarHBondContact O-N 3.14Å; K476-D479 WeakPolarHBondContact CB-OD2 3.45Å; K476-D479 PolarHBondContact N-OD2 3.39Å; K476-D479 WeakPolarHBondContact O-CB 3.23Å; K476-D479 PolarHBondContact O-N 2.7Å | ||
| 477 | Q | 92.3 | Very high | 89.7 | Confident | 141 Ų | 141 | 74 Ų | 74 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 124.6 | 172.6 | -178.8 | 166.6 | 4.9 | 0 | 0 | 111.3 | L463 D465 | L463-Q477 WeakPolarHBondContact O-CG 3.42Å; L463-Q477 PolarHBondContact O-NE2 3.49Å; D465-Q477 PolarHBondContact OD1-N 3.49Å |
| 478 | G | 89.4 | Confident | 89.9 | Confident | 42 Ų | 42 | 67 Ų | 67 | 43% | 0.433 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -10.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A462 K476 | A462-G478 PolarHBondContact O-N 2.95Å; K476-G478 PolarHBondContact O-N 3.14Å |
| 479 | D | 93.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 66.7 Ų | 66.7 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -59.1 | 138.3 | 175.5 | -77.2 | -8.1 | 0 | 0 | 0 | 110.6 | K461 A462 L475 K476 L481 | K461-D479 CarbonylContact C-O 3.55Å; K461-D479 VanDerWaalsContact CA-O 3.3Å; K461-D479 WeakPolarHBondContact CA-O 3.44Å; A462-D479 HydrophobicContact CB-CB 4.47Å; A462-D479 PolarHBondContact N-O 3.05Å; L475-D479 HydrophobicContact CD2-CB 4.28Å; K476-D479 WeakPolarHBondContact CB-OD2 3.45Å; K476-D479 PolarHBondContact N-OD2 3.39Å; K476-D479 WeakPolarHBondContact O-CB 3.23Å; K476-D479 PolarHBondContact O-N 2.7Å; D479-L481 WeakPolarHBondContact O-CD2 3.39Å | ||
| 480 | Q | 92.2 | Very high | 90.3 | Very high | 117 Ų | 117 | 67.5 Ų | 67.5 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140 | 176.5 | -66.2 | -177.4 | 40.2 | 0 | 0 | 111.4 | K461 | K461-Q480 HydrophobicContact CG-CG 4.1Å |
| 481 | L | 92.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.7 | 180 | 55.7 | 145.1 | 0 | 0 | 0 | 112.2 | G460 A462 L475 D479 I483 A496 R497 V506 V511 | G460-L481 PolarHBondContact N-O 3.27Å; G460-L481 PolarHBondContact O-N 2.81Å; A462-L481 HydrophobicContact CB-CD2 4.14Å; L475-L481 HydrophobicContact CD1-CD1 4.22Å; L475-L481 HydrophobicContact CD1-CD2 4.05Å; L475-L481 HydrophobicContact CD2-CB 4.42Å; L475-L481 HydrophobicContact CD2-CD2 4.22Å; D479-L481 WeakPolarHBondContact O-CD2 3.39Å; L481-I483 HydrophobicContact CD1-CD1 3.93Å; L481-A496 HydrophobicContact CB-CB 4.43Å; L481-A496 HydrophobicContact CD1-CB 3.54Å; L481-R497 WeakPolarHBondContact CA-O 3.29Å; L481-V506 HydrophobicContact CD1-CB 4.49Å; L481-V506 HydrophobicContact CD1-CG1 3.94Å; L481-V506 HydrophobicContact CD1-CG2 4.43Å; L481-V511 HydrophobicContact CD1-CG1 4.07Å; L481-V511 HydrophobicContact CD1-CG2 3.88Å; L481-V511 HydrophobicContact CD2-CG1 4.44Å; L481-V511 HydrophobicContact CG-CG1 4.46Å |
| 482 | D | 93 | Very high | 90.4 | Very high | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.2 | 169.4 | -66 | -31.2 | 0 | 0 | 0 | 109.2 | V456 V484 A496 R497 | V456-D482 HydrophobicContact CB-CB 4.33Å; V456-D482 HydrophobicContact CG1-CB 3.82Å; V456-D482 HydrophobicContact CG2-CB 3.76Å; V456-D482 WeakPolarHBondContact CG2-OD2 3.46Å; D482-V484 PolarHBondContact O-N 2.78Å; D482-A496 CarbonylContact O-C 3.56Å; D482-A496 WeakPolarHBondContact O-CA 3.46Å; D482-R497 HydrophobicContact CB-CB 4.27Å; D482-R497 PolarHBondContact N-O 2.77Å; D482-R497 PolarHBondContact O-N 3.24Å; D482-R497 IonicContact OD2-CZ 2.67Å; D482-R497 IonicContact OD2-NE 3.38Å; D482-R497 PolarHBondContact OD2-NE 3.12Å; D482-R497 VanDerWaalsContact OD2-NE 3.16Å; D482-R497 IonicContact OD2-NH2 2.71Å; D482-R497 PolarHBondContact OD2-NH2 2.75Å |
| 483 | I | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 118.4 | 165.8 | -55.5 | -57.2 | 0 | 0 | 0 | 108.4 | I457 Q458 L481 V486 W494 A496 V506 V511 I513 | I457-I483 WeakPolarHBondContact CB-O 3.41Å; I457-I483 PolarHBondContact N-O 3.08Å; Q458-I483 HydrophobicContact CB-CB 4.29Å; Q458-I483 WeakPolarHBondContact O-CB 3.26Å; Q458-I483 PolarHBondContact O-N 3.46Å; L481-I483 HydrophobicContact CD1-CD1 3.93Å; I483-V486 HydrophobicContact CG2-CG1 3.63Å; I483-W494 HydrophobicContact CD1-CB 4.38Å; I483-W494 HydrophobicContact CD1-CE3 3.87Å; I483-W494 HydrophobicContact CG1-CE3 4.27Å; I483-W494 HydrophobicContact CG2-CB 4.25Å; I483-W494 HydrophobicContact CG2-CG 4.48Å; I483-A496 HydrophobicContact CD1-CB 4.07Å; I483-V506 HydrophobicContact CD1-CG1 4.35Å; I483-V511 HydrophobicContact CD1-CG1 4.47Å; I483-I513 HydrophobicContact CG1-CD1 4.2Å |
| 484 | V | 91.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -31.6 | -177.3 | 176 | 0 | 0 | 0 | 0 | 111.6 | L450 L454 I457 D482 L495 R497 | L450-V484 HydrophobicContact CD1-CG1 4.5Å; L454-V484 HydrophobicContact CB-CG1 4.13Å; L454-V484 HydrophobicContact CD2-CG1 3.94Å; L454-V484 HydrophobicContact CG-CG1 3.77Å; I457-V484 WeakPolarHBondContact CD1-O 3.46Å; D482-V484 PolarHBondContact O-N 2.78Å; V484-L495 PolarHBondContact N-O 3.42Å; V484-R497 HydrophobicContact CG2-CB 3.78Å |
| 485 | R | 89.8 | Confident | 90.7 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 124.2 | 179.7 | -173.6 | -178.6 | -175.3 | 151.1 | 11 | 110.8 | K449 L450 Q487 N489 L495 | K449-R485 PolarHBondContact O-NH1 2.95Å; L450-R485 HydrophobicContact CD2-CB 4.49Å; R485-Q487 WeakPolarHBondContact CG-O 3.32Å; R485-Q487 PolarHBondContact NE-O 3.1Å; R485-N489 PolarHBondContact O-ND2 3.31Å; R485-L495 HydrophobicContact CB-CB 3.98Å; R485-L495 PolarHBondContact N-O 3.26Å; R485-L495 VanDerWaalsContact N-O 3.15Å; R485-L495 PolarHBondContact O-N 3.46Å |
| 486 | V | 89.2 | Confident | 90.8 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | trans | -93.1 | -38.8 | 174.7 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | I457 I483 N489 W494 | I457-V486 HydrophobicContact CD1-CG2 4.41Å; I483-V486 HydrophobicContact CG2-CG1 3.63Å; V486-N489 PolarHBondContact O-ND2 2.81Å; V486-W494 HydrophobicContact CB-CG 4.43Å; V486-W494 HydrophobicContact CG1-CD2 4.14Å; V486-W494 HydrophobicContact CG1-CG 4.09Å | ||
| 487 | Q | 85.2 | Confident | 90.9 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -102.4 | 146 | -170.9 | -169.5 | -177.7 | 9.5 | 0 | 0 | 113.2 | R485 N489 | R485-Q487 WeakPolarHBondContact CG-O 3.32Å; R485-Q487 PolarHBondContact NE-O 3.1Å; Q487-N489 VanDerWaalsContact C-N 3.34Å |
| 488 | G | 83.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 78.7 | 15.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 489 | N | 88.8 | Confident | 90.8 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -91.2 | 173 | 170.2 | -57.2 | -55.1 | 0 | 0 | 0 | 110.3 | R485 V486 Q487 K493 Y505 | R485-N489 PolarHBondContact O-ND2 3.31Å; V486-N489 PolarHBondContact O-ND2 2.81Å; Q487-N489 VanDerWaalsContact C-N 3.34Å; N489-K493 WeakPolarHBondContact CB-O 3.42Å; N489-Y505 HydrophobicContact CB-CD1 4.42Å; N489-Y505 HydrophobicContact CB-CE1 4.05Å |
| 490 | P | 89.2 | Confident | 90.4 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -57.2 | 149.7 | 164.8 | -22 | 34.2 | 0 | 0 | 0 | 111.9 | K493 Y505 | P490-K493 HydrophobicContact CB-CD 4.25Å; P490-K493 WeakPolarHBondContact O-CB 3.31Å; P490-K493 PolarHBondContact O-N 3.11Å; P490-K493 VanDerWaalsContact O-N 3.12Å; P490-Y505 HydrophobicContact CG-CE1 4.42Å; P490-Y505 HydrophobicContact CG-CE2 4.14Å |
| 491 | E | 88 | Confident | 89.9 | Confident | 200 Ų | 200 | 52.6 Ų | 52.6 | 94% | 0.935 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 141.3 | -179 | -164.8 | -173 | 160.6 | 0 | 0 | 112.4 | K493 | E491-K493 PolarHBondContact O-N 3.09Å; E491-K493 VanDerWaalsContact O-N 3.15Å |
| 492 | G | 89.6 | Confident | 89.7 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 12.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K507 T508 | G492-K507 CarbonylContact O-C 3.57Å; G492-K507 VanDerWaalsContact O-CA 3.32Å; G492-K507 WeakPolarHBondContact O-CA 3.18Å; G492-T508 PolarHBondContact O-N 3.24Å; G492-T508 PolarHBondContact O-OG1 3.31Å |
| 493 | K | 93.3 | Very high | 89.6 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.7 | 177.1 | -73.1 | 175.2 | 161.8 | -170.3 | 0 | 112.5 | D472 N489 P490 E491 Y505 V506 K507 | D472-K493 IonicContact OD1-NZ 3.69Å; D472-K493 PolarHBondContact OD1-NZ 3.03Å; D472-K493 IonicContact OD2-NZ 2.65Å; D472-K493 PolarHBondContact OD2-NZ 3.41Å; N489-K493 WeakPolarHBondContact CB-O 3.42Å; P490-K493 HydrophobicContact CB-CD 4.25Å; P490-K493 WeakPolarHBondContact O-CB 3.31Å; P490-K493 PolarHBondContact O-N 3.11Å; P490-K493 VanDerWaalsContact O-N 3.12Å; E491-K493 PolarHBondContact O-N 3.09Å; E491-K493 VanDerWaalsContact O-N 3.15Å; K493-Y505 HydrophobicContact CD-CG 4.45Å; K493-V506 CarbonylContact C-O 3.57Å; K493-V506 VanDerWaalsContact CA-O 3.22Å; K493-V506 WeakPolarHBondContact CA-O 3.46Å; K493-K507 HydrophobicContact CG-CG 4.44Å |
| 494 | W | 94.1 | Very high | 89.6 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 158.2 | 164.2 | -65.6 | -28.4 | 0 | 0 | 0 | 109.9 | I483 V486 Y505 V506 T508 I513 | I483-W494 HydrophobicContact CD1-CB 4.38Å; I483-W494 HydrophobicContact CD1-CE3 3.87Å; I483-W494 HydrophobicContact CG1-CE3 4.27Å; I483-W494 HydrophobicContact CG2-CB 4.25Å; I483-W494 HydrophobicContact CG2-CG 4.48Å; V486-W494 HydrophobicContact CB-CG 4.43Å; V486-W494 HydrophobicContact CG1-CD2 4.14Å; V486-W494 HydrophobicContact CG1-CG 4.09Å; W494-Y505 CarbonylContact O-C 3.58Å; W494-Y505 VanDerWaalsContact O-CA 3.28Å; W494-Y505 WeakPolarHBondContact O-CA 3.42Å; W494-V506 HydrophobicContact CB-CG1 4.46Å; W494-V506 PolarHBondContact N-O 3.42Å; W494-V506 PolarHBondContact O-N 2.87Å; W494-T508 HydrophobicContact CD2-CG2 3.61Å; W494-T508 VanDerWaalsContact CE2-CG2 3.46Å; W494-T508 HydrophobicContact CE3-CG2 4.12Å; W494-T508 HydrophobicContact CG-CG2 3.87Å; W494-T508 HydrophobicContact CH2-CG2 4.4Å; W494-T508 HydrophobicContact CZ2-CG2 3.92Å; W494-T508 HydrophobicContact CZ3-CG2 4.47Å; W494-I513 HydrophobicContact CE3-CD1 4.5Å; W494-I513 HydrophobicContact CH2-CD1 4.32Å; W494-I513 HydrophobicContact CH2-CG1 4.2Å; W494-I513 HydrophobicContact CZ3-CD1 3.67Å; W494-I513 HydrophobicContact CZ3-CG1 3.99Å |
| 495 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.3 | 168 | -164.3 | 76 | 0 | 0 | 0 | 109.2 | F448 L450 V484 R485 I503 Y505 | F448-L495 HydrophobicContact CB-CD1 4.23Å; F448-L495 HydrophobicContact CB-CD2 3.75Å; F448-L495 HydrophobicContact CD1-CD1 3.42Å; F448-L495 VanDerWaalsContact CD1-CD1 3.42Å; F448-L495 HydrophobicContact CD1-CD2 4.48Å; F448-L495 HydrophobicContact CD2-CD1 3.98Å; F448-L495 HydrophobicContact CD2-CD2 4.22Å; F448-L495 HydrophobicContact CE1-CD1 3.61Å; F448-L495 HydrophobicContact CE2-CD1 4.17Å; F448-L495 HydrophobicContact CG-CD1 3.61Å; F448-L495 HydrophobicContact CG-CD2 3.92Å; F448-L495 HydrophobicContact CG-CG 4.46Å; F448-L495 HydrophobicContact CZ-CD1 4Å; L450-L495 HydrophobicContact CD1-CD2 3.75Å; L450-L495 HydrophobicContact CD2-CD2 3.76Å; L450-L495 HydrophobicContact CG-CD2 4.15Å; V484-L495 PolarHBondContact N-O 3.42Å; R485-L495 HydrophobicContact CB-CB 3.98Å; R485-L495 PolarHBondContact N-O 3.26Å; R485-L495 VanDerWaalsContact N-O 3.15Å; R485-L495 PolarHBondContact O-N 3.46Å; L495-I503 HydrophobicContact CD1-CG2 4.23Å; L495-I503 HydrophobicContact CD2-CG2 3.9Å; L495-I503 HydrophobicContact CG-CG2 3.96Å; L495-Y505 HydrophobicContact CB-CD1 4.28Å; L495-Y505 HydrophobicContact CB-CE1 4.43Å; L495-Y505 HydrophobicContact CD1-CD1 3.58Å; L495-Y505 HydrophobicContact CD1-CE1 3.71Å; L495-Y505 HydrophobicContact CD1-CG 4.18Å |
| 496 | A | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L473 L481 D482 I483 I503 G504 V506 | L473-A496 HydrophobicContact CD2-CB 3.77Å; L481-A496 HydrophobicContact CB-CB 4.43Å; L481-A496 HydrophobicContact CD1-CB 3.54Å; D482-A496 CarbonylContact O-C 3.56Å; D482-A496 WeakPolarHBondContact O-CA 3.46Å; I483-A496 HydrophobicContact CD1-CB 4.07Å; A496-I503 VanDerWaalsContact O-CA 3.31Å; A496-I503 WeakPolarHBondContact O-CA 3.45Å; A496-G504 PolarHBondContact N-O 2.85Å; A496-G504 PolarHBondContact O-N 3.22Å; A496-V506 HydrophobicContact CB-CB 4.32Å; A496-V506 HydrophobicContact CB-CG1 3.64Å |
| 497 | R | 92.8 | Very high | 90.1 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.5 | 175.7 | 177.6 | 178.3 | 69.6 | -152.8 | 0.2 | 109 | L454 L481 D482 V484 T502 I503 | L454-R497 PolarHBondContact O-NH1 2.86Å; L481-R497 WeakPolarHBondContact CA-O 3.29Å; D482-R497 HydrophobicContact CB-CB 4.27Å; D482-R497 PolarHBondContact N-O 2.77Å; D482-R497 PolarHBondContact O-N 3.24Å; D482-R497 IonicContact OD2-CZ 2.67Å; D482-R497 IonicContact OD2-NE 3.38Å; D482-R497 PolarHBondContact OD2-NE 3.12Å; D482-R497 VanDerWaalsContact OD2-NE 3.16Å; D482-R497 IonicContact OD2-NH2 2.71Å; D482-R497 PolarHBondContact OD2-NH2 2.75Å; V484-R497 HydrophobicContact CG2-CB 3.78Å; R497-T502 CarbonylContact C-O 3.57Å; R497-T502 VanDerWaalsContact CA-O 3.31Å; R497-T502 WeakPolarHBondContact CA-O 3.42Å; R497-I503 HydrophobicContact CB-CG1 3.85Å; R497-I503 HydrophobicContact CG-CG1 3.81Å |
| 498 | T | 92.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 158.8 | 169.8 | -40.1 | 0 | 0 | 0 | 0 | 109.6 | L473 L475 D500 G501 T502 | L473-T498 WeakPolarHBondContact CD1-OG1 3.33Å; L475-T498 HydrophobicContact CD2-CG2 4.21Å; T498-D500 PolarHBondContact O-N 3.31Å; T498-G501 PolarHBondContact O-N 3.1Å; T498-T502 PolarHBondContact N-O 2.74Å |
