| 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 | 47.6 | Very low | 47.9 | Very low | 244 Ų | 244 | 143.5 Ų | 143.5 | 100% | 1.202 | 83% | 0.834 | S | S | * | * | 0 | 125.7 | 0 | -78.2 | 162.1 | 165.7 | 0 | 0 | 107.9 | |||||
| 2 | S | 43.1 | Very low | 48 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | 47 | 111.9 | 171.6 | -68.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | F | 45.4 | Very low | 48.7 | Very low | 218 Ų | 218 | 147 Ų | 147 | 96% | 0.956 | 84% | 0.844 | S | S | * | * | 52.8 | 128.4 | 70.7 | -79.6 | -93.7 | 0 | 0 | 0 | 112 | |||||
| 4 | G | 46.8 | Very low | 48.9 | Very low | 60 Ų | 60 | 146.4 Ų | 146.4 | 62% | 0.619 | 84% | 0.837 | S | S | * | * | cis | 156.3 | -171.3 | 14.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | Q | 51.6 | Low | 49 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | 90.6 | 136.6 | 174.9 | -55.7 | -174.3 | 19.3 | 0 | 0 | 116.1 | ||||
| 6 | A | 45.9 | Very low | 48.6 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | cis | -172.5 | 144.7 | -18.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 7 | L | 46.8 | Very low | 48.5 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -71.5 | -158.8 | 172.5 | -64.8 | 166.4 | 0 | 0 | 0 | 110.9 | ||||
| 8 | P | 58.9 | Low | 48.3 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 57% | 0.565 | 83% | 0.831 | S | S | * | * | cis | -146.5 | -168.1 | -3.1 | 17.8 | 12.2 | 0 | 0 | 0 | 116.8 | ||||
| 9 | Y | 45.1 | Very low | 48.1 | Very low | 225 Ų | 225 | 148.4 Ų | 148.4 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | 93.4 | 124.1 | 162.1 | -56.2 | -77.5 | 0 | 0 | 0 | 115 | ||||
| 10 | G | 45.6 | Very low | 47.8 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | 131.4 | 103.9 | 13.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | A | 50.1 | Low | 47.8 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -161.6 | 98.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | V | 49.7 | Very low | 47.7 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -93.7 | 125.6 | 163 | 172.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 13 | M | 56.9 | Low | 47.9 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 95% | 0.946 | 81% | 0.813 | S | S | * | * | trans | -133.5 | 135.4 | 160.3 | -77.6 | -144.7 | 140.9 | 0 | 0 | 111.3 | ||||
| 14 | N | 50.6 | Low | 47.9 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -96.9 | 142.3 | -164.7 | 179.2 | -13.6 | 0 | 0 | 0 | 109.9 | ||||
| 15 | P | 51.1 | Low | 47.8 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | trans | -95.6 | 110.6 | -179.1 | 34.7 | -28.3 | 0 | 0 | 0 | 111.7 | ||||
| 16 | Q | 42.7 | Very low | 47.8 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -161.1 | 113.9 | 157.5 | -80.7 | -58.3 | -1.2 | 0 | 0 | 108.5 | ||||
| 17 | L | 46.5 | Very low | 47.9 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -177.9 | 114 | 143.8 | -81.7 | -157.3 | 0 | 0 | 0 | 107.6 | ||||
| 18 | L | 45.7 | Very low | 47.9 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | 165.7 | 97.6 | 123.4 | -83.5 | 172.9 | 0 | 0 | 0 | 109.9 | |||||
| 19 | L | 44.9 | Very low | 47.5 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -74.6 | 148.7 | 156.8 | -102.6 | 72.7 | 0 | 0 | 0 | 109.8 | ||||
| 20 | S | 40.4 | Very low | 47.4 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | trans | 71.4 | 114.9 | 146.6 | -65.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 21 | T | 48.7 | Very low | 47.4 | Very low | 149 Ų | 149 | 147 Ų | 147 | 91% | 0.914 | 84% | 0.837 | S | S | * | * | trans | 170.1 | 142.2 | 136.7 | 34 | 0 | 0 | 0 | 0 | 105 | ||||
| 22 | S | 45.8 | Very low | 47.6 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | cis | -163.8 | 139.1 | -1.1 | 170.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 23 | L | 47 | Very low | 46.9 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -62.5 | 142.1 | 169.5 | -82.6 | 84.8 | 0 | 0 | 0 | 110.4 | ||||
| 24 | G | 46.1 | Very low | 46.9 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -140.9 | 84.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 25 | R | 44.6 | Very low | 46.6 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -69.2 | 134.9 | 167.1 | -101 | -180 | 175.6 | -147 | -0.3 | 109.4 | ||||
| 26 | K | 49.9 | Very low | 46.3 | Very low | 213 Ų | 213 | 145.1 Ų | 145.1 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -149 | 133.7 | 148.3 | -134.5 | 165.1 | -178.6 | -169.2 | 0 | 112 | ||||
| 27 | S | 48.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -71.9 | 166.2 | -163.5 | -50.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 28 | P | 46.8 | Very low | 46.2 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | trans | -98.7 | 154.9 | 174.7 | 37.5 | -29.5 | 0 | 0 | 0 | 113.4 | ||||
| 29 | S | 51.1 | Low | 46.8 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -148.4 | 124.8 | 164.2 | 58.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 30 | G | 43.5 | Very low | 46.7 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | cis | 112.8 | 95.7 | 47.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 31 | R | 45.4 | Very low | 47.4 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -176.1 | 90.5 | 167.4 | -109.1 | 175.8 | 168.5 | -141.5 | -4.5 | 108 | ||||
| 32 | S | 52.7 | Low | 47.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 69.4 | 105.1 | 94.2 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 33 | D | 37 | Very low | 46.7 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -53.9 | 161.1 | 168.2 | -70.1 | -56.7 | 0 | 0 | 0 | 113.8 | ||||
| 34 | P | 55.5 | Low | 46.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -142 | 126.6 | 103.1 | 33.3 | -16.3 | 0 | 0 | 0 | 114.5 | |||||
| 35 | S | 44.2 | Very low | 46.1 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | 22 | 143 | 131.1 | 53.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 36 | H | 45.7 | Very low | 45.7 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 75.8 | 109.5 | 157.1 | -69.8 | -76.3 | 0 | 0 | 0 | 118.3 | ||||
| 37 | I | 44.2 | Very low | 45.6 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | 164.4 | 115.8 | 115.4 | -79.8 | 152.2 | 0 | 0 | 0 | 108 | |||||
| 38 | V | 41.5 | Very low | 45.1 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -83.3 | 135.7 | 170.7 | 173.5 | 0 | 0 | 0 | 0 | 108.8 | T40 | V38-T40 HydrophobicContact CG1-CG2 4.47Š| ||
| 39 | P | 60 | Low | 44.7 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -115 | 113 | 156.5 | 29.9 | -15.1 | 0 | 0 | 0 | 110.5 | ||||
| 40 | T | 42.2 | Very low | 44.2 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133.5 | 163.1 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | V38 | V38-T40 HydrophobicContact CG1-CG2 4.47Š|
| 41 | P | 54.8 | Low | 43.9 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.9 | 162 | 30.8 | -27.3 | 0 | 0 | 0 | 111 | ||
| 42 | S | 43.5 | Very low | 43.6 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 131.1 | -173.6 | -48.4 | 0 | 0 | 0 | 0 | 116.6 | V44 | S42-V44 PolarHBondContact O-N 3.27Š|
| 43 | T | 37.5 | Very low | 43 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 121.8 | 152.8 | -60.3 | 0 | 0 | 0 | 0 | 110 | ||
| 44 | V | 41 | Very low | 43.2 | Very low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -92.8 | 97.2 | 163.9 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | S42 | S42-V44 PolarHBondContact O-N 3.27Š| ||
| 45 | S | 37.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -80.6 | 115.7 | 165.7 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | L | 37.8 | Very low | 42.4 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -81 | 139.4 | 164.7 | -76.8 | 161.6 | 0 | 0 | 0 | 109.2 | I48 | L46-I48 PolarHBondContact O-N 3.11Š| ||
| 47 | P | 48.2 | Very low | 42 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 124.6 | -176.3 | 29.2 | -32.5 | 0 | 0 | 0 | 110.7 | G49 | P47-G49 PolarHBondContact O-N 3.41Å; P47-G49 VanDerWaalsContact O-N 3.11Å | ||
| 48 | I | 36.7 | Very low | 41.8 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 100.9 | 159.5 | -75 | 164 | 0 | 0 | 0 | 106.6 | L46 | L46-I48 PolarHBondContact O-N 3.11Š| ||
| 49 | G | 38 | Very low | 42.2 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -100.5 | 118.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P47 | P47-G49 PolarHBondContact O-N 3.41Å; P47-G49 VanDerWaalsContact O-N 3.11Å | ||
