| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.2 | Very low | 47 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 100% | 1.177 | 83% | 0.834 | S | S | * | * | 0 | 106.1 | 0 | -61.5 | 157.7 | -174.3 | 0 | 0 | 104.9 | |||||
| 2 | A | 44.7 | Very low | 47.3 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | 64 | 123.6 | 59.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3 | A | 49.4 | Very low | 47.4 | Very low | 110 Ų | 110 | 136 Ų | 136 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | cis | -144.1 | -176.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | G | 46.2 | Very low | 47.4 | Very low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | cis | 149.7 | 172.1 | 9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | L | 51.4 | Low | 47.2 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | 72.1 | 156.4 | 171.1 | -51.9 | 170 | 0 | 0 | 0 | 118.6 | ||||
| 6 | Q | 44.4 | Very low | 47.2 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 67% | 0.673 | 83% | 0.832 | S | S | * | * | cis | -168.5 | 104.6 | -40.5 | -162.1 | 71 | 1.4 | 0 | 0 | 112.2 | ||||
| 7 | L | 44.5 | Very low | 47.2 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | trans | 49.6 | -175.7 | 147.6 | -66.2 | 175.9 | 0 | 0 | 0 | 120 | ||||
| 8 | P | 50.2 | Low | 47.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | cis | -120.6 | -175.5 | -15.6 | 15.3 | 10.2 | 0 | 0 | 0 | 115.3 | ||||
| 9 | L | 46 | Very low | 47 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -71.3 | 153.8 | -179.8 | -61 | 168 | 0 | 0 | 0 | 115.5 | ||||
| 10 | I | 48.4 | Very low | 47 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | -170.1 | 147.9 | 126.1 | -101 | 158 | 0 | 0 | 0 | 108.6 | |||||
| 11 | G | 45.8 | Very low | 46.7 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | cis | 155.7 | 81.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 12 | G | 50.6 | Low | 46.8 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -175.3 | 141.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 13 | Q | 48.2 | Very low | 46.9 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -157.6 | 176.5 | -178.5 | -109.1 | -148.3 | 102 | 0 | 0 | 108.1 | ||||
| 14 | P | 47.3 | Very low | 46.7 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | cis | -133.8 | 176.8 | -49.9 | 37.8 | -21.4 | 0 | 0 | 0 | 112 | ||||
| 15 | A | 44.2 | Very low | 46.8 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -155.2 | 122.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | V | 47.8 | Very low | 46.8 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -132.3 | 119.1 | 161.6 | -76.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 17 | A | 47.6 | Very low | 46.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -94 | 118.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 18 | N | 45.5 | Very low | 47.3 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -108.8 | 112.1 | 167.3 | 175.8 | 21 | 0 | 0 | 0 | 108.6 | ||||
| 19 | C | 44 | Very low | 47.2 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -125.5 | 139.9 | 169.2 | -63.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 20 | G | 46.9 | Very low | 47.2 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | cis | 144.6 | 99.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | A22 | G20-A22 PolarHBondContact O-N 2.89Š| ||
| 21 | N | 41.3 | Very low | 47.1 | Very low | 169 Ų | 169 | 119.9 Ų | 119.9 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -75.3 | 110.4 | -170.7 | -179.1 | 85.2 | 0 | 0 | 0 | 111.5 | ||||
| 22 | A | 47.6 | Very low | 46.9 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -132.8 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G20 | G20-A22 PolarHBondContact O-N 2.89Š| ||
| 23 | M | 48.3 | Very low | 46.8 | Very low | 189 Ų | 189 | 126.3 Ų | 126.3 | 93% | 0.931 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 156.6 | -162.3 | -57.1 | 171.8 | -77.5 | 0 | 0 | 115.1 | ||||
| 24 | G | 45 | Very low | 46.6 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 109.4 | 117.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 25 | G | 48 | Very low | 46.7 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 164.5 | 129.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 26 | P | 51.7 | Low | 46.7 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -95.9 | 162.1 | -169.5 | 36.9 | -36.1 | 0 | 0 | 0 | 115.4 | ||||
| 27 | Q | 46.8 | Very low | 46.3 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -78.9 | 163.1 | 162.1 | -69.1 | -166.6 | -22.6 | 0 | 0 | 111.7 | ||||
| 28 | P | 52.6 | Low | 46.3 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -143.9 | 174.6 | 100.9 | 39.6 | -26.2 | 0 | 0 | 0 | 114.8 | |||||
| 29 | G | 47.4 | Very low | 45.9 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | 93.4 | 105.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 30 | A | 45.7 | Very low | 45.7 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | cis | 73.1 | 84.5 | 35.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 31 | E | 46.1 | Very low | 45.4 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | -145.9 | 136.5 | 163.6 | -128.7 | -65.4 | 81 | 0 | 0 | 109 | M33 | E31-M33 WeakPolarHBondContact OE2-CE 3.11Š| ||
| 32 | L | 42.2 | Very low | 45.1 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -111.9 | 67.1 | -160.3 | -104.3 | 167.2 | 0 | 0 | 0 | 112.6 | S34 | L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3Å | ||
| 33 | M | 49 | Very low | 44.8 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -79.9 | 72.6 | -178.8 | -75.7 | -74.1 | 160.6 | 0 | 0 | 113.5 | E31 F35 | E31-M33 WeakPolarHBondContact OE2-CE 3.11Å; M33-F35 VanDerWaalsContact C-N 3.35Å; M33-F35 HydrophobicContact CB-CD2 4.32Å; M33-F35 HydrophobicContact CB-CE2 4.36Å; M33-F35 PolarHBondContact O-N 3.17Å; M33-F35 HydrophobicContact SD-CD2 4.42Å; M33-F35 HydrophobicContact SD-CE2 3.63Å; M33-F35 HydrophobicContact SD-CZ 4.33Å | ||
| 34 | S | 43.1 | Very low | 44.3 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -71 | 80.6 | 169.1 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | L32 G36 | L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3Å; S34-G36 PolarHBondContact O-N 3.48Å | ||
| 35 | F | 50.3 | Low | 44.1 | Very low | 185 Ų | 185 | 118 Ų | 118 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -78.2 | 99.4 | 168.7 | -85.2 | -77.6 | 0 | 0 | 0 | 111.4 | M33 | M33-F35 VanDerWaalsContact C-N 3.35Å; M33-F35 HydrophobicContact CB-CD2 4.32Å; M33-F35 HydrophobicContact CB-CE2 4.36Å; M33-F35 PolarHBondContact O-N 3.17Å; M33-F35 HydrophobicContact SD-CD2 4.42Å; M33-F35 HydrophobicContact SD-CE2 3.63Å; M33-F35 HydrophobicContact SD-CZ 4.33Å | ||
| 36 | G | 43.6 | Very low | 43.8 | Very low | 61 Ų | 61 | 118.9 Ų | 118.9 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 168.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S34 M38 | S34-G36 PolarHBondContact O-N 3.48Å; G36-M38 PolarHBondContact O-N 3.25Å | ||
| 37 | A | 39.1 | Very low | 43.4 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -68.5 | 115.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A39 | A37-A39 PolarHBondContact O-N 3.47Š| ||
| 38 | M | 47.7 | Very low | 43.3 | Very low | 193 Ų | 193 | 115.5 Ų | 115.5 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 104.8 | 158.4 | -81.4 | -168.8 | 167.3 | 0 | 0 | 109.7 | G36 A40 | G36-M38 PolarHBondContact O-N 3.25Å; M38-A40 PolarHBondContact O-N 3.45Å | ||
| 39 | A | 38 | Very low | 43 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 111.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | A37 A41 | A37-A39 PolarHBondContact O-N 3.47Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.93Å | ||
| 40 | A | 39.6 | Very low | 42.9 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -70.9 | 89.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | M38 | M38-A40 PolarHBondContact O-N 3.45Š| ||
| 41 | A | 40.9 | Very low | 42.8 | Very low | 89 Ų | 89 | 119 Ų | 119 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -63.1 | 144.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A39 A43 | A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.93Å; A41-A43 PolarHBondContact O-N 3.27Å; A41-A43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | A | 35.7 | Very low | 42.7 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -72.7 | 105 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 43 | A | 40.3 | Very low | 42.7 | Very low | 97 Ų | 97 | 112 Ų | 112 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 94.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | A41 | A41-A43 PolarHBondContact O-N 3.27Å; A41-A43 VanDerWaalsContact O-N 3.13Å | ||
| 44 | A | 37.4 | Very low | 42.5 | Very low | 107 Ų | 107 | 109.8 Ų | 109.8 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | -81.8 | 119.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 45 | A | 42.1 | Very low | 42.5 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | -149.3 | 142.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | A | 41.8 | Very low | 42.1 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | 49.2 | 94.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 47 | V | 41.6 | Very low | 42.4 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | -130.6 | 134.7 | 104.2 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 48 | A | 44.3 | Very low | 42.6 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -133.7 | 172 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 49 | A | 47.2 | Very low | 42.3 | Very low | 101 Ų | 101 | 111.2 Ų | 111.2 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 63.9 | 93.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 50 | N | 46 | Very low | 42.6 | Very low | 168 Ų | 168 | 115.2 Ų | 115.2 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | -154.3 | 106.5 | 111.9 | -155.3 | -16.3 | 0 | 0 | 0 | 111.1 | |||||
| 51 | A | 43.6 | Very low | 42.8 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -162 | 60.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 52 | G | 43.9 | Very low | 43.5 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -79.3 | 151.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 53 | G | 42.3 | Very low | 43.8 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | cis | 147.2 | 122.7 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | G | 43.8 | Very low | 44 | Very low | 83 Ų | 83 | 121 Ų | 121 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 142.2 | 117.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 55 | Q | 43 | Very low | 44.4 | Very low | 205 Ų | 205 | 120.1 Ų | 120.1 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -112.5 | 151.5 | 169.6 | -61.4 | -179 | 10.7 | 0 | 0 | 109 | ||||
| 56 | G | 42 | Very low | 44.9 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 175.6 | 106.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 57 | P | 49.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -114.3 | 164.7 | -178.6 | 36.8 | -26.8 | 0 | 0 | 0 | 115.5 | ||||
| 58 | Y | 44.3 | Very low | 45.7 | Very low | 233 Ų | 233 | 124.4 Ų | 124.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | 81.5 | 150.4 | 168.5 | -55.4 | -74.9 | 0 | 0 | 0 | 119.9 | ||||
| 59 | G | 40.2 | Very low | 46.1 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 102.5 | 83.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 60 | Q | 44.2 | Very low | 46.2 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 78 | 110.5 | 71.4 | -72.2 | -154.6 | 16.7 | 0 | 0 | 117.9 | |||||
| 61 | H | 44.6 | Very low | 46.2 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | trans | 78.4 | 154.9 | 141.3 | -79.9 | -101 | 0 | 0 | 0 | 122.8 | ||||
| 62 | P | 55.3 | Low | 46.6 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | trans | -126 | 170.1 | -163.1 | 43.4 | -29.6 | 0 | 0 | 0 | 115.8 | ||||
| 63 | N | 41.5 | Very low | 46.7 | Very low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -178.5 | 165.1 | 133.2 | -112.5 | -74.8 | 0 | 0 | 0 | 114.5 | ||||
| 64 | A | 44.7 | Very low | 46.8 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 49.3 | 140.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 65 | A | 47.2 | Very low | 47 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -160.4 | -144.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 66 | L | 50.7 | Low | 47.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 71% | 0.707 | 73% | 0.734 | S | S | * | * | cis | -164.3 | 139.7 | 4.8 | -168.8 | 75.2 | 0 | 0 | 0 | 110.6 | ||||
| 67 | H | 51 | Low | 47.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | trans | 64.6 | 155.9 | 161.1 | -70.3 | 173.6 | 0 | 0 | 0 | 119 | ||||
| 68 | H | 51 | Low | 47.4 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | cis | -149.6 | 147.7 | 4.2 | -138.8 | 50 | 0 | 0 | 0 | 112.2 | ||||
| 69 | H | 51.2 | Low | 47.5 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 62% | 0.616 | 72% | 0.723 | S | S | * | * | trans | 31.6 | 145.5 | 136 | -99.9 | 13.7 | 0 | 0 | 0 | 122.5 | ||||
| 70 | Q | 49.6 | Very low | 47.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | cis | -157.1 | -178.3 | 10.3 | -87.9 | -157.3 | -8.7 | 0 | 0 | 110.1 | ||||
| 71 | H | 46.3 | Very low | 47.8 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | cis | -175.9 | 165.9 | -46.6 | -150.1 | -92.5 | 0 | 0 | 0 | 110.3 | ||||
| 72 | H | 51.8 | Low | 48.2 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | trans | 79 | 115 | 168.9 | -53.4 | -68.4 | 0 | 0 | 0 | 119 | ||||
| 73 | Q | 46 | Very low | 47.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | 86 | 145.1 | 81.3 | -74.2 | 179.5 | 136.2 | 0 | 0 | 114 | |||||
| 74 | A | 45.3 | Very low | 48.1 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | cis | -151.9 | 138.7 | 11.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | T | 48.4 | Very low | 48.4 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | 108.6 | 157.7 | 97.9 | 44.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 76 | T | 45.9 | Very low | 48.1 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -108 | -160.4 | -165 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 77 | P | 50.7 | Low | 48.3 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | cis | -149.7 | -179.1 | 6.6 | 47 | -26.6 | 0 | 0 | 0 | 120.4 | ||||
| 78 | M | 45 | Very low | 48.2 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 64.4 | 161.3 | 155.4 | -60.9 | -105.2 | 76.4 | 0 | 0 | 118.2 | ||||
| 79 | Q | 47.4 | Very low | 48.5 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -160 | 130.9 | 23 | -162.5 | 163.4 | -0.8 | 0 | 0 | 115.8 | ||||
| 80 | Q | 44.6 | Very low | 48.4 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 69.5 | 169.3 | 147.4 | -68.1 | 170.4 | 12.9 | 0 | 0 | 123.8 | ||||
| 81 | H | 45 | Very low | 48.1 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -120.3 | -171.3 | -163.4 | -55.3 | -86 | 0 | 0 | 0 | 110 | ||||
| 82 | P | 53.5 | Low | 48.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -150.4 | -170.6 | 19 | 43.4 | -19.8 | 0 | 0 | 0 | 119.8 | ||||
| 83 | S | 45.4 | Very low | 48.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 107.4 | 133.3 | 152.6 | -59.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 84 | S | 48.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -105.7 | -159.6 | -173.8 | -28.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | P | 51.7 | Low | 47.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -119.3 | 153 | -3.3 | 36.8 | -19.5 | 0 | 0 | 0 | 114.1 | ||||
| 86 | S | 41 | Very low | 47.2 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 76.3 | 116.8 | 60.7 | -160.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 87 | M | 55.1 | Low | 47 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -147.7 | 136.5 | 165.2 | -91.7 | -72 | 105.4 | 0 | 0 | 109 | ||||
| 88 | Q | 49 | Very low | 46.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -128.4 | 145 | 179.8 | -65.7 | 177.9 | -51 | 0 | 0 | 110.7 | ||||
| 89 | P | 57.3 | Low | 46.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 125.4 | 164.9 | 33.2 | -29.2 | 0 | 0 | 0 | 110.7 | ||
| 90 | S | 49.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 149.7 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 91 | T | 42.5 | Very low | 46.1 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 139.5 | 171.8 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 92 | P | 58.8 | Low | 46.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 130.1 | 170.4 | 33.9 | -30 | 0 | 0 | 0 | 111.8 | ||
| 93 | T | 40.2 | Very low | 45.4 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -122.5 | 157.6 | 165.9 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 94 | S | 41.7 | Very low | 45.2 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 55.6 | 119.2 | 170.9 | 51.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 95 | N | 39.3 | Very low | 44.8 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | -158.9 | 162.2 | 97.6 | -106 | -24.2 | 0 | 0 | 0 | 113.4 | |||||
| 96 | T | 39.1 | Very low | 44.1 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 158.4 | -172.9 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 97 | N | 41 | Very low | 44.1 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | -174.3 | 146.8 | 126.3 | -94.8 | -16.7 | 0 | 0 | 0 | 115.5 | |||||