| 499 | T | 88.3 | Confident | 90.8 | Very high | 86 Ų | 86 | 50.2 Ų | 50.2 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.9 | -42.2 | 168.3 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | R437 G501 | R437-T499 PolarHBondContact NH2-O 3.12Å; T499-G501 PolarHBondContact O-N 2.91Å |
| 500 | D | 83.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 1.2 | -176.6 | -49.3 | 2.2 | 0 | 0 | 0 | 114.4 | T498 T502 | T498-D500 PolarHBondContact O-N 3.31Å; D500-T502 PolarHBondContact O-N 2.83Å |
| 501 | G | 82.6 | Confident | 91 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 73.8 | 6.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T498 T499 | T498-G501 PolarHBondContact O-N 3.1Å; T499-G501 PolarHBondContact O-N 2.91Å |
| 502 | T | 88.7 | Confident | 91.1 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 39% | 0.387 | 24% | 0.239 | S | C | . | . | trans | -74.2 | 128 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | L473 R497 T498 D500 | L473-T502 HydrophobicContact CD1-CG2 3.79Å; L473-T502 WeakPolarHBondContact CD1-O 3.28Å; R497-T502 CarbonylContact C-O 3.57Å; R497-T502 VanDerWaalsContact CA-O 3.31Å; R497-T502 WeakPolarHBondContact CA-O 3.42Å; T498-T502 PolarHBondContact N-O 2.74Å; D500-T502 PolarHBondContact O-N 2.83Å | ||
| 503 | I | 91.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.2 | -177.2 | -62.1 | 148.4 | 0 | 0 | 0 | 109.7 | E441 A444 F448 L454 L495 A496 R497 | E441-I503 HydrophobicContact CG-CD1 4.45Å; A444-I503 HydrophobicContact CB-CB 3.74Å; A444-I503 HydrophobicContact CB-CD1 3.42Å; A444-I503 VanDerWaalsContact CB-CD1 3.42Å; A444-I503 HydrophobicContact CB-CG1 4.19Å; A444-I503 HydrophobicContact CB-CG2 3.88Å; F448-I503 HydrophobicContact CD2-CG2 4.08Å; F448-I503 HydrophobicContact CE2-CG2 4.07Å; F448-I503 WeakPolarHBondContact CE2-O 3.36Å; L454-I503 HydrophobicContact CD2-CD1 3.46Å; L454-I503 VanDerWaalsContact CD2-CD1 3.46Å; L454-I503 HydrophobicContact CD2-CG1 4.25Å; L495-I503 HydrophobicContact CD1-CG2 4.23Å; L495-I503 HydrophobicContact CD2-CG2 3.9Å; L495-I503 HydrophobicContact CG-CG2 3.96Å; A496-I503 VanDerWaalsContact O-CA 3.31Å; A496-I503 WeakPolarHBondContact O-CA 3.45Å; R497-I503 HydrophobicContact CB-CG1 3.85Å; R497-I503 HydrophobicContact CG-CG1 3.81Å |
| 504 | G | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A496 | A496-G504 PolarHBondContact N-O 2.85Å; A496-G504 PolarHBondContact O-N 3.22Å |
| 505 | Y | 93.5 | Very high | 90.2 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.3 | 177.3 | -63.2 | -60.1 | 0 | 0 | 0 | 111.6 | F448 M471 D472 L473 N489 P490 K493 W494 L495 | F448-Y505 HydrophobicContact CD1-CD2 4.46Å; F448-Y505 HydrophobicContact CD1-CE1 4.14Å; F448-Y505 AromaticContact CD1-CE2 3.85Å; F448-Y505 HydrophobicContact CD1-CE2 3.85Å; F448-Y505 AromaticContact CD1-CZ 3.66Å; F448-Y505 AromaticContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CE1 4.48Å; F448-Y505 AromaticContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CG 4.45Å; F448-Y505 AromaticContact CE1-CZ 3.99Å; M471-Y505 HydrophobicContact CB-CD2 4.18Å; M471-Y505 HydrophobicContact CB-CE2 4.38Å; M471-Y505 HydrophobicContact CE-CE2 4.15Å; M471-Y505 WeakPolarHBondContact O-CD2 3.4Å; M471-Y505 PolarHBondContact O-N 3.12Å; D472-Y505 CarbonylContact C-O 3.55Å; D472-Y505 VanDerWaalsContact CA-O 3.24Å; D472-Y505 WeakPolarHBondContact CA-O 3.38Å; L473-Y505 PolarHBondContact N-O 2.84Å; N489-Y505 HydrophobicContact CB-CD1 4.42Å; N489-Y505 HydrophobicContact CB-CE1 4.05Å; P490-Y505 HydrophobicContact CG-CE1 4.42Å; P490-Y505 HydrophobicContact CG-CE2 4.14Å; K493-Y505 HydrophobicContact CD-CG 4.45Å; W494-Y505 CarbonylContact O-C 3.58Å; W494-Y505 VanDerWaalsContact O-CA 3.28Å; W494-Y505 WeakPolarHBondContact O-CA 3.42Å; L495-Y505 HydrophobicContact CB-CD1 4.28Å; L495-Y505 HydrophobicContact CB-CE1 4.43Å; L495-Y505 HydrophobicContact CD1-CD1 3.58Å; L495-Y505 HydrophobicContact CD1-CE1 3.71Å; L495-Y505 HydrophobicContact CD1-CG 4.18Å |
| 506 | V | 93.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.8 | 171.5 | 67.7 | 0 | 0 | 0 | 0 | 109.3 | L475 L481 I483 K493 W494 A496 V511 | L475-V506 HydrophobicContact CD1-CB 4.25Å; L475-V506 HydrophobicContact CD1-CG2 3.5Å; L475-V506 VanDerWaalsContact CD1-CG2 3.5Å; L481-V506 HydrophobicContact CD1-CB 4.49Å; L481-V506 HydrophobicContact CD1-CG1 3.94Å; L481-V506 HydrophobicContact CD1-CG2 4.43Å; I483-V506 HydrophobicContact CD1-CG1 4.35Å; K493-V506 CarbonylContact C-O 3.57Å; K493-V506 VanDerWaalsContact CA-O 3.22Å; K493-V506 WeakPolarHBondContact CA-O 3.46Å; W494-V506 HydrophobicContact CB-CG1 4.46Å; W494-V506 PolarHBondContact N-O 3.42Å; W494-V506 PolarHBondContact O-N 2.87Å; A496-V506 HydrophobicContact CB-CB 4.32Å; A496-V506 HydrophobicContact CB-CG1 3.64Å; V506-V511 HydrophobicContact CB-CG2 4.12Å; V506-V511 HydrophobicContact CG1-CG2 3.61Å; V506-V511 HydrophobicContact CG2-CG2 3.37Å |
| 507 | K | 92.6 | Very high | 87.7 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.5 | 175.6 | -70.9 | -176.7 | -178.5 | 178.2 | 0 | 110 | G492 K493 T509 L510 | G492-K507 CarbonylContact O-C 3.57Å; G492-K507 VanDerWaalsContact O-CA 3.32Å; G492-K507 WeakPolarHBondContact O-CA 3.18Å; K493-K507 HydrophobicContact CG-CG 4.44Å; K507-T509 VanDerWaalsContact C-N 3.25Å; K507-T509 PolarHBondContact O-N 2.83Å; K507-L510 HydrophobicContact CB-CB 4.28Å; K507-L510 HydrophobicContact CB-CD1 4.14Å; K507-L510 HydrophobicContact CB-CG 3.95Å; K507-L510 HydrophobicContact CD-CD1 3.84Å; K507-L510 HydrophobicContact CD-CG 4.26Å; K507-L510 HydrophobicContact CG-CD1 4.45Å; K507-L510 PolarHBondContact O-N 3.22Å |
| 508 | T | 92.6 | Very high | 86.2 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -55.7 | -41.9 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | G492 W494 L510 V511 | G492-T508 PolarHBondContact O-N 3.24Å; G492-T508 PolarHBondContact O-OG1 3.31Å; W494-T508 HydrophobicContact CD2-CG2 3.61Å; W494-T508 VanDerWaalsContact CE2-CG2 3.46Å; W494-T508 HydrophobicContact CE3-CG2 4.12Å; W494-T508 HydrophobicContact CG-CG2 3.87Å; W494-T508 HydrophobicContact CH2-CG2 4.4Å; W494-T508 HydrophobicContact CZ2-CG2 3.92Å; W494-T508 HydrophobicContact CZ3-CG2 4.47Å; T508-L510 PolarHBondContact O-N 2.66Å; T508-L510 VanDerWaalsContact O-N 3.12Å; T508-V511 PolarHBondContact O-N 2.83Å |
| 509 | T | 91.8 | Very high | 84.5 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.2 | -12 | 179.3 | 67.3 | 0 | 0 | 0 | 0 | 114.6 | K507 | K507-T509 VanDerWaalsContact C-N 3.25Å; K507-T509 PolarHBondContact O-N 2.83Å |
| 510 | L | 90.3 | Very high | 82.9 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -114.3 | 12.9 | -177.9 | -51.4 | -175.7 | 0 | 0 | 0 | 112.1 | L463 C466 K507 T508 | L463-L510 PolarHBondContact N-O 3.14Å; C466-L510 VanDerWaalsContact SG-CD1 3.52Å; K507-L510 HydrophobicContact CB-CB 4.28Å; K507-L510 HydrophobicContact CB-CD1 4.14Å; K507-L510 HydrophobicContact CB-CG 3.95Å; K507-L510 HydrophobicContact CD-CD1 3.84Å; K507-L510 HydrophobicContact CD-CG 4.26Å; K507-L510 HydrophobicContact CG-CD1 4.45Å; K507-L510 PolarHBondContact O-N 3.22Å; T508-L510 PolarHBondContact O-N 2.66Å; T508-L510 VanDerWaalsContact O-N 3.12Å |
| 511 | V | 91.6 | Very high | 81.2 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.7 | 171.4 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | K461 L481 I483 V506 T508 I513 | K461-V511 CarbonylContact O-C 3.52Å; K461-V511 WeakPolarHBondContact O-CA 2.97Å; L481-V511 HydrophobicContact CD1-CG1 4.07Å; L481-V511 HydrophobicContact CD1-CG2 3.88Å; L481-V511 HydrophobicContact CD2-CG1 4.44Å; L481-V511 HydrophobicContact CG-CG1 4.46Å; I483-V511 HydrophobicContact CD1-CG1 4.47Å; V506-V511 HydrophobicContact CB-CG2 4.12Å; V506-V511 HydrophobicContact CG1-CG2 3.61Å; V506-V511 HydrophobicContact CG2-CG2 3.37Å; T508-V511 PolarHBondContact O-N 2.83Å; V511-I513 HydrophobicContact CG1-CD1 4.04Å |
| 512 | E | 90.5 | Very high | 79.2 | Confident | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.6 | 162.6 | -176.6 | 174.2 | -141.4 | 0 | 0 | 108.6 | G460 K461 L463 | G460-E512 CarbonylContact C-O 3.44Å; G460-E512 WeakPolarHBondContact CA-O 3.23Å; K461-E512 PolarHBondContact N-O 3.35Å; K461-E512 PolarHBondContact O-N 2.95Å; L463-E512 HydrophobicContact CD1-CB 4.2Å |
| 513 | I | 91.6 | Very high | 76.9 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.9 | 177.5 | -69.7 | -50.3 | 0 | 0 | 0 | 110.1 | Q458 I483 W494 V511 F515 | Q458-I513 HydrophobicContact CG-CD1 3.92Å; Q458-I513 HydrophobicContact CG-CG2 3.74Å; I483-I513 HydrophobicContact CG1-CD1 4.2Å; W494-I513 HydrophobicContact CE3-CD1 4.5Å; W494-I513 HydrophobicContact CH2-CD1 4.32Å; W494-I513 HydrophobicContact CH2-CG1 4.2Å; W494-I513 HydrophobicContact CZ3-CD1 3.67Å; W494-I513 HydrophobicContact CZ3-CG1 3.99Å; V511-I513 HydrophobicContact CG1-CD1 4.04Å; I513-F515 HydrophobicContact CB-CD2 4.37Å; I513-F515 HydrophobicContact CB-CE1 4.43Å; I513-F515 HydrophobicContact CB-CE2 3.92Å; I513-F515 HydrophobicContact CB-CZ 3.96Å; I513-F515 HydrophobicContact CG2-CD1 4.06Å; I513-F515 HydrophobicContact CG2-CD2 4.22Å; I513-F515 HydrophobicContact CG2-CE1 3.97Å; I513-F515 HydrophobicContact CG2-CE2 4.13Å; I513-F515 HydrophobicContact CG2-CG 4.19Å; I513-F515 HydrophobicContact CG2-CZ 4Å; I513-F515 WeakPolarHBondContact O-CD2 3.23Å; I513-F515 PolarHBondContact O-N 2.65Å |
| 514 | D | 86.2 | Confident | 74.7 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | trans | -79.2 | 88.2 | 169.5 | 179.9 | 7.8 | 0 | 0 | 0 | 109.8 | K459 N516 S517 L518 | K459-D514 PolarHBondContact O-N 2.88Å; D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CA 3.48Å; D514-N516 WeakPolarHBondContact OD1-CB 3.49Å; D514-N516 PolarHBondContact OD1-N 3.39Å; D514-S517 PolarHBondContact O-N 2.82Å; D514-S517 PolarHBondContact OD1-N 2.98Å; D514-S517 WeakPolarHBondContact OD2-CB 3.48Å; D514-S517 PolarHBondContact OD2-N 3.29Å; D514-S517 PolarHBondContact OD2-OG 3.1Å; D514-L518 PolarHBondContact O-N 3.26Å | ||
| 515 | F | 79.4 | Confident | 72.2 | Confident | 135 Ų | 135 | 86.5 Ų | 86.5 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.5 | -18.2 | 174.4 | -64.2 | -80.8 | 0 | 0 | 0 | 113.2 | I513 L518 K519 | I513-F515 HydrophobicContact CB-CD2 4.37Å; I513-F515 HydrophobicContact CB-CE1 4.43Å; I513-F515 HydrophobicContact CB-CE2 3.92Å; I513-F515 HydrophobicContact CB-CZ 3.96Å; I513-F515 HydrophobicContact CG2-CD1 4.06Å; I513-F515 HydrophobicContact CG2-CD2 4.22Å; I513-F515 HydrophobicContact CG2-CE1 3.97Å; I513-F515 HydrophobicContact CG2-CE2 4.13Å; I513-F515 HydrophobicContact CG2-CG 4.19Å; I513-F515 HydrophobicContact CG2-CZ 4Å; I513-F515 WeakPolarHBondContact O-CD2 3.23Å; I513-F515 PolarHBondContact O-N 2.65Å; F515-L518 HydrophobicContact CD1-CD2 4.45Å; F515-L518 WeakPolarHBondContact O-CB 3.48Å; F515-L518 PolarHBondContact O-N 2.78Å; F515-K519 PolarHBondContact O-N 3.38Å |
| 516 | N | 72.3 | Confident | 69.8 | Low | 107 Ų | 107 | 87.9 Ų | 87.9 | 57% | 0.572 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -77.8 | -42.7 | 177.8 | -137.3 | 36.1 | 0 | 0 | 0 | 110.5 | D514 L518 K519 N520 | D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CA 3.48Å; D514-N516 WeakPolarHBondContact OD1-CB 3.49Å; D514-N516 PolarHBondContact OD1-N 3.39Å; N516-L518 PolarHBondContact O-N 3.01Å; N516-K519 PolarHBondContact O-N 3.26Å; N516-N520 PolarHBondContact O-N 2.81Å; N516-N520 VanDerWaalsContact O-N 3.09Å |
| 517 | S | 63.7 | Low | 67.1 | Low | 41 Ų | 41 | 97.9 Ų | 97.9 | 29% | 0.287 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -24.2 | 165 | -75.6 | 0 | 0 | 0 | 0 | 113 | D514 R521 | D514-S517 PolarHBondContact O-N 2.82Å; D514-S517 PolarHBondContact OD1-N 2.98Å; D514-S517 WeakPolarHBondContact OD2-CB 3.48Å; D514-S517 PolarHBondContact OD2-N 3.29Å; D514-S517 PolarHBondContact OD2-OG 3.1Å; S517-R521 PolarHBondContact O-N 3.39Å |
| 518 | L | 60.2 | Low | 64.1 | Low | 71 Ų | 71 | 101 Ų | 101 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.4 | -41.1 | 177 | -146.9 | 72 | 0 | 0 | 0 | 112.7 | Q458 D514 F515 N516 N520 R521 | Q458-L518 HydrophobicContact CB-CD1 4.16Å; Q458-L518 HydrophobicContact CG-CD1 3.92Å; D514-L518 PolarHBondContact O-N 3.26Å; F515-L518 HydrophobicContact CD1-CD2 4.45Å; F515-L518 WeakPolarHBondContact O-CB 3.48Å; F515-L518 PolarHBondContact O-N 2.78Å; N516-L518 PolarHBondContact O-N 3.01Å; L518-N520 VanDerWaalsContact C-N 3.29Å; L518-N520 PolarHBondContact O-N 3.01Å; L518-R521 PolarHBondContact O-N 3.32Å |
| 519 | K | 57.7 | Low | 62 | Low | 172 Ų | 172 | 103 Ų | 103 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.5 | -30.4 | 174 | -73.1 | -178 | 176.8 | -173.6 | 0 | 113.1 | F515 N516 | F515-K519 PolarHBondContact O-N 3.38Å; N516-K519 PolarHBondContact O-N 3.26Å |
| 520 | N | 53.2 | Low | 60.2 | Low | 130 Ų | 130 | 106.8 Ų | 106.8 | 70% | 0.695 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 4.4 | -178.6 | -65.1 | 7.3 | 0 | 0 | 0 | 113.4 | N516 L518 | N516-N520 PolarHBondContact O-N 2.81Å; N516-N520 VanDerWaalsContact O-N 3.09Å; L518-N520 VanDerWaalsContact C-N 3.29Å; L518-N520 PolarHBondContact O-N 3.01Å |
| 521 | R | 48 | Very low | 58 | Low | 107 Ų | 107 | 112 Ų | 112 | 40% | 0.404 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -93.8 | 127.6 | 165.3 | -166.2 | 177.8 | -171.2 | -177.2 | 3 | 107.4 | E455 V456 I457 S517 L518 A523 | E455-R521 IonicContact OE2-NH2 2.7Å; V456-R521 PolarHBondContact O-NH1 3.09Å; I457-R521 PolarHBondContact O-NH1 3.16Å; S517-R521 PolarHBondContact O-N 3.39Å; L518-R521 PolarHBondContact O-N 3.32Å; R521-A523 PolarHBondContact O-N 3.18Å |