| 50 | S | 41.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -57.8 | 136.7 | -176.6 | -46 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 51 | G | 36.1 | Very low | 42.5 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 52.2 | 101.2 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 52 | H | 39.5 | Very low | 43.4 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -161.7 | 128.4 | 134.1 | -121.3 | -81.6 | 0 | 0 | 0 | 109.8 | ||||
| 53 | P | 40.1 | Very low | 44.7 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -83.7 | 126 | 174.3 | 32.4 | -28.9 | 0 | 0 | 0 | 109.4 | ||||
| 54 | M | 42.5 | Very low | 46.4 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | trans | -135.7 | 133.2 | 170.4 | -72.7 | -64.6 | 178.9 | 0 | 0 | 111.1 | ||||
| 55 | N | 37.8 | Very low | 48 | Very low | 155 Ų | 155 | 116.5 Ų | 116.5 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | trans | -73.9 | 175.6 | 178.8 | -142.1 | 3.4 | 0 | 0 | 0 | 110.9 | ||||
| 56 | P | 43.4 | Very low | 49.7 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | trans | -120.5 | 122.1 | -131 | 29.6 | -4.9 | 0 | 0 | 0 | 112.6 | ||||
| 57 | S | 38.8 | Very low | 51.3 | Low | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -166.8 | 137.4 | 161.3 | 54 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 58 | S | 38.9 | Very low | 52.4 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | trans | 76.5 | 81.1 | 169.7 | -46.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 59 | S | 50 | Low | 54.3 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -125.9 | 97.9 | 145.9 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | V61 | S59-V61 PolarHBondContact O-N 3.45Å; S59-V61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | E | 49.3 | Very low | 55.9 | Low | 193 Ų | 193 | 110 Ų | 110 | 90% | 0.902 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 109.1 | 169.1 | -80.2 | -179.8 | 107.7 | 0 | 0 | 108.3 | S62 | E60-S62 PolarHBondContact O-N 3.12Š| ||
| 61 | V | 59.1 | Low | 57.2 | Low | 70 Ų | 70 | 109 Ų | 109 | 42% | 0.424 | 63% | 0.63 | S | S | . | * | trans | -73.2 | 118 | 170 | -172.2 | 0 | 0 | 0 | 0 | 106.7 | S59 A63 T65 M66 | S59-V61 PolarHBondContact O-N 3.45Å; S59-V61 VanDerWaalsContact O-N 3.12Å; V61-A63 PolarHBondContact O-N 3.4Å; V61-T65 HydrophobicContact CG1-CG2 3.54Å; V61-M66 VanDerWaalsContact O-CE 3.31Å; V61-M66 WeakPolarHBondContact O-CE 3.31Å | ||
| 62 | S | 73.2 | Confident | 59 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 46% | 0.462 | 62% | 0.623 | S | S | . | * | trans | -47.8 | 139.9 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | E60 E64 T65 M66 | E60-S62 PolarHBondContact O-N 3.12Å; S62-E64 PolarHBondContact O-N 3.26Å; S62-T65 WeakPolarHBondContact O-CA 3.31Å; S62-T65 WeakPolarHBondContact O-CB 3.43Å; S62-T65 PolarHBondContact O-N 3.2Å; S62-M66 PolarHBondContact O-N 3.47Å | ||
| 63 | A | 71.9 | Confident | 60.5 | Low | 55 Ų | 55 | 110.4 Ų | 110.4 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -54.2 | -28.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V61 R67 | V61-A63 PolarHBondContact O-N 3.4Å; A63-R67 WeakPolarHBondContact O-CB 3.09Å; A63-R67 WeakPolarHBondContact O-CG 3.45Å; A63-R67 PolarHBondContact O-N 2.63Å |
| 64 | E | 72.2 | Confident | 61.9 | Low | 144 Ų | 144 | 108 Ų | 108 | 67% | 0.673 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.3 | -42.1 | 172.9 | -69.9 | -171.5 | 149.6 | 0 | 0 | 112.5 | S62 R67 L68 | S62-E64 PolarHBondContact O-N 3.26Å; E64-R67 PolarHBondContact O-N 3.45Å; E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 3.02Å |
| 65 | T | 76.4 | Confident | 63 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 38% | 0.38 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.5 | -41 | 175.3 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | V61 S62 R67 L68 L69 | V61-T65 HydrophobicContact CG1-CG2 3.54Å; S62-T65 WeakPolarHBondContact O-CA 3.31Å; S62-T65 WeakPolarHBondContact O-CB 3.43Å; S62-T65 PolarHBondContact O-N 3.2Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.34Å; T65-L68 PolarHBondContact O-N 2.88Å; T65-L69 HydrophobicContact CG2-CD1 4.15Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 VanDerWaalsContact O-CG 3.23Å; T65-L69 WeakPolarHBondContact O-CG 3.33Å; T65-L69 PolarHBondContact O-N 3.42Å |
| 66 | M | 72 | Confident | 64 | Low | 82 Ų | 82 | 99 Ų | 99 | 40% | 0.404 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.9 | -38.8 | 172.3 | -93.9 | -170.6 | -84 | 0 | 0 | 112.5 | V61 S62 A70 | V61-M66 VanDerWaalsContact O-CE 3.31Å; V61-M66 WeakPolarHBondContact O-CE 3.31Å; S62-M66 PolarHBondContact O-N 3.47Å; M66-A70 VanDerWaalsContact O-CB 3.26Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.14Å |
| 67 | R | 70.9 | Confident | 64.9 | Low | 172 Ų | 172 | 99 Ų | 99 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -43.5 | 174.4 | -83.2 | 178.4 | 162.2 | 178.7 | -3 | 112.4 | A63 E64 T65 A70 S71 V80 | A63-R67 WeakPolarHBondContact O-CB 3.09Å; A63-R67 WeakPolarHBondContact O-CG 3.45Å; A63-R67 PolarHBondContact O-N 2.63Å; E64-R67 PolarHBondContact O-N 3.45Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.34Å; R67-A70 PolarHBondContact O-N 2.93Å; R67-S71 WeakPolarHBondContact O-CB 3.37Å; R67-S71 PolarHBondContact O-N 2.94Å; R67-V80 HydrophobicContact CG-CG1 3.88Å |
| 68 | L | 72.8 | Confident | 66.1 | Low | 128 Ų | 128 | 100.4 Ų | 100.4 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -43 | 176.4 | -73.5 | 172.2 | 0 | 0 | 0 | 111.4 | E64 T65 S71 S72 | E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 3.02Å; T65-L68 PolarHBondContact O-N 2.88Å; L68-S71 PolarHBondContact O-N 3.37Å; L68-S72 PolarHBondContact O-N 2.99Å |
| 69 | L | 75.4 | Confident | 66.9 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 44% | 0.44 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -46.2 | 174.2 | -70.3 | 172.3 | 0 | 0 | 0 | 110.9 | T65 S71 S72 Y73 | T65-L69 HydrophobicContact CG2-CD1 4.15Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 VanDerWaalsContact O-CG 3.23Å; T65-L69 WeakPolarHBondContact O-CG 3.33Å; T65-L69 PolarHBondContact O-N 3.42Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.97Å; L69-S72 WeakPolarHBondContact O-CA 3.37Å; L69-S72 WeakPolarHBondContact O-CB 3.45Å; L69-S72 PolarHBondContact O-N 3.5Å; L69-S72 PolarHBondContact O-OG 3.33Å; L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.38Å; L69-Y73 VanDerWaalsContact O-N 3.1Å |
| 70 | A | 72.8 | Confident | 67.2 | Low | 11 Ų | 11 | 95.1 Ų | 95.1 | 9% | 0.091 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M66 R67 S72 Y73 G74 L75 V80 | M66-A70 VanDerWaalsContact O-CB 3.26Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.14Å; R67-A70 PolarHBondContact O-N 2.93Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-Y73 PolarHBondContact O-N 3.1Å; A70-G74 PolarHBondContact O-N 3.31Å; A70-L75 HydrophobicContact CB-CB 4.26Å; A70-L75 HydrophobicContact CB-CD1 4.36Å; A70-L75 PolarHBondContact O-N 2.85Å; A70-V80 HydrophobicContact CB-CG2 3.37Å |
| 71 | S | 68.9 | Low | 67.4 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -35.5 | 171.7 | -101.9 | 0 | 0 | 0 | 0 | 112.4 | R67 L68 L69 Y73 G74 | R67-S71 WeakPolarHBondContact O-CB 3.37Å; R67-S71 PolarHBondContact O-N 2.94Å; L68-S71 PolarHBondContact O-N 3.37Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 2.99Å; S71-G74 PolarHBondContact O-N 3.21Å |
| 72 | S | 73.6 | Confident | 67.1 | Low | 82 Ų | 82 | 88.8 Ų | 88.8 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.8 | -29 | 176 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | L68 L69 A70 | L68-S72 PolarHBondContact O-N 2.99Å; L69-S72 WeakPolarHBondContact O-CA 3.37Å; L69-S72 WeakPolarHBondContact O-CB 3.45Å; L69-S72 PolarHBondContact O-N 3.5Å; L69-S72 PolarHBondContact O-OG 3.33Å; A70-S72 VanDerWaalsContact C-N 3.33Å |
| 73 | Y | 71.3 | Confident | 66 | Low | 179 Ų | 179 | 89.1 Ų | 89.1 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.6 | 178.1 | -67.2 | -69.8 | 0 | 0 | 0 | 114.3 | L69 A70 S71 L75 | L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.38Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; A70-Y73 PolarHBondContact O-N 3.1Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 2.99Å; Y73-L75 PolarHBondContact O-N 3.05Å |