| 98 | S | 42.6 | Very low | 43.8 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 62.9 | 89.2 | 147 | -55.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 99 | S | 40.8 | Very low | 43.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | 46.8 | 103.7 | 113.7 | -49.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 100 | S | 44.1 | Very low | 42.7 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | 175.5 | 126.3 | 127.7 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 101 | S | 42.1 | Very low | 42.4 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | 105.9 | 58.8 | 26 | 77.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 102 | V | 44.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -162 | 149.7 | 151.1 | -91.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | G | 39 | Very low | 41.5 | Very low | 55 Ų | 55 | 123.3 Ų | 123.3 | 57% | 0.567 | 78% | 0.78 | S | S | * | * | cis | 150 | 129.6 | -6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 104 | Y | 40.2 | Very low | 41.9 | Very low | 228 Ų | 228 | 125.7 Ų | 125.7 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 67.4 | 124.3 | 175.4 | -47.1 | -79.6 | 0 | 0 | 0 | 115.8 | ||||
| 105 | N | 40 | Very low | 42.3 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | cis | 79.4 | 123.8 | 18.5 | -154.4 | 11.3 | 0 | 0 | 0 | 115.4 | ||||
| 106 | G | 38.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 158.5 | 116.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 107 | S | 40.2 | Very low | 43 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -69 | 171.8 | -178.3 | -63.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 108 | P | 48.7 | Very low | 43.2 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -92.4 | -175.6 | -176.1 | 38.6 | -38.2 | 0 | 0 | 0 | 115.2 | ||||
| 109 | S | 41.5 | Very low | 43.1 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 102.7 | 148.8 | -175.3 | 76 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 110 | S | 40.9 | Very low | 43.3 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | cis | -166.4 | -176.6 | -15.3 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 111 | L | 43 | Very low | 43.8 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | 79.3 | 160.2 | 162 | -58.4 | 171.7 | 0 | 0 | 0 | 120.4 | ||||
| 112 | S | 41.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 56.2 | 103.6 | 165.5 | -53.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 113 | S | 41.1 | Very low | 43.8 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | 69.3 | 116.6 | 60.9 | 84 | 0 | 0 | 0 | 0 | 115 | |||||
| 114 | L | 49.5 | Very low | 44.1 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -171.5 | 162.7 | 148 | -105.8 | 165.4 | 0 | 0 | 0 | 110 | ||||
| 115 | T | 50.9 | Low | 44 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 161.6 | -163.2 | 39.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 116 | P | 47.5 | Very low | 44.8 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 138.2 | -173.8 | 30.8 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 117 | A | 45.4 | Very low | 45.2 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 140.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 118 | S | 44.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 144.9 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 119 | C | 40.2 | Very low | 45.3 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -114.6 | 76.8 | 170.5 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 120 | S | 44.1 | Very low | 45.5 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -83.2 | 138.8 | 166.1 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 121 | M | 55 | Low | 46 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -132.1 | 137.1 | 173.2 | -87.9 | -71.2 | 162.2 | 0 | 0 | 109.5 | ||||
| 122 | Q | 44.9 | Very low | 46.4 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -89 | 158.2 | -156.7 | -72.6 | 159.6 | -53.4 | 0 | 0 | 114.3 | ||||
| 123 | I | 42.8 | Very low | 46.9 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 91% | 0.908 | 83% | 0.827 | S | S | * | * | trans | -83.2 | 139 | 172.2 | -64.4 | 172.8 | 0 | 0 | 0 | 109.2 | ||||
| 124 | G | 45.6 | Very low | 47 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -137.7 | 128.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 125 | G | 36.9 | Very low | 46.9 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -112.7 | 172.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 126 | P | 57.6 | Low | 47 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | -140.1 | 119 | 129.7 | 33 | -18.1 | 0 | 0 | 0 | 114.6 | |||||
| 127 | Q | 46.8 | Very low | 46.8 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | 45.6 | 139.2 | 117.2 | -48.8 | -89.8 | 60.3 | 0 | 0 | 120.4 | |||||
| 128 | T | 49.6 | Very low | 46.8 | Very low | 152 Ų | 152 | 128 Ų | 128 | 93% | 0.933 | 82% | 0.823 | S | S | * | * | trans | 73.2 | 137.3 | 169.8 | 74.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 129 | G | 40.9 | Very low | 46.8 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | cis | -176.3 | 165.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 130 | M | 47.5 | Very low | 47.1 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | trans | 16.3 | 137.2 | 157.7 | -53.4 | -58.5 | 178.4 | 0 | 0 | 120 | ||||
| 131 | A | 50.3 | Low | 47.3 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | cis | -164.5 | 170.8 | 4.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 132 | P | 50.7 | Low | 46.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -105.4 | 159.9 | -175.6 | 39.2 | -33.7 | 0 | 0 | 0 | 115.3 | ||||
| 133 | I | 51.8 | Low | 46.7 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 94% | 0.938 | 81% | 0.812 | S | S | * | * | trans | 178.5 | 143.4 | 148.7 | -96.3 | 151.4 | 0 | 0 | 0 | 109.3 | ||||
| 134 | G | 43.6 | Very low | 46.7 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 144 | 114.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 135 | S | 48.1 | Very low | 46.4 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -99.1 | 163.9 | -176.7 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 136 | P | 52 | Low | 46.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -106.9 | 167.1 | -161 | 40 | -35.6 | 0 | 0 | 0 | 117 | ||||
| 137 | S | 45.1 | Very low | 45.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -154 | 122.5 | 153.9 | -74.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 138 | S | 43.7 | Very low | 45.5 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | 70.5 | 105.4 | 60.7 | -168.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 139 | M | 45.1 | Very low | 45.4 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -162.1 | 149.4 | 135 | -75.4 | -139 | 179.4 | 0 | 0 | 108.9 | ||||
| 140 | T | 47.7 | Very low | 44.9 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -164.9 | 167.6 | -170.8 | -166.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 141 | M | 48.3 | Very low | 44.5 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 74.7 | 155.7 | 161.6 | -66.2 | -70.9 | -94.5 | 0 | 0 | 121.6 | H143 | M141-H143 VanDerWaalsContact CE-CD2 3.42Å; M141-H143 WeakPolarHBondContact CE-CD2 3.39Å; M141-H143 WeakPolarHBondContact CE-NE2 3.34Å | ||
| 142 | G | 39.3 | Very low | 43.9 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 123.3 | 76.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 143 | H | 46.5 | Very low | 43.5 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 83% | 0.826 | S | S | * | * | 69.2 | 122.3 | 53.5 | -88.7 | -74 | 0 | 0 | 0 | 117.4 | M141 | M141-H143 VanDerWaalsContact CE-CD2 3.42Å; M141-H143 WeakPolarHBondContact CE-CD2 3.39Å; M141-H143 WeakPolarHBondContact CE-NE2 3.34Å | |||
| 144 | Q | 44.6 | Very low | 42.8 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | 157.9 | 143.3 | 146.5 | -87 | 156 | 110.5 | 0 | 0 | 109 | ||||
| 145 | G | 39.1 | Very low | 42.8 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | cis | 178.9 | -165.1 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 146 | R | 43.7 | Very low | 42 | Very low | 231 Ų | 231 | 132.1 Ų | 132.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | 92.1 | 99.7 | 171.5 | -58.6 | -171.1 | 171.4 | 168 | -1.7 | 120.5 | ||||
| 147 | D | 40.1 | Very low | 41.2 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | 47 | 130.9 | 116.2 | -29.2 | -38.7 | 0 | 0 | 0 | 121.2 | |||||
| 148 | G | 38 | Very low | 40.5 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 156.5 | 71.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 149 | L | 46.4 | Very low | 40.3 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 96% | 0.963 | 82% | 0.821 | S | S | * | * | trans | 61.4 | 172.9 | 153.7 | -84.9 | 67.7 | 0 | 0 | 0 | 119.3 | ||||
| 150 | C | 30.9 | Very low | 40.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -107.3 | 141.9 | -165.1 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 151 | S | 40.1 | Very low | 40.6 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -171.8 | 132.3 | 147.3 | -86.1 | 0 | 0 | 0 | 0 | 111.1 | A153 | S151-A153 PolarHBondContact O-N 3.28Š| ||
| 152 | Q | 38 | Very low | 40.5 | Very low | 203 Ų | 203 | 118.4 Ų | 118.4 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -84 | 78.2 | -170.6 | -168.2 | 175.8 | 8.2 | 0 | 0 | 112.8 | G154 | Q152-G154 PolarHBondContact O-N 2.79Š| ||
| 153 | A | 40.6 | Very low | 41.1 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 103.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S151 | S151-A153 PolarHBondContact O-N 3.28Š| ||
| 154 | G | 38.7 | Very low | 41.7 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 122.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q152 | Q152-G154 PolarHBondContact O-N 2.79Š| ||
| 155 | S | 43.7 | Very low | 42.4 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 47.5 | 128 | 153.9 | -157 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 156 | G | 31.6 | Very low | 44.4 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 146.9 | 105.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 157 | G | 34.2 | Very low | 46.5 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 177 | 51.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 158 | G | 31.5 | Very low | 49 | Very low | 67 Ų | 67 | 114.7 Ų | 114.7 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | -72 | -176.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 159 | N | 37.6 | Very low | 51.6 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 77 | 33.6 | 171.8 | -56.1 | -5.1 | 0 | 0 | 0 | 117.2 | ||
| 160 | S | 48.6 | Very low | 54 | Low | 75 Ų | 75 | 118 Ų | 118 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -159.7 | 3.3 | 169.4 | -113.7 | 0 | 0 | 0 | 0 | 117 | K164 | S160-K164 VanDerWaalsContact CB-NZ 3.27Å; S160-K164 WeakPolarHBondContact O-CD 3.34Å; S160-K164 WeakPolarHBondContact O-CE 3.35Å; S160-K164 PolarHBondContact O-NZ 3.38Å; S160-K164 PolarHBondContact OG-NZ 2.94Å |
| 161 | A | 51.8 | Low | 57.1 | Low | 69 Ų | 69 | 114.5 Ų | 114.5 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | trans | -81.1 | -50.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115 | K163 K164 | A161-K163 PolarHBondContact O-N 3.32Å; A161-K164 PolarHBondContact O-N 3.48Å | ||
| 162 | G | 45.2 | Very low | 59.7 | Low | 75 Ų | 75 | 111.6 Ų | 111.6 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 19.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 163 | K | 52.3 | Low | 62.6 | Low | 194 Ų | 194 | 106.2 Ų | 106.2 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | 16.7 | 166.2 | -63.2 | -171.3 | 178.9 | -177.6 | 0 | 112.3 | A161 | A161-K163 PolarHBondContact O-N 3.32Š|
| 164 | K | 59.3 | Low | 65.2 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | -16.6 | -175.7 | -61.7 | -177.3 | -168.1 | 166.4 | 0 | 113 | S160 A161 | S160-K164 VanDerWaalsContact CB-NZ 3.27Å; S160-K164 WeakPolarHBondContact O-CD 3.34Å; S160-K164 WeakPolarHBondContact O-CE 3.35Å; S160-K164 PolarHBondContact O-NZ 3.38Å; S160-K164 PolarHBondContact OG-NZ 2.94Å; A161-K164 PolarHBondContact O-N 3.48Å |
| 165 | D | 58.7 | Low | 68.1 | Low | 138 Ų | 138 | 100.6 Ų | 100.6 | 74% | 0.738 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -83.5 | -33.1 | -172 | -135 | 38.2 | 0 | 0 | 0 | 112.5 | R167 | D165-R167 PolarHBondContact O-N 3.49Š|
| 166 | D | 82.4 | Confident | 70.6 | Confident | 140 Ų | 140 | 98.7 Ų | 98.7 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -56.5 | -21.7 | 171 | -36.6 | -85.9 | 0 | 0 | 0 | 112.2 | V168 | D166-V168 PolarHBondContact O-N 3.37Å; D166-V168 VanDerWaalsContact O-N 3.12Å |
| 167 | R | 87.3 | Confident | 73.7 | Confident | 153 Ų | 153 | 95 Ų | 95 | 58% | 0.577 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -82.7 | 90.7 | 176.3 | -166.9 | -169.7 | -179.7 | 179.7 | 5.2 | 110.9 | D165 K169 R238 | D165-R167 PolarHBondContact O-N 3.49Å; R167-K169 PolarHBondContact O-N 3.09Å; R167-K169 VanDerWaalsContact O-N 3.14Å; R167-R238 PolarHBondContact NH2-O 3.48Å |
| 168 | V | 91.5 | Very high | 76.6 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 27% | 0.273 | 49% | 0.491 | S | S | . | . | trans | -32.5 | 115.6 | 164.6 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | D166 H228 H232 Y235 | D166-V168 PolarHBondContact O-N 3.37Å; D166-V168 VanDerWaalsContact O-N 3.12Å; V168-H228 WeakPolarHBondContact CG1-CE1 3.38Å; V168-H232 HydrophobicContact CG1-CB 4.26Å; V168-Y235 HydrophobicContact CB-CD2 3.87Å; V168-Y235 HydrophobicContact CB-CE2 4.24Å; V168-Y235 HydrophobicContact CG1-CD2 3.41Å; V168-Y235 VanDerWaalsContact CG1-CD2 3.41Å; V168-Y235 HydrophobicContact CG1-CE2 3.86Å; V168-Y235 HydrophobicContact CG1-CG 4.14Å | ||
| 169 | K | 93.8 | Very high | 79.7 | Confident | 165 Ų | 165 | 88.3 Ų | 88.3 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 150.6 | -178.6 | -62.9 | 159 | 69.9 | 87.5 | 0 | 109.5 | R167 H228 | R167-K169 PolarHBondContact O-N 3.09Å; R167-K169 VanDerWaalsContact O-N 3.14Å; K169-H228 PolarHBondContact O-CE1 3.05Å; K169-H228 PolarHBondContact O-NE2 3.19Å |
| 170 | R | 95.9 | Very high | 82.4 | Confident | 156 Ų | 156 | 85.7 Ų | 85.7 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 146.2 | 175.3 | -48.6 | -172.5 | -165 | -145.6 | 5.8 | 110.9 | Y237 | R170-Y237 PolarHBondContact NH1-OH 3.33Å; R170-Y237 PolarHBondContact NH2-OH 2.9Å |
| 171 | P | 96.4 | Very high | 84.5 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 152.8 | 166.5 | 29.3 | -32 | 0 | 0 | 0 | 109.6 | R225 H228 | P171-R225 HydrophobicContact CG-CG 4.42Å; P171-H228 HydrophobicContact CB-CB 3.86Å; P171-H228 HydrophobicContact CG-CB 4.27Å |
| 172 | M | 95.3 | Very high | 86.5 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 30% | 0.3 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 134.9 | -170.2 | -159.1 | 148.4 | 68.2 | 0 | 0 | 111.6 | M176 V177 I409 | M172-M176 WeakPolarHBondContact CE-O 3.4Å; M172-M176 HydrophobicContact CG-CB 3.21Å; M172-M176 HydrophobicContact CG-CG 4.36Å; M172-M176 HydrophobicContact SD-CB 3.68Å; M172-V177 HydrophobicContact CG-CG2 4.5Å; M172-I409 HydrophobicContact CE-CD1 3.15Å |
| 173 | N | 97.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 165.4 | 178.9 | 74.2 | -8 | 0 | 0 | 0 | 112 | F175 M176 V177 | N173-F175 PolarHBondContact O-N 2.87Å; N173-M176 CarbonylContact O-C 3.59Å; N173-M176 WeakPolarHBondContact O-CA 3.4Å; N173-M176 PolarHBondContact O-N 3.4Å; N173-M176 VanDerWaalsContact OD1-CB 3.28Å; N173-M176 WeakPolarHBondContact OD1-CB 3.47Å; N173-M176 WeakPolarHBondContact OD1-CG 3.35Å; N173-M176 PolarHBondContact OD1-N 3.38Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 3.13Å |
| 174 | A | 96.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 77 Ų | 77 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -50.2 | -49.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M176 V177 W178 W206 F217 I218 A221 | A174-M176 VanDerWaalsContact C-N 3.3Å; A174-M176 PolarHBondContact O-N 3.48Å; A174-V177 WeakPolarHBondContact O-CB 3.28Å; A174-V177 PolarHBondContact O-N 2.99Å; A174-W178 WeakPolarHBondContact O-CB 3.32Å; A174-W178 PolarHBondContact O-N 2.96Å; A174-W206 HydrophobicContact CB-CH2 3.82Å; A174-W206 HydrophobicContact CB-CZ2 3.96Å; A174-F217 WeakPolarHBondContact CA-O 3.48Å; A174-F217 HydrophobicContact CB-CB 4.32Å; A174-F217 WeakPolarHBondContact CB-O 3.33Å; A174-I218 HydrophobicContact CB-CB 4.45Å; A174-I218 HydrophobicContact CB-CG1 3.78Å; A174-A221 HydrophobicContact CB-CB 4.22Å |
| 175 | F | 97.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 175.6 | 171.4 | -104.2 | 0 | 0 | 0 | 112.8 | N173 W178 S179 L202 W206 | N173-F175 PolarHBondContact O-N 2.87Å; F175-W178 HydrophobicContact CD2-CE3 4.05Å; F175-W178 HydrophobicContact CD2-CZ3 4.13Å; F175-W178 HydrophobicContact CE2-CE3 4.21Å; F175-W178 AromaticContact CE2-CZ3 3.88Å; F175-W178 HydrophobicContact CE2-CZ3 3.88Å; F175-S179 WeakPolarHBondContact O-CB 3.46Å; F175-S179 PolarHBondContact O-N 3.35Å; F175-S179 PolarHBondContact O-OG 3.03Å; F175-L202 HydrophobicContact CE2-CB 4.48Å; F175-W206 HydrophobicContact CB-CD2 4.26Å; F175-W206 HydrophobicContact CB-CG 4.5Å; F175-W206 HydrophobicContact CD2-CB 3.72Å; F175-W206 AromaticContact CD2-CD1 3.93Å; F175-W206 AromaticContact CD2-CD2 3.92Å; F175-W206 HydrophobicContact CD2-CD2 3.92Å; F175-W206 HydrophobicContact CD2-CE3 4.47Å; F175-W206 AromaticContact CD2-CG 3.53Å; F175-W206 HydrophobicContact CD2-CG 3.53Å; F175-W206 HydrophobicContact CE2-CB 3.95Å; F175-W206 HydrophobicContact CE2-CG 4.26Å; F175-W206 HydrophobicContact CG-CG 4.46Å |