| 522 | P | 41.2 | Very low | 55.4 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | trans | -56.9 | 135.4 | 172.7 | 25.3 | -33.8 | 0 | 0 | 0 | 108.8 | Q524 | P522-Q524 PolarHBondContact O-N 2.79Å; P522-Q524 VanDerWaalsContact O-N 3.07Å | ||
| 523 | A | 40.8 | Very low | 53.2 | Low | 83 Ų | 83 | 122.4 Ų | 122.4 | 69% | 0.686 | 63% | 0.625 | S | S | * | * | trans | -61.7 | 115.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R521 L525 | R521-A523 PolarHBondContact O-N 3.18Å; A523-L525 PolarHBondContact O-N 3.11Å | ||
| 524 | Q | 45.3 | Very low | 50.9 | Low | 179 Ų | 179 | 127.4 Ų | 127.4 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -77.4 | 64.3 | 166.9 | -76.6 | -71.5 | -73.5 | 0 | 0 | 109.2 | P522 | P522-Q524 PolarHBondContact O-N 2.79Å; P522-Q524 VanDerWaalsContact O-N 3.07Å | ||
| 525 | L | 39.4 | Very low | 48.7 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -96.2 | 113.9 | 162.6 | -138.3 | 168.4 | 0 | 0 | 0 | 104.6 | A523 | A523-L525 PolarHBondContact O-N 3.11Š| ||
| 526 | G | 43.2 | Very low | 46.8 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -63.1 | 156.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 527 | Y | 38.3 | Very low | 45.5 | Very low | 214 Ų | 214 | 132.8 Ų | 132.8 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | trans | 76.7 | 74.4 | -163.4 | -124.8 | -91.4 | 0 | 0 | 0 | 113 | P529 | Y527-P529 WeakPolarHBondContact O-CD 3.35Š| ||
| 528 | E | 30 | Very low | 44.3 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -70.1 | 118.4 | 142.1 | 172.7 | 170.7 | -126.6 | 0 | 0 | 106.8 | ||||
| 529 | P | 47.5 | Very low | 43.4 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 53% | 0.532 | 73% | 0.73 | S | S | . | * | trans | -69 | 137.5 | 157.3 | -5.7 | 23.7 | 0 | 0 | 0 | 107.3 | Y527 I531 | Y527-P529 WeakPolarHBondContact O-CD 3.35Å; P529-I531 VanDerWaalsContact C-N 3.33Å; P529-I531 PolarHBondContact O-N 3.37Å | ||
| 530 | E | 53.4 | Low | 42.7 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | trans | -64.5 | 93.8 | 173.2 | -68.4 | 169.1 | 135.7 | 0 | 0 | 109.2 | Y532 | E530-Y532 PolarHBondContact O-N 2.98Å; E530-Y532 VanDerWaalsContact O-N 3.1Å | ||
| 531 | I | 44.3 | Very low | 42 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | -75.7 | 98.7 | 171.2 | -61.3 | 177.2 | 0 | 0 | 0 | 106.1 | P529 D533 | P529-I531 VanDerWaalsContact C-N 3.33Å; P529-I531 PolarHBondContact O-N 3.37Å; I531-D533 PolarHBondContact O-N 2.83Å | ||
| 532 | Y | 37 | Very low | 41.5 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | -34 | 129.3 | 177.7 | -86.8 | -104.9 | 0 | 0 | 0 | 113.6 | E530 D534 | E530-Y532 PolarHBondContact O-N 2.98Å; E530-Y532 VanDerWaalsContact O-N 3.1Å; Y532-D534 HydrophobicContact CD1-CB 4.46Å; Y532-D534 WeakPolarHBondContact CD1-OD1 3.36Å; Y532-D534 PolarHBondContact O-N 3.17Å | ||
| 533 | D | 43.9 | Very low | 41.3 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -79.6 | 37 | 177.7 | -158.1 | 26.2 | 0 | 0 | 0 | 111.2 | I531 | I531-D533 PolarHBondContact O-N 2.83Š|
| 534 | D | 43.7 | Very low | 41.4 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | trans | -113.1 | 7.5 | -164.7 | -69.8 | 47.1 | 0 | 0 | 0 | 112.4 | Y532 | Y532-D534 HydrophobicContact CD1-CB 4.46Å; Y532-D534 WeakPolarHBondContact CD1-OD1 3.36Å; Y532-D534 PolarHBondContact O-N 3.17Å | ||
| 535 | I | 40.3 | Very low | 41.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -111 | 80.7 | -178.1 | -49 | -177.1 | 0 | 0 | 0 | 110.1 | V537 | I535-V537 PolarHBondContact O-N 2.86Š| ||
| 536 | D | 39.7 | Very low | 41.5 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -55.2 | 102.4 | 165.9 | -101.1 | -42.2 | 0 | 0 | 0 | 110.4 | V538 | D536-V538 HydrophobicContact CB-CG2 4.46Å; D536-V538 PolarHBondContact O-N 3.22Å | ||
| 537 | V | 44.6 | Very low | 41 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -77.7 | 71 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | I535 S539 | I535-V537 PolarHBondContact O-N 2.86Å; V537-S539 PolarHBondContact O-N 3.33Å | ||
| 538 | V | 38.9 | Very low | 41.3 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 103.9 | 168.5 | 168 | 0 | 0 | 0 | 0 | 108.8 | D536 G540 | D536-V538 HydrophobicContact CB-CG2 4.46Å; D536-V538 PolarHBondContact O-N 3.22Å; V538-G540 PolarHBondContact O-N 3.15Å | ||
| 539 | S | 41.2 | Very low | 41.6 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -69.1 | 110.8 | 160.2 | -64.4 | 0 | 0 | 0 | 0 | 107.5 | V537 | V537-S539 PolarHBondContact O-N 3.33Š| ||
| 540 | G | 42.8 | Very low | 41.4 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 160 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V538 | V538-G540 PolarHBondContact O-N 3.15Š| ||
| 541 | D | 37.9 | Very low | 40.9 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -143.6 | 175.8 | 152.7 | -159.5 | -0.1 | 0 | 0 | 0 | 109.5 | ||||
| 542 | N | 38.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 147 | -163.7 | -69.4 | -95.6 | 0 | 0 | 0 | 114.8 | ||||
| 543 | G | 36.1 | Very low | 41.3 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 158.8 | 95.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 544 | G | 44.1 | Very low | 41.6 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -88.2 | 130.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 545 | V | 40.5 | Very low | 41.9 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -141.8 | 160.1 | 163.9 | -96.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 546 | K | 45.2 | Very low | 42.4 | Very low | 219 Ų | 219 | 123.2 Ų | 123.2 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | trans | -95.8 | 137.8 | -165.1 | -58.2 | 177.4 | -178 | 178.6 | 0 | 112.8 | ||||
| 547 | G | 34.5 | Very low | 42.4 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -130.5 | 154.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 548 | P | 44.2 | Very low | 42.1 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 155 | -167.3 | 32.8 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 549 | A | 36 | Very low | 42.5 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -80 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 550 | V | 42.2 | Very low | 42.7 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -116.4 | 117.3 | 152.1 | 178.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 551 | V | 43.7 | Very low | 42.9 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 123.3 | -177 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 552 | L | 40.3 | Very low | 43.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 136.8 | 162.9 | -72 | 172.4 | 0 | 0 | 0 | 109 | ||
| 553 | P | 49.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 147.7 | -176.9 | 30.5 | -34.9 | 0 | 0 | 0 | 111.6 | ||
| 554 | P | 51.2 | Low | 43.9 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 145.9 | 173.7 | 30 | -34.6 | 0 | 0 | 0 | 111 | ||
| 555 | P | 49.8 | Very low | 44 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.7 | 166.2 | 29.2 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 556 | P | 51 | Low | 44.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 151.8 | -177.3 | 28.8 | -35.3 | 0 | 0 | 0 | 112.3 | ||
| 557 | G | 38.5 | Very low | 43.9 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 161.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 558 | E | 39.2 | Very low | 44.1 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -119.1 | 60.1 | 169.5 | -167.5 | 170.2 | -143.1 | 0 | 0 | 109.1 | ||||
| 559 | D | 46.7 | Very low | 44.4 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -85.7 | 108.4 | 167.2 | 46.4 | -43.7 | 0 | 0 | 0 | 109.9 | ||||
| 560 | G | 45.3 | Very low | 44.4 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -148.3 | 35.9 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 561 | E | 46.7 | Very low | 44.3 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | 48.6 | 75.2 | 149 | -61.7 | -68 | 172.7 | 0 | 0 | 118.8 | ||||
| 562 | I | 47.4 | Very low | 44.1 | Very low | 169 Ų | 169 | 139 Ų | 139 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -134.3 | 89.4 | 146.8 | -54.2 | -178.1 | 0 | 0 | 0 | 109.3 | ||||
| 563 | Y | 40.5 | Very low | 44.1 | Very low | 215 Ų | 215 | 137.2 Ų | 137.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -105.9 | 132.3 | 163.9 | -108.2 | -90.6 | 0 | 0 | 0 | 108.9 | ||||
| 564 | D | 45.4 | Very low | 43.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 157.3 | 139.3 | 153.3 | -93.1 | 1.9 | 0 | 0 | 0 | 109 | ||||
| 565 | D | 46.3 | Very low | 43.2 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | cis | -151.7 | 175.9 | -18.1 | -165.2 | 9 | 0 | 0 | 0 | 108.3 | ||||
| 566 | V | 43.4 | Very low | 42.5 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -81 | 170.5 | -170.4 | -76.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 567 | V | 39.7 | Very low | 41.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 102 | 84.5 | 159.7 | -166.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 568 | D | 39.6 | Very low | 42 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 65.9 | -164.4 | 118 | -130 | 28.8 | 0 | 0 | 0 | 118.5 | |||||
| 569 | P | 49.4 | Very low | 41.8 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | -125.7 | 99.1 | -84 | 34.1 | -17.2 | 0 | 0 | 0 | 115.4 | |||||
| 570 | N | 36.7 | Very low | 41.1 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -178.7 | 121.5 | 143.2 | -114.6 | -24.2 | 0 | 0 | 0 | 114 | ||||
| 571 | L | 40.9 | Very low | 40.5 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -156.3 | 80.3 | 141.9 | -152.8 | 70 | 0 | 0 | 0 | 112.2 | V573 | L571-V573 PolarHBondContact O-N 2.88Š| ||
| 572 | E | 38.7 | Very low | 39.8 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 110.9 | 164 | -72.9 | -169.8 | 99.6 | 0 | 0 | 110.7 | ||||
| 573 | V | 41.2 | Very low | 39.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -128.9 | 73.1 | 152.6 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | L571 L575 | L571-V573 PolarHBondContact O-N 2.88Å; V573-L575 PolarHBondContact O-N 3.01Å | ||
| 574 | R | 33.4 | Very low | 38.6 | Very low | 209 Ų | 209 | 136.3 Ų | 136.3 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | trans | -45.9 | 124.9 | 157.1 | 179.6 | -173.8 | -164.1 | 148.5 | -1 | 110.2 | P576 | R574-P576 WeakPolarHBondContact O-CD 3.49Š| ||
| 575 | L | 47.1 | Very low | 37.9 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -81.6 | 119.2 | 178.1 | -69.7 | 170.5 | 0 | 0 | 0 | 112.4 | V573 | V573-L575 PolarHBondContact O-N 3.01Š| ||
| 576 | P | 35.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -126.6 | 164.5 | 145.4 | 39.5 | -32.8 | 0 | 0 | 0 | 113 | R574 | R574-P576 WeakPolarHBondContact O-CD 3.49Š| ||
| 577 | A | 37.8 | Very low | 36.8 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -79.1 | -177.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 578 | P | 42.3 | Very low | 37 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -152.2 | -180 | 37 | 42.4 | -19.4 | 0 | 0 | 0 | 119.9 | ||||
| 579 | D | 33.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | trans | 86.8 | 137.9 | 133.9 | -97.8 | 14.4 | 0 | 0 | 0 | 125.8 | ||||
| 580 | Q | 33.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 64 | 120.4 | 145.7 | -66.7 | 172.5 | 53 | 0 | 0 | 121.2 | ||||
| 581 | F | 32.6 | Very low | 37.1 | Very low | 213 Ų | 213 | 128.9 Ų | 128.9 | 93% | 0.934 | 80% | 0.801 | S | S | * | * | -151.3 | 160.2 | 103.6 | -114.2 | -80 | 0 | 0 | 0 | 110.6 | |||||
| 582 | A | 30.9 | Very low | 37.6 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -132.8 | 153.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 583 | A | 33.3 | Very low | 37.8 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -161.2 | 157.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 584 | A | 30.6 | Very low | 37.9 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 170.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 585 | G | 29.7 | Very low | 38.2 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | cis | 140.1 | 163.1 | 2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 586 | N | 33.4 | Very low | 38.3 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | 62.4 | 105.8 | -179.6 | -67.5 | -36.5 | 0 | 0 | 0 | 118.5 | ||||
| 587 | A | 34.1 | Very low | 38.6 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -167.1 | 158.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 588 | A | 42.8 | Very low | 38.7 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -151.6 | 168.9 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 589 | P | 47.7 | Very low | 39.3 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | cis | -115.1 | -179.9 | -24.3 | 38.5 | -25.4 | 0 | 0 | 0 | 111.6 | ||||
| 590 | A | 38.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -87.1 | 147.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 591 | A | 42.1 | Very low | 40.2 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 148.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 592 | P | 50.8 | Low | 40.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 157.1 | -170.7 | 38.2 | -34.9 | 0 | 0 | 0 | 114.8 | ||||
| 593 | I | 43.3 | Very low | 41.4 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -142.6 | 129.8 | 152.7 | 50.2 | 177.5 | 0 | 0 | 0 | 105.1 | ||||
| 594 | D | 43.9 | Very low | 41.8 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | cis | 66.8 | 81.9 | 3.3 | -148.7 | 40.4 | 0 | 0 | 0 | 115.2 | ||||