| 74 | G | 68.5 | Low | 65 | Low | 69 Ų | 69 | 90.2 Ų | 90.2 | 71% | 0.711 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A70 S71 | A70-G74 PolarHBondContact O-N 3.31Å; S71-G74 PolarHBondContact O-N 3.21Å |
| 75 | L | 66.5 | Low | 63.9 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | trans | -72.8 | 133.6 | 176.3 | -76.9 | 165.5 | 0 | 0 | 0 | 110.1 | A70 Y73 L79 | A70-L75 HydrophobicContact CB-CB 4.26Å; A70-L75 HydrophobicContact CB-CD1 4.36Å; A70-L75 PolarHBondContact O-N 2.85Å; Y73-L75 PolarHBondContact O-N 3.05Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å | ||
| 76 | A | 59 | Low | 62.4 | Low | 41 Ų | 41 | 95.2 Ų | 95.2 | 34% | 0.339 | 55% | 0.545 | S | S | . | . | trans | -63.1 | 137.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H78 L79 | A76-H78 WeakPolarHBondContact CB-ND1 3.44Å; A76-H78 PolarHBondContact O-N 3.46Å; A76-L79 PolarHBondContact O-N 3.46Å | ||
| 77 | P | 60.8 | Low | 60.9 | Low | 112 Ų | 112 | 98.3 Ų | 98.3 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.1 | -22.4 | -172.6 | 18.2 | -30.1 | 0 | 0 | 0 | 114.7 | L79 V80 | P77-L79 VanDerWaalsContact C-N 3.3Å; P77-L79 PolarHBondContact O-N 2.92Å; P77-V80 PolarHBondContact O-N 3.05Å |
| 78 | H | 65.1 | Low | 59.5 | Low | 136 Ų | 136 | 97.4 Ų | 97.4 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -25.4 | 175.8 | 76.9 | -83.7 | 0 | 0 | 0 | 113.3 | A76 | A76-H78 WeakPolarHBondContact CB-ND1 3.44Å; A76-H78 PolarHBondContact O-N 3.46Å |
| 79 | L | 55.7 | Low | 58.3 | Low | 95 Ų | 95 | 97.5 Ų | 97.5 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.5 | -24.8 | 178 | -62.8 | -179.4 | 0 | 0 | 0 | 112.3 | L75 A76 P77 | L75-L79 HydrophobicContact CD2-CD1 4.33Å; A76-L79 PolarHBondContact O-N 3.46Å; P77-L79 VanDerWaalsContact C-N 3.3Å; P77-L79 PolarHBondContact O-N 2.92Å |
| 80 | V | 56.8 | Low | 56.5 | Low | 27 Ų | 27 | 100.9 Ų | 100.9 | 16% | 0.164 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -73.1 | -30.9 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | R67 A70 P77 A82 A83 | R67-V80 HydrophobicContact CG-CG1 3.88Å; A70-V80 HydrophobicContact CB-CG2 3.37Å; P77-V80 PolarHBondContact O-N 3.05Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.49Å; V80-A83 PolarHBondContact O-N 3.13Å |
| 81 | A | 52.7 | Low | 54.9 | Low | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.7 | -26.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A83 | A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 3.29Å |
| 82 | A | 53.4 | Low | 53.5 | Low | 72 Ų | 72 | 107 Ų | 107 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74 | -22.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V80 | V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.49Å |
| 83 | A | 49.7 | Very low | 51.7 | Low | 73 Ų | 73 | 110.7 Ų | 110.7 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.8 | -25.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V80 A81 | V80-A83 PolarHBondContact O-N 3.13Å; A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 3.29Å |
| 84 | T | 51.4 | Low | 50.1 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -99.9 | -5.6 | -175.5 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 85 | A | 47.6 | Very low | 48.9 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 19.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 86 | R | 44.7 | Very low | 47.4 | Very low | 232 Ų | 232 | 121 Ų | 121 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 12.7 | 180 | -75.5 | -163.1 | 164.6 | 151.5 | -0.9 | 115.8 | ||
| 87 | L | 41.6 | Very low | 46.1 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -117.8 | 70.3 | 174.3 | -73.8 | 157 | 0 | 0 | 0 | 108.2 | ||
| 88 | D | 41.7 | Very low | 45.2 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -175.4 | 127.9 | 150.6 | -99.7 | -29.8 | 0 | 0 | 0 | 109.2 | ||||
| 89 | T | 46.4 | Very low | 43.9 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 80% | 0.798 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 115.5 | 108.9 | 164 | 70.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 90 | N | 38.7 | Very low | 43.4 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | 76.2 | 112.7 | 153.5 | -78.2 | -55.4 | 0 | 0 | 0 | 120.3 | ||||
| 91 | P | 38.6 | Very low | 42.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | -92.7 | 114.9 | 161.6 | 34.3 | -23.7 | 0 | 0 | 0 | 109.8 | ||||
| 92 | S | 39.3 | Very low | 41.8 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 176.5 | 100.3 | 152.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 93 | L | 36.7 | Very low | 41 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | 179.8 | 107.9 | 128.4 | -154.5 | 84.8 | 0 | 0 | 0 | 108.4 | Q95 | L93-Q95 PolarHBondContact O-N 3.03Š| |||
| 94 | E | 37.8 | Very low | 40.4 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -55.3 | 110.7 | 162.4 | -75.9 | -93.7 | 134.7 | 0 | 0 | 110.9 | ||||
| 95 | Q | 42.7 | Very low | 40 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 175.7 | 148.5 | 140.2 | -105.1 | 167.1 | -12.3 | 0 | 0 | 110.2 | L93 | L93-Q95 PolarHBondContact O-N 3.03Š| ||
| 96 | F | 36 | Very low | 39.6 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | 90.1 | 69.7 | -178.7 | -59.7 | -79.1 | 0 | 0 | 0 | 116.5 | ||||
| 97 | R | 31.6 | Very low | 39.3 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -86.8 | 106.3 | 152.3 | -177.1 | 179.1 | -170 | 158 | 2 | 109 | ||||
| 98 | A | 40.4 | Very low | 39.3 | Very low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -155.7 | 125 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 99 | F | 38 | Very low | 39.5 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -65.3 | -173.3 | -176.8 | -83.3 | -81.4 | 0 | 0 | 0 | 114.8 | ||||
| 100 | P | 45.3 | Very low | 39.2 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | -137.2 | -161.8 | -81 | 37.8 | -13.7 | 0 | 0 | 0 | 112.5 | |||||
| 101 | H | 39 | Very low | 39.4 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 124.3 | 163.5 | -61.9 | -62.9 | 0 | 0 | 0 | 120.7 | ||||
| 102 | G | 36.5 | Very low | 39.4 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 104.2 | 90 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 103 | F | 37.6 | Very low | 39.3 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -128.8 | 107.5 | 164.8 | 150.9 | -88.8 | 0 | 0 | 0 | 108.6 | L105 | F103-L105 HydrophobicContact CD2-CD1 4.17Å; F103-L105 HydrophobicContact CD2-CD2 4.39Å; F103-L105 HydrophobicContact CD2-CG 3.76Å; F103-L105 HydrophobicContact CE2-CB 4.22Å; F103-L105 HydrophobicContact CE2-CD1 3.14Å; F103-L105 HydrophobicContact CE2-CD2 4.12Å; F103-L105 HydrophobicContact CE2-CG 3.18Å; F103-L105 HydrophobicContact CZ-CB 4.31Å; F103-L105 HydrophobicContact CZ-CD1 3.5Å; F103-L105 VanDerWaalsContact CZ-CD1 3.5Å; F103-L105 HydrophobicContact CZ-CG 3.7Å | ||
| 104 | A | 36.5 | Very low | 39.6 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -114.3 | 118.1 | 164 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 105 | L | 43.9 | Very low | 39.4 | Very low | 112 Ų | 112 | 139 Ų | 139 | 59% | 0.586 | 79% | 0.787 | S | S | * | * | trans | -105.1 | 106.8 | 169.9 | -76.1 | -177.5 | 0 | 0 | 0 | 110 | F103 F107 | F103-L105 HydrophobicContact CD2-CD1 4.17Å; F103-L105 HydrophobicContact CD2-CD2 4.39Å; F103-L105 HydrophobicContact CD2-CG 3.76Å; F103-L105 HydrophobicContact CE2-CB 4.22Å; F103-L105 HydrophobicContact CE2-CD1 3.14Å; F103-L105 HydrophobicContact CE2-CD2 4.12Å; F103-L105 HydrophobicContact CE2-CG 3.18Å; F103-L105 HydrophobicContact CZ-CB 4.31Å; F103-L105 HydrophobicContact CZ-CD1 3.5Å; F103-L105 VanDerWaalsContact CZ-CD1 3.5Å; F103-L105 HydrophobicContact CZ-CG 3.7Å; L105-F107 HydrophobicContact CB-CD2 4.26Å; L105-F107 HydrophobicContact CB-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CD2 4.29Å; L105-F107 HydrophobicContact CD1-CE2 3.83Å; L105-F107 HydrophobicContact CD2-CD2 4.28Å; L105-F107 HydrophobicContact CD2-CE2 3.67Å; L105-F107 HydrophobicContact CD2-CZ 4.44Å; L105-F107 HydrophobicContact CG-CE2 4.17Å | ||