| 176 | M | 97 | Very high | 94.1 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -77.4 | -26.2 | 179.7 | -68.7 | -79.9 | -164.5 | 0 | 0 | 112.9 | M172 N173 A174 | M172-M176 WeakPolarHBondContact CE-O 3.4Å; M172-M176 HydrophobicContact CG-CB 3.21Å; M172-M176 HydrophobicContact CG-CG 4.36Å; M172-M176 HydrophobicContact SD-CB 3.68Å; N173-M176 CarbonylContact O-C 3.59Å; N173-M176 WeakPolarHBondContact O-CA 3.4Å; N173-M176 PolarHBondContact O-N 3.4Å; N173-M176 VanDerWaalsContact OD1-CB 3.28Å; N173-M176 WeakPolarHBondContact OD1-CB 3.47Å; N173-M176 WeakPolarHBondContact OD1-CG 3.35Å; N173-M176 PolarHBondContact OD1-N 3.38Å; A174-M176 VanDerWaalsContact C-N 3.3Å; A174-M176 PolarHBondContact O-N 3.48Å |
| 177 | V | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -59.8 | 166.5 | -180 | 0 | 0 | 0 | 0 | 109.3 | M172 N173 A174 R180 F217 E220 A221 L224 I409 F412 I413 | M172-V177 HydrophobicContact CG-CG2 4.5Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 3.13Å; A174-V177 WeakPolarHBondContact O-CB 3.28Å; A174-V177 PolarHBondContact O-N 2.99Å; V177-R180 PolarHBondContact O-N 2.89Å; V177-F217 HydrophobicContact CG1-CD1 4.12Å; V177-E220 HydrophobicContact CG1-CG 3.96Å; V177-E220 HydrophobicContact CG2-CG 4.49Å; V177-A221 HydrophobicContact CG2-CB 4.29Å; V177-L224 HydrophobicContact CG2-CD1 3.85Å; V177-I409 HydrophobicContact CB-CD1 4.37Å; V177-I409 HydrophobicContact CG1-CD1 4.07Å; V177-I409 HydrophobicContact CG1-CG1 4.19Å; V177-I409 HydrophobicContact CG2-CD1 4.05Å; V177-F412 HydrophobicContact CG1-CD1 4Å; V177-F412 HydrophobicContact CG1-CE1 3.82Å; V177-I413 HydrophobicContact CG1-CG1 4.32Å; V177-I413 WeakPolarHBondContact O-CD1 3.4Å |
| 178 | W | 96.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -49.9 | -177.1 | 171 | 89.1 | 0 | 0 | 0 | 112.9 | A174 F175 R180 G181 Q182 L202 E205 W206 L209 F217 L417 | A174-W178 WeakPolarHBondContact O-CB 3.32Å; A174-W178 PolarHBondContact O-N 2.96Å; F175-W178 HydrophobicContact CD2-CE3 4.05Å; F175-W178 HydrophobicContact CD2-CZ3 4.13Å; F175-W178 HydrophobicContact CE2-CE3 4.21Å; F175-W178 AromaticContact CE2-CZ3 3.88Å; F175-W178 HydrophobicContact CE2-CZ3 3.88Å; W178-R180 PolarHBondContact O-N 3.36Å; W178-R180 VanDerWaalsContact O-N 3.13Å; W178-G181 PolarHBondContact O-N 3.36Å; W178-G181 VanDerWaalsContact O-N 3.16Å; W178-Q182 HydrophobicContact CD2-CG 4.13Å; W178-Q182 HydrophobicContact CH2-CG 4.07Å; W178-Q182 HydrophobicContact CZ2-CG 3.6Å; W178-Q182 PolarHBondContact O-N 2.9Å; W178-L202 HydrophobicContact CH2-CB 4.31Å; W178-L202 HydrophobicContact CH2-CD2 3.9Å; W178-L202 WeakPolarHBondContact CH2-O 3.35Å; W178-L202 HydrophobicContact CZ3-CB 4.02Å; W178-L202 HydrophobicContact CZ3-CD2 4.15Å; W178-L202 WeakPolarHBondContact CZ3-O 3.26Å; W178-E205 HydrophobicContact CH2-CB 3.83Å; W178-E205 HydrophobicContact CZ2-CB 4.21Å; W178-W206 HydrophobicContact CB-CE3 4.1Å; W178-W206 HydrophobicContact CB-CZ3 3.71Å; W178-W206 AromaticContact CD2-CE3 3.58Å; W178-W206 HydrophobicContact CD2-CE3 3.58Å; W178-W206 HydrophobicContact CD2-CZ3 4.05Å; W178-W206 HydrophobicContact CE3-CB 4.28Å; W178-W206 HydrophobicContact CE3-CD2 4.37Å; W178-W206 AromaticContact CE3-CE3 3.64Å; W178-W206 HydrophobicContact CE3-CE3 3.64Å; W178-W206 HydrophobicContact CE3-CZ3 4.42Å; W178-W206 AromaticContact CG-CE3 3.79Å; W178-W206 HydrophobicContact CG-CE3 3.79Å; W178-W206 AromaticContact CG-CZ3 3.73Å; W178-W206 HydrophobicContact CG-CZ3 3.73Å; W178-W206 HydrophobicContact CH2-CB 4.12Å; W178-W206 HydrophobicContact CZ3-CB 3.81Å; W178-W206 HydrophobicContact CZ3-CE3 4.3Å; W178-L209 HydrophobicContact CD2-CD1 4.43Å; W178-L209 HydrophobicContact CZ2-CD1 3.75Å; W178-F217 HydrophobicContact CB-CB 4.21Å; W178-F217 HydrophobicContact CB-CD1 3.76Å; W178-F217 HydrophobicContact CB-CD2 4.26Å; W178-F217 HydrophobicContact CB-CE1 4.32Å; W178-F217 HydrophobicContact CB-CG 3.77Å; W178-F217 AromaticContact CD1-CD2 3.89Å; W178-F217 AromaticContact CD1-CE2 3.71Å; W178-F217 AromaticContact CD1-CZ 3.88Å; W178-F217 HydrophobicContact CG-CD1 4.48Å; W178-F217 HydrophobicContact CG-CD2 4.42Å; W178-F217 HydrophobicContact CG-CG 4.39Å; W178-L417 VanDerWaalsContact O-CD2 3.26Å; W178-L417 WeakPolarHBondContact O-CD2 3.49Å |
| 179 | S | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.8 | -16 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | F175 R183 | F175-S179 WeakPolarHBondContact O-CB 3.46Å; F175-S179 PolarHBondContact O-N 3.35Å; F175-S179 PolarHBondContact O-OG 3.03Å; S179-R183 WeakPolarHBondContact O-CB 3.33Å; S179-R183 PolarHBondContact O-N 3.49Å |
| 180 | R | 93.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 62.5 Ų | 62.5 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 173.7 | 179.4 | 173.3 | 176.2 | -159.7 | -10.5 | 111.7 | V177 W178 T410 I413 | V177-R180 PolarHBondContact O-N 2.89Å; W178-R180 PolarHBondContact O-N 3.36Å; W178-R180 VanDerWaalsContact O-N 3.13Å; R180-T410 PolarHBondContact NH2-OG1 3.05Å; R180-I413 HydrophobicContact CB-CD1 3.88Å; R180-I413 HydrophobicContact CG-CD1 3.97Å |
| 181 | G | 92.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.9 | -49.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W178 R183 R184 K185 | W178-G181 PolarHBondContact O-N 3.36Å; W178-G181 VanDerWaalsContact O-N 3.16Å; G181-R183 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 2.68Å; G181-R184 WeakPolarHBondContact O-CB 3.37Å; G181-R184 PolarHBondContact O-N 3.41Å; G181-K185 PolarHBondContact O-N 2.88Å |
| 182 | Q | 94.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | -179.1 | -61.8 | -57.4 | -11.5 | 0 | 0 | 112.7 | W178 R184 K185 M186 L202 L417 | W178-Q182 HydrophobicContact CD2-CG 4.13Å; W178-Q182 HydrophobicContact CH2-CG 4.07Å; W178-Q182 HydrophobicContact CZ2-CG 3.6Å; W178-Q182 PolarHBondContact O-N 2.9Å; Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 3.28Å; Q182-K185 PolarHBondContact O-N 3.07Å; Q182-M186 WeakPolarHBondContact O-CB 3.17Å; Q182-M186 WeakPolarHBondContact O-CG 3.31Å; Q182-M186 PolarHBondContact O-N 2.83Å; Q182-L202 HydrophobicContact CB-CD1 4.42Å; Q182-L202 HydrophobicContact CB-CD2 3.34Å; Q182-L202 HydrophobicContact CG-CD2 4.18Å; Q182-L417 HydrophobicContact CG-CD2 3.82Å |
| 183 | R | 95.6 | Very high | 94.5 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 25% | 0.253 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 174.2 | 179.6 | -177.9 | -79.8 | 124.6 | -1.8 | 112.2 | S179 G181 A187 N195 I198 S199 L202 | S179-R183 WeakPolarHBondContact O-CB 3.33Å; S179-R183 PolarHBondContact O-N 3.49Å; G181-R183 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 2.68Å; R183-A187 WeakPolarHBondContact O-CB 3.3Å; R183-A187 PolarHBondContact O-N 3.23Å; R183-A187 VanDerWaalsContact O-N 3.1Å; R183-N195 WeakPolarHBondContact CD-ND2 3.33Å; R183-N195 PolarHBondContact NE-ND2 2.88Å; R183-I198 HydrophobicContact CB-CG2 4.48Å; R183-I198 HydrophobicContact CG-CG2 4.22Å; R183-S199 PolarHBondContact NH2-OG 3.19Å; R183-L202 HydrophobicContact CB-CD1 3.87Å |
| 184 | R | 93.6 | Very high | 94.3 | Very high | 113 Ų | 113 | 69.5 Ų | 69.5 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -50.2 | 175.2 | -177.7 | 176.4 | 64.3 | -169.2 | -2.2 | 110.2 | G181 Q182 A187 Q188 N414 | G181-R184 WeakPolarHBondContact O-CB 3.37Å; G181-R184 PolarHBondContact O-N 3.41Å; Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 3.28Å; R184-A187 PolarHBondContact O-N 3.44Å; R184-Q188 WeakPolarHBondContact O-CG 3.29Å; R184-Q188 PolarHBondContact O-N 2.94Å; R184-Q188 PolarHBondContact O-OE1 3.18Å; R184-N414 PolarHBondContact NH1-OD1 3.12Å; R184-N414 VanDerWaalsContact NH1-OD1 3.08Å; R184-N414 PolarHBondContact NH2-OD1 3.48Å |
| 185 | K | 93 | Very high | 94.2 | Very high | 83 Ų | 83 | 72.8 Ų | 72.8 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.2 | -56.6 | 176.1 | 177.8 | 175.9 | 174.3 | 177.3 | 0 | 111.9 | G181 Q182 A187 Q188 E189 | G181-K185 PolarHBondContact O-N 2.88Å; Q182-K185 PolarHBondContact O-N 3.07Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 3.45Å; K185-Q188 WeakPolarHBondContact O-CB 3.47Å; K185-Q188 PolarHBondContact O-N 3.5Å; K185-E189 WeakPolarHBondContact CE-OE1 3.47Å; K185-E189 WeakPolarHBondContact CG-OE1 3.5Å; K185-E189 IonicContact NZ-OE1 3.49Å; K185-E189 WeakPolarHBondContact O-CG 3.5Å; K185-E189 PolarHBondContact O-N 2.89Å |
| 186 | M | 92.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 74 Ų | 74 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -34.6 | -178.6 | -70.2 | -169.5 | 75.1 | 0 | 0 | 113.5 | Q182 N190 I198 R201 L202 | Q182-M186 WeakPolarHBondContact O-CB 3.17Å; Q182-M186 WeakPolarHBondContact O-CG 3.31Å; Q182-M186 PolarHBondContact O-N 2.83Å; M186-N190 WeakPolarHBondContact O-CB 3.38Å; M186-N190 PolarHBondContact O-N 3.25Å; M186-I198 HydrophobicContact CB-CG2 3.95Å; M186-I198 HydrophobicContact SD-CG2 3.97Å; M186-R201 HydrophobicContact CE-CB 3.91Å; M186-R201 HydrophobicContact CE-CG 4.47Å; M186-L202 HydrophobicContact CG-CD2 4.5Å; M186-L202 HydrophobicContact SD-CD2 3.48Å; M186-L202 WeakPolarHBondContact SD-CD2 3.46Å; M186-L202 HydrophobicContact SD-CG 3.8Å |
| 187 | A | 93.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.4 | -26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R183 R184 K185 P191 I198 | R183-A187 WeakPolarHBondContact O-CB 3.3Å; R183-A187 PolarHBondContact O-N 3.23Å; R183-A187 VanDerWaalsContact O-N 3.1Å; R184-A187 PolarHBondContact O-N 3.44Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 3.45Å; A187-P191 WeakPolarHBondContact O-CA 3.39Å; A187-I198 HydrophobicContact CB-CD1 4.12Å |
| 188 | Q | 93.1 | Very high | 94.2 | Very high | 143 Ų | 143 | 72.7 Ų | 72.7 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.7 | -41.7 | 172.2 | -70.2 | 168.3 | -47.8 | 0 | 0 | 111.1 | R184 K185 | R184-Q188 WeakPolarHBondContact O-CG 3.29Å; R184-Q188 PolarHBondContact O-N 2.94Å; R184-Q188 PolarHBondContact O-OE1 3.18Å; K185-Q188 WeakPolarHBondContact O-CB 3.47Å; K185-Q188 PolarHBondContact O-N 3.5Å |
| 189 | E | 93.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 175.9 | -66.4 | 166.9 | 164.4 | 0 | 0 | 112.6 | K185 | K185-E189 WeakPolarHBondContact CE-OE1 3.47Å; K185-E189 WeakPolarHBondContact CG-OE1 3.5Å; K185-E189 IonicContact NZ-OE1 3.49Å; K185-E189 WeakPolarHBondContact O-CG 3.5Å; K185-E189 PolarHBondContact O-N 2.89Å |
| 190 | N | 90.4 | Very high | 94.3 | Very high | 60 Ų | 60 | 80.2 Ų | 80.2 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | trans | -130.9 | 66.9 | -173.7 | -62.4 | -103.8 | 0 | 0 | 0 | 111.6 | M186 K192 M193 | M186-N190 WeakPolarHBondContact O-CB 3.38Å; M186-N190 PolarHBondContact O-N 3.25Å; N190-K192 PolarHBondContact O-N 2.79Å; N190-K192 VanDerWaalsContact O-N 3.07Å; N190-M193 HydrophobicContact CB-CB 3.73Å; N190-M193 HydrophobicContact CB-CE 3.86Å; N190-M193 HydrophobicContact CB-SD 4.48Å; N190-M193 WeakPolarHBondContact O-CB 3.47Å; N190-M193 PolarHBondContact O-N 3.39Å; N190-M193 WeakPolarHBondContact OD1-CE 3.48Å | ||
| 191 | P | 92.4 | Very high | 94.5 | Very high | 112 Ų | 112 | 80 Ų | 80 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.4 | -173.3 | 25.3 | -35.3 | 0 | 0 | 0 | 114.5 | A187 | A187-P191 WeakPolarHBondContact O-CA 3.39Š|
| 192 | K | 93.8 | Very high | 94.7 | Very high | 211 Ų | 211 | 79.8 Ų | 79.8 | 92% | 0.917 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.6 | 173.5 | -64 | -178.6 | -179.8 | 177.2 | 0 | 113.7 | N190 | N190-K192 PolarHBondContact O-N 2.79Å; N190-K192 VanDerWaalsContact O-N 3.07Å |
| 193 | M | 92.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 78.9 Ų | 78.9 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -83 | 122.8 | -174.8 | -170.6 | -176.7 | -64.9 | 0 | 0 | 111.6 | N190 E197 I198 | N190-M193 HydrophobicContact CB-CB 3.73Å; N190-M193 HydrophobicContact CB-CE 3.86Å; N190-M193 HydrophobicContact CB-SD 4.48Å; N190-M193 WeakPolarHBondContact O-CB 3.47Å; N190-M193 PolarHBondContact O-N 3.39Å; N190-M193 WeakPolarHBondContact OD1-CE 3.48Å; M193-E197 HydrophobicContact CG-CB 3.95Å; M193-E197 HydrophobicContact CG-CG 3.94Å; M193-E197 HydrophobicContact SD-CB 4.38Å; M193-E197 HydrophobicContact SD-CG 3.99Å; M193-I198 HydrophobicContact CB-CD1 4.46Å; M193-I198 HydrophobicContact CB-CG1 4.21Å; M193-I198 HydrophobicContact CG-CG1 3.82Å; M193-I198 HydrophobicContact SD-CG1 3.6Å; M193-I198 VanDerWaalsContact SD-CG1 3.6Å |
| 194 | H | 94.6 | Very high | 94.9 | Very high | 136 Ų | 136 | 80.7 Ų | 80.7 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | trans | -66.9 | 143.7 | -179.2 | -174.7 | 66.5 | 0 | 0 | 0 | 112.2 | S196 E197 I198 | H194-S196 PolarHBondContact CD2-OG 3.11Å; H194-S196 PolarHBondContact NE2-OG 2.91Å; H194-S196 PolarHBondContact O-N 3.03Å; H194-S196 VanDerWaalsContact O-N 3.11Å; H194-E197 WeakPolarHBondContact O-CA 2.82Å; H194-E197 WeakPolarHBondContact O-CB 3.4Å; H194-E197 PolarHBondContact O-N 2.99Å; H194-I198 PolarHBondContact O-N 3.19Å | ||
| 195 | N | 94.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 80.3 Ų | 80.3 | 40% | 0.401 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -29.1 | -170.2 | -165.9 | -95.5 | 0 | 0 | 0 | 114.4 | R183 E197 S199 | R183-N195 WeakPolarHBondContact CD-ND2 3.33Å; R183-N195 PolarHBondContact NE-ND2 2.88Å; N195-E197 VanDerWaalsContact C-N 3.3Å; N195-E197 PolarHBondContact O-N 2.99Å; N195-S199 VanDerWaalsContact O-CB 3.3Å; N195-S199 WeakPolarHBondContact O-CB 3.5Å; N195-S199 PolarHBondContact O-N 2.87Å; N195-S199 PolarHBondContact O-OG 3.22Å; N195-S199 PolarHBondContact OD1-OG 3.17Å |
| 196 | S | 96.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 78.6 Ų | 78.6 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 173.1 | -52.6 | 0 | 0 | 0 | 0 | 112 | H194 S199 K200 | H194-S196 PolarHBondContact CD2-OG 3.11Å; H194-S196 PolarHBondContact NE2-OG 2.91Å; H194-S196 PolarHBondContact O-N 3.03Å; H194-S196 VanDerWaalsContact O-N 3.11Å; S196-S199 PolarHBondContact O-N 3.09Å; S196-K200 WeakPolarHBondContact O-CG 3.24Å; S196-K200 PolarHBondContact O-N 3.45Å; S196-K200 VanDerWaalsContact O-N 3.09Å |
| 197 | E | 97.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.4 | -44.9 | 178.7 | -174.6 | 55.5 | -145.4 | 0 | 0 | 111.4 | M193 H194 N195 S199 K200 R201 | M193-E197 HydrophobicContact CG-CB 3.95Å; M193-E197 HydrophobicContact CG-CG 3.94Å; M193-E197 HydrophobicContact SD-CB 4.38Å; M193-E197 HydrophobicContact SD-CG 3.99Å; H194-E197 WeakPolarHBondContact O-CA 2.82Å; H194-E197 WeakPolarHBondContact O-CB 3.4Å; H194-E197 PolarHBondContact O-N 2.99Å; N195-E197 VanDerWaalsContact C-N 3.3Å; N195-E197 PolarHBondContact O-N 2.99Å; E197-S199 PolarHBondContact O-N 3.28Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.41Å; E197-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact OE2-CD 3.35Å; E197-K200 WeakPolarHBondContact OE2-CE 3.48Å; E197-K200 IonicContact OE2-NZ 2.68Å; E197-K200 PolarHBondContact OE2-NZ 3.46Å; E197-R201 PolarHBondContact O-N 2.74Å; E197-R201 IonicContact OE1-NE 3.96Å; E197-R201 PolarHBondContact OE1-NE 3.01Å; E197-R201 IonicContact OE1-NH2 3.94Å |
| 198 | I | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 88.7 Ų | 88.7 | 2% | 0.015 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -52.1 | -46.1 | 169.5 | -61.7 | 175.1 | 0 | 0 | 0 | 109.7 | R183 M186 A187 M193 H194 K200 R201 L202 | R183-I198 HydrophobicContact CB-CG2 4.48Å; R183-I198 HydrophobicContact CG-CG2 4.22Å; M186-I198 HydrophobicContact CB-CG2 3.95Å; M186-I198 HydrophobicContact SD-CG2 3.97Å; A187-I198 HydrophobicContact CB-CD1 4.12Å; M193-I198 HydrophobicContact CB-CD1 4.46Å; M193-I198 HydrophobicContact CB-CG1 4.21Å; M193-I198 HydrophobicContact CG-CG1 3.82Å; M193-I198 HydrophobicContact SD-CG1 3.6Å; M193-I198 VanDerWaalsContact SD-CG1 3.6Å; H194-I198 PolarHBondContact O-N 3.19Å; I198-K200 PolarHBondContact O-N 3.23Å; I198-R201 PolarHBondContact O-N 3.42Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 VanDerWaalsContact O-CG 3.29Å; I198-L202 WeakPolarHBondContact O-CG 3.37Å; I198-L202 PolarHBondContact O-N 3.1Å |
| 199 | S | 97 | Very high | 95.8 | Very high | 35 Ų | 35 | 83.5 Ų | 83.5 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.1 | -25.7 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 114 | R183 N195 S196 E197 G203 | R183-S199 PolarHBondContact NH2-OG 3.19Å; N195-S199 VanDerWaalsContact O-CB 3.3Å; N195-S199 WeakPolarHBondContact O-CB 3.5Å; N195-S199 PolarHBondContact O-N 2.87Å; N195-S199 PolarHBondContact O-OG 3.22Å; N195-S199 PolarHBondContact OD1-OG 3.17Å; S196-S199 PolarHBondContact O-N 3.09Å; E197-S199 PolarHBondContact O-N 3.28Å; S199-G203 PolarHBondContact O-N 3.26Å |
| 200 | K | 97.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 80.3 Ų | 80.3 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.4 | -52.4 | 168.5 | -68.4 | 178.1 | -158.6 | 161.6 | 0 | 110.6 | S196 E197 I198 L202 G203 L204 | S196-K200 WeakPolarHBondContact O-CG 3.24Å; S196-K200 PolarHBondContact O-N 3.45Å; S196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.41Å; E197-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact OE2-CD 3.35Å; E197-K200 WeakPolarHBondContact OE2-CE 3.48Å; E197-K200 IonicContact OE2-NZ 2.68Å; E197-K200 PolarHBondContact OE2-NZ 3.46Å; I198-K200 PolarHBondContact O-N 3.23Å; K200-L202 PolarHBondContact O-N 3.21Å; K200-G203 CarbonylContact O-C 3.6Å; K200-G203 WeakPolarHBondContact O-CA 3Å; K200-G203 PolarHBondContact O-N 2.98Å; K200-L204 PolarHBondContact O-N 2.97Å |