| 595 | E | 40 | Very low | 42.4 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 146.2 | 142.9 | -124.2 | 166.5 | -157.1 | 0 | 0 | 109.1 | ||||
| 596 | E | 47.8 | Very low | 43.5 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -99.3 | -141.9 | -168.6 | -55 | 173.1 | 113.8 | 0 | 0 | 111.7 | ||||
| 597 | I | 42.8 | Very low | 44.4 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 60% | 0.6 | 78% | 0.783 | S | S | * | * | trans | 79.3 | 84 | 157.3 | -35.3 | 176.7 | 0 | 0 | 0 | 117.1 | ||||
| 598 | Y | 38.7 | Very low | 45.3 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | 176.5 | 120.7 | 105.6 | -92.3 | -65.2 | 0 | 0 | 0 | 107.5 | |||||
| 599 | D | 55.3 | Low | 45.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | 76.9 | 133.3 | 23 | -149.9 | 17 | 0 | 0 | 0 | 115.2 | ||||
| 600 | D | 42.1 | Very low | 45.7 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 55.3 | 151.9 | -163.3 | -75.4 | -42.5 | 0 | 0 | 0 | 115.9 | ||||
| 601 | V | 44 | Very low | 46 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | cis | -137.4 | 145.8 | 15 | -139.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 602 | D | 39.5 | Very low | 46.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | trans | 51 | 114.3 | 153.2 | -125.5 | -34.1 | 0 | 0 | 0 | 122.2 | Q604 | D602-Q604 WeakPolarHBondContact OD1-CB 3.41Å; D602-Q604 PolarHBondContact OD1-N 3.25Å | ||
| 603 | S | 48 | Very low | 45.8 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -148.9 | 55.5 | 145.6 | -74.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 604 | Q | 42.5 | Very low | 45.8 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 154.5 | 176.1 | -76 | -150.3 | -16.7 | 0 | 0 | 113.4 | D602 | D602-Q604 WeakPolarHBondContact OD1-CB 3.41Å; D602-Q604 PolarHBondContact OD1-N 3.25Å | ||
| 605 | N | 42.6 | Very low | 45.5 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | 74.9 | 58 | 150.6 | -152 | 82.2 | 0 | 0 | 0 | 118.6 | ||||
| 606 | A | 53.6 | Low | 45.6 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | -98.3 | 132.6 | 126.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||
| 607 | P | 52.3 | Low | 45 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.6 | 175.4 | 28.6 | -34 | 0 | 0 | 0 | 110.4 | ||
| 608 | P | 53.4 | Low | 44.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 139.1 | 177.2 | 27.1 | -34.2 | 0 | 0 | 0 | 110.2 | ||
| 609 | P | 51.9 | Low | 44.9 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.6 | 174 | 26.3 | -34.1 | 0 | 0 | 0 | 110.1 | ||
| 610 | P | 46.2 | Very low | 44.2 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 147.7 | 178.2 | 26 | -34.4 | 0 | 0 | 0 | 110.5 | I612 | P610-I612 PolarHBondContact O-N 2.89Š|
| 611 | P | 46.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126 | -175.3 | 24.7 | -34.1 | 0 | 0 | 0 | 111 | S613 | P611-S613 VanDerWaalsContact C-N 3.32Å; P611-S613 PolarHBondContact O-N 3.32Å |
| 612 | I | 43.3 | Very low | 43.8 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -62.3 | 89.2 | 175.2 | 41.7 | 171.1 | 0 | 0 | 0 | 110.9 | P610 | P610-I612 PolarHBondContact O-N 2.89Š|
| 613 | S | 43.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -139.1 | 28 | 176.7 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | P611 | P611-S613 VanDerWaalsContact C-N 3.32Å; P611-S613 PolarHBondContact O-N 3.32Å | ||
| 614 | S | 44.3 | Very low | 43.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -141.6 | 75.9 | -173.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 615 | L | 37.4 | Very low | 43.7 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -171 | 129.5 | 154.7 | -104.6 | 161.6 | 0 | 0 | 0 | 109.2 | G617 | L615-G617 PolarHBondContact O-N 3.06Š| ||
| 616 | P | 41.8 | Very low | 44 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -91.1 | 81.8 | -166.7 | 35.3 | -34.3 | 0 | 0 | 0 | 113.2 | M618 | P616-M618 PolarHBondContact O-N 3.39Å; P616-M618 VanDerWaalsContact O-N 3.11Å | ||
| 617 | G | 34.5 | Very low | 44.1 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -62 | 112.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L615 K619 | L615-G617 PolarHBondContact O-N 3.06Å; G617-K619 PolarHBondContact O-N 3.16Å | ||
| 618 | M | 42.4 | Very low | 44.7 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -74 | 55.8 | -174.6 | -76.3 | -179.7 | 64.1 | 0 | 0 | 115 | P616 G620 | P616-M618 PolarHBondContact O-N 3.39Å; P616-M618 VanDerWaalsContact O-N 3.11Å; M618-G620 PolarHBondContact O-N 2.8Å | ||
| 619 | K | 38.8 | Very low | 45.7 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 73% | 0.726 | 71% | 0.71 | S | S | * | * | trans | 32.8 | 63.4 | 130.6 | -154.1 | 169.6 | -170.9 | 167.8 | 0 | 117.9 | G617 K621 | G617-K619 PolarHBondContact O-N 3.16Å; K619-K621 HydrophobicContact CG-CB 4.27Å; K619-K621 PolarHBondContact O-N 3.3Å | ||
| 620 | G | 39.7 | Very low | 46.6 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -65.8 | 40.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M618 | M618-G620 PolarHBondContact O-N 2.8Š| ||
| 621 | K | 36.8 | Very low | 47.8 | Very low | 171 Ų | 171 | 123 Ų | 123 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -109.9 | 103.5 | 176.1 | -79 | -171.1 | 174.5 | 179.5 | 0 | 109.9 | K619 K623 | K619-K621 HydrophobicContact CG-CB 4.27Å; K619-K621 PolarHBondContact O-N 3.3Å; K621-K623 PolarHBondContact O-N 3.34Å; K621-K623 VanDerWaalsContact O-N 3.17Å | ||
| 622 | N | 41.2 | Very low | 49.2 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | trans | -41.2 | 110.6 | -177.1 | -63.6 | -38.4 | 0 | 0 | 0 | 113.6 | A624 | N622-A624 HydrophobicContact CB-CB 4.47Å; N622-A624 PolarHBondContact O-N 2.97Å | ||
| 623 | K | 41.1 | Very low | 50.9 | Low | 164 Ų | 164 | 119 Ų | 119 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 33.3 | 171.5 | -67.9 | 179.9 | -178.6 | 166.7 | 0 | 113 | K621 | K621-K623 PolarHBondContact O-N 3.34Å; K621-K623 VanDerWaalsContact O-N 3.17Å |
| 624 | A | 47.2 | Very low | 52.5 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -24.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N622 | N622-A624 HydrophobicContact CB-CB 4.47Å; N622-A624 PolarHBondContact O-N 2.97Å |
| 625 | E | 39.9 | Very low | 54.2 | Low | 162 Ų | 162 | 115.7 Ų | 115.7 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -23.4 | -169.1 | -162 | 174.8 | 178.4 | 0 | 0 | 114.4 | ||
| 626 | D | 47.6 | Very low | 56.3 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 53.6 | -177.9 | -156.1 | -14.6 | 0 | 0 | 0 | 112.3 | ||
| 627 | M | 56.6 | Low | 58.3 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 39% | 0.389 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -121.9 | 125.2 | 170.3 | -84.4 | -68.7 | 128.4 | 0 | 0 | 110.9 | K631 F635 | M627-K631 HydrophobicContact SD-CB 4.44Å; M627-K631 HydrophobicContact SD-CD 3.84Å; M627-F635 HydrophobicContact CG-CE2 4.08Å; M627-F635 HydrophobicContact SD-CE2 3.66Å; M627-F635 HydrophobicContact SD-CZ 4.02Å |
| 628 | D | 65.4 | Low | 60.7 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | trans | -47.3 | 127.7 | 175.5 | 173.8 | -4.6 | 0 | 0 | 0 | 110.3 | K630 K631 Q632 | D628-K630 PolarHBondContact O-N 2.95Å; D628-K630 VanDerWaalsContact OD1-CB 3.24Å; D628-K630 WeakPolarHBondContact OD1-CB 3.47Å; D628-K630 PolarHBondContact OD1-N 3.28Å; D628-K631 HydrophobicContact CB-CB 4.3Å; D628-K631 HydrophobicContact CB-CG 4.26Å; D628-K631 CarbonylContact O-C 3.59Å; D628-K631 WeakPolarHBondContact O-CA 3.19Å; D628-K631 WeakPolarHBondContact O-CB 3.46Å; D628-K631 PolarHBondContact O-N 3.32Å; D628-Q632 PolarHBondContact O-N 3.3Å | ||
| 629 | P | 74.1 | Confident | 62.7 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -4.5 | 177.8 | 25.1 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 630 | K | 70.4 | Confident | 64.7 | Low | 153 Ų | 153 | 109.2 Ų | 109.2 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -86.6 | -30.8 | 164.2 | -167.3 | -177 | 177.8 | -173.4 | 0 | 113.1 | D628 | D628-K630 PolarHBondContact O-N 2.95Å; D628-K630 VanDerWaalsContact OD1-CB 3.24Å; D628-K630 WeakPolarHBondContact OD1-CB 3.47Å; D628-K630 PolarHBondContact OD1-N 3.28Å |
| 631 | K | 71.3 | Confident | 66.8 | Low | 82 Ų | 82 | 109.4 Ų | 109.4 | 36% | 0.357 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.3 | -46.6 | 167.1 | -75.5 | -166.3 | 173.4 | -160 | 0 | 110.8 | M627 D628 K633 K634 F635 | M627-K631 HydrophobicContact SD-CB 4.44Å; M627-K631 HydrophobicContact SD-CD 3.84Å; D628-K631 HydrophobicContact CB-CB 4.3Å; D628-K631 HydrophobicContact CB-CG 4.26Å; D628-K631 CarbonylContact O-C 3.59Å; D628-K631 WeakPolarHBondContact O-CA 3.19Å; D628-K631 WeakPolarHBondContact O-CB 3.46Å; D628-K631 PolarHBondContact O-N 3.32Å; K631-K633 PolarHBondContact O-N 3.48Å; K631-K634 WeakPolarHBondContact O-CA 3.48Å; K631-K634 VanDerWaalsContact O-CB 3.3Å; K631-K634 WeakPolarHBondContact O-CB 3.06Å; K631-K634 PolarHBondContact O-N 2.85Å; K631-F635 HydrophobicContact CB-CE1 4.32Å; K631-F635 HydrophobicContact CB-CE2 4.24Å; K631-F635 HydrophobicContact CB-CZ 4.04Å; K631-F635 HydrophobicContact CD-CZ 4.18Å; K631-F635 WeakPolarHBondContact O-CD1 3.39Å; K631-F635 WeakPolarHBondContact O-CG 3.07Å; K631-F635 PolarHBondContact O-N 3.25Å |
| 632 | Q | 76 | Confident | 69.1 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -54.6 | -48.6 | -179.3 | -168.3 | -177.5 | 12 | 0 | 0 | 112.6 | D628 K634 F635 E636 | D628-Q632 PolarHBondContact O-N 3.3Å; Q632-K634 VanDerWaalsContact C-N 3.26Å; Q632-K634 PolarHBondContact O-N 3.13Å; Q632-F635 WeakPolarHBondContact O-CB 3.34Å; Q632-F635 PolarHBondContact O-N 3.29Å; Q632-F635 VanDerWaalsContact O-N 3.13Å; Q632-E636 PolarHBondContact O-N 3.02Å |
| 633 | K | 78.3 | Confident | 71.1 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -19.6 | 175.9 | 179.1 | 158.7 | 179.6 | 148.4 | 0 | 114.1 | L427 K631 | L427-K633 VanDerWaalsContact CD1-NZ 3.3Å; K631-K633 PolarHBondContact O-N 3.48Å |
| 634 | K | 77.7 | Confident | 73.2 | Confident | 121 Ų | 121 | 99.7 Ų | 99.7 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.2 | -52.5 | 166.4 | -76.3 | -179 | 161.7 | -158.6 | 0 | 109.7 | K631 Q632 E636 K637 E638 | K631-K634 WeakPolarHBondContact O-CA 3.48Å; K631-K634 VanDerWaalsContact O-CB 3.3Å; K631-K634 WeakPolarHBondContact O-CB 3.06Å; K631-K634 PolarHBondContact O-N 2.85Å; Q632-K634 VanDerWaalsContact C-N 3.26Å; Q632-K634 PolarHBondContact O-N 3.13Å; K634-E636 VanDerWaalsContact C-N 3.33Å; K634-E636 PolarHBondContact O-N 2.96Å; K634-K637 WeakPolarHBondContact O-CA 3.26Å; K634-K637 WeakPolarHBondContact O-CB 3.42Å; K634-K637 PolarHBondContact O-N 2.98Å; K634-E638 WeakPolarHBondContact O-CG 3.46Å; K634-E638 PolarHBondContact O-N 3.01Å |
| 635 | F | 79.9 | Confident | 74.8 | Confident | 26 Ų | 26 | 99.8 Ų | 99.8 | 11% | 0.114 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -54.1 | -48.1 | -177.6 | -61.7 | -12.9 | 0 | 0 | 0 | 111.8 | M627 K631 Q632 K637 E638 E639 R696 | M627-F635 HydrophobicContact CG-CE2 4.08Å; M627-F635 HydrophobicContact SD-CE2 3.66Å; M627-F635 HydrophobicContact SD-CZ 4.02Å; K631-F635 HydrophobicContact CB-CE1 4.32Å; K631-F635 HydrophobicContact CB-CE2 4.24Å; K631-F635 HydrophobicContact CB-CZ 4.04Å; K631-F635 HydrophobicContact CD-CZ 4.18Å; K631-F635 WeakPolarHBondContact O-CD1 3.39Å; K631-F635 WeakPolarHBondContact O-CG 3.07Å; K631-F635 PolarHBondContact O-N 3.25Å; Q632-F635 WeakPolarHBondContact O-CB 3.34Å; Q632-F635 PolarHBondContact O-N 3.29Å; Q632-F635 VanDerWaalsContact O-N 3.13Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.1Å; F635-E638 PolarHBondContact O-N 3.44Å; F635-E639 WeakPolarHBondContact O-CB 3.37Å; F635-E639 PolarHBondContact O-N 2.91Å; F635-R696 VanDerWaalsContact CG-NH2 3.31Å |
| 636 | E | 81.4 | Confident | 76.7 | Confident | 126 Ų | 126 | 93.7 Ų | 93.7 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.1 | -36.3 | 175.5 | -176.3 | -173.6 | -164.7 | 0 | 0 | 113.1 | Q632 K634 K640 | Q632-E636 PolarHBondContact O-N 3.02Å; K634-E636 VanDerWaalsContact C-N 3.33Å; K634-E636 PolarHBondContact O-N 2.96Å; E636-K640 WeakPolarHBondContact O-CB 3.14Å; E636-K640 PolarHBondContact O-N 3.19Å |
| 637 | K | 84.1 | Confident | 78.4 | Confident | 131 Ų | 131 | 96 Ų | 96 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -74.8 | -45.5 | 177.8 | -166.1 | -142.3 | 172.1 | -141.1 | 0 | 111.8 | K634 F635 E639 K640 E641 | K634-K637 WeakPolarHBondContact O-CA 3.26Å; K634-K637 WeakPolarHBondContact O-CB 3.42Å; K634-K637 PolarHBondContact O-N 2.98Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.1Å; K637-E639 VanDerWaalsContact C-N 3.3Å; K637-K640 PolarHBondContact O-N 2.89Å; K637-E641 PolarHBondContact O-N 2.72Å |
| 638 | E | 84.9 | Confident | 79.7 | Confident | 52 Ų | 52 | 95.2 Ų | 95.2 | 24% | 0.243 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 176.5 | -59.7 | -68 | 139.9 | 0 | 0 | 110.8 | K634 F635 E641 F642 G700 F702 | K634-E638 WeakPolarHBondContact O-CG 3.46Å; K634-E638 PolarHBondContact O-N 3.01Å; F635-E638 PolarHBondContact O-N 3.44Å; E638-E641 PolarHBondContact O-N 3.38Å; E638-F642 WeakPolarHBondContact O-CB 3.38Å; E638-F642 PolarHBondContact O-N 2.71Å; E638-G700 WeakPolarHBondContact CB-O 3.15Å; E638-F702 HydrophobicContact CB-CD2 4.17Å; E638-F702 HydrophobicContact CB-CE2 4.16Å |