| 106 | G | 38.3 | Very low | 39.2 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -93.7 | 125.3 | 151 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 107 | F | 39.9 | Very low | 39.5 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | trans | -119.5 | 109.3 | 167.9 | -89.6 | -78.4 | 0 | 0 | 0 | 109 | L105 | L105-F107 HydrophobicContact CB-CD2 4.26Å; L105-F107 HydrophobicContact CB-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CD2 4.29Å; L105-F107 HydrophobicContact CD1-CE2 3.83Å; L105-F107 HydrophobicContact CD2-CD2 4.28Å; L105-F107 HydrophobicContact CD2-CE2 3.67Å; L105-F107 HydrophobicContact CD2-CZ 4.44Å; L105-F107 HydrophobicContact CG-CE2 4.17Å | ||
| 108 | Y | 41.2 | Very low | 39.7 | Very low | 228 Ų | 228 | 125.6 Ų | 125.6 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -96.5 | 127 | 155.5 | -82 | -90 | 0 | 0 | 0 | 107.4 | ||||
| 109 | P | 45.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -91.4 | 107.5 | 164.9 | 31.9 | -23.2 | 0 | 0 | 0 | 108.4 | ||||
| 110 | G | 39.1 | Very low | 39.7 | Very low | 59 Ų | 59 | 124.4 Ų | 124.4 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -120.7 | 116.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | L | 43.5 | Very low | 39.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 76.3 | 126.1 | 143.5 | -65.3 | 126.8 | 0 | 0 | 0 | 120.6 | ||||
| 112 | S | 38.3 | Very low | 39.5 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 69 | 98.6 | 137.5 | 47.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 113 | S | 37.7 | Very low | 40.1 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -89.7 | 102.2 | 150.4 | -53 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 114 | T | 41.6 | Very low | 40.3 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -102.7 | 129.3 | 161 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 115 | S | 34.8 | Very low | 40.2 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -34.1 | 138 | 172.5 | 162.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 116 | T | 39 | Very low | 40.2 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -156.1 | 124.6 | 143.7 | 13 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 117 | A | 40.4 | Very low | 40.6 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 62 | 151.3 | 143 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 118 | A | 36.3 | Very low | 40.7 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | 177.4 | 128.4 | -17.8 | 0 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 119 | S | 41.5 | Very low | 40.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -175.7 | 82.8 | 158.6 | -79.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 120 | T | 38.1 | Very low | 41.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | 35.7 | 106.8 | 110.7 | 149.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 121 | L | 46.3 | Very low | 41.4 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | -157.5 | 135.4 | 135.3 | -106.2 | 157.8 | 0 | 0 | 0 | 109.4 | ||||
| 122 | E | 33.5 | Very low | 41.2 | Very low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -101.1 | 135 | -157.5 | 178.2 | -168.6 | 147.5 | 0 | 0 | 110 | ||||
| 123 | M | 49.7 | Very low | 41.2 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -154.1 | 97.2 | 147.5 | -140.9 | 115.3 | -179 | 0 | 0 | 112 | ||||
| 124 | K | 41.1 | Very low | 41.5 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 54.3 | 114.6 | 128.5 | -154 | 76.2 | 173.6 | 166.7 | 0 | 120.2 | |||||
| 125 | A | 33.7 | Very low | 41.7 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -77 | 157.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 126 | A | 43.9 | Very low | 41.8 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -164.6 | 96.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 127 | T | 47 | Very low | 41.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 50.8 | 97.6 | 87.4 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 128 | D | 42.3 | Very low | 42.1 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | 167.1 | 134.9 | 113 | -93.6 | -40.7 | 0 | 0 | 0 | 112.4 | |||||
| 129 | G | 43.3 | Very low | 42.7 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 90 | 101 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 130 | M | 51.8 | Low | 42.6 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 92.3 | 148.7 | 133.7 | -58.3 | -57.1 | -93.4 | 0 | 0 | 120.2 | ||||
| 131 | P | 44.7 | Very low | 43.1 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -103.6 | 169 | -144.8 | 39.4 | -33.1 | 0 | 0 | 0 | 114.9 | V133 | P131-V133 PolarHBondContact O-N 3.44Š| ||
| 132 | A | 39.9 | Very low | 43.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -37.8 | 112 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 133 | V | 38.9 | Very low | 43.6 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -160.7 | 109.2 | 143.1 | 172.4 | 0 | 0 | 0 | 0 | 107 | P131 | P131-V133 PolarHBondContact O-N 3.44Š| ||
| 134 | L | 44 | Very low | 43.7 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | trans | -164.5 | 86.5 | 145.3 | -129.3 | 78.9 | 0 | 0 | 0 | 106.3 | ||||
| 135 | S | 45.7 | Very low | 44.2 | Very low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | 67.7 | 91.4 | 95.4 | -60 | 0 | 0 | 0 | 0 | 111.6 | Q137 | S135-Q137 PolarHBondContact O-N 2.66Å; S135-Q137 VanDerWaalsContact O-N 3.16Å | |||
| 136 | S | 36.5 | Very low | 45.3 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 10.8 | 92.5 | 135.2 | -48.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 137 | Q | 41.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | trans | -130.6 | 73.8 | 153.3 | -157.6 | 173.1 | 80.9 | 0 | 0 | 108 | S135 Q139 | S135-Q137 PolarHBondContact O-N 2.66Å; S135-Q137 VanDerWaalsContact O-N 3.16Å; Q137-Q139 HydrophobicContact CG-CG 3.95Å; Q137-Q139 PolarHBondContact O-N 2.98Å; Q137-Q139 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 138 | T | 45.6 | Very low | 46.8 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -59 | 91.8 | 152.5 | 43.7 | 0 | 0 | 0 | 0 | 106.6 | T140 | T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 3.44Å | ||
| 139 | Q | 48.3 | Very low | 48 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -65.5 | 100.5 | 166.1 | -68.2 | -175.8 | 22.2 | 0 | 0 | 106.2 | Q137 L141 | Q137-Q139 HydrophobicContact CG-CG 3.95Å; Q137-Q139 PolarHBondContact O-N 2.98Å; Q137-Q139 VanDerWaalsContact OE1-NE2 3.16Å; Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.35Å | ||
| 140 | T | 39.2 | Very low | 49.1 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -63.1 | 90.8 | 167.4 | 52.4 | 0 | 0 | 0 | 0 | 107 | T138 | T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 3.44Å | ||
| 141 | L | 49 | Very low | 49.8 | Very low | 118 Ų | 118 | 119.4 Ų | 119.4 | 62% | 0.618 | 68% | 0.682 | S | S | * | * | trans | -73.4 | 130.3 | 168 | -64.9 | -178.1 | 0 | 0 | 0 | 107.9 | Q139 A143 | Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.35Å; L141-A143 PolarHBondContact O-N 3.42Å | ||
| 142 | P | 47.3 | Very low | 50.7 | Low | 101 Ų | 101 | 116.3 Ų | 116.3 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | trans | -61.9 | 132.6 | -179.8 | 25.8 | -31.6 | 0 | 0 | 0 | 108.5 | Y144 | P142-Y144 WeakPolarHBondContact O-CD1 3.23Å; P142-Y144 WeakPolarHBondContact O-CE1 3.37Å; P142-Y144 PolarHBondContact O-N 2.83Å | ||
| 143 | A | 43.6 | Very low | 52 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 91% | 0.909 | 65% | 0.646 | S | S | * | * | trans | -63 | 81.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L141 Y145 | L141-A143 PolarHBondContact O-N 3.42Å; A143-Y145 PolarHBondContact O-N 3.23Å | ||
| 144 | Y | 51.2 | Low | 53.2 | Low | 162 Ų | 162 | 116.7 Ų | 116.7 | 64% | 0.635 | 64% | 0.643 | S | S | * | * | trans | -76.1 | 104.6 | 165.6 | 44.9 | -93.1 | 0 | 0 | 0 | 107.7 | P142 L146 | P142-Y144 WeakPolarHBondContact O-CD1 3.23Å; P142-Y144 WeakPolarHBondContact O-CE1 3.37Å; P142-Y144 PolarHBondContact O-N 2.83Å; Y144-L146 PolarHBondContact O-N 2.87Å | ||
| 145 | Y | 51.6 | Low | 54 | Low | 223 Ų | 223 | 114.7 Ų | 114.7 | 88% | 0.875 | 63% | 0.629 | S | S | * | * | trans | 29.9 | 69.6 | 148.8 | -151.3 | -92.2 | 0 | 0 | 0 | 115.6 | A143 | A143-Y145 PolarHBondContact O-N 3.23Š| ||
| 146 | L | 56.7 | Low | 54.6 | Low | 125 Ų | 125 | 119.5 Ų | 119.5 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | trans | -98.1 | 116.5 | 161.9 | -125.6 | 81.8 | 0 | 0 | 0 | 108 | Y144 | Y144-L146 PolarHBondContact O-N 2.87Š| ||