| 201 | R | 97.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 82.6 Ų | 82.6 | 41% | 0.411 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | -177.2 | -65.6 | 179.5 | -176.4 | -149.5 | 1.7 | 110.9 | M186 E197 I198 G203 L204 E205 | M186-R201 HydrophobicContact CE-CB 3.91Å; M186-R201 HydrophobicContact CE-CG 4.47Å; E197-R201 PolarHBondContact O-N 2.74Å; E197-R201 IonicContact OE1-NE 3.96Å; E197-R201 PolarHBondContact OE1-NE 3.01Å; E197-R201 IonicContact OE1-NH2 3.94Å; I198-R201 PolarHBondContact O-N 3.42Å; R201-G203 PolarHBondContact O-N 3.48Å; R201-L204 WeakPolarHBondContact O-CA 3.39Å; R201-L204 WeakPolarHBondContact O-CB 3.37Å; R201-L204 PolarHBondContact O-N 3Å; R201-E205 PolarHBondContact O-N 2.91Å |
| 202 | L | 97.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.6 | -31.7 | 173.1 | -66.4 | 179.5 | 0 | 0 | 0 | 113.6 | F175 W178 Q182 R183 M186 I198 K200 L204 W206 | F175-L202 HydrophobicContact CE2-CB 4.48Å; W178-L202 HydrophobicContact CH2-CB 4.31Å; W178-L202 HydrophobicContact CH2-CD2 3.9Å; W178-L202 WeakPolarHBondContact CH2-O 3.35Å; W178-L202 HydrophobicContact CZ3-CB 4.02Å; W178-L202 HydrophobicContact CZ3-CD2 4.15Å; W178-L202 WeakPolarHBondContact CZ3-O 3.26Å; Q182-L202 HydrophobicContact CB-CD1 4.42Å; Q182-L202 HydrophobicContact CB-CD2 3.34Å; Q182-L202 HydrophobicContact CG-CD2 4.18Å; R183-L202 HydrophobicContact CB-CD1 3.87Å; M186-L202 HydrophobicContact CG-CD2 4.5Å; M186-L202 HydrophobicContact SD-CD2 3.48Å; M186-L202 WeakPolarHBondContact SD-CD2 3.46Å; M186-L202 HydrophobicContact SD-CG 3.8Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 VanDerWaalsContact O-CG 3.29Å; I198-L202 WeakPolarHBondContact O-CG 3.37Å; I198-L202 PolarHBondContact O-N 3.1Å; K200-L202 PolarHBondContact O-N 3.21Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-W206 VanDerWaalsContact O-CB 3.3Å; L202-W206 WeakPolarHBondContact O-CB 3.46Å; L202-W206 PolarHBondContact O-N 3.23Å |
| 203 | G | 97.8 | Very high | 96.4 | Very high | 25 Ų | 25 | 76.7 Ų | 76.7 | 26% | 0.258 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -74.7 | -14.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S199 K200 R201 K207 | S199-G203 PolarHBondContact O-N 3.26Å; K200-G203 CarbonylContact O-C 3.6Å; K200-G203 WeakPolarHBondContact O-CA 3Å; K200-G203 PolarHBondContact O-N 2.98Å; R201-G203 PolarHBondContact O-N 3.48Å; G203-K207 WeakPolarHBondContact O-CG 3.43Å |
| 204 | L | 97.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 55% | 0.55 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -87.6 | -53.2 | 169.2 | -61.3 | 173.2 | 0 | 0 | 0 | 109.8 | K200 R201 L202 W206 K207 N208 | K200-L204 PolarHBondContact O-N 2.97Å; R201-L204 WeakPolarHBondContact O-CA 3.39Å; R201-L204 WeakPolarHBondContact O-CB 3.37Å; R201-L204 PolarHBondContact O-N 3Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.5Å; L204-K207 WeakPolarHBondContact O-CA 3.34Å; L204-K207 WeakPolarHBondContact O-CB 3.34Å; L204-K207 PolarHBondContact O-N 2.75Å; L204-N208 PolarHBondContact O-N 3.24Å; L204-N208 PolarHBondContact O-OD1 3.45Å |
| 205 | E | 97.1 | Very high | 96.6 | Very high | 105 Ų | 105 | 77.1 Ų | 77.1 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.4 | -44.4 | 177.2 | -61.7 | -52.1 | 148.1 | 0 | 0 | 112 | W178 R201 K207 N208 L209 | W178-E205 HydrophobicContact CH2-CB 3.83Å; W178-E205 HydrophobicContact CZ2-CB 4.21Å; R201-E205 PolarHBondContact O-N 2.91Å; E205-K207 PolarHBondContact O-N 2.91Å; E205-N208 PolarHBondContact O-N 2.82Å; E205-N208 VanDerWaalsContact O-N 3.09Å; E205-L209 WeakPolarHBondContact O-CG 3.3Å; E205-L209 PolarHBondContact O-N 3.27Å |
| 206 | W | 97.6 | Very high | 96.6 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -28.6 | 176.4 | 178.7 | -100 | 0 | 0 | 0 | 114 | A174 F175 W178 L202 L204 L209 K214 F217 | A174-W206 HydrophobicContact CB-CH2 3.82Å; A174-W206 HydrophobicContact CB-CZ2 3.96Å; F175-W206 HydrophobicContact CB-CD2 4.26Å; F175-W206 HydrophobicContact CB-CG 4.5Å; F175-W206 HydrophobicContact CD2-CB 3.72Å; F175-W206 AromaticContact CD2-CD1 3.93Å; F175-W206 AromaticContact CD2-CD2 3.92Å; F175-W206 HydrophobicContact CD2-CD2 3.92Å; F175-W206 HydrophobicContact CD2-CE3 4.47Å; F175-W206 AromaticContact CD2-CG 3.53Å; F175-W206 HydrophobicContact CD2-CG 3.53Å; F175-W206 HydrophobicContact CE2-CB 3.95Å; F175-W206 HydrophobicContact CE2-CG 4.26Å; F175-W206 HydrophobicContact CG-CG 4.46Å; W178-W206 HydrophobicContact CB-CE3 4.1Å; W178-W206 HydrophobicContact CB-CZ3 3.71Å; W178-W206 AromaticContact CD2-CE3 3.58Å; W178-W206 HydrophobicContact CD2-CE3 3.58Å; W178-W206 HydrophobicContact CD2-CZ3 4.05Å; W178-W206 HydrophobicContact CE3-CB 4.28Å; W178-W206 HydrophobicContact CE3-CD2 4.37Å; W178-W206 AromaticContact CE3-CE3 3.64Å; W178-W206 HydrophobicContact CE3-CE3 3.64Å; W178-W206 HydrophobicContact CE3-CZ3 4.42Å; W178-W206 AromaticContact CG-CE3 3.79Å; W178-W206 HydrophobicContact CG-CE3 3.79Å; W178-W206 AromaticContact CG-CZ3 3.73Å; W178-W206 HydrophobicContact CG-CZ3 3.73Å; W178-W206 HydrophobicContact CH2-CB 4.12Å; W178-W206 HydrophobicContact CZ3-CB 3.81Å; W178-W206 HydrophobicContact CZ3-CE3 4.3Å; L202-W206 VanDerWaalsContact O-CB 3.3Å; L202-W206 WeakPolarHBondContact O-CB 3.46Å; L202-W206 PolarHBondContact O-N 3.23Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.5Å; W206-L209 HydrophobicContact CE3-CD1 3.96Å; W206-L209 HydrophobicContact CZ3-CD1 4.38Å; W206-K214 HydrophobicContact CH2-CB 4.05Å; W206-K214 HydrophobicContact CH2-CG 3.79Å; W206-K214 HydrophobicContact CZ2-CB 4.42Å; W206-K214 HydrophobicContact CZ2-CD 4.44Å; W206-K214 HydrophobicContact CZ2-CG 3.98Å; W206-K214 HydrophobicContact CZ3-CG 4.1Å; W206-K214 WeakPolarHBondContact O-CE 3.14Å; W206-K214 PolarHBondContact O-NZ 3.05Å; W206-F217 HydrophobicContact CH2-CB 4.24Å; W206-F217 HydrophobicContact CZ3-CB 4.37Å; W206-F217 HydrophobicContact CZ3-CD2 4.41Å |
| 207 | K | 97.3 | Very high | 96.6 | Very high | 151 Ų | 151 | 72.2 Ų | 72.2 | 66% | 0.657 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.7 | -45.7 | 173.8 | -68.4 | 178 | 177.6 | -172.2 | 0 | 110.2 | G203 L204 E205 L209 K214 | G203-K207 WeakPolarHBondContact O-CG 3.43Å; L204-K207 WeakPolarHBondContact O-CA 3.34Å; L204-K207 WeakPolarHBondContact O-CB 3.34Å; L204-K207 PolarHBondContact O-N 2.75Å; E205-K207 PolarHBondContact O-N 2.91Å; K207-L209 PolarHBondContact O-N 3.19Å; K207-K214 PolarHBondContact O-NZ 2.91Å |
| 208 | N | 96.9 | Very high | 96.5 | Very high | 130 Ų | 130 | 70.3 Ų | 70.3 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.1 | -28.9 | -174.4 | -67.5 | 20.9 | 0 | 0 | 0 | 114.1 | L204 E205 | L204-N208 PolarHBondContact O-N 3.24Å; L204-N208 PolarHBondContact O-OD1 3.45Å; E205-N208 PolarHBondContact O-N 2.82Å; E205-N208 VanDerWaalsContact O-N 3.09Å |
| 209 | L | 95 | Very high | 96.5 | Very high | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -54.4 | 141.6 | 173.7 | -71 | 172.3 | 0 | 0 | 0 | 112.2 | W178 E205 W206 K207 E213 K214 | W178-L209 HydrophobicContact CD2-CD1 4.43Å; W178-L209 HydrophobicContact CZ2-CD1 3.75Å; E205-L209 WeakPolarHBondContact O-CG 3.3Å; E205-L209 PolarHBondContact O-N 3.27Å; W206-L209 HydrophobicContact CE3-CD1 3.96Å; W206-L209 HydrophobicContact CZ3-CD1 4.38Å; K207-L209 PolarHBondContact O-N 3.19Å; L209-E213 HydrophobicContact CB-CB 4.33Å; L209-E213 HydrophobicContact CD2-CB 4.14Å; L209-E213 HydrophobicContact CD2-CG 4.46Å; L209-E213 VanDerWaalsContact CD2-OE1 3.25Å; L209-E213 WeakPolarHBondContact CD2-OE1 3.23Å; L209-K214 HydrophobicContact CB-CG 4.23Å; L209-K214 VanDerWaalsContact O-CE 3.25Å; L209-K214 WeakPolarHBondContact O-CE 3.3Å; L209-K214 PolarHBondContact O-NZ 3.35Å |
| 210 | S | 97 | Very high | 96.4 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | trans | -66.1 | 158.6 | 171.8 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | T212 E213 K214 | S210-T212 WeakPolarHBondContact CB-OG1 3.49Å; S210-T212 PolarHBondContact O-N 2.88Å; S210-T212 PolarHBondContact OG-OG1 3.48Å; S210-E213 VanDerWaalsContact CB-OE2 3.23Å; S210-E213 WeakPolarHBondContact CB-OE2 3.25Å; S210-E213 PolarHBondContact N-OE2 3.44Å; S210-E213 PolarHBondContact O-N 3.32Å; S210-E213 VanDerWaalsContact O-N 3.14Å; S210-E213 VanDerWaalsContact OG-CG 3.31Å; S210-E213 WeakPolarHBondContact OG-CG 2.85Å; S210-E213 PolarHBondContact OG-N 3.33Å; S210-E213 VanDerWaalsContact OG-N 3.15Å; S210-E213 PolarHBondContact OG-OE2 3.37Å; S210-K214 WeakPolarHBondContact O-CG 3.08Å; S210-K214 PolarHBondContact O-N 2.89Å | ||
| 211 | E | 95.7 | Very high | 96.3 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 174 | -174.8 | 56.7 | -160.3 | 0 | 0 | 111.8 | K214 R215 I218 | E211-K214 PolarHBondContact O-N 3.34Å; E211-R215 WeakPolarHBondContact O-CG 3.28Å; E211-R215 PolarHBondContact O-N 3.25Å; E211-I218 VanDerWaalsContact OE1-CD1 3.22Å; E211-I218 WeakPolarHBondContact OE1-CD1 3.48Å |
| 212 | T | 96.2 | Very high | 96.3 | Very high | 104 Ų | 104 | 67.7 Ų | 67.7 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 170.9 | 26.3 | 0 | 0 | 0 | 0 | 113.1 | S210 | S210-T212 WeakPolarHBondContact CB-OG1 3.49Å; S210-T212 PolarHBondContact O-N 2.88Å; S210-T212 PolarHBondContact OG-OG1 3.48Å |
| 213 | E | 94.5 | Very high | 96.3 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74.6 | -31.6 | 174 | -69.5 | 160.3 | 103.4 | 0 | 0 | 112.3 | L209 S210 P216 F217 | L209-E213 HydrophobicContact CB-CB 4.33Å; L209-E213 HydrophobicContact CD2-CB 4.14Å; L209-E213 HydrophobicContact CD2-CG 4.46Å; L209-E213 VanDerWaalsContact CD2-OE1 3.25Å; L209-E213 WeakPolarHBondContact CD2-OE1 3.23Å; S210-E213 VanDerWaalsContact CB-OE2 3.23Å; S210-E213 WeakPolarHBondContact CB-OE2 3.25Å; S210-E213 PolarHBondContact N-OE2 3.44Å; S210-E213 PolarHBondContact O-N 3.32Å; S210-E213 VanDerWaalsContact O-N 3.14Å; S210-E213 VanDerWaalsContact OG-CG 3.31Å; S210-E213 WeakPolarHBondContact OG-CG 2.85Å; S210-E213 PolarHBondContact OG-N 3.33Å; S210-E213 VanDerWaalsContact OG-N 3.15Å; S210-E213 PolarHBondContact OG-OE2 3.37Å; E213-P216 WeakPolarHBondContact O-CD 3.25Å; E213-P216 WeakPolarHBondContact O-CG 3.45Å; E213-F217 VanDerWaalsContact O-CD2 3.23Å; E213-F217 WeakPolarHBondContact O-CD2 3.49Å; E213-F217 VanDerWaalsContact O-CE2 3.23Å; E213-F217 WeakPolarHBondContact O-CE2 3.44Å |
| 214 | K | 96.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 71 Ų | 71 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.4 | -34.2 | 177.8 | -71.2 | 162 | 170.9 | 149.7 | 0 | 112.7 | W206 K207 L209 S210 E211 F217 I218 | W206-K214 HydrophobicContact CH2-CB 4.05Å; W206-K214 HydrophobicContact CH2-CG 3.79Å; W206-K214 HydrophobicContact CZ2-CB 4.42Å; W206-K214 HydrophobicContact CZ2-CD 4.44Å; W206-K214 HydrophobicContact CZ2-CG 3.98Å; W206-K214 HydrophobicContact CZ3-CG 4.1Å; W206-K214 WeakPolarHBondContact O-CE 3.14Å; W206-K214 PolarHBondContact O-NZ 3.05Å; K207-K214 PolarHBondContact O-NZ 2.91Å; L209-K214 HydrophobicContact CB-CG 4.23Å; L209-K214 VanDerWaalsContact O-CE 3.25Å; L209-K214 WeakPolarHBondContact O-CE 3.3Å; L209-K214 PolarHBondContact O-NZ 3.35Å; S210-K214 WeakPolarHBondContact O-CG 3.08Å; S210-K214 PolarHBondContact O-N 2.89Å; E211-K214 PolarHBondContact O-N 3.34Å; K214-F217 PolarHBondContact O-N 3.2Å; K214-I218 HydrophobicContact CB-CD1 3.81Å; K214-I218 HydrophobicContact CB-CG1 4.47Å; K214-I218 WeakPolarHBondContact O-CG1 3.1Å; K214-I218 PolarHBondContact O-N 3.33Å |
| 215 | R | 96.2 | Very high | 96.1 | Very high | 151 Ų | 151 | 69.8 Ų | 69.8 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -45.4 | -55 | -176.5 | -90.6 | -180 | 179.7 | -158.7 | -0.6 | 115.8 | E211 F217 I218 D219 | E211-R215 WeakPolarHBondContact O-CG 3.28Å; E211-R215 PolarHBondContact O-N 3.25Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 3.35Å; R215-I218 CarbonylContact O-C 3.59Å; R215-I218 WeakPolarHBondContact O-CA 3.26Å; R215-I218 WeakPolarHBondContact O-CB 3.37Å; R215-I218 PolarHBondContact O-N 3.15Å; R215-D219 PolarHBondContact O-N 2.83Å |
| 216 | P | 94.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.1 | -39.1 | 179.2 | 19.6 | -32.4 | 0 | 0 | 0 | 112.9 | E213 D219 E220 F412 Y416 | E213-P216 WeakPolarHBondContact O-CD 3.25Å; E213-P216 WeakPolarHBondContact O-CG 3.45Å; P216-D219 PolarHBondContact O-N 2.98Å; P216-E220 WeakPolarHBondContact O-CB 3.34Å; P216-E220 PolarHBondContact O-N 2.72Å; P216-F412 HydrophobicContact CB-CZ 4.17Å; P216-F412 WeakPolarHBondContact O-CZ 3.14Å; P216-Y416 HydrophobicContact CB-CD1 4.01Å; P216-Y416 HydrophobicContact CB-CE1 3.95Å; P216-Y416 HydrophobicContact CG-CD1 4.39Å |
| 217 | F | 95.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.2 | -29.9 | 177.6 | -50.6 | -72.1 | 0 | 0 | 0 | 112.8 | A174 V177 W178 W206 E213 K214 R215 A221 F412 L417 | A174-F217 WeakPolarHBondContact CA-O 3.48Å; A174-F217 HydrophobicContact CB-CB 4.32Å; A174-F217 WeakPolarHBondContact CB-O 3.33Å; V177-F217 HydrophobicContact CG1-CD1 4.12Å; W178-F217 HydrophobicContact CB-CB 4.21Å; W178-F217 HydrophobicContact CB-CD1 3.76Å; W178-F217 HydrophobicContact CB-CD2 4.26Å; W178-F217 HydrophobicContact CB-CE1 4.32Å; W178-F217 HydrophobicContact CB-CG 3.77Å; W178-F217 AromaticContact CD1-CD2 3.89Å; W178-F217 AromaticContact CD1-CE2 3.71Å; W178-F217 AromaticContact CD1-CZ 3.88Å; W178-F217 HydrophobicContact CG-CD1 4.48Å; W178-F217 HydrophobicContact CG-CD2 4.42Å; W178-F217 HydrophobicContact CG-CG 4.39Å; W206-F217 HydrophobicContact CH2-CB 4.24Å; W206-F217 HydrophobicContact CZ3-CB 4.37Å; W206-F217 HydrophobicContact CZ3-CD2 4.41Å; E213-F217 VanDerWaalsContact O-CD2 3.23Å; E213-F217 WeakPolarHBondContact O-CD2 3.49Å; E213-F217 VanDerWaalsContact O-CE2 3.23Å; E213-F217 WeakPolarHBondContact O-CE2 3.44Å; K214-F217 PolarHBondContact O-N 3.2Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 3.35Å; F217-A221 VanDerWaalsContact O-CB 3.23Å; F217-A221 WeakPolarHBondContact O-CB 3.12Å; F217-A221 PolarHBondContact O-N 2.88Å; F217-A221 VanDerWaalsContact O-N 3.09Å; F217-F412 AromaticContact CD1-CE1 3.75Å; F217-F412 HydrophobicContact CD1-CE1 3.75Å; F217-F412 HydrophobicContact CD1-CZ 4.25Å; F217-F412 AromaticContact CE1-CE1 3.87Å; F217-F412 HydrophobicContact CE1-CE1 3.87Å; F217-F412 HydrophobicContact CE1-CZ 4.36Å; F217-L417 HydrophobicContact CE1-CD1 3.71Å; F217-L417 HydrophobicContact CE2-CD1 4.28Å; F217-L417 HydrophobicContact CZ-CD1 3.35Å |
| 218 | I | 95.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 62 Ų | 62 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68 | -44.6 | 172 | -70.9 | 167.9 | 0 | 0 | 0 | 110.6 | A174 E211 K214 R215 A221 K222 | A174-I218 HydrophobicContact CB-CB 4.45Å; A174-I218 HydrophobicContact CB-CG1 3.78Å; E211-I218 VanDerWaalsContact OE1-CD1 3.22Å; E211-I218 WeakPolarHBondContact OE1-CD1 3.48Å; K214-I218 HydrophobicContact CB-CD1 3.81Å; K214-I218 HydrophobicContact CB-CG1 4.47Å; K214-I218 WeakPolarHBondContact O-CG1 3.1Å; K214-I218 PolarHBondContact O-N 3.33Å; R215-I218 CarbonylContact O-C 3.59Å; R215-I218 WeakPolarHBondContact O-CA 3.26Å; R215-I218 WeakPolarHBondContact O-CB 3.37Å; R215-I218 PolarHBondContact O-N 3.15Å; I218-A221 PolarHBondContact O-N 2.67Å; I218-K222 WeakPolarHBondContact O-CG 3.48Å; I218-K222 PolarHBondContact O-N 3.46Å |
| 219 | D | 96.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.6 | -37.2 | -177.6 | -67.3 | -35.6 | 0 | 0 | 0 | 112.4 | R215 P216 A221 K222 R223 | R215-D219 PolarHBondContact O-N 2.83Å; P216-D219 PolarHBondContact O-N 2.98Å; D219-A221 VanDerWaalsContact C-N 3.33Å; D219-A221 PolarHBondContact O-N 3.01Å; D219-K222 WeakPolarHBondContact O-CB 3.38Å; D219-K222 PolarHBondContact O-N 2.58Å; D219-K222 WeakPolarHBondContact OD1-CD 3.35Å; D219-K222 WeakPolarHBondContact OD1-CE 3.44Å; D219-K222 IonicContact OD1-NZ 3.41Å; D219-K222 PolarHBondContact OD1-NZ 2.79Å; D219-R223 PolarHBondContact O-N 3.29Å |
| 220 | E | 94.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 167.6 | 175 | 63 | -179.2 | 0 | 0 | 111.5 | V177 P216 K222 R223 L224 F412 | V177-E220 HydrophobicContact CG1-CG 3.96Å; V177-E220 HydrophobicContact CG2-CG 4.49Å; P216-E220 WeakPolarHBondContact O-CB 3.34Å; P216-E220 PolarHBondContact O-N 2.72Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.43Å; E220-R223 WeakPolarHBondContact O-CB 3.31Å; E220-R223 PolarHBondContact O-N 3.02Å; E220-R223 IonicContact OE1-CZ 2.74Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.56Å; E220-R223 PolarHBondContact OE1-NH2 3.09Å; E220-R223 IonicContact OE2-CZ 3.39Å; E220-R223 IonicContact OE2-NE 3.54Å; E220-R223 PolarHBondContact OE2-NE 3.22Å; E220-R223 IonicContact OE2-NH2 2.73Å; E220-R223 PolarHBondContact OE2-NH2 3.36Å; E220-L224 HydrophobicContact CG-CD1 3.9Å; E220-L224 HydrophobicContact CG-CG 4.29Å; E220-L224 WeakPolarHBondContact O-CB 3.42Å; E220-L224 VanDerWaalsContact O-CG 3.24Å; E220-L224 WeakPolarHBondContact O-CG 3.22Å; E220-L224 PolarHBondContact O-N 3.05Å; E220-F412 HydrophobicContact CB-CD1 4.16Å; E220-F412 HydrophobicContact CB-CD2 4.17Å; E220-F412 HydrophobicContact CB-CE1 3.78Å; E220-F412 HydrophobicContact CB-CE2 3.77Å; E220-F412 HydrophobicContact CB-CG 4.37Å; E220-F412 HydrophobicContact CB-CZ 3.58Å; E220-F412 HydrophobicContact CG-CD1 3.73Å; E220-F412 HydrophobicContact CG-CD2 4.14Å; E220-F412 HydrophobicContact CG-CE1 3.84Å; E220-F412 HydrophobicContact CG-CE2 4.23Å; E220-F412 HydrophobicContact CG-CG 3.91Å; E220-F412 HydrophobicContact CG-CZ 4.1Å |