| 639 | E | 83.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 98.6 Ų | 98.6 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 171.9 | 156.7 | 158 | -156.4 | 0 | 0 | 111.8 | F635 K637 E641 F642 R643 I652 F702 | F635-E639 WeakPolarHBondContact O-CB 3.37Å; F635-E639 PolarHBondContact O-N 2.91Å; K637-E639 VanDerWaalsContact C-N 3.3Å; E639-E641 VanDerWaalsContact C-N 3.27Å; E639-E641 PolarHBondContact O-N 3.23Å; E639-F642 WeakPolarHBondContact O-CB 3.37Å; E639-F642 PolarHBondContact O-N 2.79Å; E639-F642 VanDerWaalsContact O-N 3.16Å; E639-R643 WeakPolarHBondContact O-CG 3.46Å; E639-R643 PolarHBondContact O-N 2.87Å; E639-R643 IonicContact OE1-CZ 2.65Å; E639-R643 VanDerWaalsContact OE1-CZ 3.31Å; E639-R643 IonicContact OE1-NE 2.8Å; E639-R643 PolarHBondContact OE1-NE 2.85Å; E639-R643 IonicContact OE1-NH2 3.51Å; E639-R643 PolarHBondContact OE1-NH2 3.14Å; E639-I652 HydrophobicContact CB-CD1 3.84Å; E639-I652 HydrophobicContact CG-CD1 3.48Å; E639-I652 VanDerWaalsContact CG-CD1 3.48Å; E639-I652 HydrophobicContact CG-CG1 4.44Å; E639-I652 WeakPolarHBondContact OE1-CD1 3.32Å; E639-F702 HydrophobicContact CB-CE2 4.08Å; E639-F702 HydrophobicContact CB-CZ 4.28Å |
| 640 | K | 81.3 | Confident | 80.5 | Confident | 165 Ų | 165 | 96.8 Ų | 96.8 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.2 | -31.4 | 176.7 | -167.1 | 169.5 | -175.9 | 174 | 0 | 112.1 | E636 K637 K644 | E636-K640 WeakPolarHBondContact O-CB 3.14Å; E636-K640 PolarHBondContact O-N 3.19Å; K637-K640 PolarHBondContact O-N 2.89Å; K640-K644 PolarHBondContact O-N 2.89Å |
| 641 | E | 83.7 | Confident | 81.1 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 38% | 0.379 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.3 | -46.3 | 169 | -172.9 | 173.8 | 145.7 | 0 | 0 | 111.4 | K637 E638 E639 K644 K645 | K637-E641 PolarHBondContact O-N 2.72Å; E638-E641 PolarHBondContact O-N 3.38Å; E639-E641 VanDerWaalsContact C-N 3.27Å; E639-E641 PolarHBondContact O-N 3.23Å; E641-K644 PolarHBondContact O-N 2.99Å; E641-K645 HydrophobicContact CG-CD 4.04Å; E641-K645 WeakPolarHBondContact O-CB 3.41Å; E641-K645 PolarHBondContact O-N 3.02Å; E641-K645 IonicContact OE1-NZ 2.7Å; E641-K645 PolarHBondContact OE1-NZ 2.94Å |
| 642 | F | 85.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 92.9 Ų | 92.9 | 1% | 0.013 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.8 | -54.5 | 178 | 168.6 | -107.1 | 0 | 0 | 0 | 112.3 | E638 E639 K644 K645 F646 Y648 I652 I685 V686 V694 F702 | E638-F642 WeakPolarHBondContact O-CB 3.38Å; E638-F642 PolarHBondContact O-N 2.71Å; E639-F642 WeakPolarHBondContact O-CB 3.37Å; E639-F642 PolarHBondContact O-N 2.79Å; E639-F642 VanDerWaalsContact O-N 3.16Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.44Å; F642-K645 PolarHBondContact O-N 2.88Å; F642-F646 HydrophobicContact CD2-CB 4.01Å; F642-F646 HydrophobicContact CD2-CD1 4.29Å; F642-F646 AromaticContact CD2-CD2 3.27Å; F642-F646 HydrophobicContact CD2-CD2 3.27Å; F642-F646 AromaticContact CD2-CE2 3.74Å; F642-F646 HydrophobicContact CD2-CE2 3.74Å; F642-F646 AromaticContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CZ 4.41Å; F642-F646 HydrophobicContact CE2-CB 3.59Å; F642-F646 AromaticContact CE2-CD1 3.74Å; F642-F646 HydrophobicContact CE2-CD1 3.74Å; F642-F646 AromaticContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CE1 4.28Å; F642-F646 HydrophobicContact CE2-CE2 4.16Å; F642-F646 AromaticContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CZ 4.49Å; F642-F646 HydrophobicContact CG-CD2 4.3Å; F642-F646 HydrophobicContact CZ-CB 4.18Å; F642-F646 HydrophobicContact CZ-CG 4.36Å; F642-F646 WeakPolarHBondContact O-CB 3.4Å; F642-F646 PolarHBondContact O-N 3.23Å; F642-Y648 HydrophobicContact CD1-CD1 4.46Å; F642-Y648 AromaticContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD2 4.16Å; F642-Y648 HydrophobicContact CE1-CE1 4.27Å; F642-Y648 AromaticContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CE1-CG 3.5Å; F642-Y648 VanDerWaalsContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CZ-CD1 4.32Å; F642-Y648 HydrophobicContact CZ-CD2 4.07Å; F642-Y648 AromaticContact CZ-CG 3.8Å; F642-Y648 HydrophobicContact CZ-CG 3.8Å; F642-I652 HydrophobicContact CD1-CD1 3.53Å; F642-I652 HydrophobicContact CD1-CG1 4.36Å; F642-I652 HydrophobicContact CE1-CD1 4Å; F642-I652 HydrophobicContact CE1-CG1 4.37Å; F642-I685 HydrophobicContact CE1-CG2 4.46Å; F642-V686 HydrophobicContact CZ-CG2 4.36Å; F642-V694 HydrophobicContact CD2-CG1 4.21Å; F642-V694 HydrophobicContact CE2-CB 4.41Å; F642-V694 HydrophobicContact CE2-CG1 3.44Å; F642-V694 VanDerWaalsContact CE2-CG1 3.44Å; F642-V694 HydrophobicContact CE2-CG2 4.3Å; F642-V694 HydrophobicContact CZ-CG1 3.91Å; F642-F702 HydrophobicContact CB-CB 3.84Å; F642-F702 HydrophobicContact CB-CD1 4.32Å; F642-F702 HydrophobicContact CB-CD2 3.72Å; F642-F702 HydrophobicContact CB-CE2 4.35Å; F642-F702 HydrophobicContact CB-CG 3.71Å; F642-F702 HydrophobicContact CD1-CD1 4.17Å; F642-F702 HydrophobicContact CD1-CE1 4.44Å; F642-F702 HydrophobicContact CD1-CG 4.39Å; F642-F702 HydrophobicContact CD2-CB 3.57Å; F642-F702 HydrophobicContact CD2-CD1 4.18Å; F642-F702 AromaticContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CE2-CB 4.43Å; F642-F702 HydrophobicContact CG-CB 3.82Å; F642-F702 AromaticContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD2 4.23Å; F642-F702 AromaticContact CG-CG 3.74Å; F642-F702 HydrophobicContact CG-CG 3.74Å |
| 643 | R | 83.3 | Confident | 82 | Confident | 93 Ų | 93 | 93 Ų | 93 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -52.4 | -45.4 | 177.7 | -68 | -179.3 | -175.4 | -124 | 9.2 | 111.1 | E639 K647 Y648 G650 | E639-R643 WeakPolarHBondContact O-CG 3.46Å; E639-R643 PolarHBondContact O-N 2.87Å; E639-R643 IonicContact OE1-CZ 2.65Å; E639-R643 VanDerWaalsContact OE1-CZ 3.31Å; E639-R643 IonicContact OE1-NE 2.8Å; E639-R643 PolarHBondContact OE1-NE 2.85Å; E639-R643 IonicContact OE1-NH2 3.51Å; E639-R643 PolarHBondContact OE1-NH2 3.14Å; R643-K647 VanDerWaalsContact O-CA 3.23Å; R643-K647 WeakPolarHBondContact O-CA 3.26Å; R643-K647 PolarHBondContact O-N 2.8Å; R643-Y648 WeakPolarHBondContact CB-O 3.38Å; R643-Y648 WeakPolarHBondContact CG-O 3.35Å; R643-Y648 PolarHBondContact O-N 2.88Å; R643-Y648 VanDerWaalsContact O-N 3.14Å; R643-G650 PolarHBondContact NH1-O 2.79Å; R643-G650 VanDerWaalsContact NH1-O 3.16Å |
| 644 | K | 85.1 | Confident | 82.5 | Confident | 185 Ų | 185 | 91.9 Ų | 91.9 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.7 | -39.3 | 175.8 | -177.6 | 176 | 179.9 | 177.5 | 0 | 114 | K640 E641 F642 | K640-K644 PolarHBondContact O-N 2.89Å; E641-K644 PolarHBondContact O-N 2.99Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.44Å |
| 645 | K | 80.2 | Confident | 82.9 | Confident | 77 Ų | 77 | 89.7 Ų | 89.7 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -88.4 | -23.3 | -167.5 | -170.3 | 174.4 | -169.3 | 177.3 | 0 | 113.7 | E641 F642 G671 | E641-K645 HydrophobicContact CG-CD 4.04Å; E641-K645 WeakPolarHBondContact O-CB 3.41Å; E641-K645 PolarHBondContact O-N 3.02Å; E641-K645 IonicContact OE1-NZ 2.7Å; E641-K645 PolarHBondContact OE1-NZ 2.94Å; F642-K645 PolarHBondContact O-N 2.88Å; K645-G671 WeakPolarHBondContact CE-O 3.49Å; K645-G671 PolarHBondContact NZ-O 3.07Å; K645-G671 VanDerWaalsContact NZ-O 3.07Å |
| 646 | F | 80.6 | Confident | 83.2 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -111.9 | -5 | 178 | -68.5 | -108.7 | 0 | 0 | 0 | 112.9 | F642 Y648 K672 V694 Y704 | F642-F646 HydrophobicContact CD2-CB 4.01Å; F642-F646 HydrophobicContact CD2-CD1 4.29Å; F642-F646 AromaticContact CD2-CD2 3.27Å; F642-F646 HydrophobicContact CD2-CD2 3.27Å; F642-F646 AromaticContact CD2-CE2 3.74Å; F642-F646 HydrophobicContact CD2-CE2 3.74Å; F642-F646 AromaticContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CZ 4.41Å; F642-F646 HydrophobicContact CE2-CB 3.59Å; F642-F646 AromaticContact CE2-CD1 3.74Å; F642-F646 HydrophobicContact CE2-CD1 3.74Å; F642-F646 AromaticContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CE1 4.28Å; F642-F646 HydrophobicContact CE2-CE2 4.16Å; F642-F646 AromaticContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CZ 4.49Å; F642-F646 HydrophobicContact CG-CD2 4.3Å; F642-F646 HydrophobicContact CZ-CB 4.18Å; F642-F646 HydrophobicContact CZ-CG 4.36Å; F642-F646 WeakPolarHBondContact O-CB 3.4Å; F642-F646 PolarHBondContact O-N 3.23Å; F646-Y648 VanDerWaalsContact C-N 3.28Å; F646-Y648 PolarHBondContact O-N 2.73Å; F646-K672 HydrophobicContact CZ-CB 4.12Å; F646-V694 HydrophobicContact CD1-CG2 3.95Å; F646-V694 HydrophobicContact CE1-CG2 3.93Å; F646-Y704 HydrophobicContact CD1-CE1 4.27Å; F646-Y704 AromaticContact CD1-CE2 4Å; F646-Y704 HydrophobicContact CD1-CE2 4Å; F646-Y704 AromaticContact CD1-CZ 3.72Å; F646-Y704 HydrophobicContact CE1-CD1 4.23Å; F646-Y704 AromaticContact CE1-CD2 3.73Å; F646-Y704 HydrophobicContact CE1-CD2 3.73Å; F646-Y704 AromaticContact CE1-CE1 3.9Å; F646-Y704 HydrophobicContact CE1-CE1 3.9Å; F646-Y704 AromaticContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CG 4.14Å; F646-Y704 AromaticContact CE1-CZ 3.45Å; F646-Y704 VanDerWaalsContact CE1-CZ 3.45Å; F646-Y704 HydrophobicContact CZ-CD2 4.25Å; F646-Y704 HydrophobicContact CZ-CE2 4.15Å |
| 647 | K | 83.4 | Confident | 83.5 | Confident | 196 Ų | 196 | 88 Ų | 88 | 85% | 0.852 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 39.7 | -172.4 | -56.8 | -176 | 177.1 | -175.1 | 0 | 112.6 | R643 | R643-K647 VanDerWaalsContact O-CA 3.23Å; R643-K647 WeakPolarHBondContact O-CA 3.26Å; R643-K647 PolarHBondContact O-N 2.8Å |
| 648 | Y | 83.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | trans | -89.7 | 118.4 | -178 | -172.1 | -92.7 | 0 | 0 | 0 | 110.7 | F642 R643 F646 G650 E651 I652 V686 | F642-Y648 HydrophobicContact CD1-CD1 4.46Å; F642-Y648 AromaticContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD2 4.16Å; F642-Y648 HydrophobicContact CE1-CE1 4.27Å; F642-Y648 AromaticContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CE1-CG 3.5Å; F642-Y648 VanDerWaalsContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CZ-CD1 4.32Å; F642-Y648 HydrophobicContact CZ-CD2 4.07Å; F642-Y648 AromaticContact CZ-CG 3.8Å; F642-Y648 HydrophobicContact CZ-CG 3.8Å; R643-Y648 WeakPolarHBondContact CB-O 3.38Å; R643-Y648 WeakPolarHBondContact CG-O 3.35Å; R643-Y648 PolarHBondContact O-N 2.88Å; R643-Y648 VanDerWaalsContact O-N 3.14Å; F646-Y648 VanDerWaalsContact C-N 3.28Å; F646-Y648 PolarHBondContact O-N 2.73Å; Y648-G650 VanDerWaalsContact CE1-C 3.49Å; Y648-G650 WeakPolarHBondContact CE1-O 3.42Å; Y648-E651 PolarHBondContact OH-O 2.93Å; Y648-E651 VanDerWaalsContact OH-O 3.09Å; Y648-I652 HydrophobicContact CD1-CG1 4.44Å; Y648-I652 HydrophobicContact CE1-CG1 4.18Å; Y648-V686 HydrophobicContact CD2-CG2 3.99Å; Y648-V686 HydrophobicContact CE2-CG2 3.67Å | ||
| 649 | D | 77 | Confident | 83.7 | Confident | 157 Ų | 157 | 80.7 Ų | 80.7 | 84% | 0.84 | 38% | 0.382 | S | S | * | . | trans | -103.6 | -10.7 | -173.8 | -151.9 | 34.5 | 0 | 0 | 0 | 113.4 | ||||
| 650 | G | 79.4 | Confident | 83.8 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -75.8 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R643 Y648 | R643-G650 PolarHBondContact NH1-O 2.79Å; R643-G650 VanDerWaalsContact NH1-O 3.16Å; Y648-G650 VanDerWaalsContact CE1-C 3.49Å; Y648-G650 WeakPolarHBondContact CE1-O 3.42Å |
| 651 | E | 81.1 | Confident | 83.2 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | trans | -75.7 | 138 | 165.2 | -175.9 | 175.7 | -136.6 | 0 | 0 | 110.5 | Y648 Q653 | Y648-E651 PolarHBondContact OH-O 2.93Å; Y648-E651 VanDerWaalsContact OH-O 3.09Å; E651-Q653 VanDerWaalsContact C-N 3.29Å; E651-Q653 HydrophobicContact CB-CG 4.3Å; E651-Q653 HydrophobicContact CG-CG 4.02Å; E651-Q653 PolarHBondContact O-N 3.32Å; E651-Q653 PolarHBondContact OE2-NE2 2.8Å | ||
| 652 | I | 85.4 | Confident | 82.4 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | trans | -78.4 | 82.3 | 175.9 | -59.8 | -168.2 | 0 | 0 | 0 | 109.6 | E639 F642 Y648 I685 F702 | E639-I652 HydrophobicContact CB-CD1 3.84Å; E639-I652 HydrophobicContact CG-CD1 3.48Å; E639-I652 VanDerWaalsContact CG-CD1 3.48Å; E639-I652 HydrophobicContact CG-CG1 4.44Å; E639-I652 WeakPolarHBondContact OE1-CD1 3.32Å; F642-I652 HydrophobicContact CD1-CD1 3.53Å; F642-I652 HydrophobicContact CD1-CG1 4.36Å; F642-I652 HydrophobicContact CE1-CD1 4Å; F642-I652 HydrophobicContact CE1-CG1 4.37Å; Y648-I652 HydrophobicContact CD1-CG1 4.44Å; Y648-I652 HydrophobicContact CE1-CG1 4.18Å; I652-I685 HydrophobicContact CG2-CD1 3.92Å; I652-I685 HydrophobicContact CG2-CG1 4.39Å; I652-I685 HydrophobicContact CG2-CG2 3.83Å; I652-F702 HydrophobicContact CD1-CE1 3.82Å; I652-F702 HydrophobicContact CD1-CZ 3.71Å; I652-F702 HydrophobicContact CG2-CE1 3.59Å; I652-F702 HydrophobicContact CG2-CZ 3.9Å | ||
| 653 | Q | 82.1 | Confident | 81.1 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | trans | -88 | 149.9 | 170.6 | -60.7 | -173.1 | -0.3 | 0 | 0 | 110.6 | E651 I685 | E651-Q653 VanDerWaalsContact C-N 3.29Å; E651-Q653 HydrophobicContact CB-CG 4.3Å; E651-Q653 HydrophobicContact CG-CG 4.02Å; E651-Q653 PolarHBondContact O-N 3.32Å; E651-Q653 PolarHBondContact OE2-NE2 2.8Å; Q653-I685 WeakPolarHBondContact O-CD1 3.39Å | ||
| 654 | V | 88.8 | Confident | 80 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | trans | -95 | 116.9 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | D683 I685 | V654-D683 HydrophobicContact CB-CB 4.38Å; V654-D683 HydrophobicContact CG1-CB 3.64Å; V654-D683 HydrophobicContact CG2-CB 3.82Å; V654-I685 HydrophobicContact CG2-CD1 3.97Å | ||