| 147 | D | 54.2 | Low | 55.8 | Low | 72 Ų | 72 | 116 Ų | 116 | 39% | 0.385 | 61% | 0.613 | S | S | . | * | trans | -56 | 122.3 | -179.3 | -167.5 | -35.4 | 0 | 0 | 0 | 110.5 | T149 L150 T151 | D147-T149 PolarHBondContact O-N 2.91Å; D147-T149 WeakPolarHBondContact OD1-CB 3.5Å; D147-T149 VanDerWaalsContact OD1-CG2 3.31Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.26Å; D147-T149 PolarHBondContact OD1-N 3.36Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 PolarHBondContact O-N 3.41Å; D147-T151 PolarHBondContact O-N 3.36Å | ||
| 148 | P | 67 | Low | 56.7 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.6 | -23.8 | 177.6 | -26.9 | 34.6 | 0 | 0 | 0 | 113.8 | A152 | P148-A152 VanDerWaalsContact O-CB 3.27Å; P148-A152 WeakPolarHBondContact O-CB 3.08Å; P148-A152 PolarHBondContact O-N 2.97Å |
| 149 | T | 68.4 | Low | 57.3 | Low | 92 Ų | 92 | 111 Ų | 111 | 56% | 0.564 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.3 | -38.2 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | D147 S153 | D147-T149 PolarHBondContact O-N 2.91Å; D147-T149 WeakPolarHBondContact OD1-CB 3.5Å; D147-T149 VanDerWaalsContact OD1-CG2 3.31Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.26Å; D147-T149 PolarHBondContact OD1-N 3.36Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; T149-S153 PolarHBondContact O-N 2.84Å |
| 150 | L | 65.3 | Low | 57.8 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.8 | -43.8 | 178 | -77.5 | 170.1 | 0 | 0 | 0 | 110.7 | D147 A152 S153 Y154 | D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 PolarHBondContact O-N 3.41Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.64Å; L150-S153 WeakPolarHBondContact O-CB 3.42Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 PolarHBondContact O-OG 3.03Å; L150-Y154 WeakPolarHBondContact O-CD2 2.93Å; L150-Y154 PolarHBondContact O-N 3.07Å |
| 151 | T | 66.4 | Low | 58.7 | Low | 53 Ų | 53 | 117.5 Ų | 117.5 | 33% | 0.325 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.3 | -43.9 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | D147 S153 Y154 H155 | D147-T151 PolarHBondContact O-N 3.36Å; T151-S153 VanDerWaalsContact C-N 3.31Å; T151-S153 PolarHBondContact O-N 3.43Å; T151-Y154 PolarHBondContact O-N 3.34Å; T151-H155 PolarHBondContact O-CD2 3Å; T151-H155 PolarHBondContact O-N 3.1Å |
| 152 | A | 64.7 | Low | 59.1 | Low | 44 Ų | 44 | 116.1 Ų | 116.1 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P148 L150 Y154 H155 Y156 | P148-A152 VanDerWaalsContact O-CB 3.27Å; P148-A152 WeakPolarHBondContact O-CB 3.08Å; P148-A152 PolarHBondContact O-N 2.97Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.64Å; A152-Y154 PolarHBondContact O-N 3.27Å; A152-H155 PolarHBondContact O-N 3.09Å; A152-Y156 WeakPolarHBondContact O-CD2 3.3Å; A152-Y156 PolarHBondContact O-N 3.41Å |
| 153 | S | 68.1 | Low | 59.4 | Low | 59 Ų | 59 | 116.8 Ų | 116.8 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.5 | -38.5 | 177.8 | 81 | 0 | 0 | 0 | 0 | 113 | T149 L150 T151 A157 | T149-S153 PolarHBondContact O-N 2.84Å; L150-S153 WeakPolarHBondContact O-CB 3.42Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 PolarHBondContact O-OG 3.03Å; T151-S153 VanDerWaalsContact C-N 3.31Å; T151-S153 PolarHBondContact O-N 3.43Å; S153-A157 VanDerWaalsContact O-CB 3.25Å; S153-A157 WeakPolarHBondContact O-CB 3.48Å; S153-A157 PolarHBondContact O-N 3.35Å |
| 154 | Y | 63.3 | Low | 60.1 | Low | 170 Ų | 170 | 117.2 Ų | 117.2 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.5 | -36 | 175.9 | -79.3 | -73.8 | 0 | 0 | 0 | 112.2 | L150 T151 A152 A157 A158 | L150-Y154 WeakPolarHBondContact O-CD2 2.93Å; L150-Y154 PolarHBondContact O-N 3.07Å; T151-Y154 PolarHBondContact O-N 3.34Å; A152-Y154 PolarHBondContact O-N 3.27Å; Y154-A157 PolarHBondContact O-N 3.38Å; Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 3.45Å |
| 155 | H | 61.5 | Low | 60.4 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.5 | -41.1 | 174.9 | -82.2 | -106 | 0 | 0 | 0 | 112 | T151 A152 A157 D159 | T151-H155 PolarHBondContact O-CD2 3Å; T151-H155 PolarHBondContact O-N 3.1Å; A152-H155 PolarHBondContact O-N 3.09Å; H155-A157 PolarHBondContact O-N 3.23Å; H155-D159 PolarHBondContact O-N 3.3Å |
| 156 | Y | 57.5 | Low | 60.4 | Low | 190 Ų | 190 | 108.4 Ų | 108.4 | 75% | 0.745 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.1 | -32.2 | 173.6 | -83.8 | -71.6 | 0 | 0 | 0 | 113.4 | A152 | A152-Y156 WeakPolarHBondContact O-CD2 3.3Å; A152-Y156 PolarHBondContact O-N 3.41Å |
| 157 | A | 61.5 | Low | 60.6 | Low | 50 Ų | 50 | 109.2 Ų | 109.2 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77.5 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S153 Y154 H155 R160 F161 | S153-A157 VanDerWaalsContact O-CB 3.25Å; S153-A157 WeakPolarHBondContact O-CB 3.48Å; S153-A157 PolarHBondContact O-N 3.35Å; Y154-A157 PolarHBondContact O-N 3.38Å; H155-A157 PolarHBondContact O-N 3.23Å; A157-R160 PolarHBondContact O-N 3.19Å; A157-F161 PolarHBondContact O-N 3.16Å |
| 158 | A | 60.6 | Low | 60.7 | Low | 40 Ų | 40 | 110.8 Ų | 110.8 | 33% | 0.331 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.3 | -48.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y154 R160 F161 T162 | Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 3.45Å; A158-R160 PolarHBondContact O-N 2.91Å; A158-F161 PolarHBondContact O-N 3.42Å; A158-T162 HydrophobicContact CB-CG2 4.08Å; A158-T162 WeakPolarHBondContact O-CB 3.36Å; A158-T162 WeakPolarHBondContact O-CG2 3.34Å; A158-T162 PolarHBondContact O-N 3.16Å; A158-T162 PolarHBondContact O-OG1 3.02Å |
| 159 | D | 58.3 | Low | 60 | Low | 131 Ų | 131 | 107.3 Ų | 107.3 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -18.9 | -179.7 | -81.9 | -20.7 | 0 | 0 | 0 | 114.4 | H155 | H155-D159 PolarHBondContact O-N 3.3Å |
| 160 | R | 58.1 | Low | 59.3 | Low | 219 Ų | 219 | 106.5 Ų | 106.5 | 83% | 0.826 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -84.6 | -20.7 | 173 | -78.1 | -168 | -173.4 | -169.7 | 5.2 | 114.2 | A157 A158 | A157-R160 PolarHBondContact O-N 3.19Å; A158-R160 PolarHBondContact O-N 2.91Å |
| 161 | F | 58.4 | Low | 58.7 | Low | 182 Ų | 182 | 111.1 Ų | 111.1 | 80% | 0.798 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -119.8 | -16.2 | -172.8 | -83.7 | -84 | 0 | 0 | 0 | 114.6 | A157 A158 | A157-F161 PolarHBondContact O-N 3.16Å; A158-F161 PolarHBondContact O-N 3.42Å |
| 162 | T | 57.8 | Low | 58.3 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 55% | 0.546 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -90.3 | -3.2 | -174.5 | 54.6 | 0 | 0 | 0 | 0 | 115 | A158 P164 | A158-T162 HydrophobicContact CB-CG2 4.08Å; A158-T162 WeakPolarHBondContact O-CB 3.36Å; A158-T162 WeakPolarHBondContact O-CG2 3.34Å; A158-T162 PolarHBondContact O-N 3.16Å; A158-T162 PolarHBondContact O-OG1 3.02Å; T162-P164 VanDerWaalsContact C-CD 3.45Å; T162-P164 VanDerWaalsContact O-CD 3.3Å; T162-P164 WeakPolarHBondContact O-CD 3.28Å |
| 163 | N | 53.4 | Low | 57.9 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -121.4 | 74.7 | 178.7 | -117.7 | 2.2 | 0 | 0 | 0 | 113.1 | L165 | N163-L165 PolarHBondContact O-N 3.38Š| ||
| 164 | P | 57 | Low | 57.1 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 10.9 | 176.9 | 30.1 | -33.8 | 0 | 0 | 0 | 114.1 | T162 | T162-P164 VanDerWaalsContact C-CD 3.45Å; T162-P164 VanDerWaalsContact O-CD 3.3Å; T162-P164 WeakPolarHBondContact O-CD 3.28Å |
| 165 | L | 58.7 | Low | 56.9 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 3.6 | -176.8 | -76.1 | 165.9 | 0 | 0 | 0 | 114.3 | N163 L167 | N163-L165 PolarHBondContact O-N 3.38Å; L165-L167 PolarHBondContact O-N 3.05Å |
| 166 | D | 52.3 | Low | 57.2 | Low | 55 Ų | 55 | 118.4 Ų | 118.4 | 29% | 0.294 | 61% | 0.61 | S | S | . | * | trans | -82.6 | 64.9 | 176.4 | -157.3 | -5.3 | 0 | 0 | 0 | 111.4 | N168 A169 A170 R172 | D166-N168 PolarHBondContact O-N 3.42Å; D166-N168 VanDerWaalsContact OD1-C 3.29Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.33Å; D166-N168 PolarHBondContact OD1-N 3.24Å; D166-A169 HydrophobicContact CB-CB 3.92Å; D166-A169 VanDerWaalsContact CG-CB 3.48Å; D166-A169 WeakPolarHBondContact O-CB 3.4Å; D166-A169 PolarHBondContact O-N 2.96Å; D166-A169 PolarHBondContact OD1-N 3.02Å; D166-A169 WeakPolarHBondContact OD2-CB 3.38Å; D166-A170 PolarHBondContact O-N 3.33Å; D166-R172 IonicContact OD1-NH2 3.68Å; D166-R172 IonicContact OD2-NH2 2.75Å; D166-R172 PolarHBondContact OD2-NH2 3.18Å | ||