| 221 | A | 96.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -32 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A174 V177 F217 I218 D219 R225 | A174-A221 HydrophobicContact CB-CB 4.22Å; V177-A221 HydrophobicContact CG2-CB 4.29Å; F217-A221 VanDerWaalsContact O-CB 3.23Å; F217-A221 WeakPolarHBondContact O-CB 3.12Å; F217-A221 PolarHBondContact O-N 2.88Å; F217-A221 VanDerWaalsContact O-N 3.09Å; I218-A221 PolarHBondContact O-N 2.67Å; D219-A221 VanDerWaalsContact C-N 3.33Å; D219-A221 PolarHBondContact O-N 3.01Å; A221-R225 WeakPolarHBondContact O-CB 3.42Å; A221-R225 PolarHBondContact O-N 3.2Å; A221-R225 VanDerWaalsContact O-N 3.07Å |
| 222 | K | 97.2 | Very high | 95.6 | Very high | 125 Ų | 125 | 68.4 Ų | 68.4 | 54% | 0.543 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 169.4 | -68.3 | 169.3 | -166.9 | 160.9 | 0 | 110.8 | I218 D219 E220 R225 A226 | I218-K222 WeakPolarHBondContact O-CG 3.48Å; I218-K222 PolarHBondContact O-N 3.46Å; D219-K222 WeakPolarHBondContact O-CB 3.38Å; D219-K222 PolarHBondContact O-N 2.58Å; D219-K222 WeakPolarHBondContact OD1-CD 3.35Å; D219-K222 WeakPolarHBondContact OD1-CE 3.44Å; D219-K222 IonicContact OD1-NZ 3.41Å; D219-K222 PolarHBondContact OD1-NZ 2.79Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.43Å; K222-R225 PolarHBondContact O-N 2.86Å; K222-A226 PolarHBondContact O-N 3.16Å |
| 223 | R | 96.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 69 Ų | 69 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.6 | -53.6 | 176.5 | -172.6 | -167.4 | 68.9 | 99.2 | -17.5 | 111.1 | D219 E220 R225 A226 D227 N407 | D219-R223 PolarHBondContact O-N 3.29Å; E220-R223 WeakPolarHBondContact O-CB 3.31Å; E220-R223 PolarHBondContact O-N 3.02Å; E220-R223 IonicContact OE1-CZ 2.74Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.56Å; E220-R223 PolarHBondContact OE1-NH2 3.09Å; E220-R223 IonicContact OE2-CZ 3.39Å; E220-R223 IonicContact OE2-NE 3.54Å; E220-R223 PolarHBondContact OE2-NE 3.22Å; E220-R223 IonicContact OE2-NH2 2.73Å; E220-R223 PolarHBondContact OE2-NH2 3.36Å; R223-R225 PolarHBondContact O-N 3.37Å; R223-A226 PolarHBondContact O-N 3.38Å; R223-D227 IonicContact CZ-OD2 3.68Å; R223-D227 IonicContact NH1-OD2 2.76Å; R223-D227 PolarHBondContact NH1-OD2 2.82Å; R223-D227 PolarHBondContact O-N 3.13Å; R223-N407 PolarHBondContact NH2-O 3.35Å |
| 224 | L | 95.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -33.6 | 178.4 | -68.2 | 168.3 | 0 | 0 | 0 | 112.4 | V177 E220 H228 I409 | V177-L224 HydrophobicContact CG2-CD1 3.85Å; E220-L224 HydrophobicContact CG-CD1 3.9Å; E220-L224 HydrophobicContact CG-CG 4.29Å; E220-L224 WeakPolarHBondContact O-CB 3.42Å; E220-L224 VanDerWaalsContact O-CG 3.24Å; E220-L224 WeakPolarHBondContact O-CG 3.22Å; E220-L224 PolarHBondContact O-N 3.05Å; L224-H228 WeakPolarHBondContact O-CB 3.2Å; L224-H228 PolarHBondContact O-N 3.08Å; L224-H228 VanDerWaalsContact O-N 3.14Å; L224-I409 HydrophobicContact CD1-CD1 3.59Å; L224-I409 HydrophobicContact CD1-CG1 3.97Å; L224-I409 HydrophobicContact CD2-CB 4.43Å |
| 225 | R | 95.5 | Very high | 95.5 | Very high | 80 Ų | 80 | 72 Ų | 72 | 30% | 0.302 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69 | -44.9 | 172.2 | -174.9 | 179.7 | 176.6 | -159.8 | -5.7 | 111.7 | P171 A221 K222 R223 H228 M229 Y317 | P171-R225 HydrophobicContact CG-CG 4.42Å; A221-R225 WeakPolarHBondContact O-CB 3.42Å; A221-R225 PolarHBondContact O-N 3.2Å; A221-R225 VanDerWaalsContact O-N 3.07Å; K222-R225 PolarHBondContact O-N 2.86Å; R223-R225 PolarHBondContact O-N 3.37Å; R225-H228 PolarHBondContact O-N 3.23Å; R225-M229 WeakPolarHBondContact O-CG 3.36Å; R225-M229 PolarHBondContact O-N 2.83Å; R225-Y317 VanDerWaalsContact NH1-CE2 3.32Å; R225-Y317 VanDerWaalsContact NH2-CD1 3.29Å |
| 226 | A | 96 | Very high | 95.4 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K222 R223 H228 M229 K230 | K222-A226 PolarHBondContact O-N 3.16Å; R223-A226 PolarHBondContact O-N 3.38Å; A226-H228 PolarHBondContact O-N 2.67Å; A226-M229 PolarHBondContact O-N 2.97Å; A226-K230 PolarHBondContact O-N 3.32Å |
| 227 | D | 94.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 76.2 Ų | 76.2 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 174.7 | -75 | -30.2 | 0 | 0 | 0 | 111.2 | R223 K230 L231 | R223-D227 IonicContact CZ-OD2 3.68Å; R223-D227 IonicContact NH1-OD2 2.76Å; R223-D227 PolarHBondContact NH1-OD2 2.82Å; R223-D227 PolarHBondContact O-N 3.13Å; D227-K230 PolarHBondContact O-N 3.23Å; D227-L231 WeakPolarHBondContact O-CB 3.4Å; D227-L231 VanDerWaalsContact O-CG 3.29Å; D227-L231 WeakPolarHBondContact O-CG 3.43Å; D227-L231 PolarHBondContact O-N 2.88Å |
| 228 | H | 95.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 84.3 Ų | 84.3 | 10% | 0.102 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 176.8 | -169.8 | 80.4 | 0 | 0 | 0 | 113.7 | V168 K169 P171 L224 R225 A226 K230 H232 Y235 | V168-H228 WeakPolarHBondContact CG1-CE1 3.38Å; K169-H228 PolarHBondContact O-CE1 3.05Å; K169-H228 PolarHBondContact O-NE2 3.19Å; P171-H228 HydrophobicContact CB-CB 3.86Å; P171-H228 HydrophobicContact CG-CB 4.27Å; L224-H228 WeakPolarHBondContact O-CB 3.2Å; L224-H228 PolarHBondContact O-N 3.08Å; L224-H228 VanDerWaalsContact O-N 3.14Å; R225-H228 PolarHBondContact O-N 3.23Å; A226-H228 PolarHBondContact O-N 2.67Å; H228-K230 VanDerWaalsContact C-N 3.29Å; H228-H232 AromaticContact CE1-CD2 3.6Å; H228-H232 AromaticContact ND1-CD2 3.64Å; H228-H232 PolarHBondContact O-N 3.38Å; H228-Y235 AromaticContact CD2-CD1 3.97Å; H228-Y235 AromaticContact NE2-CD1 3.56Å; H228-Y235 AromaticContact NE2-CD2 3.95Å; H228-Y235 AromaticContact NE2-CE1 3.73Å; H228-Y235 AromaticContact NE2-CG 3.68Å; H228-Y235 AromaticContact NE2-CZ 3.98Å |
| 229 | M | 95.7 | Very high | 95.1 | Very high | 85 Ų | 85 | 87.3 Ų | 87.3 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.7 | -33 | 172.7 | -57.6 | -71.2 | 74.6 | 0 | 0 | 111.7 | R225 A226 H232 P233 Y235 | R225-M229 WeakPolarHBondContact O-CG 3.36Å; R225-M229 PolarHBondContact O-N 2.83Å; A226-M229 PolarHBondContact O-N 2.97Å; M229-H232 CarbonylContact O-C 3.59Å; M229-P233 WeakPolarHBondContact O-CA 3.44Å; M229-Y235 HydrophobicContact CE-CD1 4Å |
| 230 | K | 95.5 | Very high | 94.9 | Very high | 174 Ų | 174 | 93.5 Ų | 93.5 | 76% | 0.757 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72.1 | -37.4 | 177.4 | -176 | 176.5 | -179.9 | 176.1 | 0 | 113 | A226 D227 H228 | A226-K230 PolarHBondContact O-N 3.32Å; D227-K230 PolarHBondContact O-N 3.23Å; H228-K230 VanDerWaalsContact C-N 3.29Å |
| 231 | L | 94.2 | Very high | 94.7 | Very high | 128 Ų | 128 | 104.2 Ų | 104.2 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -83.6 | -26.1 | 180 | -68.5 | 170.7 | 0 | 0 | 0 | 113.3 | D227 | D227-L231 WeakPolarHBondContact O-CB 3.4Å; D227-L231 VanDerWaalsContact O-CG 3.29Å; D227-L231 WeakPolarHBondContact O-CG 3.43Å; D227-L231 PolarHBondContact O-N 2.88Å |
| 232 | H | 93.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 112.5 Ų | 112.5 | 29% | 0.292 | 52% | 0.516 | S | S | . | . | trans | -135.7 | 73 | -179.7 | -50.7 | -67.2 | 0 | 0 | 0 | 111 | V168 H228 M229 D234 Y235 | V168-H232 HydrophobicContact CG1-CB 4.26Å; H228-H232 AromaticContact CE1-CD2 3.6Å; H228-H232 AromaticContact ND1-CD2 3.64Å; H228-H232 PolarHBondContact O-N 3.38Å; M229-H232 CarbonylContact O-C 3.59Å; H232-D234 PolarHBondContact O-N 3.34Å; H232-Y235 VanDerWaalsContact O-CB 3.22Å; H232-Y235 WeakPolarHBondContact O-CB 3.49Å; H232-Y235 PolarHBondContact O-N 3.46Å; H232-Y235 VanDerWaalsContact O-N 3.08Å | ||
| 233 | P | 94.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 115.8 Ų | 115.8 | 76% | 0.76 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21 | -176.5 | 27.3 | -35.5 | 0 | 0 | 0 | 113.7 | M229 | M229-P233 WeakPolarHBondContact O-CA 3.44Š|
| 234 | D | 94.3 | Very high | 92.8 | Very high | 134 Ų | 134 | 122.2 Ų | 122.2 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -7.7 | 175.5 | 71.8 | -54.5 | 0 | 0 | 0 | 113.6 | H232 K236 | H232-D234 PolarHBondContact O-N 3.34Å; D234-K236 PolarHBondContact O-N 3.08Å |
| 235 | Y | 95.9 | Very high | 91.9 | Very high | 56 Ų | 56 | 126.7 Ų | 126.7 | 22% | 0.22 | 59% | 0.591 | C | S | . | * | trans | -62.6 | 108.8 | -170.8 | 172.3 | -98.6 | 0 | 0 | 0 | 112.6 | V168 H228 M229 H232 | V168-Y235 HydrophobicContact CB-CD2 3.87Å; V168-Y235 HydrophobicContact CB-CE2 4.24Å; V168-Y235 HydrophobicContact CG1-CD2 3.41Å; V168-Y235 VanDerWaalsContact CG1-CD2 3.41Å; V168-Y235 HydrophobicContact CG1-CE2 3.86Å; V168-Y235 HydrophobicContact CG1-CG 4.14Å; H228-Y235 AromaticContact CD2-CD1 3.97Å; H228-Y235 AromaticContact NE2-CD1 3.56Å; H228-Y235 AromaticContact NE2-CD2 3.95Å; H228-Y235 AromaticContact NE2-CE1 3.73Å; H228-Y235 AromaticContact NE2-CG 3.68Å; H228-Y235 AromaticContact NE2-CZ 3.98Å; M229-Y235 HydrophobicContact CE-CD1 4Å; H232-Y235 VanDerWaalsContact O-CB 3.22Å; H232-Y235 WeakPolarHBondContact O-CB 3.49Å; H232-Y235 PolarHBondContact O-N 3.46Å; H232-Y235 VanDerWaalsContact O-N 3.08Å | ||
| 236 | K | 93.9 | Very high | 90.8 | Very high | 153 Ų | 153 | 130.3 Ų | 130.3 | 67% | 0.665 | 62% | 0.616 | S | S | * | * | trans | -109.6 | 121.2 | 175.2 | -165 | 158.2 | -170.9 | 160.5 | 0 | 111.3 | D234 R238 | D234-K236 PolarHBondContact O-N 3.08Å; K236-R238 PolarHBondContact O-N 3.03Å | ||
| 237 | Y | 95.4 | Very high | 89.4 | Confident | 118 Ų | 118 | 134.9 Ų | 134.9 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | trans | -63.9 | 104.9 | 176.1 | 170.2 | -133.9 | 0 | 0 | 0 | 111.5 | R170 P239 | R170-Y237 PolarHBondContact NH1-OH 3.33Å; R170-Y237 PolarHBondContact NH2-OH 2.9Å; Y237-P239 HydrophobicContact CE1-CG 4.28Å; Y237-P239 HydrophobicContact CE2-CB 3.98Å; Y237-P239 HydrophobicContact CE2-CG 4.29Å; Y237-P239 WeakPolarHBondContact O-CD 3.45Å | ||
| 238 | R | 93.1 | Very high | 87.5 | Confident | 183 Ų | 183 | 141.3 Ų | 141.3 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | trans | -109.9 | 95.7 | 175.8 | -65.5 | 176 | -169.7 | -107.9 | 8.9 | 110.3 | R167 K236 R240 | R167-R238 PolarHBondContact NH2-O 3.48Å; K236-R238 PolarHBondContact O-N 3.03Å; R238-R240 PolarHBondContact O-N 3.12Å | ||
| 239 | P | 93 | Very high | 85.8 | Confident | 83 Ų | 83 | 149.4 Ų | 149.4 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | trans | -64.9 | 121.8 | 174.3 | 20.9 | -28.6 | 0 | 0 | 0 | 111.4 | Y237 R241 | Y237-P239 HydrophobicContact CE1-CG 4.28Å; Y237-P239 HydrophobicContact CE2-CB 3.98Å; Y237-P239 HydrophobicContact CE2-CG 4.29Å; Y237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-R241 PolarHBondContact O-N 3.41Å | ||
| 240 | R | 90.9 | Very high | 84 | Confident | 206 Ų | 206 | 151.9 Ų | 151.9 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | -84.9 | 103.3 | -179.8 | -170.2 | 173.4 | -170.2 | -111.2 | 1.1 | 110.4 | R238 K242 | R238-R240 PolarHBondContact O-N 3.12Å; R240-K242 PolarHBondContact O-N 3Å | ||
| 241 | R | 90.7 | Very high | 82.2 | Confident | 238 Ų | 238 | 152.4 Ų | 152.4 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.8 | 165.7 | -65.5 | 176 | 73.6 | 157.1 | 0.2 | 108.5 | P239 | P239-R241 PolarHBondContact O-N 3.41Š|
| 242 | K | 86.5 | Confident | 80.1 | Confident | 183 Ų | 183 | 156 Ų | 156 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 141.8 | 159 | -66.1 | -176.5 | 179.6 | -177.8 | 0 | 107.3 | R240 K244 | R240-K242 PolarHBondContact O-N 3Å; K242-K244 PolarHBondContact O-N 3.26Å |
| 243 | Q | 86.3 | Confident | 78.1 | Confident | 194 Ų | 194 | 162.1 Ų | 162.1 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.3 | 164.8 | -74.9 | 164 | -52.2 | 0 | 0 | 108 | T245 | Q243-T245 PolarHBondContact O-N 3.33Š|
| 244 | K | 78.1 | Confident | 75.6 | Confident | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -81.3 | 112.1 | 168 | -67.1 | 179.8 | 69 | -179.1 | 0 | 106.3 | K242 L246 | K242-K244 PolarHBondContact O-N 3.26Å; K244-L246 PolarHBondContact O-N 3.14Å | ||
| 245 | T | 77.1 | Confident | 73.4 | Confident | 127 Ų | 127 | 159.6 Ų | 159.6 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 101.1 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 108.4 | Q243 L247 | Q243-T245 PolarHBondContact O-N 3.33Å; T245-L247 PolarHBondContact O-N 2.8Å | ||
| 246 | L | 70.5 | Confident | 71.1 | Confident | 157 Ų | 157 | 164 Ų | 164 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -72.4 | -18.3 | -176.3 | -123.6 | 168.9 | 0 | 0 | 0 | 112.6 | K244 K248 | K244-L246 PolarHBondContact O-N 3.14Å; L246-K248 PolarHBondContact O-N 3.15Å | ||
| 247 | L | 67.4 | Low | 68.6 | Low | 156 Ų | 156 | 160 Ų | 160 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -83.2 | 75.3 | -175.8 | -60.7 | 89.9 | 0 | 0 | 0 | 112.2 | T245 | T245-L247 PolarHBondContact O-N 2.8Š| ||
| 248 | K | 55.9 | Low | 66.3 | Low | 192 Ų | 192 | 162.3 Ų | 162.3 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -156.1 | 46.9 | 160.9 | -151 | 136.3 | -175.8 | 174.3 | 0 | 113.8 | L246 | L246-K248 PolarHBondContact O-N 3.15Š| ||
| 249 | K | 59.9 | Low | 64 | Low | 192 Ų | 192 | 162.1 Ų | 162.1 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -126.2 | 22.8 | 172.5 | -149.3 | -168.7 | 166.8 | -176.8 | 0 | 114.3 | ||||
| 250 | D | 56.4 | Low | 61.4 | Low | 137 Ų | 137 | 161.4 Ų | 161.4 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -115.6 | 46.5 | -176 | -46.4 | -82.5 | 0 | 0 | 0 | 110.4 | ||||
| 251 | K | 57.9 | Low | 59.2 | Low | 185 Ų | 185 | 157 Ų | 157 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -130.1 | 13.5 | -174.8 | -116.5 | 58.4 | 172.2 | 169.4 | 0 | 113.3 | ||
| 252 | F | 50 | Low | 57 | Low | 203 Ų | 203 | 148.9 Ų | 148.9 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -143.3 | 46.2 | -176.8 | -128.1 | -84.8 | 0 | 0 | 0 | 113.1 | ||||
| 253 | M | 52.9 | Low | 54.9 | Low | 193 Ų | 193 | 145.9 Ų | 145.9 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -128.6 | 76.2 | 158.2 | -68.8 | -158.9 | 76.7 | 0 | 0 | 108.4 | ||||
| 254 | G | 41.8 | Very low | 52.9 | Low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -89.7 | 135.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 255 | P | 47.1 | Very low | 51.5 | Low | 126 Ų | 126 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -88.3 | 124.4 | -173.1 | 32.7 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 256 | T | 47.3 | Very low | 50.3 | Low | 149 Ų | 149 | 142.1 Ų | 142.1 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | trans | -166.3 | 143.5 | 161.5 | -75.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 257 | G | 42.1 | Very low | 49 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | 98.2 | 89.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 258 | L | 48.1 | Very low | 48 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | cis | 78.6 | 147.4 | 31.6 | -145.7 | 79.6 | 0 | 0 | 0 | 113.3 | ||||
| 259 | L | 43.5 | Very low | 47.3 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | 74 | 136.4 | -157.3 | -47.9 | 178.2 | 0 | 0 | 0 | 113 | ||||
| 260 | G | 39.8 | Very low | 46.3 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | cis | 159.3 | 127 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 261 | A | 44.5 | Very low | 45.6 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 95% | 0.95 | 84% | 0.835 | S | S | * | * | trans | 62.4 | 156.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 262 | G | 43.1 | Very low | 45.2 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | cis | 155.9 | 140.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 263 | C | 43.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | 63.8 | 116.1 | -176.7 | -133.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 264 | L | 43.6 | Very low | 44.4 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | 53.1 | 91.7 | 65.4 | -64.5 | 177.8 | 0 | 0 | 0 | 114.4 | |||||
| 265 | D | 48 | Very low | 44.4 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -170.9 | 131.5 | 137.6 | -106 | -31.8 | 0 | 0 | 0 | 111 | ||||
| 266 | P | 51.8 | Low | 44.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -123.7 | 103.2 | -178 | 37.4 | -23.2 | 0 | 0 | 0 | 114.8 | ||||
| 267 | M | 45 | Very low | 44.1 | Very low | 195 Ų | 195 | 132 Ų | 132 | 96% | 0.961 | 81% | 0.813 | S | S | * | * | trans | -150.8 | 157.7 | 167.1 | -84.5 | -144.4 | 174.2 | 0 | 0 | 114.7 | ||||
| 268 | K | 46 | Very low | 44 | Very low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | 70.3 | 92.3 | 167.3 | -153 | 164.8 | -172 | 170.3 | 0 | 115.2 | ||||
| 269 | A | 40 | Very low | 43.8 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | 83.3 | 123.4 | 50.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 270 | G | 40.5 | Very low | 44.1 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 138 | 102.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 271 | A | 41.7 | Very low | 44.4 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | 54.7 | 125.4 | 54 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 272 | V | 48.3 | Very low | 44.3 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | cis | -133.4 | 158.7 | 42.5 | -176.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 273 | S | 40.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 153.8 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 274 | H | 47 | Very low | 44.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -146.1 | 158.9 | 133.5 | -153.1 | 68.1 | 0 | 0 | 0 | 112.1 | ||||