| 655 | L | 86.1 | Confident | 78.5 | Confident | 74 Ų | 74 | 74 Ų | 74 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | trans | -79.1 | -52.2 | -175.9 | -61.3 | 168 | 0 | 0 | 0 | 111.3 | V684 I685 K687 | L655-V684 PolarHBondContact N-O 2.94Å; L655-I685 WeakPolarHBondContact CD1-O 3.45Å; L655-K687 HydrophobicContact CD1-CG 3.7Å | ||
| 656 | Y | 85.3 | Confident | 77.4 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 170 | 178.2 | 57.1 | -74.8 | 0 | 0 | 0 | 109.5 | V658 V684 | Y656-V658 HydrophobicContact CD2-CG1 3.55Å; Y656-V658 HydrophobicContact CE2-CG1 3.41Å; Y656-V658 VanDerWaalsContact CE2-CG1 3.41Å; Y656-V684 HydrophobicContact CD1-CB 4.04Å; Y656-V684 HydrophobicContact CD1-CG1 4.33Å; Y656-V684 HydrophobicContact CD1-CG2 4.39Å; Y656-V684 HydrophobicContact CD2-CG2 3.98Å; Y656-V684 HydrophobicContact CE1-CB 3.89Å; Y656-V684 HydrophobicContact CE1-CG1 3.71Å; Y656-V684 HydrophobicContact CE1-CG2 4.18Å; Y656-V684 HydrophobicContact CE2-CB 4.4Å; Y656-V684 HydrophobicContact CE2-CG2 3.79Å; Y656-V684 HydrophobicContact CG-CB 4.32Å; Y656-V684 HydrophobicContact CG-CG2 4.28Å; Y656-V684 PolarHBondContact O-N 2.92Å |
| 657 | Q | 87.9 | Confident | 76.2 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122 | -178.4 | 173.7 | 160.7 | 97.7 | 0 | 0 | 110 | K681 L682 D683 | Q657-K681 HydrophobicContact CG-CB 4.27Å; Q657-L682 WeakPolarHBondContact CA-O 3.38Å; Q657-D683 PolarHBondContact NE2-OD1 3.18Å |
| 658 | V | 88.1 | Confident | 74.9 | Confident | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.012 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.2 | -177.4 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | Y656 K681 L682 V684 M693 V710 V711 D712 | Y656-V658 HydrophobicContact CD2-CG1 3.55Å; Y656-V658 HydrophobicContact CE2-CG1 3.41Å; Y656-V658 VanDerWaalsContact CE2-CG1 3.41Å; V658-K681 WeakPolarHBondContact O-CA 3.32Å; V658-L682 HydrophobicContact CG2-CB 3.96Å; V658-L682 PolarHBondContact N-O 3.08Å; V658-L682 PolarHBondContact O-N 2.91Å; V658-V684 HydrophobicContact CB-CG2 4.4Å; V658-V684 HydrophobicContact CG1-CG2 3.75Å; V658-V684 HydrophobicContact CG2-CG2 3.81Å; V658-M693 HydrophobicContact CG2-CE 4.09Å; V658-V710 HydrophobicContact CB-CB 4.08Å; V658-V710 HydrophobicContact CB-CG1 4.39Å; V658-V710 HydrophobicContact CB-CG2 4.47Å; V658-V710 HydrophobicContact CG2-CB 4.18Å; V658-V710 HydrophobicContact CG2-CG1 3.97Å; V658-V711 CarbonylContact C-O 3.53Å; V658-V711 WeakPolarHBondContact CA-O 3.41Å; V658-D712 HydrophobicContact CG1-CB 4.46Å |
| 659 | T | 86.4 | Confident | 74.2 | Confident | 28 Ų | 28 | 83.1 Ų | 83.1 | 17% | 0.172 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.6 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | I661 K681 V710 V711 D713 | T659-I661 PolarHBondContact O-N 3.07Å; T659-K681 PolarHBondContact OG1-NZ 3.34Å; T659-V710 WeakPolarHBondContact O-CA 3.49Å; T659-V711 PolarHBondContact N-O 3.04Å; T659-V711 PolarHBondContact O-N 3.2Å; T659-D713 PolarHBondContact OG1-OD1 3.06Å |
| 660 | I | 84.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 115.6 | 177 | -64.3 | 152.1 | 0 | 0 | 0 | 109.9 | S662 L676 K677 G679 E680 L682 V710 | I660-S662 VanDerWaalsContact CG2-O 3.31Å; I660-S662 WeakPolarHBondContact CG2-O 3.31Å; I660-L676 HydrophobicContact CD1-CB 3.76Å; I660-L676 HydrophobicContact CD1-CD2 3.88Å; I660-L676 HydrophobicContact CD1-CG 4.3Å; I660-L676 HydrophobicContact CG1-CB 4.49Å; I660-L676 HydrophobicContact CG1-CD2 4.48Å; I660-L676 HydrophobicContact CG2-CB 4.44Å; I660-K677 WeakPolarHBondContact CB-O 3.24Å; I660-K677 WeakPolarHBondContact CD1-O 3.44Å; I660-G679 PolarHBondContact O-N 2.83Å; I660-E680 HydrophobicContact CD1-CB 3.93Å; I660-E680 HydrophobicContact CD1-CG 4.5Å; I660-E680 WeakPolarHBondContact CD1-O 3.39Å; I660-E680 PolarHBondContact N-O 2.73Å; I660-E680 VanDerWaalsContact N-O 3.17Å; I660-L682 HydrophobicContact CD1-CD1 3.63Å; I660-L682 HydrophobicContact CD1-CD2 4.32Å; I660-L682 HydrophobicContact CD1-CG 3.8Å; I660-L682 HydrophobicContact CG1-CD1 3.93Å; I660-L682 HydrophobicContact CG1-CG 4.25Å; I660-V710 HydrophobicContact CG1-CG1 4.22Å |
| 661 | I | 70.4 | Confident | 73.1 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | trans | -68.5 | -48.9 | -174.3 | -41.6 | 166.9 | 0 | 0 | 0 | 111 | T659 H709 V711 | T659-I661 PolarHBondContact O-N 3.07Å; I661-H709 PolarHBondContact N-O 3.03Å; I661-H709 VanDerWaalsContact N-O 3.17Å; I661-V711 HydrophobicContact CD1-CB 4.37Å; I661-V711 HydrophobicContact CD1-CG2 3.73Å; I661-V711 HydrophobicContact CG1-CB 3.95Å; I661-V711 HydrophobicContact CG1-CG2 3.76Å | ||
| 662 | S | 66.4 | Low | 73 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -117.5 | 146 | -167.2 | -80.7 | 0 | 0 | 0 | 0 | 112.6 | I660 L664 | I660-S662 VanDerWaalsContact CG2-O 3.31Å; I660-S662 WeakPolarHBondContact CG2-O 3.31Å; S662-L664 VanDerWaalsContact C-N 3.3Å; S662-L664 PolarHBondContact O-N 2.9Å |
| 663 | P | 59 | Low | 72.9 | Confident | 95 Ų | 95 | 80.2 Ų | 80.2 | 62% | 0.617 | 42% | 0.42 | S | S | * | . | trans | -72 | 85.2 | 174.6 | 29.1 | -33.1 | 0 | 0 | 0 | 110.1 | N665 A678 | P663-N665 PolarHBondContact O-N 2.63Å; P663-A678 HydrophobicContact CB-CB 3.86Å; P663-A678 HydrophobicContact CG-CB 4.39Å | ||
| 664 | L | 59 | Low | 73 | Confident | 31 Ų | 31 | 74.9 Ų | 74.9 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | trans | -65.9 | 97.4 | 178.2 | -119.3 | 65.7 | 0 | 0 | 0 | 110.7 | S662 N666 W669 L676 H709 | S662-L664 VanDerWaalsContact C-N 3.3Å; S662-L664 PolarHBondContact O-N 2.9Å; L664-N666 PolarHBondContact O-N 2.63Å; L664-W669 WeakPolarHBondContact O-CZ2 3.13Å; L664-L676 HydrophobicContact CB-CD1 4.39Å; L664-L676 HydrophobicContact CD2-CD1 4.21Å; L664-H709 HydrophobicContact CD1-CB 4.19Å; L664-H709 WeakPolarHBondContact CD1-CD2 3.49Å; L664-H709 HydrophobicContact CD2-CB 4.06Å | ||
| 665 | N | 54.4 | Low | 72.6 | Confident | 149 Ų | 149 | 73.9 Ų | 73.9 | 80% | 0.797 | 39% | 0.391 | S | S | * | . | trans | -76.3 | 37.6 | -179.2 | 67.6 | 5.5 | 0 | 0 | 0 | 112.6 | P663 K667 | P663-N665 PolarHBondContact O-N 2.63Å; N665-K667 PolarHBondContact O-N 3.39Å | ||
| 666 | N | 57.1 | Low | 72.3 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | trans | -53.9 | 95.5 | -177.8 | -87 | -11.3 | 0 | 0 | 0 | 110.6 | L664 K668 W669 | L664-N666 PolarHBondContact O-N 2.63Å; N666-K668 PolarHBondContact O-N 2.94Å; N666-W669 HydrophobicContact CB-CD2 4.04Å; N666-W669 HydrophobicContact CB-CE3 4.08Å; N666-W669 HydrophobicContact CB-CH2 3.78Å; N666-W669 HydrophobicContact CB-CZ2 3.77Å; N666-W669 HydrophobicContact CB-CZ3 3.95Å; N666-W669 PolarHBondContact O-NE1 2.87Å | ||
| 667 | K | 55.4 | Low | 71.9 | Confident | 209 Ų | 209 | 73.5 Ų | 73.5 | 91% | 0.909 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -68.8 | -5.9 | -175 | -163.2 | 169.9 | -179.7 | 177.1 | 0 | 113.1 | N665 | N665-K667 PolarHBondContact O-N 3.39Š|
| 668 | K | 56.6 | Low | 71.5 | Confident | 193 Ų | 193 | 73.3 Ų | 73.3 | 84% | 0.839 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -139.6 | 96.5 | 170.3 | -67.8 | -177.2 | 178.1 | -179.1 | 0 | 108.7 | N666 | N666-K668 PolarHBondContact O-N 2.94Š|
| 669 | W | 69.2 | Low | 71.1 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | trans | -75 | 127.9 | 162.6 | -57.7 | 99.5 | 0 | 0 | 0 | 108.3 | L664 N666 D673 L674 P675 L676 | L664-W669 WeakPolarHBondContact O-CZ2 3.13Å; N666-W669 HydrophobicContact CB-CD2 4.04Å; N666-W669 HydrophobicContact CB-CE3 4.08Å; N666-W669 HydrophobicContact CB-CH2 3.78Å; N666-W669 HydrophobicContact CB-CZ2 3.77Å; N666-W669 HydrophobicContact CB-CZ3 3.95Å; N666-W669 PolarHBondContact O-NE1 2.87Å; W669-D673 HydrophobicContact CE3-CB 4.16Å; W669-L674 WeakPolarHBondContact CZ3-O 3.41Å; W669-P675 HydrophobicContact CD2-CB 4.36Å; W669-L676 HydrophobicContact CH2-CB 3.76Å; W669-L676 HydrophobicContact CH2-CD1 4.26Å; W669-L676 HydrophobicContact CH2-CG 3.73Å; W669-L676 VanDerWaalsContact CH2-N 3.26Å; W669-L676 HydrophobicContact CZ3-CB 4.33Å; W669-L676 HydrophobicContact CZ3-CD1 4.27Å; W669-L676 HydrophobicContact CZ3-CG 3.79Å | ||
| 670 | S | 64.7 | Low | 71.1 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | trans | -68.6 | 159 | 170.2 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | K672 D673 | S670-K672 PolarHBondContact O-N 2.84Å; S670-D673 WeakPolarHBondContact CA-OD2 3.47Å; S670-D673 WeakPolarHBondContact CB-OD1 3.41Å; S670-D673 WeakPolarHBondContact CB-OD2 3.3Å; S670-D673 PolarHBondContact N-OD2 2.85Å; S670-D673 PolarHBondContact O-N 2.92Å | ||
| 671 | G | 68.7 | Low | 71.3 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 62% | 0.619 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -2.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K645 | K645-G671 WeakPolarHBondContact CE-O 3.49Å; K645-G671 PolarHBondContact NZ-O 3.07Å; K645-G671 VanDerWaalsContact NZ-O 3.07Å |
| 672 | K | 78 | Confident | 72.2 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -0.6 | 174.6 | -57 | -168.2 | -176.7 | -165.7 | 0 | 113.9 | F646 S670 G703 Y704 | F646-K672 HydrophobicContact CZ-CB 4.12Å; S670-K672 PolarHBondContact O-N 2.84Å; K672-G703 CarbonylContact O-C 3.54Å; K672-G703 VanDerWaalsContact O-CA 3.24Å; K672-G703 WeakPolarHBondContact O-CA 3.42Å; K672-Y704 HydrophobicContact CB-CD2 3.88Å; K672-Y704 HydrophobicContact CB-CE2 4.11Å; K672-Y704 HydrophobicContact CD-CE2 4.18Å; K672-Y704 PolarHBondContact O-N 3.47Å |
| 673 | D | 83.8 | Confident | 73.4 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -90.9 | 147 | -177.2 | -55.9 | -15.5 | 0 | 0 | 0 | 110.2 | W669 S670 | W669-D673 HydrophobicContact CE3-CB 4.16Å; S670-D673 WeakPolarHBondContact CA-OD2 3.47Å; S670-D673 WeakPolarHBondContact CB-OD1 3.41Å; S670-D673 WeakPolarHBondContact CB-OD2 3.3Å; S670-D673 PolarHBondContact N-OD2 2.85Å; S670-D673 PolarHBondContact O-N 2.92Å |
| 674 | L | 84.2 | Confident | 74.9 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | trans | -84.7 | 126.6 | 175.4 | -168.2 | 68.8 | 0 | 0 | 0 | 109.3 | W669 L676 L682 C695 N697 K701 Y704 V705 | W669-L674 WeakPolarHBondContact CZ3-O 3.41Å; L674-L676 HydrophobicContact CB-CD2 4.22Å; L674-L676 HydrophobicContact CD2-CD2 4.43Å; L674-L676 HydrophobicContact CG-CD2 4.47Å; L674-L676 VanDerWaalsContact O-CD2 3.29Å; L674-L676 WeakPolarHBondContact O-CD2 3.42Å; L674-L676 WeakPolarHBondContact O-CG 3.32Å; L674-L676 PolarHBondContact O-N 2.61Å; L674-L676 VanDerWaalsContact O-N 3.12Å; L674-L682 HydrophobicContact CD2-CD1 3.85Å; L674-L682 HydrophobicContact CD2-CD2 3.7Å; L674-L682 HydrophobicContact CD2-CG 4.41Å; L674-C695 HydrophobicContact CD2-CB 4.09Å; L674-N697 HydrophobicContact CD2-CB 4.24Å; L674-K701 HydrophobicContact CD1-CB 3.78Å; L674-K701 WeakPolarHBondContact CD1-O 2.94Å; L674-Y704 PolarHBondContact N-O 3.01Å; L674-Y704 VanDerWaalsContact N-O 3.08Å; L674-V705 HydrophobicContact CB-CG2 3.96Å; L674-V705 HydrophobicContact CD2-CG2 4.01Å | ||
| 675 | P | 79.3 | Confident | 76.3 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | trans | -70.3 | 109.1 | 176.7 | 27.7 | -33.5 | 0 | 0 | 0 | 110.7 | W669 | W669-P675 HydrophobicContact CD2-CB 4.36Š| ||
| 676 | L | 79.6 | Confident | 77.9 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | trans | -86.7 | 150.8 | -174 | -46.4 | 177.4 | 0 | 0 | 0 | 112.2 | I660 L664 W669 L674 L682 V705 | I660-L676 HydrophobicContact CD1-CB 3.76Å; I660-L676 HydrophobicContact CD1-CD2 3.88Å; I660-L676 HydrophobicContact CD1-CG 4.3Å; I660-L676 HydrophobicContact CG1-CB 4.49Å; I660-L676 HydrophobicContact CG1-CD2 4.48Å; I660-L676 HydrophobicContact CG2-CB 4.44Å; L664-L676 HydrophobicContact CB-CD1 4.39Å; L664-L676 HydrophobicContact CD2-CD1 4.21Å; W669-L676 HydrophobicContact CH2-CB 3.76Å; W669-L676 HydrophobicContact CH2-CD1 4.26Å; W669-L676 HydrophobicContact CH2-CG 3.73Å; W669-L676 VanDerWaalsContact CH2-N 3.26Å; W669-L676 HydrophobicContact CZ3-CB 4.33Å; W669-L676 HydrophobicContact CZ3-CD1 4.27Å; W669-L676 HydrophobicContact CZ3-CG 3.79Å; L674-L676 HydrophobicContact CB-CD2 4.22Å; L674-L676 HydrophobicContact CD2-CD2 4.43Å; L674-L676 HydrophobicContact CG-CD2 4.47Å; L674-L676 VanDerWaalsContact O-CD2 3.29Å; L674-L676 WeakPolarHBondContact O-CD2 3.42Å; L674-L676 WeakPolarHBondContact O-CG 3.32Å; L674-L676 PolarHBondContact O-N 2.61Å; L674-L676 VanDerWaalsContact O-N 3.12Å; L676-L682 HydrophobicContact CD2-CD1 3.88Å; L676-V705 HydrophobicContact CD1-CG1 4.07Å; L676-V705 HydrophobicContact CD2-CB 4.46Å; L676-V705 HydrophobicContact CD2-CG1 3.95Å; L676-V705 HydrophobicContact CD2-CG2 3.79Å | ||
| 677 | K | 77.1 | Confident | 79.2 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | trans | -128.6 | 147 | 165.3 | -51.8 | 177.8 | -148.9 | 80.4 | 0 | 109.2 | I660 G679 E680 | I660-K677 WeakPolarHBondContact CB-O 3.24Å; I660-K677 WeakPolarHBondContact CD1-O 3.44Å; K677-G679 PolarHBondContact O-N 3.09Å; K677-E680 HydrophobicContact CB-CB 4.13Å; K677-E680 WeakPolarHBondContact CB-OE2 3.34Å; K677-E680 WeakPolarHBondContact CD-OE2 3.49Å; K677-E680 WeakPolarHBondContact CG-OE2 3.21Å; K677-E680 PolarHBondContact N-OE2 2.92Å; K677-E680 IonicContact NZ-OE1 2.71Å; K677-E680 PolarHBondContact NZ-OE1 3.05Å; K677-E680 VanDerWaalsContact NZ-OE1 3.16Å; K677-E680 IonicContact NZ-OE2 3.97Å; K677-E680 PolarHBondContact NZ-OE2 3.39Å; K677-E680 WeakPolarHBondContact O-CB 3.46Å; K677-E680 PolarHBondContact O-N 2.67Å; K677-E680 VanDerWaalsContact O-N 3.13Å | ||