| 167 | L | 61 | Low | 57.8 | Low | 141 Ų | 141 | 118.2 Ų | 118.2 | 74% | 0.738 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.8 | -19.4 | 164.1 | -88.3 | 103.9 | 0 | 0 | 0 | 111.5 | L165 R171 | L165-L167 PolarHBondContact O-N 3.05Å; L167-R171 PolarHBondContact O-N 3.15Å |
| 168 | N | 55.6 | Low | 58.5 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.8 | -19.9 | 176.9 | -153.5 | 35.6 | 0 | 0 | 0 | 112.7 | D166 R172 | D166-N168 PolarHBondContact O-N 3.42Å; D166-N168 VanDerWaalsContact OD1-C 3.29Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.33Å; D166-N168 PolarHBondContact OD1-N 3.24Å; N168-R172 WeakPolarHBondContact O-CG 3.26Å; N168-R172 PolarHBondContact O-NE 3.03Å; N168-R172 VanDerWaalsContact O-NE 3.09Å |
| 169 | A | 52.9 | Low | 59.5 | Low | 31 Ų | 31 | 121.9 Ų | 121.9 | 26% | 0.256 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -78.2 | -33.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.5 | D166 R171 R172 | D166-A169 HydrophobicContact CB-CB 3.92Å; D166-A169 VanDerWaalsContact CG-CB 3.48Å; D166-A169 WeakPolarHBondContact O-CB 3.4Å; D166-A169 PolarHBondContact O-N 2.96Å; D166-A169 PolarHBondContact OD1-N 3.02Å; D166-A169 WeakPolarHBondContact OD2-CB 3.38Å; A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 3.47Å |
| 170 | A | 52.3 | Low | 61.1 | Low | 75 Ų | 75 | 116.3 Ų | 116.3 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -31.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D166 R172 | D166-A170 PolarHBondContact O-N 3.33Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.42Å |
| 171 | R | 53.5 | Low | 62.8 | Low | 192 Ų | 192 | 107.7 Ų | 107.7 | 73% | 0.725 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -14.3 | 174 | -136.2 | 176.2 | -166.5 | -109.3 | 1.9 | 114.4 | L167 A169 K173 | L167-R171 PolarHBondContact O-N 3.15Å; A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 2.86Å; R171-K173 PolarHBondContact O-N 3.46Å |
| 172 | R | 57.8 | Low | 64.4 | Low | 168 Ų | 168 | 99.3 Ų | 99.3 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 11.8 | -173.5 | -85.9 | -177.2 | -79.3 | 157.7 | -6.2 | 114.5 | D166 N168 A169 A170 | D166-R172 IonicContact OD1-NH2 3.68Å; D166-R172 IonicContact OD2-NH2 2.75Å; D166-R172 PolarHBondContact OD2-NH2 3.18Å; N168-R172 WeakPolarHBondContact O-CG 3.26Å; N168-R172 PolarHBondContact O-NE 3.03Å; N168-R172 VanDerWaalsContact O-NE 3.09Å; A169-R172 PolarHBondContact O-N 3.47Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.42Å |
| 173 | K | 57.2 | Low | 66.2 | Low | 161 Ų | 161 | 95 Ų | 95 | 70% | 0.7 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -117.9 | 114.2 | -169.9 | -73.7 | -177 | -176 | 178.5 | 0 | 111.9 | R171 | R171-K173 PolarHBondContact O-N 3.46Š|
| 174 | N | 49.9 | Very low | 68.2 | Low | 130 Ų | 130 | 94.9 Ų | 94.9 | 70% | 0.695 | 49% | 0.491 | S | S | * | . | trans | 75.8 | 83.3 | 159.9 | -46.7 | 75 | 0 | 0 | 0 | 117.1 | T176 | N174-T176 HydrophobicContact CB-CG2 4.39Å; N174-T176 PolarHBondContact O-N 3.07Å | ||
| 175 | A | 59.7 | Low | 70 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 65% | 0.653 | 47% | 0.465 | S | S | * | . | trans | -62.7 | 96.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | T180 | A175-T180 HydrophobicContact CB-CG2 4.41Š| ||
| 176 | T | 68.5 | Low | 71.8 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | trans | -60.9 | 150.1 | 178 | 61.7 | 0 | 0 | 0 | 0 | 108.9 | N174 E178 T179 | N174-T176 HydrophobicContact CB-CG2 4.39Å; N174-T176 PolarHBondContact O-N 3.07Å; T176-E178 PolarHBondContact O-N 3.29Å; T176-E178 VanDerWaalsContact O-N 3.11Å; T176-T179 PolarHBondContact N-OG1 2.89Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 PolarHBondContact O-OG1 2.78Å; T176-T179 WeakPolarHBondContact OG1-CG2 3.14Å; T176-T179 PolarHBondContact OG1-N 3.41Å | ||
| 177 | R | 69.7 | Low | 73.9 | Confident | 186 Ų | 186 | 82 Ų | 82 | 70% | 0.702 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -39.2 | 176.6 | -178.2 | 174.7 | 175.4 | -84.8 | 6.5 | 110.8 | T180 A181 | R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 PolarHBondContact O-OG1 3.08Å; R177-T180 VanDerWaalsContact O-OG1 3.09Å; R177-A181 PolarHBondContact O-N 2.93Å |
| 178 | E | 75 | Confident | 75.4 | Confident | 126 Ų | 126 | 82.7 Ų | 82.7 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -63.8 | -38 | 176.5 | -52.1 | -44 | 128.5 | 0 | 0 | 113.8 | T176 T180 A181 | T176-E178 PolarHBondContact O-N 3.29Å; T176-E178 VanDerWaalsContact O-N 3.11Å; E178-T180 PolarHBondContact O-N 3.48Å; E178-A181 PolarHBondContact O-N 3.05Å |
| 179 | T | 83.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 25% | 0.252 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -64.7 | -24.5 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112.3 | T176 T208 | T176-T179 PolarHBondContact N-OG1 2.89Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 PolarHBondContact O-OG1 2.78Å; T176-T179 WeakPolarHBondContact OG1-CG2 3.14Å; T176-T179 PolarHBondContact OG1-N 3.41Å; T179-T208 VanDerWaalsContact O-CB 3.23Å; T179-T208 WeakPolarHBondContact O-CB 3.37Å; T179-T208 WeakPolarHBondContact O-CG2 3.2Å |
| 180 | T | 91.5 | Very high | 79.1 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 8% | 0.08 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -101.4 | -2.6 | -178.5 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | A175 R177 E178 A182 L183 K184 | A175-T180 HydrophobicContact CB-CG2 4.41Å; R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 PolarHBondContact O-OG1 3.08Å; R177-T180 VanDerWaalsContact O-OG1 3.09Å; E178-T180 PolarHBondContact O-N 3.48Å; T180-A182 PolarHBondContact O-N 3.09Å; T180-L183 HydrophobicContact CG2-CD1 4.34Å; T180-L183 WeakPolarHBondContact O-CB 3.48Å; T180-L183 PolarHBondContact O-N 3.36Å; T180-L183 VanDerWaalsContact O-N 3.11Å; T180-K184 WeakPolarHBondContact O-CG 3.32Å; T180-K184 PolarHBondContact O-N 3.29Å |
| 181 | A | 92.8 | Very high | 80.9 | Confident | 39 Ų | 39 | 83.3 Ų | 83.3 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.1 | -47.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R177 E178 L183 K184 A185 | R177-A181 PolarHBondContact O-N 2.93Å; E178-A181 PolarHBondContact O-N 3.05Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.05Å; A181-K184 PolarHBondContact O-N 2.77Å; A181-A185 PolarHBondContact O-N 3.11Å |
| 182 | A | 92.7 | Very high | 82.6 | Confident | 5 Ų | 5 | 83.1 Ų | 83.1 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T180 W186 L204 I207 T208 | T180-A182 PolarHBondContact O-N 3.09Å; A182-W186 WeakPolarHBondContact O-CB 3.13Å; A182-W186 PolarHBondContact O-N 3.25Å; A182-L204 HydrophobicContact CB-CD2 4.42Å; A182-I207 HydrophobicContact CB-CG2 3.74Å; A182-T208 HydrophobicContact CB-CG2 4.42Å |
| 183 | L | 96.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.1 | -60.1 | 172.3 | 0 | 0 | 0 | 111.6 | T180 A181 L187 L204 T208 M210 V215 W218 F219 | T180-L183 HydrophobicContact CG2-CD1 4.34Å; T180-L183 WeakPolarHBondContact O-CB 3.48Å; T180-L183 PolarHBondContact O-N 3.36Å; T180-L183 VanDerWaalsContact O-N 3.11Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.05Å; L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 PolarHBondContact O-N 3.35Å; L183-L204 HydrophobicContact CD2-CB 3.88Å; L183-L204 HydrophobicContact CD2-CD1 4.11Å; L183-L204 HydrophobicContact CD2-CD2 4.18Å; L183-L204 HydrophobicContact CD2-CG 4.28Å; L183-T208 HydrophobicContact CD1-CG2 4.05Å; L183-T208 HydrophobicContact CD2-CG2 3.91Å; L183-T208 HydrophobicContact CG-CG2 3.64Å; L183-M210 HydrophobicContact CD1-SD 3.94Å; L183-V215 HydrophobicContact CD2-CG1 4.06Å; L183-W218 HydrophobicContact CB-CD2 4.14Å; L183-W218 HydrophobicContact CB-CE3 3.9Å; L183-W218 HydrophobicContact CB-CH2 3.52Å; L183-W218 HydrophobicContact CB-CZ2 3.73Å; L183-W218 HydrophobicContact CB-CZ3 3.61Å; L183-W218 HydrophobicContact CD1-CD2 3.68Å; L183-W218 HydrophobicContact CD1-CE3 4.09Å; L183-W218 HydrophobicContact CD1-CG 3.86Å; L183-W218 HydrophobicContact CD1-CZ2 4.39Å; L183-W218 HydrophobicContact CG-CD2 4.44Å; L183-W218 HydrophobicContact CG-CE3 4.4Å; L183-F219 HydrophobicContact CD2-CE2 3.8Å; L183-F219 HydrophobicContact CD2-CZ 4.34Å |