| 275 | Q | 40.2 | Very low | 44.4 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -105.4 | 154.9 | -168.2 | -72.5 | -175.8 | -10.7 | 0 | 0 | 114.6 | T277 | Q275-T277 PolarHBondContact O-OG1 3.49Š| ||
| 276 | Q | 41 | Very low | 44.3 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -45 | 129.4 | 158.5 | -177.8 | 176.2 | 39.6 | 0 | 0 | 111.5 | ||||
| 277 | T | 47.1 | Very low | 43.8 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 61% | 0.613 | 82% | 0.819 | S | S | * | * | trans | -145.4 | 130.2 | -176 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | Q275 | Q275-T277 PolarHBondContact O-OG1 3.49Š| ||
| 278 | M | 41.1 | Very low | 43.9 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | 54.9 | 114.2 | 171.8 | -55.9 | -47.3 | 154.8 | 0 | 0 | 121 | ||||
| 279 | Y | 44.3 | Very low | 43.9 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 167.9 | 147.6 | -90.5 | -105.9 | 0 | 0 | 0 | 111.1 | ||||
| 280 | Q | 49.3 | Very low | 43.9 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 86.9 | 130.1 | 143.3 | -168.3 | 169 | 97.4 | 0 | 0 | 119.7 | ||||
| 281 | M | 44.8 | Very low | 44.2 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | 63.1 | 132.9 | 171.6 | -70.7 | -179.4 | -104.1 | 0 | 0 | 116 | ||||
| 282 | A | 44.1 | Very low | 44.9 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | cis | -152.9 | 176 | 19 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 283 | A | 47.6 | Very low | 45 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 58 | 89.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 284 | G | 39.1 | Very low | 45.4 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | 90.4 | 78.4 | 108.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 285 | Y | 45 | Very low | 45.5 | Very low | 232 Ų | 232 | 139.9 Ų | 139.9 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | trans | -136 | 137.4 | 146.5 | -84.2 | -80.5 | 0 | 0 | 0 | 110.4 | ||||
| 286 | P | 47 | Very low | 45.8 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 149 | -171.8 | 32.7 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 287 | M | 41.2 | Very low | 46.4 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 132 | 172.9 | -64.8 | -154.3 | -123.1 | 0 | 0 | 112.1 | ||||
| 288 | M | 46.9 | Very low | 46.7 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -144.4 | 121.8 | 162.3 | -75.5 | -61.2 | 157.7 | 0 | 0 | 112.4 | ||||
| 289 | S | 45 | Very low | 47.3 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 38.4 | 123.3 | 156.9 | -155.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 290 | A | 40.4 | Very low | 47.4 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 150.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 291 | S | 47.5 | Very low | 47.4 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -143.4 | 136.5 | 166.3 | -81.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 292 | P | 56.4 | Low | 47.7 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 142.3 | -170.3 | 29.1 | -35 | 0 | 0 | 0 | 112.9 | N294 | P292-N294 PolarHBondContact O-N 3.34Å; P292-N294 VanDerWaalsContact O-N 3.15Å | ||
| 293 | P | 48.8 | Very low | 48 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -74.8 | 107 | -172.7 | 29.4 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 294 | N | 49.9 | Very low | 48 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -150.4 | 27.8 | 176.6 | -141.6 | 12.8 | 0 | 0 | 0 | 114.4 | P292 | P292-N294 PolarHBondContact O-N 3.34Å; P292-N294 VanDerWaalsContact O-N 3.15Å | ||
| 295 | G | 48.2 | Very low | 47.9 | Very low | 52 Ų | 52 | 130.7 Ų | 130.7 | 54% | 0.536 | 78% | 0.777 | S | S | . | * | trans | -104.5 | -24.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y297 | G295-Y297 VanDerWaalsContact C-N 3.28Å; G295-Y297 PolarHBondContact O-N 3.05Å; G295-Y297 VanDerWaalsContact O-N 3.08Å | ||
| 296 | A | 47.6 | Very low | 47.7 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -68.9 | -12.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q298 | A296-Q298 PolarHBondContact O-N 3.32Š|
| 297 | Y | 53 | Low | 47.7 | Very low | 209 Ų | 209 | 123.6 Ų | 123.6 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -85.2 | 0 | -172.7 | -77.7 | -73.6 | 0 | 0 | 0 | 115.8 | G295 | G295-Y297 VanDerWaalsContact C-N 3.28Å; G295-Y297 PolarHBondContact O-N 3.05Å; G295-Y297 VanDerWaalsContact O-N 3.08Å |
| 298 | Q | 53.8 | Low | 48.2 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.654 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -97.2 | -15.7 | -174.7 | -69.2 | -179.8 | 116.9 | 0 | 0 | 115 | A296 | A296-Q298 PolarHBondContact O-N 3.32Š|
| 299 | I | 53 | Low | 48.6 | Very low | 153 Ų | 153 | 116 Ų | 116 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -85.7 | -28.6 | -175.9 | -64.8 | 175.3 | 0 | 0 | 0 | 112.3 | A301 | I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 3.22Å |
| 300 | A | 47.7 | Very low | 49 | Very low | 87 Ų | 87 | 116 Ų | 116 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -10.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 301 | A | 48.2 | Very low | 49.8 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -6.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I299 | I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 3.22Å |
| 302 | A | 50.3 | Low | 50.2 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -89.1 | -16.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 303 | N | 51.8 | Low | 50.1 | Low | 143 Ų | 143 | 119.5 Ų | 119.5 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -109.1 | 0.7 | -164.2 | -108.8 | 34.7 | 0 | 0 | 0 | 116.1 | ||
| 304 | F | 47.4 | Very low | 50.3 | Low | 189 Ų | 189 | 117.4 Ų | 117.4 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -133.2 | 134.4 | 175.1 | -71.1 | -82.7 | 0 | 0 | 0 | 109.9 | ||
| 305 | G | 36.8 | Very low | 50.7 | Low | 75 Ų | 75 | 112.9 Ų | 112.9 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -76.9 | -176.6 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 306 | A | 41 | Very low | 51 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 88% | 0.884 | 67% | 0.671 | S | S | * | * | trans | 64.8 | 51.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D308 | A306-D308 PolarHBondContact O-N 3.34Å; A306-D308 VanDerWaalsContact O-N 3.12Å | ||
| 307 | A | 46 | Very low | 51.2 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | trans | -68.6 | 102.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 308 | D | 52.9 | Low | 51.3 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 65% | 0.652 | S | S | . | * | trans | -60.1 | 120.3 | 178 | -163.8 | -34.6 | 0 | 0 | 0 | 110.4 | A306 Y310 Q311 | A306-D308 PolarHBondContact O-N 3.34Å; A306-D308 VanDerWaalsContact O-N 3.12Å; D308-Y310 PolarHBondContact O-N 2.95Å; D308-Y310 PolarHBondContact OD1-N 2.99Å; D308-Q311 PolarHBondContact O-N 3.15Å | ||
| 309 | P | 54.7 | Low | 51.5 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.1 | -24.2 | -172.6 | 23.1 | -34.1 | 0 | 0 | 0 | 112.8 | Q311 Q312 Q313 | P309-Q311 PolarHBondContact O-N 3.43Å; P309-Q312 PolarHBondContact O-N 3.13Å; P309-Q313 PolarHBondContact O-N 3.23Å; P309-Q313 VanDerWaalsContact O-N 3.13Å |
| 310 | Y | 54.4 | Low | 51.1 | Low | 117 Ų | 117 | 110.7 Ų | 110.7 | 46% | 0.459 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.7 | -34.7 | 174.1 | -141.8 | -87.6 | 0 | 0 | 0 | 112.5 | D308 M314 | D308-Y310 PolarHBondContact O-N 2.95Å; D308-Y310 PolarHBondContact OD1-N 2.99Å; Y310-M314 HydrophobicContact CD1-CE 4.33Å; Y310-M314 HydrophobicContact CE1-CE 3.88Å; Y310-M314 VanDerWaalsContact O-CG 3.23Å; Y310-M314 WeakPolarHBondContact O-CG 3.48Å; Y310-M314 PolarHBondContact O-N 2.94Å |
| 311 | Q | 56.7 | Low | 51.3 | Low | 148 Ų | 148 | 110.9 Ų | 110.9 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.6 | -32.8 | -177.5 | -169 | 162.6 | -27.1 | 0 | 0 | 112.2 | D308 P309 M314 A315 | D308-Q311 PolarHBondContact O-N 3.15Å; P309-Q311 PolarHBondContact O-N 3.43Å; Q311-M314 PolarHBondContact O-N 2.95Å; Q311-A315 PolarHBondContact O-N 3.49Å |
| 312 | Q | 55 | Low | 51.9 | Low | 148 Ų | 148 | 112 Ų | 112 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.8 | -40.5 | 173.5 | -162.2 | 174 | 21.8 | 0 | 0 | 111.3 | P309 M314 A315 A316 | P309-Q312 PolarHBondContact O-N 3.13Å; Q312-M314 VanDerWaalsContact C-N 3.33Å; Q312-M314 PolarHBondContact O-N 3.19Å; Q312-A315 WeakPolarHBondContact O-CB 3.23Å; Q312-A315 PolarHBondContact O-N 3.06Å; Q312-A316 PolarHBondContact O-N 2.87Å; Q312-A316 VanDerWaalsContact O-N 3.07Å |
| 313 | Q | 54 | Low | 52.4 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63 | -38.4 | 173.3 | -162.5 | -173.7 | 52.7 | 0 | 0 | 112.1 | P309 A315 A316 Y317 | P309-Q313 PolarHBondContact O-N 3.23Å; P309-Q313 VanDerWaalsContact O-N 3.13Å; Q313-A315 VanDerWaalsContact C-N 3.33Å; Q313-A315 PolarHBondContact O-N 3.29Å; Q313-A316 PolarHBondContact O-N 3.49Å; Q313-Y317 HydrophobicContact CG-CD2 4.08Å; Q313-Y317 HydrophobicContact CG-CE2 3.8Å; Q313-Y317 VanDerWaalsContact O-CD2 3.28Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.47Å; Q313-Y317 PolarHBondContact O-N 3.06Å; Q313-Y317 VanDerWaalsContact O-N 3.12Å |
| 314 | M | 53.2 | Low | 52.8 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65 | -33.8 | 174.5 | -73.4 | -72.7 | 162.9 | 0 | 0 | 112.9 | Y310 Q311 Q312 A318 | Y310-M314 HydrophobicContact CD1-CE 4.33Å; Y310-M314 HydrophobicContact CE1-CE 3.88Å; Y310-M314 VanDerWaalsContact O-CG 3.23Å; Y310-M314 WeakPolarHBondContact O-CG 3.48Å; Y310-M314 PolarHBondContact O-N 2.94Å; Q311-M314 PolarHBondContact O-N 2.95Å; Q312-M314 VanDerWaalsContact C-N 3.33Å; Q312-M314 PolarHBondContact O-N 3.19Å; M314-A318 PolarHBondContact O-N 3.35Å |
| 315 | A | 58.6 | Low | 53.4 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.3 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q311 Q312 Q313 A318 | Q311-A315 PolarHBondContact O-N 3.49Å; Q312-A315 WeakPolarHBondContact O-CB 3.23Å; Q312-A315 PolarHBondContact O-N 3.06Å; Q313-A315 VanDerWaalsContact C-N 3.33Å; Q313-A315 PolarHBondContact O-N 3.29Å; A315-A318 WeakPolarHBondContact O-CB 3.42Å; A315-A318 PolarHBondContact O-N 2.97Å |
| 316 | A | 55.7 | Low | 54.5 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q312 Q313 A318 R319 | Q312-A316 PolarHBondContact O-N 2.87Å; Q312-A316 VanDerWaalsContact O-N 3.07Å; Q313-A316 PolarHBondContact O-N 3.49Å; A316-A318 PolarHBondContact O-N 2.79Å; A316-R319 PolarHBondContact O-N 3.36Å |
| 317 | Y | 51.7 | Low | 55.4 | Low | 118 Ų | 118 | 103.4 Ų | 103.4 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -20.1 | 176.4 | -80.6 | -62.2 | 0 | 0 | 0 | 114.5 | R225 Q313 R319 | R225-Y317 VanDerWaalsContact NH1-CE2 3.32Å; R225-Y317 VanDerWaalsContact NH2-CD1 3.29Å; Q313-Y317 HydrophobicContact CG-CD2 4.08Å; Q313-Y317 HydrophobicContact CG-CE2 3.8Å; Q313-Y317 VanDerWaalsContact O-CD2 3.28Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.47Å; Q313-Y317 PolarHBondContact O-N 3.06Å; Q313-Y317 VanDerWaalsContact O-N 3.12Å; Y317-R319 VanDerWaalsContact C-N 3.27Å |
| 318 | A | 55 | Low | 55.9 | Low | 83 Ų | 83 | 105.9 Ų | 105.9 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M314 A315 A316 | M314-A318 PolarHBondContact O-N 3.35Å; A315-A318 WeakPolarHBondContact O-CB 3.42Å; A315-A318 PolarHBondContact O-N 2.97Å; A316-A318 PolarHBondContact O-N 2.79Å |
| 319 | R | 57.2 | Low | 56.2 | Low | 193 Ų | 193 | 107.9 Ų | 107.9 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 13.1 | -177.2 | -65.7 | -68.8 | -176.2 | 161.9 | 0.9 | 113.8 | A316 Y317 D321 | A316-R319 PolarHBondContact O-N 3.36Å; Y317-R319 VanDerWaalsContact C-N 3.27Å; R319-D321 PolarHBondContact O-N 3.06Å |
| 320 | Y | 45.8 | Very low | 56.2 | Low | 140 Ų | 140 | 110.4 Ų | 110.4 | 55% | 0.549 | 58% | 0.577 | S | S | . | * | trans | -72 | 94.7 | -177.9 | -144.6 | -97.2 | 0 | 0 | 0 | 111.3 | M325 | Y320-M325 HydrophobicContact CE1-CB 3.94Å; Y320-M325 HydrophobicContact CE1-CE 4.44Å; Y320-M325 HydrophobicContact CE1-CG 4.11Å; Y320-M325 HydrophobicContact CE1-SD 3.76Å; Y320-M325 WeakPolarHBondContact OH-CG 3.38Å | ||
| 321 | D | 50.8 | Low | 56.2 | Low | 90 Ų | 90 | 113 Ų | 113 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | trans | -81.9 | 129.3 | 174.1 | -165.7 | -52.1 | 0 | 0 | 0 | 109.5 | R319 M323 A324 | R319-D321 PolarHBondContact O-N 3.06Å; D321-M323 PolarHBondContact O-N 3.4Å; D321-M323 VanDerWaalsContact O-N 3.16Å; D321-M323 WeakPolarHBondContact OD1-CB 3.23Å; D321-M323 PolarHBondContact OD1-N 2.96Å; D321-A324 HydrophobicContact CB-CB 4.47Å; D321-A324 WeakPolarHBondContact O-CB 3.23Å; D321-A324 PolarHBondContact O-N 3.02Å | ||
| 322 | P | 61.2 | Low | 56 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 69% | 0.688 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57.2 | -28.2 | 177 | 24.1 | -34.5 | 0 | 0 | 0 | 113.2 | A324 M325 A326 | P322-A324 VanDerWaalsContact C-N 3.3Å; P322-A324 PolarHBondContact O-N 3.09Å; P322-M325 PolarHBondContact O-N 3.22Å; P322-A326 PolarHBondContact O-N 3.06Å |
| 323 | M | 60.2 | Low | 55.7 | Low | 147 Ų | 147 | 111.5 Ų | 111.5 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -33.1 | 177.5 | -157.7 | 69.1 | 178.6 | 0 | 0 | 112.2 | D321 A326 A327 | D321-M323 PolarHBondContact O-N 3.4Å; D321-M323 VanDerWaalsContact O-N 3.16Å; D321-M323 WeakPolarHBondContact OD1-CB 3.23Å; D321-M323 PolarHBondContact OD1-N 2.96Å; M323-A326 PolarHBondContact O-N 3.34Å; M323-A327 WeakPolarHBondContact O-CB 3.23Å; M323-A327 PolarHBondContact O-N 3.13Å |
| 324 | A | 60.8 | Low | 54.9 | Low | 61 Ų | 61 | 110.3 Ų | 110.3 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.3 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D321 P322 M328 | D321-A324 HydrophobicContact CB-CB 4.47Å; D321-A324 WeakPolarHBondContact O-CB 3.23Å; D321-A324 PolarHBondContact O-N 3.02Å; P322-A324 VanDerWaalsContact C-N 3.3Å; P322-A324 PolarHBondContact O-N 3.09Å; A324-M328 PolarHBondContact O-N 2.94Å; A324-M328 VanDerWaalsContact O-N 3.13Å |
| 325 | M | 59.7 | Low | 54.3 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.2 | -37.5 | 176.1 | -158.7 | 177.7 | -156 | 0 | 0 | 111.6 | Y320 P322 M328 Q329 | Y320-M325 HydrophobicContact CE1-CB 3.94Å; Y320-M325 HydrophobicContact CE1-CE 4.44Å; Y320-M325 HydrophobicContact CE1-CG 4.11Å; Y320-M325 HydrophobicContact CE1-SD 3.76Å; Y320-M325 WeakPolarHBondContact OH-CG 3.38Å; P322-M325 PolarHBondContact O-N 3.22Å; M325-M328 PolarHBondContact O-N 2.78Å; M325-Q329 PolarHBondContact O-N 2.88Å; M325-Q329 VanDerWaalsContact O-N 3.11Å |
| 326 | A | 60.9 | Low | 53.4 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 45% | 0.446 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.2 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P322 M323 M328 Q329 H330 | P322-A326 PolarHBondContact O-N 3.06Å; M323-A326 PolarHBondContact O-N 3.34Å; A326-M328 VanDerWaalsContact C-N 3.28Å; A326-M328 PolarHBondContact O-N 3.14Å; A326-Q329 PolarHBondContact O-N 3Å; A326-H330 PolarHBondContact O-N 2.97Å |
| 327 | A | 58.3 | Low | 52.7 | Low | 61 Ų | 61 | 117.1 Ų | 117.1 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -59.4 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | M323 H330 M331 | M323-A327 WeakPolarHBondContact O-CB 3.23Å; M323-A327 PolarHBondContact O-N 3.13Å; A327-H330 PolarHBondContact O-N 3.42Å; A327-M331 PolarHBondContact O-N 2.91Å |
| 328 | M | 58.3 | Low | 52.4 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 72% | 0.719 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.7 | -34.7 | 178.2 | -163 | 171.9 | -172.4 | 0 | 0 | 112.9 | A324 M325 A326 | A324-M328 PolarHBondContact O-N 2.94Å; A324-M328 VanDerWaalsContact O-N 3.13Å; M325-M328 PolarHBondContact O-N 2.78Å; A326-M328 VanDerWaalsContact C-N 3.28Å; A326-M328 PolarHBondContact O-N 3.14Å |
| 329 | Q | 57.8 | Low | 52.1 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.7 | -39.7 | 171.3 | -74 | -168.6 | -14 | 0 | 0 | 112.1 | M325 A326 M331 Q332 S333 | M325-Q329 PolarHBondContact O-N 2.88Å; M325-Q329 VanDerWaalsContact O-N 3.11Å; A326-Q329 PolarHBondContact O-N 3Å; Q329-M331 PolarHBondContact O-N 2.63Å; Q329-Q332 PolarHBondContact O-N 2.79Å; Q329-S333 PolarHBondContact O-N 3.08Å |
| 330 | H | 55.6 | Low | 51.4 | Low | 151 Ų | 151 | 116.5 Ų | 116.5 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.7 | -16.5 | -178.2 | -154.7 | -56.4 | 0 | 0 | 0 | 113.9 | A326 A327 | A326-H330 PolarHBondContact O-N 2.97Å; A327-H330 PolarHBondContact O-N 3.42Å |
| 331 | M | 53.3 | Low | 51.3 | Low | 171 Ų | 171 | 115 Ų | 115 | 84% | 0.842 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -13.6 | 168.3 | -74.3 | -154.8 | 75.1 | 0 | 0 | 114.1 | A327 Q329 | A327-M331 PolarHBondContact O-N 2.91Å; Q329-M331 PolarHBondContact O-N 2.63Å |
| 332 | Q | 53.3 | Low | 51 | Low | 182 Ų | 182 | 115.9 Ų | 115.9 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -6.3 | -175.5 | -160.6 | 154.9 | 54.3 | 0 | 0 | 113.7 | Q329 | Q329-Q332 PolarHBondContact O-N 2.79Š|
| 333 | S | 49 | Very low | 50 | Low | 83 Ų | 83 | 120.7 Ų | 120.7 | 58% | 0.58 | 71% | 0.705 | S | S | * | * | trans | -104.6 | 26 | 174.7 | 61 | 0 | 0 | 0 | 0 | 113.4 | Q329 A335 | Q329-S333 PolarHBondContact O-N 3.08Å; S333-A335 PolarHBondContact O-N 3.4Å | ||
| 334 | G | 37.3 | Very low | 49.2 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -75.3 | 47.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 335 | A | 39 | Very low | 48.3 | Very low | 76 Ų | 76 | 126 Ų | 126 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | trans | -153.3 | 151.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S333 | S333-A335 PolarHBondContact O-N 3.4Š| ||