| 678 | A | 80.6 | Confident | 80.6 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 136.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P663 E680 | P663-A678 HydrophobicContact CB-CB 3.86Å; P663-A678 HydrophobicContact CG-CB 4.39Å; A678-E680 PolarHBondContact O-N 3.36Å |
| 679 | G | 79.7 | Confident | 81.5 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 4.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I660 K677 | I660-G679 PolarHBondContact O-N 2.83Å; K677-G679 PolarHBondContact O-N 3.09Å |
| 680 | E | 86.3 | Confident | 81.8 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -73.4 | 128.6 | 169.9 | -178.2 | 167.1 | -174.8 | 0 | 0 | 109.2 | I660 K677 A678 L682 N697 | I660-E680 HydrophobicContact CD1-CB 3.93Å; I660-E680 HydrophobicContact CD1-CG 4.5Å; I660-E680 WeakPolarHBondContact CD1-O 3.39Å; I660-E680 PolarHBondContact N-O 2.73Å; I660-E680 VanDerWaalsContact N-O 3.17Å; K677-E680 HydrophobicContact CB-CB 4.13Å; K677-E680 WeakPolarHBondContact CB-OE2 3.34Å; K677-E680 WeakPolarHBondContact CD-OE2 3.49Å; K677-E680 WeakPolarHBondContact CG-OE2 3.21Å; K677-E680 PolarHBondContact N-OE2 2.92Å; K677-E680 IonicContact NZ-OE1 2.71Å; K677-E680 PolarHBondContact NZ-OE1 3.05Å; K677-E680 VanDerWaalsContact NZ-OE1 3.16Å; K677-E680 IonicContact NZ-OE2 3.97Å; K677-E680 PolarHBondContact NZ-OE2 3.39Å; K677-E680 WeakPolarHBondContact O-CB 3.46Å; K677-E680 PolarHBondContact O-N 2.67Å; K677-E680 VanDerWaalsContact O-N 3.13Å; A678-E680 PolarHBondContact O-N 3.36Å; E680-L682 HydrophobicContact CG-CD2 4.16Å; E680-N697 WeakPolarHBondContact OE1-CB 3.34Å; E680-N697 PolarHBondContact OE1-ND2 3.38Å | ||
| 681 | K | 88.4 | Confident | 82.6 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 39% | 0.391 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.9 | 175.2 | -71.3 | -171.6 | 173 | -65.9 | 0 | 109.7 | Q657 V658 T659 D713 | Q657-K681 HydrophobicContact CG-CB 4.27Å; V658-K681 WeakPolarHBondContact O-CA 3.32Å; T659-K681 PolarHBondContact OG1-NZ 3.34Å; K681-D713 IonicContact NZ-OD1 2.68Å; K681-D713 PolarHBondContact NZ-OD1 3.11Å; K681-D713 IonicContact NZ-OD2 3.16Å; K681-D713 PolarHBondContact NZ-OD2 3.31Å |
| 682 | L | 89.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.7 | -176.6 | -63.1 | -173.4 | 0 | 0 | 0 | 111.1 | Q657 V658 I660 L674 L676 E680 C695 R696 N697 V705 | Q657-L682 WeakPolarHBondContact CA-O 3.38Å; V658-L682 HydrophobicContact CG2-CB 3.96Å; V658-L682 PolarHBondContact N-O 3.08Å; V658-L682 PolarHBondContact O-N 2.91Å; I660-L682 HydrophobicContact CD1-CD1 3.63Å; I660-L682 HydrophobicContact CD1-CD2 4.32Å; I660-L682 HydrophobicContact CD1-CG 3.8Å; I660-L682 HydrophobicContact CG1-CD1 3.93Å; I660-L682 HydrophobicContact CG1-CG 4.25Å; L674-L682 HydrophobicContact CD2-CD1 3.85Å; L674-L682 HydrophobicContact CD2-CD2 3.7Å; L674-L682 HydrophobicContact CD2-CG 4.41Å; L676-L682 HydrophobicContact CD2-CD1 3.88Å; E680-L682 HydrophobicContact CG-CD2 4.16Å; L682-C695 HydrophobicContact CB-CB 3.97Å; L682-C695 HydrophobicContact CD1-CB 3.9Å; L682-R696 WeakPolarHBondContact CA-O 3.36Å; L682-N697 HydrophobicContact CD2-CB 3.48Å; L682-N697 VanDerWaalsContact CD2-CB 3.48Å; L682-V705 HydrophobicContact CD1-CG1 4.27Å; L682-V705 HydrophobicContact CD1-CG2 3.91Å |
| 683 | D | 91.1 | Very high | 83.8 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.6 | 174.9 | -68.4 | -18.1 | 0 | 0 | 0 | 108.6 | V654 Q657 C695 R696 | V654-D683 HydrophobicContact CB-CB 4.38Å; V654-D683 HydrophobicContact CG1-CB 3.64Å; V654-D683 HydrophobicContact CG2-CB 3.82Å; Q657-D683 PolarHBondContact NE2-OD1 3.18Å; D683-C695 CarbonylContact O-C 3.52Å; D683-C695 WeakPolarHBondContact O-CA 3.4Å; D683-R696 HydrophobicContact CB-CB 4.28Å; D683-R696 PolarHBondContact N-O 3.14Å; D683-R696 PolarHBondContact O-N 3.05Å |
| 684 | V | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.1 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | L655 Y656 V658 M693 | L655-V684 PolarHBondContact N-O 2.94Å; Y656-V684 HydrophobicContact CD1-CB 4.04Å; Y656-V684 HydrophobicContact CD1-CG1 4.33Å; Y656-V684 HydrophobicContact CD1-CG2 4.39Å; Y656-V684 HydrophobicContact CD2-CG2 3.98Å; Y656-V684 HydrophobicContact CE1-CB 3.89Å; Y656-V684 HydrophobicContact CE1-CG1 3.71Å; Y656-V684 HydrophobicContact CE1-CG2 4.18Å; Y656-V684 HydrophobicContact CE2-CB 4.4Å; Y656-V684 HydrophobicContact CE2-CG2 3.79Å; Y656-V684 HydrophobicContact CG-CB 4.32Å; Y656-V684 HydrophobicContact CG-CG2 4.28Å; Y656-V684 PolarHBondContact O-N 2.92Å; V658-V684 HydrophobicContact CB-CG2 4.4Å; V658-V684 HydrophobicContact CG1-CG2 3.75Å; V658-V684 HydrophobicContact CG2-CG2 3.81Å; V684-M693 HydrophobicContact CG1-CB 4.28Å; V684-M693 HydrophobicContact CG1-SD 4.1Å; V684-M693 HydrophobicContact CG2-SD 3.91Å |
| 685 | I | 89.6 | Confident | 84.3 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -38.2 | -173.6 | -53.4 | -56.4 | 0 | 0 | 0 | 111.4 | F642 I652 Q653 V654 L655 V694 R696 F702 | F642-I685 HydrophobicContact CE1-CG2 4.46Å; I652-I685 HydrophobicContact CG2-CD1 3.92Å; I652-I685 HydrophobicContact CG2-CG1 4.39Å; I652-I685 HydrophobicContact CG2-CG2 3.83Å; Q653-I685 WeakPolarHBondContact O-CD1 3.39Å; V654-I685 HydrophobicContact CG2-CD1 3.97Å; L655-I685 WeakPolarHBondContact CD1-O 3.45Å; I685-V694 HydrophobicContact CB-CG1 4.48Å; I685-V694 PolarHBondContact N-O 3.28Å; I685-R696 HydrophobicContact CD1-CB 3.98Å; I685-R696 HydrophobicContact CG1-CB 3.81Å; I685-F702 HydrophobicContact CD1-CE1 4.4Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 3.96Å |
| 686 | V | 88.2 | Confident | 84.9 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.6 | 174.3 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | F642 Y648 M693 V694 | F642-V686 HydrophobicContact CZ-CG2 4.36Å; Y648-V686 HydrophobicContact CD2-CG2 3.99Å; Y648-V686 HydrophobicContact CE2-CG2 3.67Å; V686-M693 WeakPolarHBondContact O-CB 3.45Å; V686-V694 HydrophobicContact CB-CB 3.82Å; V686-V694 HydrophobicContact CB-CG2 3.95Å; V686-V694 HydrophobicContact CG2-CB 3.84Å; V686-V694 HydrophobicContact CG2-CG2 3.95Å; V686-V694 PolarHBondContact N-O 2.83Å; V686-V694 PolarHBondContact O-N 3.18Å |
| 687 | K | 83.9 | Confident | 85.3 | Confident | 151 Ų | 151 | 53 Ų | 53 | 66% | 0.657 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 154.3 | 176.1 | -64.7 | -171.7 | 177.7 | -175.8 | 0 | 110.8 | L655 Q689 | L655-K687 HydrophobicContact CD1-CG 3.7Å; K687-Q689 PolarHBondContact O-N 2.88Å |
| 688 | A | 85.1 | Confident | 85.7 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 128.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M693 T707 | A688-M693 HydrophobicContact CB-CB 4.12Å; A688-T707 HydrophobicContact CB-CG2 3.5Å |
| 689 | Q | 74.6 | Confident | 85.6 | Confident | 141 Ų | 141 | 55.4 Ų | 55.4 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.6 | 168.6 | -157.9 | -161.7 | -68.7 | 0 | 0 | 107 | K687 D691 K692 | K687-Q689 PolarHBondContact O-N 2.88Å; Q689-D691 PolarHBondContact O-N 2.79Å; Q689-K692 PolarHBondContact N-O 2.99Å; Q689-K692 CarbonylContact O-C 3.59Å; Q689-K692 WeakPolarHBondContact O-CA 3.48Å; Q689-K692 PolarHBondContact O-N 2.91Å |
| 690 | D | 76.5 | Confident | 85.7 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 69% | 0.69 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 50.2 | 176.4 | -45.2 | -51.6 | 0 | 0 | 0 | 113.8 | K692 | D690-K692 PolarHBondContact O-N 3.24Å; D690-K692 VanDerWaalsContact O-N 3.14Å |
| 691 | D | 81.1 | Confident | 85.7 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 8.5 | -168.5 | -179.7 | 65.5 | 0 | 0 | 0 | 114.9 | Q689 S706 T707 S708 | Q689-D691 PolarHBondContact O-N 2.79Å; D691-S706 CarbonylContact O-C 3.54Å; D691-S706 WeakPolarHBondContact O-CA 3.44Å; D691-S706 WeakPolarHBondContact OD2-CB 3.35Å; D691-S706 PolarHBondContact OD2-OG 3Å; D691-T707 WeakPolarHBondContact CA-OG1 3.24Å; D691-T707 PolarHBondContact O-N 2.89Å; D691-T707 PolarHBondContact O-OG1 2.87Å; D691-T707 VanDerWaalsContact O-OG1 3.05Å; D691-T707 PolarHBondContact OD1-N 2.91Å; D691-T707 PolarHBondContact OD1-OG1 3.28Å; D691-S708 PolarHBondContact OD1-N 3.17Å; D691-S708 VanDerWaalsContact OD1-N 3.09Å; D691-S708 PolarHBondContact OD1-OG 3.17Å |
| 692 | K | 84.3 | Confident | 85.7 | Confident | 118 Ų | 118 | 52.3 Ų | 52.3 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.3 | -175.5 | -68.8 | 164.1 | -170.2 | 158.6 | 0 | 112 | Q689 D690 Y704 V705 | Q689-K692 PolarHBondContact N-O 2.99Å; Q689-K692 CarbonylContact O-C 3.59Å; Q689-K692 WeakPolarHBondContact O-CA 3.48Å; Q689-K692 PolarHBondContact O-N 2.91Å; D690-K692 PolarHBondContact O-N 3.24Å; D690-K692 VanDerWaalsContact O-N 3.14Å; K692-Y704 HydrophobicContact CB-CD1 4.1Å; K692-V705 WeakPolarHBondContact CA-O 3.45Å |
| 693 | M | 87.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 158.5 | 168.4 | 51.2 | 177.9 | -178.9 | 0 | 0 | 110.1 | V658 V684 V686 A688 Y704 V705 T707 V710 | V658-M693 HydrophobicContact CG2-CE 4.09Å; V684-M693 HydrophobicContact CG1-CB 4.28Å; V684-M693 HydrophobicContact CG1-SD 4.1Å; V684-M693 HydrophobicContact CG2-SD 3.91Å; V686-M693 WeakPolarHBondContact O-CB 3.45Å; A688-M693 HydrophobicContact CB-CB 4.12Å; M693-Y704 WeakPolarHBondContact O-CA 3.31Å; M693-V705 HydrophobicContact CE-CB 3.97Å; M693-V705 HydrophobicContact CE-CG1 3.74Å; M693-V705 HydrophobicContact CG-CB 4.29Å; M693-V705 WeakPolarHBondContact CG-O 3.48Å; M693-V705 PolarHBondContact N-O 3.37Å; M693-V705 PolarHBondContact O-N 3.24Å; M693-T707 HydrophobicContact CG-CG2 4.42Å; M693-T707 HydrophobicContact SD-CG2 4.2Å; M693-V710 HydrophobicContact CE-CB 4.11Å; M693-V710 HydrophobicContact CE-CG1 3.71Å; M693-V710 HydrophobicContact CE-CG2 3.38Å |
| 694 | V | 88.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.7 | 166.7 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | F642 F646 I685 V686 Y704 | F642-V694 HydrophobicContact CD2-CG1 4.21Å; F642-V694 HydrophobicContact CE2-CB 4.41Å; F642-V694 HydrophobicContact CE2-CG1 3.44Å; F642-V694 VanDerWaalsContact CE2-CG1 3.44Å; F642-V694 HydrophobicContact CE2-CG2 4.3Å; F642-V694 HydrophobicContact CZ-CG1 3.91Å; F646-V694 HydrophobicContact CD1-CG2 3.95Å; F646-V694 HydrophobicContact CE1-CG2 3.93Å; I685-V694 HydrophobicContact CB-CG1 4.48Å; I685-V694 PolarHBondContact N-O 3.28Å; V686-V694 HydrophobicContact CB-CB 3.82Å; V686-V694 HydrophobicContact CB-CG2 3.95Å; V686-V694 HydrophobicContact CG2-CB 3.84Å; V686-V694 HydrophobicContact CG2-CG2 3.95Å; V686-V694 PolarHBondContact N-O 2.83Å; V686-V694 PolarHBondContact O-N 3.18Å; V694-Y704 HydrophobicContact CG2-CD1 4.06Å; V694-Y704 HydrophobicContact CG2-CE1 3.83Å |
| 695 | C | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 161.8 | 174 | -54.7 | 0 | 0 | 0 | 0 | 112 | L674 L682 D683 F702 G703 V705 | L674-C695 HydrophobicContact CD2-CB 4.09Å; L682-C695 HydrophobicContact CB-CB 3.97Å; L682-C695 HydrophobicContact CD1-CB 3.9Å; D683-C695 CarbonylContact O-C 3.52Å; D683-C695 WeakPolarHBondContact O-CA 3.4Å; C695-F702 WeakPolarHBondContact O-CA 3.36Å; C695-G703 PolarHBondContact N-O 3.39Å; C695-G703 PolarHBondContact O-N 3.13Å; C695-G703 VanDerWaalsContact O-N 3.07Å; C695-V705 HydrophobicContact CB-CB 4.45Å; C695-V705 HydrophobicContact CB-CG2 3.65Å |
| 696 | R | 90.8 | Very high | 85.1 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.2 | 174.3 | 173.8 | -174.2 | 176.4 | 156.7 | -2.1 | 109.2 | F635 L682 D683 I685 K701 F702 | F635-R696 VanDerWaalsContact CG-NH2 3.31Å; L682-R696 WeakPolarHBondContact CA-O 3.36Å; D683-R696 HydrophobicContact CB-CB 4.28Å; D683-R696 PolarHBondContact N-O 3.14Å; D683-R696 PolarHBondContact O-N 3.05Å; I685-R696 HydrophobicContact CD1-CB 3.98Å; I685-R696 HydrophobicContact CG1-CB 3.81Å; R696-K701 VanDerWaalsContact CA-O 3.26Å; R696-K701 WeakPolarHBondContact CA-O 3.45Å; R696-F702 HydrophobicContact CB-CD1 3.93Å; R696-F702 HydrophobicContact CB-CE1 3.89Å; R696-F702 HydrophobicContact CG-CD1 4.35Å; R696-F702 HydrophobicContact CG-CE1 4Å; R696-F702 HydrophobicContact CG-CZ 4.15Å |
| 697 | N | 89.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | trans | -95.2 | 175.4 | 175.5 | 80.7 | -24 | 0 | 0 | 0 | 113.2 | L674 E680 L682 E699 G700 K701 | L674-N697 HydrophobicContact CD2-CB 4.24Å; E680-N697 WeakPolarHBondContact OE1-CB 3.34Å; E680-N697 PolarHBondContact OE1-ND2 3.38Å; L682-N697 HydrophobicContact CD2-CB 3.48Å; L682-N697 VanDerWaalsContact CD2-CB 3.48Å; N697-E699 PolarHBondContact ND2-OE2 2.63Å; N697-E699 PolarHBondContact O-N 3.12Å; N697-E699 WeakPolarHBondContact OD1-CB 3.36Å; N697-E699 PolarHBondContact OD1-N 3.46Å; N697-G700 WeakPolarHBondContact O-CA 3.29Å; N697-G700 PolarHBondContact O-N 2.96Å; N697-G700 PolarHBondContact OD1-N 3.16Å; N697-K701 PolarHBondContact N-O 2.68Å; N697-K701 VanDerWaalsContact N-O 3.14Å; N697-K701 PolarHBondContact OD1-N 2.8Å | ||
| 698 | E | 84.7 | Confident | 84.5 | Confident | 129 Ų | 129 | 52.4 Ų | 52.4 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.8 | 178 | 60.9 | 144.1 | -163.1 | 0 | 0 | 114.7 | G700 | E698-G700 VanDerWaalsContact C-N 3.28Š|
| 699 | E | 79 | Confident | 84 | Confident | 80 Ų | 80 | 53 Ų | 53 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.6 | 169.1 | -54.5 | -174.3 | 122.8 | 0 | 0 | 112.6 | N697 K701 | N697-E699 PolarHBondContact ND2-OE2 2.63Å; N697-E699 PolarHBondContact O-N 3.12Å; N697-E699 WeakPolarHBondContact OD1-CB 3.36Å; N697-E699 PolarHBondContact OD1-N 3.46Å; E699-K701 IonicContact OE1-NZ 3.37Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.05Å; E699-K701 PolarHBondContact OE2-NZ 3.14Å |