| 184 | K | 94.3 | Very high | 86.1 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 177.8 | -69 | 178.3 | -178.1 | 179.4 | 0 | 111.8 | T180 A181 L187 Y188 W218 | T180-K184 WeakPolarHBondContact O-CG 3.32Å; T180-K184 PolarHBondContact O-N 3.29Å; A181-K184 PolarHBondContact O-N 2.77Å; K184-L187 PolarHBondContact O-N 3.25Å; K184-Y188 PolarHBondContact O-N 2.95Å; K184-W218 HydrophobicContact CG-CH2 4.29Å; K184-W218 HydrophobicContact CG-CZ2 4.1Å |
| 185 | A | 94.7 | Very high | 88.3 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A181 L187 Y188 E189 W384 | A181-A185 PolarHBondContact O-N 3.11Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 2.94Å; A185-Y188 WeakPolarHBondContact O-CB 3.16Å; A185-Y188 PolarHBondContact O-N 3.41Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; A185-E189 PolarHBondContact O-N 3.17Å; A185-W384 HydrophobicContact CB-CB 3.92Å |
| 186 | W | 96.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.3 | -172.6 | 96.2 | 0 | 0 | 0 | 111.8 | A182 Y188 E189 H190 P196 E200 L204 F219 W384 | A182-W186 WeakPolarHBondContact O-CB 3.13Å; A182-W186 PolarHBondContact O-N 3.25Å; W186-Y188 VanDerWaalsContact C-N 3.31Å; W186-Y188 PolarHBondContact O-N 3.31Å; W186-E189 PolarHBondContact O-N 3.28Å; W186-H190 HydrophobicContact CD2-CB 4.31Å; W186-H190 AromaticContact CD2-ND1 3.78Å; W186-H190 AromaticContact CE2-CE1 3.88Å; W186-H190 AromaticContact CE2-CG 3.69Å; W186-H190 AromaticContact CE2-ND1 3.47Å; W186-H190 HydrophobicContact CE3-CB 3.99Å; W186-H190 HydrophobicContact CH2-CB 3.51Å; W186-H190 AromaticContact CH2-CG 3.7Å; W186-H190 HydrophobicContact CZ2-CB 3.85Å; W186-H190 AromaticContact CZ2-CD2 3.71Å; W186-H190 AromaticContact CZ2-CG 3.46Å; W186-H190 VanDerWaalsContact CZ2-CG 3.46Å; W186-H190 AromaticContact CZ2-ND1 3.76Å; W186-H190 HydrophobicContact CZ3-CB 3.61Å; W186-H190 AromaticContact NE1-CE1 3.66Å; W186-H190 AromaticContact NE1-ND1 3.63Å; W186-H190 WeakPolarHBondContact O-CB 3.47Å; W186-H190 PolarHBondContact O-N 3.14Å; W186-H190 PolarHBondContact O-ND1 3.19Å; W186-P196 VanDerWaalsContact CH2-CA 3.41Å; W186-P196 HydrophobicContact CH2-CB 3.61Å; W186-P196 HydrophobicContact CH2-CG 4.15Å; W186-P196 VanDerWaalsContact CH2-N 3.32Å; W186-P196 VanDerWaalsContact CZ2-CA 3.44Å; W186-P196 HydrophobicContact CZ2-CB 3.56Å; W186-P196 HydrophobicContact CZ3-CB 4.1Å; W186-P196 HydrophobicContact CZ3-CG 4.28Å; W186-E200 PolarHBondContact NE1-OE1 3.27Å; W186-L204 HydrophobicContact CB-CD1 4.33Å; W186-L204 HydrophobicContact CB-CD2 4.22Å; W186-L204 HydrophobicContact CD2-CD1 4.32Å; W186-L204 HydrophobicContact CG-CD1 4Å; W186-F219 HydrophobicContact CD2-CE1 4.32Å; W186-F219 HydrophobicContact CD2-CZ 4.07Å; W186-F219 HydrophobicContact CE3-CD1 4.44Å; W186-F219 AromaticContact CE3-CE1 3.28Å; W186-F219 HydrophobicContact CE3-CE1 3.28Å; W186-F219 AromaticContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CE3-CZ 3.45Å; W186-F219 VanDerWaalsContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CZ3-CD1 4.24Å; W186-F219 AromaticContact CZ3-CE1 3.45Å; W186-F219 HydrophobicContact CZ3-CE1 3.45Å; W186-F219 VanDerWaalsContact CZ3-CE1 3.45Å; W186-F219 AromaticContact CZ3-CZ 3.97Å; W186-F219 HydrophobicContact CZ3-CZ 3.97Å; W186-W384 HydrophobicContact CB-CD2 4.44Å; W186-W384 HydrophobicContact CB-CG 4.46Å; W186-W384 AromaticContact CD1-CD2 3.85Å; W186-W384 AromaticContact CD1-CE2 3.52Å; W186-W384 AromaticContact CD1-CH2 3.72Å; W186-W384 AromaticContact CD1-CZ2 3.46Å; W186-W384 VanDerWaalsContact CD1-CZ2 3.46Å; W186-W384 AromaticContact NE1-CZ2 3.85Å |
| 187 | L | 95.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 179.2 | -176.8 | 66.9 | 0 | 0 | 0 | 112.7 | L183 K184 A185 H190 R191 P194 W218 F219 A222 | L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 PolarHBondContact O-N 3.35Å; K184-L187 PolarHBondContact O-N 3.25Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 2.94Å; L187-H190 CarbonylContact O-C 3.5Å; L187-R191 WeakPolarHBondContact O-CG 3.17Å; L187-R191 PolarHBondContact O-N 3.43Å; L187-P194 HydrophobicContact CD1-CB 3.59Å; L187-W218 HydrophobicContact CD2-CH2 4.13Å; L187-W218 HydrophobicContact CD2-CZ3 4.38Å; L187-F219 HydrophobicContact CD1-CE1 4.34Å; L187-A222 HydrophobicContact CD2-CB 3.96Å |
| 188 | Y | 92.6 | Very high | 92.7 | Very high | 157 Ų | 157 | 69.8 Ų | 69.8 | 62% | 0.616 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.2 | -39.8 | 175.2 | -177.5 | -89.7 | 0 | 0 | 0 | 111.8 | K184 A185 W186 R191 | K184-Y188 PolarHBondContact O-N 2.95Å; A185-Y188 WeakPolarHBondContact O-CB 3.16Å; A185-Y188 PolarHBondContact O-N 3.41Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; W186-Y188 VanDerWaalsContact C-N 3.31Å; W186-Y188 PolarHBondContact O-N 3.31Å; Y188-R191 VanDerWaalsContact CD2-CZ 3.47Å; Y188-R191 VanDerWaalsContact CE2-NH2 3.3Å; Y188-R191 WeakPolarHBondContact O-CG 2.94Å |
| 189 | E | 94.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 176.7 | -167.6 | 174.1 | 153.4 | 0 | 0 | 111.5 | A185 W186 R191 N382 W384 | A185-E189 PolarHBondContact O-N 3.17Å; W186-E189 PolarHBondContact O-N 3.28Å; E189-R191 PolarHBondContact O-N 2.92Å; E189-N382 PolarHBondContact OE1-ND2 3.13Å; E189-W384 PolarHBondContact OE2-NE1 3.02Å |
| 190 | H | 92.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 64.4 Ų | 64.4 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 37.7 | -177.2 | -64.3 | 77 | 0 | 0 | 0 | 113 | W186 L187 K192 N193 P194 E200 | W186-H190 HydrophobicContact CD2-CB 4.31Å; W186-H190 AromaticContact CD2-ND1 3.78Å; W186-H190 AromaticContact CE2-CE1 3.88Å; W186-H190 AromaticContact CE2-CG 3.69Å; W186-H190 AromaticContact CE2-ND1 3.47Å; W186-H190 HydrophobicContact CE3-CB 3.99Å; W186-H190 HydrophobicContact CH2-CB 3.51Å; W186-H190 AromaticContact CH2-CG 3.7Å; W186-H190 HydrophobicContact CZ2-CB 3.85Å; W186-H190 AromaticContact CZ2-CD2 3.71Å; W186-H190 AromaticContact CZ2-CG 3.46Å; W186-H190 VanDerWaalsContact CZ2-CG 3.46Å; W186-H190 AromaticContact CZ2-ND1 3.76Å; W186-H190 HydrophobicContact CZ3-CB 3.61Å; W186-H190 AromaticContact NE1-CE1 3.66Å; W186-H190 AromaticContact NE1-ND1 3.63Å; W186-H190 WeakPolarHBondContact O-CB 3.47Å; W186-H190 PolarHBondContact O-N 3.14Å; W186-H190 PolarHBondContact O-ND1 3.19Å; L187-H190 CarbonylContact O-C 3.5Å; H190-K192 PolarHBondContact O-N 2.99Å; H190-N193 CarbonylContact O-C 3.59Å; H190-N193 VanDerWaalsContact O-C 3.25Å; H190-N193 PolarHBondContact O-N 2.66Å; H190-P194 WeakPolarHBondContact O-CA 2.82Å; H190-E200 IonicContact NE2-OE1 3.89Å |
| 191 | R | 90.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.7 | 176.7 | -64.2 | -97.9 | -140.1 | -146.1 | 8.7 | 113.5 | L187 Y188 E189 M232 W234 | L187-R191 WeakPolarHBondContact O-CG 3.17Å; L187-R191 PolarHBondContact O-N 3.43Å; Y188-R191 VanDerWaalsContact CD2-CZ 3.47Å; Y188-R191 VanDerWaalsContact CE2-NH2 3.3Å; Y188-R191 WeakPolarHBondContact O-CG 2.94Å; E189-R191 PolarHBondContact O-N 2.92Å; R191-M232 HydrophobicContact CB-CE 4.08Å; R191-M232 HydrophobicContact CB-SD 4.06Å; R191-M232 VanDerWaalsContact O-CE 3.32Å; R191-M232 WeakPolarHBondContact O-CE 3.15Å; R191-M232 WeakPolarHBondContact O-CG 3.25Å; R191-W234 WeakPolarHBondContact O-CH2 3.05Å; R191-W234 WeakPolarHBondContact O-CZ2 3.33Å |
| 192 | K | 89.3 | Confident | 94.7 | Very high | 188 Ų | 188 | 68.5 Ų | 68.5 | 82% | 0.817 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.9 | 177.4 | -65.9 | -173 | -177.6 | -177.6 | 0 | 115 | H190 M232 W234 | H190-K192 PolarHBondContact O-N 2.99Å; K192-M232 HydrophobicContact CG-CE 4.13Å; K192-W234 WeakPolarHBondContact O-CZ3 3.23Å |
| 193 | N | 91.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | trans | -157.5 | 88.2 | 168 | -170.6 | 21.7 | 0 | 0 | 0 | 110.2 | H190 Y195 W234 | H190-N193 CarbonylContact O-C 3.59Å; H190-N193 VanDerWaalsContact O-C 3.25Å; H190-N193 PolarHBondContact O-N 2.66Å; N193-Y195 PolarHBondContact O-N 3.36Å; N193-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; N193-W234 VanDerWaalsContact N-CZ3 3.27Å | ||
| 194 | P | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -88 | 38.5 | -167.4 | 39.6 | -20.6 | 0 | 0 | 0 | 109.4 | L187 H190 P196 R223 W234 | L187-P194 HydrophobicContact CD1-CB 3.59Å; H190-P194 WeakPolarHBondContact O-CA 2.82Å; P194-P196 VanDerWaalsContact O-CD 3.24Å; P194-P196 WeakPolarHBondContact O-CD 3.41Å; P194-R223 HydrophobicContact CB-CG 4.05Å; P194-R223 HydrophobicContact CG-CG 3.62Å; P194-R223 WeakPolarHBondContact O-CD 3.47Å; P194-W234 HydrophobicContact CB-CH2 3.97Å; P194-W234 HydrophobicContact CB-CZ2 3.92Å; P194-W234 VanDerWaalsContact CD-CZ2 3.5Å; P194-W234 HydrophobicContact CG-CD2 4.38Å; P194-W234 HydrophobicContact CG-CE3 4.49Å; P194-W234 HydrophobicContact CG-CH2 3.31Å; P194-W234 HydrophobicContact CG-CZ2 3.22Å; P194-W234 HydrophobicContact CG-CZ3 3.99Å | ||