| 336 | Q | 40.3 | Very low | 47.4 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 83.4 | 119.1 | 175.7 | -46.9 | -55.6 | -17.3 | 0 | 0 | 118.8 | ||
| 337 | A | 40.9 | Very low | 46.4 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 61.7 | 105.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 338 | V | 46.2 | Very low | 45.4 | Very low | 141 Ų | 141 | 132 Ų | 132 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 163.6 | 151.7 | -76.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 339 | P | 49.2 | Very low | 44.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -128.9 | 175.6 | -20.7 | 36.2 | -20.7 | 0 | 0 | 0 | 113.2 | ||||
| 340 | S | 41.2 | Very low | 43.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -170.4 | 156 | 138.8 | -91 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 341 | S | 43.7 | Very low | 43.1 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 88.3 | 88.6 | 161.6 | -145 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 342 | V | 44.9 | Very low | 42.6 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.655 | 79% | 0.785 | S | S | * | * | trans | 24.3 | 123.7 | 131.8 | -146.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 343 | Y | 40.7 | Very low | 42.1 | Very low | 206 Ų | 206 | 128.8 Ų | 128.8 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | 177.5 | 130.3 | 103.9 | -98.5 | -71.8 | 0 | 0 | 0 | 116.2 | |||||
| 344 | L | 43.1 | Very low | 41.7 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -16.8 | 132.4 | 166.4 | -66.8 | 158.5 | 0 | 0 | 0 | 120.8 | ||||
| 345 | N | 41.1 | Very low | 41.9 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | -167.1 | 139.2 | 116.8 | -143.9 | -65.2 | 0 | 0 | 0 | 114.7 | |||||
| 346 | G | 40.7 | Very low | 42.1 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 70 | 151.8 | 160 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 347 | S | 40.5 | Very low | 42.1 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | -155 | 150.6 | -19.2 | -167.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 348 | L | 37.4 | Very low | 42 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -28.5 | 128.8 | 178.3 | -63.5 | 152.8 | 0 | 0 | 0 | 117.8 | ||||
| 349 | T | 44 | Very low | 41.7 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | -165.7 | 142.6 | 129.1 | 8.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 350 | S | 41.4 | Very low | 41.2 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 24.2 | 114.1 | 165.7 | -55.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 351 | A | 38.9 | Very low | 41 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 161.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 352 | Y | 42.4 | Very low | 40.8 | Very low | 229 Ų | 229 | 129.8 Ų | 129.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -162 | 146.5 | 131.7 | -87.1 | -60 | 0 | 0 | 0 | 111.4 | ||||
| 353 | H | 43.2 | Very low | 40.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -16.1 | 161.6 | 169.3 | -83 | -132.2 | 0 | 0 | 0 | 122.1 | ||||
| 354 | Q | 40.6 | Very low | 39.9 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | cis | -174.7 | 142.5 | -15.5 | 165.3 | 169.2 | 47.3 | 0 | 0 | 112 | ||||
| 355 | S | 40.7 | Very low | 39.7 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 50.7 | 135 | 155.7 | 74.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 356 | S | 44.1 | Very low | 39.5 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 114.9 | 145.9 | 129.4 | 75.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 357 | A | 40.6 | Very low | 39.2 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | cis | -171.4 | 152.8 | -29.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 358 | G | 38.4 | Very low | 39 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 88.4 | 113.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 359 | A | 38.4 | Very low | 39 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | cis | 97 | 69.2 | 5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 360 | Y | 39.3 | Very low | 39 | Very low | 234 Ų | 234 | 119.7 Ų | 119.7 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 150.8 | 139.7 | 55.2 | -88.1 | 0 | 0 | 0 | 106.7 | ||||
| 361 | G | 38 | Very low | 38.8 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | 125.1 | 115 | 15.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 362 | G | 38.5 | Very low | 38.7 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | cis | -155.1 | -160.3 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 363 | L | 33.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 116.7 Ų | 116.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 163 | -171.8 | -68.8 | 109.9 | 0 | 0 | 0 | 114.8 | ||||
| 364 | S | 34.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 76.9 | 109.7 | 137.9 | 173.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 365 | C | 37.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 86% | 0.858 | 81% | 0.808 | S | S | * | * | trans | -175.8 | 166.1 | 131.7 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 366 | A | 37.7 | Very low | 39.1 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | cis | -161.5 | 130.1 | -35.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 367 | A | 34.2 | Very low | 38.8 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | 70.2 | 130.4 | 96.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 368 | G | 34.9 | Very low | 39.4 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 95 | 133.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 369 | A | 37.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | cis | 72.1 | 148.9 | 14.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 370 | P | 44.7 | Very low | 39.9 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | cis | -142.2 | -167.1 | 4.2 | 35.7 | -11 | 0 | 0 | 0 | 116.6 | ||||
| 371 | I | 36.3 | Very low | 40 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 62 | 129.9 | 152.5 | 62.5 | 170.2 | 0 | 0 | 0 | 126 | ||||
| 372 | S | 37.6 | Very low | 40.2 | Very low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | 89.8 | 160.9 | 132.9 | -147.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 373 | A | 40 | Very low | 40.3 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | 84.7 | 114.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 374 | N | 37.6 | Very low | 40.8 | Very low | 153 Ų | 153 | 118 Ų | 118 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 151.9 | 156 | -74.5 | 4.1 | 0 | 0 | 0 | 110.9 | ||
| 375 | P | 58.5 | Low | 41 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 152.5 | 154.8 | 27.5 | -16.2 | 0 | 0 | 0 | 112.5 | ||
| 376 | Y | 39.9 | Very low | 41.4 | Very low | 231 Ų | 231 | 121.2 Ų | 121.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97 | 136 | -179.3 | -80.4 | -115.5 | 0 | 0 | 0 | 113.2 | ||
| 377 | G | 37.7 | Very low | 41.3 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 63.1 | -174.1 | 131.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 378 | P | 53 | Low | 41.9 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -130.8 | -161.6 | -12.3 | 40 | -21.9 | 0 | 0 | 0 | 113.6 | ||||
| 379 | T | 45.2 | Very low | 41.9 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 74.1 | 144.4 | 176 | 77.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 380 | G | 41.9 | Very low | 42.1 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | cis | 174 | 158.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 381 | G | 40.5 | Very low | 41.7 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 122.2 | 95.3 | 168 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 382 | S | 42.6 | Very low | 41.9 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -51.1 | 149.8 | 171.8 | 50.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 383 | G | 39.8 | Very low | 42.2 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -174.4 | 79.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 384 | Q | 45.5 | Very low | 42.1 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 44.3 | 138.3 | 154.3 | -73.3 | -68.5 | 7.6 | 0 | 0 | 123.9 | ||||
| 385 | L | 38.6 | Very low | 42.5 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -66.1 | 147.5 | 168.3 | -57.5 | 93.7 | 0 | 0 | 0 | 113.2 | ||||
| 386 | I | 45.3 | Very low | 41.4 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | -142.6 | 139.9 | 119.7 | -59.2 | -170.2 | 0 | 0 | 0 | 108.1 | |||||
| 387 | K | 34.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 128.7 | 172.6 | 177.8 | -178.4 | 174.6 | -174 | 0 | 109.3 | ||||
| 388 | S | 48 | Very low | 41.4 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -142.5 | 154.9 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | E | 33.7 | Very low | 40.7 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -107.5 | 133.8 | -158.2 | -64.2 | 171.3 | 120.1 | 0 | 0 | 112.8 | ||||
| 390 | G | 43 | Very low | 40.3 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 85.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S392 | G390-S392 PolarHBondContact O-N 2.92Š| ||
| 391 | N | 35.5 | Very low | 39.7 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -55.6 | 125.5 | -175.1 | -176.8 | 22.6 | 0 | 0 | 0 | 113.1 | ||||
| 392 | S | 40.6 | Very low | 39.4 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -125.4 | 115.5 | 172.7 | -71.9 | 0 | 0 | 0 | 0 | 110 | G390 Q394 | G390-S392 PolarHBondContact O-N 2.92Å; S392-Q394 PolarHBondContact O-N 3.44Å | ||
| 393 | P | 43.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -77.1 | 116.7 | -174.8 | 29.3 | -33.7 | 0 | 0 | 0 | 112 | ||||
| 394 | Q | 37.9 | Very low | 38.4 | Very low | 182 Ų | 182 | 123 Ų | 123 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 136 | 161.7 | -82 | -157.2 | -27.4 | 0 | 0 | 110.9 | S392 G396 | S392-Q394 PolarHBondContact O-N 3.44Å; Q394-G396 PolarHBondContact O-N 3.39Å | ||
| 395 | P | 46.5 | Very low | 38.4 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 86.9 | 170.1 | 31.8 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 396 | G | 36.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -74.3 | 130.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q394 | Q394-G396 PolarHBondContact O-N 3.39Š| ||
| 397 | A | 36.1 | Very low | 39.3 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -10.2 | 134.3 | 172 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 398 | T | 39.9 | Very low | 41.2 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 145 | 135.3 | -69.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 399 | V | 39.8 | Very low | 42.9 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -90.7 | 134.8 | -173.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 400 | G | 36.6 | Very low | 45.4 | Very low | 72 Ų | 72 | 110.6 Ų | 110.6 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -160.6 | 134.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 401 | G | 29.3 | Very low | 47.3 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 94% | 0.938 | 71% | 0.712 | S | S | * | * | trans | -78.5 | 133.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 402 | G | 33.1 | Very low | 49.8 | Very low | 76 Ų | 76 | 105.8 Ų | 105.8 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | trans | -171.5 | 107.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G404 | G402-G404 PolarHBondContact O-N 2.93Å; G402-G404 VanDerWaalsContact O-N 3.1Å | ||
| 403 | G | 30.6 | Very low | 51.9 | Low | 86 Ų | 86 | 101 Ų | 101 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | trans | -72.2 | 100.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 404 | G | 32.1 | Very low | 53.7 | Low | 71 Ų | 71 | 97.6 Ų | 97.6 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | trans | 52.2 | 80 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | G402 | G402-G404 PolarHBondContact O-N 2.93Å; G402-G404 VanDerWaalsContact O-N 3.1Å | ||
| 405 | R | 43.9 | Very low | 55.7 | Low | 233 Ų | 233 | 94.1 Ų | 94.1 | 88% | 0.879 | 61% | 0.612 | S | S | * | * | trans | -124.5 | 109.8 | 152.3 | -67.2 | -167.8 | -178.7 | -144.4 | -0.8 | 109.7 | ||||
| 406 | R | 46.5 | Very low | 56.8 | Low | 235 Ų | 235 | 94.2 Ų | 94.2 | 89% | 0.887 | 60% | 0.596 | S | S | * | * | trans | -85.9 | 113.5 | -178.3 | -65.2 | 175.6 | 179.2 | 133.7 | -1.8 | 109.5 | ||||
| 407 | N | 56.3 | Low | 58.4 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | trans | 52.8 | 62.8 | 162.1 | -50.3 | -9 | 0 | 0 | 0 | 114.3 | R223 I409 | R223-N407 PolarHBondContact NH2-O 3.35Å; N407-I409 PolarHBondContact O-N 2.84Å | ||
| 408 | D | 75.6 | Confident | 59.4 | Low | 71 Ų | 71 | 92.4 Ų | 92.4 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | trans | -64.1 | 131.4 | 167.7 | -163.5 | -57.3 | 0 | 0 | 0 | 108.5 | T410 D411 F412 | D408-T410 PolarHBondContact O-N 2.73Å; D408-T410 VanDerWaalsContact O-N 3.08Å; D408-T410 WeakPolarHBondContact OD1-CB 3.22Å; D408-T410 PolarHBondContact OD1-N 2.74Å; D408-T410 PolarHBondContact OD1-OG1 3.07Å; D408-D411 WeakPolarHBondContact O-CB 3.23Å; D408-D411 PolarHBondContact O-N 3.33Å; D408-F412 PolarHBondContact O-N 3.07Å | ||
| 409 | I | 83.4 | Confident | 59.8 | Low | 20 Ų | 20 | 89 Ų | 89 | 10% | 0.103 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -55 | -27.1 | 175.5 | -169.4 | -167.3 | 0 | 0 | 0 | 112.2 | M172 V177 L224 N407 D411 F412 I413 | M172-I409 HydrophobicContact CE-CD1 3.15Å; V177-I409 HydrophobicContact CB-CD1 4.37Å; V177-I409 HydrophobicContact CG1-CD1 4.07Å; V177-I409 HydrophobicContact CG1-CG1 4.19Å; V177-I409 HydrophobicContact CG2-CD1 4.05Å; L224-I409 HydrophobicContact CD1-CD1 3.59Å; L224-I409 HydrophobicContact CD1-CG1 3.97Å; L224-I409 HydrophobicContact CD2-CB 4.43Å; N407-I409 PolarHBondContact O-N 2.84Å; I409-D411 VanDerWaalsContact C-N 3.27Å; I409-D411 PolarHBondContact O-N 3.21Å; I409-F412 PolarHBondContact O-N 3.43Å; I409-I413 HydrophobicContact CD1-CD1 4.17Å; I409-I413 HydrophobicContact CG1-CD1 3.98Å; I409-I413 HydrophobicContact CG1-CG1 4.42Å; I409-I413 WeakPolarHBondContact O-CB 3.44Å; I409-I413 WeakPolarHBondContact O-CD1 3.5Å; I409-I413 VanDerWaalsContact O-CG1 3.23Å; I409-I413 WeakPolarHBondContact O-CG1 3.41Å; I409-I413 PolarHBondContact O-N 3.39Å |
| 410 | T | 85.3 | Confident | 59.9 | Low | 37 Ų | 37 | 83.2 Ų | 83.2 | 23% | 0.227 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.9 | -47.5 | 0 | 0 | 0 | 0 | 110.7 | R180 D408 I413 N414 | R180-T410 PolarHBondContact NH2-OG1 3.05Å; D408-T410 PolarHBondContact O-N 2.73Å; D408-T410 VanDerWaalsContact O-N 3.08Å; D408-T410 WeakPolarHBondContact OD1-CB 3.22Å; D408-T410 PolarHBondContact OD1-N 2.74Å; D408-T410 PolarHBondContact OD1-OG1 3.07Å; T410-I413 PolarHBondContact O-N 3.19Å; T410-N414 WeakPolarHBondContact O-CB 3.4Å; T410-N414 PolarHBondContact O-N 3.2Å; T410-N414 PolarHBondContact O-ND2 3.37Å; T410-N414 VanDerWaalsContact O-ND2 3.13Å; T410-N414 PolarHBondContact O-OD1 3.44Å |
| 411 | D | 83.2 | Confident | 60.5 | Low | 90 Ų | 90 | 82.2 Ų | 82.2 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.5 | -44.4 | 177.9 | -53.9 | -35.1 | 0 | 0 | 0 | 110.6 | D408 I409 I413 N414 V415 | D408-D411 WeakPolarHBondContact O-CB 3.23Å; D408-D411 PolarHBondContact O-N 3.33Å; I409-D411 VanDerWaalsContact C-N 3.27Å; I409-D411 PolarHBondContact O-N 3.21Å; D411-I413 VanDerWaalsContact C-N 3.3Å; D411-I413 PolarHBondContact O-N 3.47Å; D411-N414 CarbonylContact O-C 3.59Å; D411-N414 PolarHBondContact O-N 3.12Å; D411-V415 WeakPolarHBondContact O-CG2 3.46Å; D411-V415 PolarHBondContact O-N 3.18Å |
| 412 | F | 87.6 | Confident | 61.5 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 15% | 0.154 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -54.2 | -46.2 | 172 | 172.6 | -86.3 | 0 | 0 | 0 | 111.8 | V177 P216 F217 E220 D408 I409 N414 V415 Y416 | V177-F412 HydrophobicContact CG1-CD1 4Å; V177-F412 HydrophobicContact CG1-CE1 3.82Å; P216-F412 HydrophobicContact CB-CZ 4.17Å; P216-F412 WeakPolarHBondContact O-CZ 3.14Å; F217-F412 AromaticContact CD1-CE1 3.75Å; F217-F412 HydrophobicContact CD1-CE1 3.75Å; F217-F412 HydrophobicContact CD1-CZ 4.25Å; F217-F412 AromaticContact CE1-CE1 3.87Å; F217-F412 HydrophobicContact CE1-CE1 3.87Å; F217-F412 HydrophobicContact CE1-CZ 4.36Å; E220-F412 HydrophobicContact CB-CD1 4.16Å; E220-F412 HydrophobicContact CB-CD2 4.17Å; E220-F412 HydrophobicContact CB-CE1 3.78Å; E220-F412 HydrophobicContact CB-CE2 3.77Å; E220-F412 HydrophobicContact CB-CG 4.37Å; E220-F412 HydrophobicContact CB-CZ 3.58Å; E220-F412 HydrophobicContact CG-CD1 3.73Å; E220-F412 HydrophobicContact CG-CD2 4.14Å; E220-F412 HydrophobicContact CG-CE1 3.84Å; E220-F412 HydrophobicContact CG-CE2 4.23Å; E220-F412 HydrophobicContact CG-CG 3.91Å; E220-F412 HydrophobicContact CG-CZ 4.1Å; D408-F412 PolarHBondContact O-N 3.07Å; I409-F412 PolarHBondContact O-N 3.43Å; F412-N414 VanDerWaalsContact C-N 3.35Å; F412-N414 PolarHBondContact O-N 3.23Å; F412-V415 PolarHBondContact O-N 2.94Å; F412-Y416 HydrophobicContact CD1-CD2 4.5Å; F412-Y416 AromaticContact CD2-CD2 3.6Å; F412-Y416 HydrophobicContact CD2-CD2 3.6Å; F412-Y416 AromaticContact CD2-CE2 3.71Å; F412-Y416 HydrophobicContact CD2-CE2 3.71Å; F412-Y416 HydrophobicContact CE1-CD2 4.25Å; F412-Y416 AromaticContact CE2-CD2 3.3Å; F412-Y416 HydrophobicContact CE2-CD2 3.3Å; F412-Y416 AromaticContact CE2-CE2 3.34Å; F412-Y416 HydrophobicContact CE2-CE2 3.34Å; F412-Y416 HydrophobicContact CE2-CG 4.19Å; F412-Y416 HydrophobicContact CG-CD2 4.19Å; F412-Y416 AromaticContact CZ-CD2 3.65Å; F412-Y416 HydrophobicContact CZ-CD2 3.65Å; F412-Y416 HydrophobicContact CZ-CE2 4.08Å; F412-Y416 HydrophobicContact CZ-CG 4.12Å; F412-Y416 PolarHBondContact O-N 3.19Å |