| 700 | G | 81.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 85.2 | 11.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E638 N697 E698 F702 | E638-G700 WeakPolarHBondContact CB-O 3.15Å; N697-G700 WeakPolarHBondContact O-CA 3.29Å; N697-G700 PolarHBondContact O-N 2.96Å; N697-G700 PolarHBondContact OD1-N 3.16Å; E698-G700 VanDerWaalsContact C-N 3.28Å; G700-F702 WeakPolarHBondContact O-CD2 3.18Å; G700-F702 VanDerWaalsContact O-CE2 3.31Å; G700-F702 WeakPolarHBondContact O-CE2 3.34Å | ||
| 701 | K | 86.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | trans | -73.7 | 148.4 | 171.8 | -66.1 | 167 | -178.3 | 158.9 | 0 | 109.4 | L674 R696 N697 E699 | L674-K701 HydrophobicContact CD1-CB 3.78Å; L674-K701 WeakPolarHBondContact CD1-O 2.94Å; R696-K701 VanDerWaalsContact CA-O 3.26Å; R696-K701 WeakPolarHBondContact CA-O 3.45Å; N697-K701 PolarHBondContact N-O 2.68Å; N697-K701 VanDerWaalsContact N-O 3.14Å; N697-K701 PolarHBondContact OD1-N 2.8Å; E699-K701 IonicContact OE1-NZ 3.37Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.05Å; E699-K701 PolarHBondContact OE2-NZ 3.14Å | ||
| 702 | F | 88 | Confident | 83.7 | Confident | 21 Ų | 21 | 44 Ų | 44 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.6 | 175.1 | -59.9 | -99.5 | 0 | 0 | 0 | 110.5 | E638 E639 F642 I652 I685 C695 R696 G700 | E638-F702 HydrophobicContact CB-CD2 4.17Å; E638-F702 HydrophobicContact CB-CE2 4.16Å; E639-F702 HydrophobicContact CB-CE2 4.08Å; E639-F702 HydrophobicContact CB-CZ 4.28Å; F642-F702 HydrophobicContact CB-CB 3.84Å; F642-F702 HydrophobicContact CB-CD1 4.32Å; F642-F702 HydrophobicContact CB-CD2 3.72Å; F642-F702 HydrophobicContact CB-CE2 4.35Å; F642-F702 HydrophobicContact CB-CG 3.71Å; F642-F702 HydrophobicContact CD1-CD1 4.17Å; F642-F702 HydrophobicContact CD1-CE1 4.44Å; F642-F702 HydrophobicContact CD1-CG 4.39Å; F642-F702 HydrophobicContact CD2-CB 3.57Å; F642-F702 HydrophobicContact CD2-CD1 4.18Å; F642-F702 AromaticContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CE2-CB 4.43Å; F642-F702 HydrophobicContact CG-CB 3.82Å; F642-F702 AromaticContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD2 4.23Å; F642-F702 AromaticContact CG-CG 3.74Å; F642-F702 HydrophobicContact CG-CG 3.74Å; I652-F702 HydrophobicContact CD1-CE1 3.82Å; I652-F702 HydrophobicContact CD1-CZ 3.71Å; I652-F702 HydrophobicContact CG2-CE1 3.59Å; I652-F702 HydrophobicContact CG2-CZ 3.9Å; I685-F702 HydrophobicContact CD1-CE1 4.4Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 3.96Å; C695-F702 WeakPolarHBondContact O-CA 3.36Å; R696-F702 HydrophobicContact CB-CD1 3.93Å; R696-F702 HydrophobicContact CB-CE1 3.89Å; R696-F702 HydrophobicContact CG-CD1 4.35Å; R696-F702 HydrophobicContact CG-CE1 4Å; R696-F702 HydrophobicContact CG-CZ 4.15Å; G700-F702 WeakPolarHBondContact O-CD2 3.18Å; G700-F702 VanDerWaalsContact O-CE2 3.31Å; G700-F702 WeakPolarHBondContact O-CE2 3.34Å |
| 703 | G | 88.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 170.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | K672 C695 | K672-G703 CarbonylContact O-C 3.54Å; K672-G703 VanDerWaalsContact O-CA 3.24Å; K672-G703 WeakPolarHBondContact O-CA 3.42Å; C695-G703 PolarHBondContact N-O 3.39Å; C695-G703 PolarHBondContact O-N 3.13Å; C695-G703 VanDerWaalsContact O-N 3.07Å |
| 704 | Y | 88.1 | Confident | 81.2 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 142.3 | 173.2 | -71.5 | -63.3 | 0 | 0 | 0 | 111.9 | F646 K672 L674 K692 M693 V694 | F646-Y704 HydrophobicContact CD1-CE1 4.27Å; F646-Y704 AromaticContact CD1-CE2 4Å; F646-Y704 HydrophobicContact CD1-CE2 4Å; F646-Y704 AromaticContact CD1-CZ 3.72Å; F646-Y704 HydrophobicContact CE1-CD1 4.23Å; F646-Y704 AromaticContact CE1-CD2 3.73Å; F646-Y704 HydrophobicContact CE1-CD2 3.73Å; F646-Y704 AromaticContact CE1-CE1 3.9Å; F646-Y704 HydrophobicContact CE1-CE1 3.9Å; F646-Y704 AromaticContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CG 4.14Å; F646-Y704 AromaticContact CE1-CZ 3.45Å; F646-Y704 VanDerWaalsContact CE1-CZ 3.45Å; F646-Y704 HydrophobicContact CZ-CD2 4.25Å; F646-Y704 HydrophobicContact CZ-CE2 4.15Å; K672-Y704 HydrophobicContact CB-CD2 3.88Å; K672-Y704 HydrophobicContact CB-CE2 4.11Å; K672-Y704 HydrophobicContact CD-CE2 4.18Å; K672-Y704 PolarHBondContact O-N 3.47Å; L674-Y704 PolarHBondContact N-O 3.01Å; L674-Y704 VanDerWaalsContact N-O 3.08Å; K692-Y704 HydrophobicContact CB-CD1 4.1Å; M693-Y704 WeakPolarHBondContact O-CA 3.31Å; V694-Y704 HydrophobicContact CG2-CD1 4.06Å; V694-Y704 HydrophobicContact CG2-CE1 3.83Å |
| 705 | V | 86.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.7 | 175.3 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | L674 L676 L682 K692 M693 C695 V710 | L674-V705 HydrophobicContact CB-CG2 3.96Å; L674-V705 HydrophobicContact CD2-CG2 4.01Å; L676-V705 HydrophobicContact CD1-CG1 4.07Å; L676-V705 HydrophobicContact CD2-CB 4.46Å; L676-V705 HydrophobicContact CD2-CG1 3.95Å; L676-V705 HydrophobicContact CD2-CG2 3.79Å; L682-V705 HydrophobicContact CD1-CG1 4.27Å; L682-V705 HydrophobicContact CD1-CG2 3.91Å; K692-V705 WeakPolarHBondContact CA-O 3.45Å; M693-V705 HydrophobicContact CE-CB 3.97Å; M693-V705 HydrophobicContact CE-CG1 3.74Å; M693-V705 HydrophobicContact CG-CB 4.29Å; M693-V705 WeakPolarHBondContact CG-O 3.48Å; M693-V705 PolarHBondContact N-O 3.37Å; M693-V705 PolarHBondContact O-N 3.24Å; C695-V705 HydrophobicContact CB-CB 4.45Å; C695-V705 HydrophobicContact CB-CG2 3.65Å; V705-V710 HydrophobicContact CG1-CG1 4.06Å |
| 706 | S | 84.9 | Confident | 78 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.6 | 176.5 | 158.6 | 0 | 0 | 0 | 0 | 110.4 | D691 S708 H709 | D691-S706 CarbonylContact O-C 3.54Å; D691-S706 WeakPolarHBondContact O-CA 3.44Å; D691-S706 WeakPolarHBondContact OD2-CB 3.35Å; D691-S706 PolarHBondContact OD2-OG 3Å; S706-S708 PolarHBondContact O-N 3.24Å; S706-S708 PolarHBondContact OG-N 2.77Å; S706-H709 WeakPolarHBondContact CB-ND1 3.21Å; S706-H709 PolarHBondContact O-N 2.83Å; S706-H709 PolarHBondContact OG-ND1 3.03Å |
| 707 | T | 80.4 | Confident | 76.2 | Confident | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -60.9 | -32 | 177.5 | 21.3 | 0 | 0 | 0 | 0 | 112.7 | A688 D691 M693 H709 V710 | A688-T707 HydrophobicContact CB-CG2 3.5Å; D691-T707 WeakPolarHBondContact CA-OG1 3.24Å; D691-T707 PolarHBondContact O-N 2.89Å; D691-T707 PolarHBondContact O-OG1 2.87Å; D691-T707 VanDerWaalsContact O-OG1 3.05Å; D691-T707 PolarHBondContact OD1-N 2.91Å; D691-T707 PolarHBondContact OD1-OG1 3.28Å; M693-T707 HydrophobicContact CG-CG2 4.42Å; M693-T707 HydrophobicContact SD-CG2 4.2Å; T707-H709 PolarHBondContact O-N 3.43Å; T707-V710 WeakPolarHBondContact O-CG2 3.04Å; T707-V710 PolarHBondContact O-N 2.85Å |
| 708 | S | 78.6 | Confident | 74.5 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -61.2 | 0.1 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 115.8 | D691 S706 | D691-S708 PolarHBondContact OD1-N 3.17Å; D691-S708 VanDerWaalsContact OD1-N 3.09Å; D691-S708 PolarHBondContact OD1-OG 3.17Å; S706-S708 PolarHBondContact O-N 3.24Å; S706-S708 PolarHBondContact OG-N 2.77Å |
| 709 | H | 73.5 | Confident | 73.1 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -131.8 | 7.2 | -171.1 | -58 | 99.1 | 0 | 0 | 0 | 114.6 | I661 L664 S706 T707 | I661-H709 PolarHBondContact N-O 3.03Å; I661-H709 VanDerWaalsContact N-O 3.17Å; L664-H709 HydrophobicContact CD1-CB 4.19Å; L664-H709 WeakPolarHBondContact CD1-CD2 3.49Å; L664-H709 HydrophobicContact CD2-CB 4.06Å; S706-H709 WeakPolarHBondContact CB-ND1 3.21Å; S706-H709 PolarHBondContact O-N 2.83Å; S706-H709 PolarHBondContact OG-ND1 3.03Å; T707-H709 PolarHBondContact O-N 3.43Å |
| 710 | V | 81.1 | Confident | 71.7 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.1 | 179.4 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | V658 T659 I660 M693 V705 T707 | V658-V710 HydrophobicContact CB-CB 4.08Å; V658-V710 HydrophobicContact CB-CG1 4.39Å; V658-V710 HydrophobicContact CB-CG2 4.47Å; V658-V710 HydrophobicContact CG2-CB 4.18Å; V658-V710 HydrophobicContact CG2-CG1 3.97Å; T659-V710 WeakPolarHBondContact O-CA 3.49Å; I660-V710 HydrophobicContact CG1-CG1 4.22Å; M693-V710 HydrophobicContact CE-CB 4.11Å; M693-V710 HydrophobicContact CE-CG1 3.71Å; M693-V710 HydrophobicContact CE-CG2 3.38Å; V705-V710 HydrophobicContact CG1-CG1 4.06Å; T707-V710 WeakPolarHBondContact O-CG2 3.04Å; T707-V710 PolarHBondContact O-N 2.85Å |
| 711 | V | 75.1 | Confident | 70.5 | Confident | 61 Ų | 61 | 81.8 Ų | 81.8 | 37% | 0.37 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.8 | 163.1 | 144.2 | 0 | 0 | 0 | 0 | 107.2 | V658 T659 I661 | V658-V711 CarbonylContact C-O 3.53Å; V658-V711 WeakPolarHBondContact CA-O 3.41Å; T659-V711 PolarHBondContact N-O 3.04Å; T659-V711 PolarHBondContact O-N 3.2Å; I661-V711 HydrophobicContact CD1-CB 4.37Å; I661-V711 HydrophobicContact CD1-CG2 3.73Å; I661-V711 HydrophobicContact CG1-CB 3.95Å; I661-V711 HydrophobicContact CG1-CG2 3.76Å |
| 712 | D | 71.3 | Confident | 68.8 | Low | 64 Ų | 64 | 81.6 Ų | 81.6 | 34% | 0.342 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.8 | 165.5 | -164.9 | 12.2 | 0 | 0 | 0 | 109.1 | V658 G714 | V658-D712 HydrophobicContact CG1-CB 4.46Å; D712-G714 PolarHBondContact O-N 3.49Å |
| 713 | D | 62.1 | Low | 67.2 | Low | 60 Ų | 60 | 88.3 Ų | 88.3 | 32% | 0.321 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 3.5 | -173.3 | -77.4 | -16.4 | 0 | 0 | 0 | 113.4 | T659 K681 | T659-D713 PolarHBondContact OG1-OD1 3.06Å; K681-D713 IonicContact NZ-OD1 2.68Å; K681-D713 PolarHBondContact NZ-OD1 3.11Å; K681-D713 IonicContact NZ-OD2 3.16Å; K681-D713 PolarHBondContact NZ-OD2 3.31Å |
| 714 | G | 56.7 | Low | 65.6 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -32 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D712 I716 | D712-G714 PolarHBondContact O-N 3.49Å; G714-I716 PolarHBondContact O-N 2.89Å |
| 715 | E | 54.8 | Low | 64.1 | Low | 182 Ų | 182 | 97.6 Ų | 97.6 | 85% | 0.85 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 34.4 | -169.5 | -62.2 | -171.6 | 159.9 | 0 | 0 | 114.1 | ||
| 716 | I | 56.3 | Low | 62.6 | Low | 114 Ų | 114 | 104 Ų | 104 | 59% | 0.585 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 6 | -177.1 | -68.1 | 174.9 | 0 | 0 | 0 | 112.2 | G714 | G714-I716 PolarHBondContact O-N 2.89Š|
| 717 | Y | 52.6 | Low | 61.2 | Low | 194 Ų | 194 | 113 Ų | 113 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -133.8 | 76.1 | -176.9 | -67.6 | -82.8 | 0 | 0 | 0 | 113.1 | ||
| 718 | D | 54.3 | Low | 60.2 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -146.4 | -23.1 | 160.5 | -132.9 | 3.2 | 0 | 0 | 0 | 113.1 | I720 | D718-I720 PolarHBondContact O-N 3.29Š|
| 719 | D | 54.8 | Low | 58.9 | Low | 170 Ų | 170 | 120.6 Ų | 120.6 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87.8 | 30.9 | -178.3 | -80.2 | -37.7 | 0 | 0 | 0 | 115.8 | ||
| 720 | I | 50.2 | Low | 57.7 | Low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -120.9 | 41.2 | 168.7 | -38.3 | -178.1 | 0 | 0 | 0 | 110.5 | D718 | D718-I720 PolarHBondContact O-N 3.29Š|
| 721 | G | 55.9 | Low | 56.6 | Low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -138.3 | 5.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 722 | G | 51.1 | Low | 55.6 | Low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -95.2 | 122.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 723 | D | 54.6 | Low | 54.7 | Low | 163 Ų | 163 | 141.8 Ų | 141.8 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 23.7 | 94.2 | 157.2 | -61.9 | -21.5 | 0 | 0 | 0 | 118.8 | ||
| 724 | D | 54.9 | Low | 54.3 | Low | 143 Ų | 143 | 146.6 Ų | 146.6 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | -174.2 | 15.7 | 126.5 | -112 | -14.4 | 0 | 0 | 0 | 114.6 | I726 | D724-I726 PolarHBondContact O-N 2.86Š| |||
| 725 | C | 55.6 | Low | 54.1 | Low | 133 Ų | 133 | 152.4 Ų | 152.4 | 90% | 0.899 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 63.3 | 172.2 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | Y727 | C725-Y727 PolarHBondContact O-N 2.74Š| ||
| 726 | I | 56.2 | Low | 54.1 | Low | 139 Ų | 139 | 150.5 Ų | 150.5 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -59.2 | 121.8 | 167.5 | -65.5 | -179.6 | 0 | 0 | 0 | 108.4 | D724 D728 | D724-I726 PolarHBondContact O-N 2.86Å; I726-D728 PolarHBondContact O-N 2.71Å | ||
| 727 | Y | 56 | Low | 53.9 | Low | 214 Ų | 214 | 153.1 Ų | 153.1 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | -72 | 89.9 | 171.4 | -113.6 | -100.8 | 0 | 0 | 0 | 109 | C725 | C725-Y727 PolarHBondContact O-N 2.74Š| ||
| 728 | D | 59.5 | Low | 54 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -82 | 119.4 | 164.1 | -151.8 | 6.4 | 0 | 0 | 0 | 107.9 | I726 | I726-D728 PolarHBondContact O-N 2.71Š| ||
| 729 | N | 49.8 | Very low | 54 | Low | 134 Ų | 134 | 149.4 Ų | 149.4 | 72% | 0.717 | 84% | 0.844 | S | S | * | * | trans | -137 | 91.1 | -168.4 | -178.8 | 110.6 | 0 | 0 | 0 | 109.7 | ||||
| 730 | D | 49.5 | Very low | 53.9 | Low | 230 Ų | 230 | 147.5 Ų | 147.5 | 100% | 1.23 | 84% | 0.838 | S | S | * | * | trans | -142.4 | 0 | 172.8 | -159.2 | 34.3 | 0 | 0 | 0 | 108.7 |
Retrieved 730 of 730 residues in 119.5 ms
(Link to these results)