| 413 | I | 85.1 | Confident | 62.5 | Low | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.015 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 176.7 | -69.3 | 161.4 | 0 | 0 | 0 | 111.2 | V177 R180 I409 T410 D411 V415 L417 | V177-I413 HydrophobicContact CG1-CG1 4.32Å; V177-I413 WeakPolarHBondContact O-CD1 3.4Å; R180-I413 HydrophobicContact CB-CD1 3.88Å; R180-I413 HydrophobicContact CG-CD1 3.97Å; I409-I413 HydrophobicContact CD1-CD1 4.17Å; I409-I413 HydrophobicContact CG1-CD1 3.98Å; I409-I413 HydrophobicContact CG1-CG1 4.42Å; I409-I413 WeakPolarHBondContact O-CB 3.44Å; I409-I413 WeakPolarHBondContact O-CD1 3.5Å; I409-I413 VanDerWaalsContact O-CG1 3.23Å; I409-I413 WeakPolarHBondContact O-CG1 3.41Å; I409-I413 PolarHBondContact O-N 3.39Å; T410-I413 PolarHBondContact O-N 3.19Å; D411-I413 VanDerWaalsContact C-N 3.3Å; D411-I413 PolarHBondContact O-N 3.47Å; I413-V415 VanDerWaalsContact C-N 3.34Å; I413-L417 HydrophobicContact CG2-CB 4.33Å; I413-L417 HydrophobicContact CG2-CD2 4.46Å; I413-L417 WeakPolarHBondContact O-CA 3.36Å; I413-L417 WeakPolarHBondContact O-CB 3.24Å; I413-L417 PolarHBondContact O-N 3.47Å |
| 414 | N | 82.4 | Confident | 63.9 | Low | 46 Ų | 46 | 82.8 Ų | 82.8 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.3 | -32.1 | 177.1 | -67.4 | -24.8 | 0 | 0 | 0 | 112.1 | R184 T410 D411 F412 Q418 | R184-N414 PolarHBondContact NH1-OD1 3.12Å; R184-N414 VanDerWaalsContact NH1-OD1 3.08Å; R184-N414 PolarHBondContact NH2-OD1 3.48Å; T410-N414 WeakPolarHBondContact O-CB 3.4Å; T410-N414 PolarHBondContact O-N 3.2Å; T410-N414 PolarHBondContact O-ND2 3.37Å; T410-N414 VanDerWaalsContact O-ND2 3.13Å; T410-N414 PolarHBondContact O-OD1 3.44Å; D411-N414 CarbonylContact O-C 3.59Å; D411-N414 PolarHBondContact O-N 3.12Å; F412-N414 VanDerWaalsContact C-N 3.35Å; F412-N414 PolarHBondContact O-N 3.23Å; N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-NE2 3.31Å |
| 415 | V | 79.8 | Confident | 65.2 | Low | 110 Ų | 110 | 85.3 Ų | 85.3 | 67% | 0.667 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.3 | -51.5 | 176.8 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | D411 F412 I413 | D411-V415 WeakPolarHBondContact O-CG2 3.46Å; D411-V415 PolarHBondContact O-N 3.18Å; F412-V415 PolarHBondContact O-N 2.94Å; I413-V415 VanDerWaalsContact C-N 3.34Å |
| 416 | Y | 69.7 | Low | 66.2 | Low | 136 Ų | 136 | 80.5 Ų | 80.5 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -85.8 | -14.1 | -172.4 | -79.5 | -83.2 | 0 | 0 | 0 | 115.2 | P216 F412 | P216-Y416 HydrophobicContact CB-CD1 4.01Å; P216-Y416 HydrophobicContact CB-CE1 3.95Å; P216-Y416 HydrophobicContact CG-CD1 4.39Å; F412-Y416 HydrophobicContact CD1-CD2 4.5Å; F412-Y416 AromaticContact CD2-CD2 3.6Å; F412-Y416 HydrophobicContact CD2-CD2 3.6Å; F412-Y416 AromaticContact CD2-CE2 3.71Å; F412-Y416 HydrophobicContact CD2-CE2 3.71Å; F412-Y416 HydrophobicContact CE1-CD2 4.25Å; F412-Y416 AromaticContact CE2-CD2 3.3Å; F412-Y416 HydrophobicContact CE2-CD2 3.3Å; F412-Y416 AromaticContact CE2-CE2 3.34Å; F412-Y416 HydrophobicContact CE2-CE2 3.34Å; F412-Y416 HydrophobicContact CE2-CG 4.19Å; F412-Y416 HydrophobicContact CG-CD2 4.19Å; F412-Y416 AromaticContact CZ-CD2 3.65Å; F412-Y416 HydrophobicContact CZ-CD2 3.65Å; F412-Y416 HydrophobicContact CZ-CE2 4.08Å; F412-Y416 HydrophobicContact CZ-CG 4.12Å; F412-Y416 PolarHBondContact O-N 3.19Å |
| 417 | L | 69.3 | Low | 67.2 | Low | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.12 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -121.5 | 16.5 | -170 | -132.4 | 74.9 | 0 | 0 | 0 | 114.7 | W178 Q182 F217 I413 P419 | W178-L417 VanDerWaalsContact O-CD2 3.26Å; W178-L417 WeakPolarHBondContact O-CD2 3.49Å; Q182-L417 HydrophobicContact CG-CD2 3.82Å; F217-L417 HydrophobicContact CE1-CD1 3.71Å; F217-L417 HydrophobicContact CE2-CD1 4.28Å; F217-L417 HydrophobicContact CZ-CD1 3.35Å; I413-L417 HydrophobicContact CG2-CB 4.33Å; I413-L417 HydrophobicContact CG2-CD2 4.46Å; I413-L417 WeakPolarHBondContact O-CA 3.36Å; I413-L417 WeakPolarHBondContact O-CB 3.24Å; I413-L417 PolarHBondContact O-N 3.47Å; L417-P419 WeakPolarHBondContact O-CD 3.43Å |
| 418 | Q | 58.1 | Low | 68 | Low | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | trans | -105.7 | 94.8 | 165.5 | -71 | -172.9 | 98.1 | 0 | 0 | 110 | N414 | N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-NE2 3.31Å | ||
| 419 | P | 49 | Very low | 68.1 | Low | 74 Ų | 74 | 78.4 Ų | 78.4 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -54.2 | 136.5 | 137.8 | 30.5 | -33.7 | 0 | 0 | 0 | 106.3 | L417 A421 | L417-P419 WeakPolarHBondContact O-CD 3.43Å; P419-A421 PolarHBondContact O-N 2.96Å |
| 420 | G | 40.1 | Very low | 67.8 | Low | 27 Ų | 27 | 85.2 Ų | 85.2 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | trans | -53.4 | 133.6 | -151.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A422 E423 T424 | G420-A422 PolarHBondContact O-N 2.91Å; G420-E423 PolarHBondContact N-OE2 3.47Å; G420-E423 WeakPolarHBondContact O-CB 3.28Å; G420-E423 PolarHBondContact O-N 2.84Å; G420-T424 PolarHBondContact O-N 2.65Å; G420-T424 PolarHBondContact O-OG1 3.32Å | ||
| 421 | A | 50.1 | Low | 67.2 | Low | 51 Ų | 51 | 88 Ų | 88 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.7 | -36.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P419 Q425 | P419-A421 PolarHBondContact O-N 2.96Å; A421-Q425 VanDerWaalsContact O-CB 3.3Å; A421-Q425 WeakPolarHBondContact O-CB 3.4Å; A421-Q425 WeakPolarHBondContact O-CG 3.4Å; A421-Q425 PolarHBondContact O-N 3.36Å |
| 422 | A | 49.2 | Very low | 67.2 | Low | 71 Ų | 71 | 87.2 Ų | 87.2 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.5 | -46.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G420 Q425 Q426 | G420-A422 PolarHBondContact O-N 2.91Å; A422-Q425 CarbonylContact O-C 3.59Å; A422-Q425 PolarHBondContact O-N 3.14Å; A422-Q426 WeakPolarHBondContact O-CB 3.41Å; A422-Q426 PolarHBondContact O-N 2.94Å |
| 423 | E | 55.1 | Low | 67.1 | Low | 122 Ų | 122 | 90.7 Ų | 90.7 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66 | -39.8 | 179.4 | -174 | -179.3 | -155.4 | 0 | 0 | 112.1 | G420 Q426 K427 | G420-E423 PolarHBondContact N-OE2 3.47Å; G420-E423 WeakPolarHBondContact O-CB 3.28Å; G420-E423 PolarHBondContact O-N 2.84Å; E423-Q426 PolarHBondContact O-N 2.84Å; E423-K427 WeakPolarHBondContact O-CB 3.22Å; E423-K427 PolarHBondContact O-N 3Å |
| 424 | T | 60 | Low | 66.9 | Low | 71 Ų | 71 | 93 Ų | 93 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | G420 K427 L428 | G420-T424 PolarHBondContact O-N 2.65Å; G420-T424 PolarHBondContact O-OG1 3.32Å; T424-K427 PolarHBondContact O-N 3.12Å; T424-L428 HydrophobicContact CG2-CD1 4.35Å; T424-L428 WeakPolarHBondContact O-CG 3.33Å; T424-L428 PolarHBondContact O-N 3Å |
| 425 | Q | 59.6 | Low | 66.6 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -37.7 | 174.1 | -79.5 | -174.7 | -19.4 | 0 | 0 | 112.5 | A421 A422 L428 Q429 | A421-Q425 VanDerWaalsContact O-CB 3.3Å; A421-Q425 WeakPolarHBondContact O-CB 3.4Å; A421-Q425 WeakPolarHBondContact O-CG 3.4Å; A421-Q425 PolarHBondContact O-N 3.36Å; A422-Q425 CarbonylContact O-C 3.59Å; A422-Q425 PolarHBondContact O-N 3.14Å; Q425-L428 CarbonylContact O-C 3.58Å; Q425-L428 PolarHBondContact O-N 3.23Å; Q425-Q429 WeakPolarHBondContact O-CB 3.41Å; Q425-Q429 WeakPolarHBondContact O-CG 3.34Å; Q425-Q429 PolarHBondContact O-N 2.76Å |
| 426 | Q | 64.3 | Low | 66.7 | Low | 132 Ų | 132 | 93 Ų | 93 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -37.9 | 177.5 | -172.4 | 176 | 26.4 | 0 | 0 | 110.7 | A422 E423 Q429 Y430 | A422-Q426 WeakPolarHBondContact O-CB 3.41Å; A422-Q426 PolarHBondContact O-N 2.94Å; E423-Q426 PolarHBondContact O-N 2.84Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q426-Y430 VanDerWaalsContact O-CB 3.24Å; Q426-Y430 WeakPolarHBondContact O-CB 3.42Å; Q426-Y430 PolarHBondContact O-N 2.93Å |
| 427 | K | 67.3 | Low | 67.1 | Low | 141 Ų | 141 | 88.9 Ų | 88.9 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 170.6 | -172.5 | 170 | -177.4 | 172.3 | 0 | 112.1 | E423 T424 Y430 M431 | E423-K427 WeakPolarHBondContact O-CB 3.22Å; E423-K427 PolarHBondContact O-N 3Å; T424-K427 PolarHBondContact O-N 3.12Å; K427-Y430 PolarHBondContact O-N 3.23Å; K427-M431 HydrophobicContact CG-SD 4.2Å; K427-M431 WeakPolarHBondContact O-CB 3.34Å; K427-M431 VanDerWaalsContact O-CG 3.26Å; K427-M431 WeakPolarHBondContact O-CG 3.42Å; K427-M431 PolarHBondContact O-N 3.08Å |
| 428 | L | 73.6 | Confident | 67.3 | Low | 108 Ų | 108 | 94 Ų | 94 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 174.8 | -74.6 | 166.6 | 0 | 0 | 0 | 112.3 | T424 Q425 M431 S432 | T424-L428 HydrophobicContact CG2-CD1 4.35Å; T424-L428 WeakPolarHBondContact O-CG 3.33Å; T424-L428 PolarHBondContact O-N 3Å; Q425-L428 CarbonylContact O-C 3.58Å; Q425-L428 PolarHBondContact O-N 3.23Å; L428-M431 PolarHBondContact O-N 3.24Å; L428-S432 VanDerWaalsContact O-CB 3.28Å; L428-S432 WeakPolarHBondContact O-CB 3.43Å; L428-S432 PolarHBondContact O-N 3.1Å |
| 429 | Q | 77 | Confident | 67.8 | Low | 123 Ų | 123 | 94.2 Ų | 94.2 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 173.4 | -77.5 | 177.4 | -10.6 | 0 | 0 | 111.1 | Q425 Q426 M431 S432 N433 | Q425-Q429 WeakPolarHBondContact O-CB 3.41Å; Q425-Q429 WeakPolarHBondContact O-CG 3.34Å; Q425-Q429 PolarHBondContact O-N 2.76Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q429-M431 PolarHBondContact O-N 2.98Å; Q429-S432 PolarHBondContact O-N 2.91Å; Q429-N433 VanDerWaalsContact O-CB 3.31Å; Q429-N433 WeakPolarHBondContact O-CB 3.29Å; Q429-N433 PolarHBondContact O-N 3Å; Q429-N433 PolarHBondContact O-OD1 3.07Å |
| 430 | Y | 78.3 | Confident | 68.6 | Low | 163 Ų | 163 | 93.6 Ų | 93.6 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.7 | -48.7 | 174.6 | 178 | -97.9 | 0 | 0 | 0 | 111.4 | Q426 K427 S432 N433 V434 | Q426-Y430 VanDerWaalsContact O-CB 3.24Å; Q426-Y430 WeakPolarHBondContact O-CB 3.42Å; Q426-Y430 PolarHBondContact O-N 2.93Å; K427-Y430 PolarHBondContact O-N 3.23Å; Y430-S432 VanDerWaalsContact C-N 3.34Å; Y430-S432 PolarHBondContact O-N 3.27Å; Y430-N433 PolarHBondContact O-N 3.18Å; Y430-V434 HydrophobicContact CD1-CG2 4.36Å; Y430-V434 HydrophobicContact CE1-CG2 3.98Å; Y430-V434 HydrophobicContact CE2-CG2 4.19Å; Y430-V434 WeakPolarHBondContact O-CG2 3.17Å; Y430-V434 PolarHBondContact O-N 2.86Å |
| 431 | M | 72.9 | Confident | 69.6 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.7 | -69.8 | 172.5 | 67.2 | 0 | 0 | 112.3 | K427 L428 Q429 N435 | K427-M431 HydrophobicContact CG-SD 4.2Å; K427-M431 WeakPolarHBondContact O-CB 3.34Å; K427-M431 VanDerWaalsContact O-CG 3.26Å; K427-M431 WeakPolarHBondContact O-CG 3.42Å; K427-M431 PolarHBondContact O-N 3.08Å; L428-M431 PolarHBondContact O-N 3.24Å; Q429-M431 PolarHBondContact O-N 2.98Å; M431-N435 WeakPolarHBondContact O-CB 3.21Å; M431-N435 VanDerWaalsContact O-CG 3.27Å; M431-N435 PolarHBondContact O-N 3.35Å |
| 432 | S | 83.3 | Confident | 69.9 | Low | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 174.7 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | L428 Q429 Y430 N435 A436 | L428-S432 VanDerWaalsContact O-CB 3.28Å; L428-S432 WeakPolarHBondContact O-CB 3.43Å; L428-S432 PolarHBondContact O-N 3.1Å; Q429-S432 PolarHBondContact O-N 2.91Å; Y430-S432 VanDerWaalsContact C-N 3.34Å; Y430-S432 PolarHBondContact O-N 3.27Å; S432-N435 PolarHBondContact O-N 3.37Å; S432-A436 VanDerWaalsContact O-CB 3.32Å; S432-A436 WeakPolarHBondContact O-CB 3.47Å; S432-A436 PolarHBondContact O-N 3.2Å |
| 433 | N | 84.7 | Confident | 70.2 | Confident | 108 Ų | 108 | 105.1 Ų | 105.1 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72 | -38.6 | -179.9 | -68.4 | -4.8 | 0 | 0 | 0 | 111.5 | Q429 Y430 A436 A437 | Q429-N433 VanDerWaalsContact O-CB 3.31Å; Q429-N433 WeakPolarHBondContact O-CB 3.29Å; Q429-N433 PolarHBondContact O-N 3Å; Q429-N433 PolarHBondContact O-OD1 3.07Å; Y430-N433 PolarHBondContact O-N 3.18Å; N433-A436 PolarHBondContact O-N 3.36Å; N433-A437 WeakPolarHBondContact O-CB 3.47Å; N433-A437 PolarHBondContact O-N 2.98Å |
| 434 | V | 80.3 | Confident | 70.4 | Confident | 51 Ų | 51 | 105.9 Ų | 105.9 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.3 | -45.3 | 172.3 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | Y430 A437 M438 | Y430-V434 HydrophobicContact CD1-CG2 4.36Å; Y430-V434 HydrophobicContact CE1-CG2 3.98Å; Y430-V434 HydrophobicContact CE2-CG2 4.19Å; Y430-V434 WeakPolarHBondContact O-CG2 3.17Å; Y430-V434 PolarHBondContact O-N 2.86Å; V434-A437 PolarHBondContact O-N 2.95Å; V434-M438 HydrophobicContact CG1-CE 4.48Å; V434-M438 PolarHBondContact O-N 3.06Å |
| 435 | N | 77.6 | Confident | 70.3 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 175.2 | -74.8 | -6.6 | 0 | 0 | 0 | 111.9 | M431 S432 M438 N439 | M431-N435 WeakPolarHBondContact O-CB 3.21Å; M431-N435 VanDerWaalsContact O-CG 3.27Å; M431-N435 PolarHBondContact O-N 3.35Å; S432-N435 PolarHBondContact O-N 3.37Å; N435-M438 PolarHBondContact O-N 3.16Å; N435-N439 PolarHBondContact O-N 3.11Å; N435-N439 PolarHBondContact O-ND2 3.24Å |
| 436 | A | 80.5 | Confident | 69.6 | Low | 57 Ų | 57 | 115.3 Ų | 115.3 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S432 N433 N439 S440 | S432-A436 VanDerWaalsContact O-CB 3.32Å; S432-A436 WeakPolarHBondContact O-CB 3.47Å; S432-A436 PolarHBondContact O-N 3.2Å; N433-A436 PolarHBondContact O-N 3.36Å; A436-N439 PolarHBondContact O-N 3.37Å; A436-S440 PolarHBondContact O-N 3.36Å; A436-S440 PolarHBondContact O-OG 3.43Å |
| 437 | A | 78.2 | Confident | 69.9 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N433 V434 N439 S440 V441 | N433-A437 WeakPolarHBondContact O-CB 3.47Å; N433-A437 PolarHBondContact O-N 2.98Å; V434-A437 PolarHBondContact O-N 2.95Å; A437-N439 PolarHBondContact O-N 3.13Å; A437-S440 PolarHBondContact O-N 3.3Å; A437-S440 PolarHBondContact O-OG 3.47Å; A437-V441 WeakPolarHBondContact O-CG2 3.44Å; A437-V441 PolarHBondContact O-N 3.25Å; A437-V441 VanDerWaalsContact O-N 3.09Å |
| 438 | M | 73.2 | Confident | 70 | Confident | 130 Ų | 130 | 113.1 Ų | 113.1 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.3 | -37.2 | 176.7 | -74 | -170.8 | 169.9 | 0 | 0 | 112.7 | V434 N435 Q442 | V434-M438 HydrophobicContact CG1-CE 4.48Å; V434-M438 PolarHBondContact O-N 3.06Å; N435-M438 PolarHBondContact O-N 3.16Å; M438-Q442 PolarHBondContact O-N 3.35Å |
| 439 | N | 70.6 | Confident | 69.8 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 57% | 0.572 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.8 | -37.5 | 175.4 | -77.2 | -89.3 | 0 | 0 | 0 | 112.3 | N435 A436 A437 V441 Q442 | N435-N439 PolarHBondContact O-N 3.11Å; N435-N439 PolarHBondContact O-ND2 3.24Å; A436-N439 PolarHBondContact O-N 3.37Å; A437-N439 PolarHBondContact O-N 3.13Å; N439-V441 VanDerWaalsContact C-N 3.34Å; N439-V441 PolarHBondContact O-N 3.03Å; N439-Q442 PolarHBondContact O-N 3.04Å |
| 440 | S | 65.3 | Low | 69.4 | Low | 61 Ų | 61 | 112.8 Ų | 112.8 | 43% | 0.427 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.1 | -28.4 | 177.6 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | A436 A437 N444 | A436-S440 PolarHBondContact O-N 3.36Å; A436-S440 PolarHBondContact O-OG 3.43Å; A437-S440 PolarHBondContact O-N 3.3Å; A437-S440 PolarHBondContact O-OG 3.47Å; S440-N444 PolarHBondContact O-ND2 2.9Å |
| 441 | V | 60.1 | Low | 68.9 | Low | 103 Ų | 103 | 109.7 Ų | 109.7 | 62% | 0.624 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -35.8 | 172.9 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | A437 N439 L443 N444 | A437-V441 WeakPolarHBondContact O-CG2 3.44Å; A437-V441 PolarHBondContact O-N 3.25Å; A437-V441 VanDerWaalsContact O-N 3.09Å; N439-V441 VanDerWaalsContact C-N 3.34Å; N439-V441 PolarHBondContact O-N 3.03Å; V441-L443 PolarHBondContact O-N 3.49Å; V441-N444 PolarHBondContact O-N 2.97Å |
| 442 | Q | 56.9 | Low | 68.6 | Low | 152 Ų | 152 | 110.5 Ų | 110.5 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.3 | -21.8 | 179.4 | -72.2 | -162.9 | -28.1 | 0 | 0 | 114.5 | M438 N439 | M438-Q442 PolarHBondContact O-N 3.35Å; N439-Q442 PolarHBondContact O-N 3.04Å |
| 443 | L | 55.9 | Low | 67.5 | Low | 135 Ų | 135 | 113.2 Ų | 113.2 | 71% | 0.707 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -3.3 | 177.6 | -67.5 | -179.6 | 0 | 0 | 0 | 114.3 | V441 | V441-L443 PolarHBondContact O-N 3.49Š|
| 444 | N | 58.8 | Low | 66.2 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 20.8 | 179.7 | -68.9 | -33 | 0 | 0 | 0 | 113.2 | S440 V441 | S440-N444 PolarHBondContact O-ND2 2.9Å; V441-N444 PolarHBondContact O-N 2.97Å |
| 445 | H | 57.5 | Low | 65.1 | Low | 173 Ų | 173 | 118.8 Ų | 118.8 | 80% | 0.801 | 65% | 0.649 | S | S | * | * | trans | -132.5 | 21.4 | -179 | -148.2 | -40.6 | 0 | 0 | 0 | 113.8 | ||||
| 446 | L | 46.3 | Very low | 63.9 | Low | 222 Ų | 222 | 120.7 Ų | 120.7 | 100% | 1.162 | 66% | 0.661 | S | S | * | * | trans | -122.9 | 0 | 169 | -73.8 | 170.7 | 0 | 0 | 0 | 109.2 |
Retrieved 446 of 446 residues in 230.1 ms
(Link to these results)