| 195 | Y | 97.3 | Very high | 94.9 | Very high | 146 Ų | 146 | 65.3 Ų | 65.3 | 57% | 0.573 | 31% | 0.31 | S | S | * | . | trans | -106.7 | 89.1 | 179.1 | -71.4 | -105.4 | 0 | 0 | 0 | 107.2 | N193 T197 R223 | N193-Y195 PolarHBondContact O-N 3.36Å; N193-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; Y195-T197 PolarHBondContact O-N 3.03Å; Y195-R223 PolarHBondContact OH-NH1 3Å | ||
| 196 | P | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 7% | 0.065 | 31% | 0.311 | C | S | . | . | trans | -62.8 | 138.8 | -179.8 | 23.7 | -32.3 | 0 | 0 | 0 | 110.4 | W186 P194 E200 K201 F219 | W186-P196 VanDerWaalsContact CH2-CA 3.41Å; W186-P196 HydrophobicContact CH2-CB 3.61Å; W186-P196 HydrophobicContact CH2-CG 4.15Å; W186-P196 VanDerWaalsContact CH2-N 3.32Å; W186-P196 VanDerWaalsContact CZ2-CA 3.44Å; W186-P196 HydrophobicContact CZ2-CB 3.56Å; W186-P196 HydrophobicContact CZ3-CB 4.1Å; W186-P196 HydrophobicContact CZ3-CG 4.28Å; P194-P196 VanDerWaalsContact O-CD 3.24Å; P194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-E200 HydrophobicContact CB-CB 4.09Å; P196-K201 HydrophobicContact CB-CG 3.89Å; P196-K201 HydrophobicContact CG-CD 4.42Å; P196-K201 HydrophobicContact CG-CG 3.74Å; P196-K201 VanDerWaalsContact O-CE 3.26Å; P196-K201 WeakPolarHBondContact O-CE 3.39Å; P196-F219 HydrophobicContact CG-CD1 4.07Å; P196-F219 HydrophobicContact CG-CD2 3.79Å; P196-F219 HydrophobicContact CG-CE1 4.15Å; P196-F219 HydrophobicContact CG-CE2 3.86Å; P196-F219 HydrophobicContact CG-CG 3.9Å; P196-F219 HydrophobicContact CG-CZ 4.05Å | ||
| 197 | T | 97 | Very high | 94.7 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | trans | -63.1 | 166.3 | 174.7 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | Y195 G199 E200 K201 | Y195-T197 PolarHBondContact O-N 3.03Å; T197-G199 VanDerWaalsContact C-N 3.26Å; T197-G199 PolarHBondContact O-N 3.41Å; T197-E200 WeakPolarHBondContact CB-OE2 3.36Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.5Å; T197-E200 PolarHBondContact N-OE2 3.26Å; T197-E200 PolarHBondContact O-N 3.47Å; T197-E200 VanDerWaalsContact OG1-CD 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.13Å; T197-E200 PolarHBondContact OG1-OE2 2.93Å; T197-K201 WeakPolarHBondContact O-CG 3.26Å; T197-K201 PolarHBondContact O-N 3.37Å | ||
| 198 | K | 96.8 | Very high | 94.6 | Very high | 177 Ų | 177 | 66.4 Ų | 66.4 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.3 | -41.5 | 177.8 | -172.8 | 178.3 | 179.6 | -177.1 | 0 | 111.6 | I202 | K198-I202 HydrophobicContact CG-CD1 4.38Å; K198-I202 WeakPolarHBondContact O-CD1 3.49Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.06Å |
| 199 | G | 95.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T197 K201 I202 M203 | T197-G199 VanDerWaalsContact C-N 3.26Å; T197-G199 PolarHBondContact O-N 3.41Å; G199-K201 PolarHBondContact O-N 2.74Å; G199-I202 WeakPolarHBondContact O-CB 3.11Å; G199-I202 PolarHBondContact O-N 2.82Å; G199-I202 VanDerWaalsContact O-N 3.15Å; G199-M203 WeakPolarHBondContact O-CG 3.49Å; G199-M203 PolarHBondContact O-N 3.25Å |
| 200 | E | 96.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.5 | -68.8 | 167.9 | 126 | 0 | 0 | 112.6 | W186 H190 P196 T197 I202 M203 L204 W384 | W186-E200 PolarHBondContact NE1-OE1 3.27Å; H190-E200 IonicContact NE2-OE1 3.89Å; P196-E200 HydrophobicContact CB-CB 4.09Å; T197-E200 WeakPolarHBondContact CB-OE2 3.36Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.5Å; T197-E200 PolarHBondContact N-OE2 3.26Å; T197-E200 PolarHBondContact O-N 3.47Å; T197-E200 VanDerWaalsContact OG1-CD 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.13Å; T197-E200 PolarHBondContact OG1-OE2 2.93Å; E200-I202 VanDerWaalsContact C-N 3.27Å; E200-I202 PolarHBondContact O-N 3.01Å; E200-M203 HydrophobicContact CB-CE 4.4Å; E200-M203 HydrophobicContact CG-CE 3.95Å; E200-M203 PolarHBondContact O-N 2.97Å; E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 VanDerWaalsContact O-CG 3.25Å; E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 2.72Å; E200-W384 HydrophobicContact CG-CH2 4.24Å |
| 201 | K | 97 | Very high | 94.7 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 175 | -71.6 | -178.8 | -177.8 | 175 | 0 | 112.1 | P196 T197 G199 A205 L212 | P196-K201 HydrophobicContact CB-CG 3.89Å; P196-K201 HydrophobicContact CG-CD 4.42Å; P196-K201 HydrophobicContact CG-CG 3.74Å; P196-K201 VanDerWaalsContact O-CE 3.26Å; P196-K201 WeakPolarHBondContact O-CE 3.39Å; T197-K201 WeakPolarHBondContact O-CG 3.26Å; T197-K201 PolarHBondContact O-N 3.37Å; G199-K201 PolarHBondContact O-N 2.74Å; K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.94Å; K201-L212 HydrophobicContact CB-CD1 3.53Å; K201-L212 HydrophobicContact CD-CD1 4.45Å |
| 202 | I | 96.1 | Very high | 95 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 40% | 0.395 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -48.4 | 176.3 | -67.2 | 165.2 | 0 | 0 | 0 | 109.8 | K198 G199 E200 L204 A205 I206 | K198-I202 HydrophobicContact CG-CD1 4.38Å; K198-I202 WeakPolarHBondContact O-CD1 3.49Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.06Å; G199-I202 WeakPolarHBondContact O-CB 3.11Å; G199-I202 PolarHBondContact O-N 2.82Å; G199-I202 VanDerWaalsContact O-N 3.15Å; E200-I202 VanDerWaalsContact C-N 3.27Å; E200-I202 PolarHBondContact O-N 3.01Å; I202-L204 PolarHBondContact O-N 2.86Å; I202-A205 WeakPolarHBondContact O-CB 3.45Å; I202-A205 PolarHBondContact O-N 3.5Å; I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.43Å |
| 203 | M | 95.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 59 Ų | 59 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -54.6 | 176.5 | -68.9 | -170.4 | -68.1 | 0 | 0 | 110.4 | G199 E200 A205 I206 I207 W384 | G199-M203 WeakPolarHBondContact O-CG 3.49Å; G199-M203 PolarHBondContact O-N 3.25Å; E200-M203 HydrophobicContact CB-CE 4.4Å; E200-M203 HydrophobicContact CG-CE 3.95Å; E200-M203 PolarHBondContact O-N 2.97Å; M203-A205 VanDerWaalsContact C-N 3.31Å; M203-A205 PolarHBondContact O-N 3.15Å; M203-I206 WeakPolarHBondContact O-CB 3.49Å; M203-I206 PolarHBondContact O-N 3.42Å; M203-I207 WeakPolarHBondContact O-CG1 2.95Å; M203-I207 PolarHBondContact O-N 2.92Å; M203-W384 HydrophobicContact CE-CH2 3.86Å; M203-W384 HydrophobicContact CE-CZ3 4.26Å |
| 204 | L | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 179 | -68.6 | 170.5 | 0 | 0 | 0 | 112.9 | A182 L183 W186 E200 I202 I206 I207 T208 V215 F219 W384 | A182-L204 HydrophobicContact CB-CD2 4.42Å; L183-L204 HydrophobicContact CD2-CB 3.88Å; L183-L204 HydrophobicContact CD2-CD1 4.11Å; L183-L204 HydrophobicContact CD2-CD2 4.18Å; L183-L204 HydrophobicContact CD2-CG 4.28Å; W186-L204 HydrophobicContact CB-CD1 4.33Å; W186-L204 HydrophobicContact CB-CD2 4.22Å; W186-L204 HydrophobicContact CD2-CD1 4.32Å; W186-L204 HydrophobicContact CG-CD1 4Å; E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 VanDerWaalsContact O-CG 3.25Å; E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 2.72Å; I202-L204 PolarHBondContact O-N 2.86Å; L204-I206 VanDerWaalsContact C-N 3.29Å; L204-I206 PolarHBondContact O-N 3.29Å; L204-I207 HydrophobicContact CD2-CD1 4.36Å; L204-I207 PolarHBondContact O-N 3.27Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.47Å; L204-T208 WeakPolarHBondContact O-CG2 3.33Å; L204-T208 PolarHBondContact O-N 3.01Å; L204-T208 PolarHBondContact O-OG1 3.25Å; L204-V215 HydrophobicContact CB-CG1 4.2Å; L204-F219 HydrophobicContact CD1-CE2 3.61Å; L204-F219 HydrophobicContact CD1-CZ 3.72Å; L204-W384 HydrophobicContact CD2-CE3 4.1Å; L204-W384 HydrophobicContact CD2-CZ3 4.31Å |
| 205 | A | 95.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K201 I202 M203 K209 M210 V215 | K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.94Å; I202-A205 WeakPolarHBondContact O-CB 3.45Å; I202-A205 PolarHBondContact O-N 3.5Å; M203-A205 VanDerWaalsContact C-N 3.31Å; M203-A205 PolarHBondContact O-N 3.15Å; A205-K209 WeakPolarHBondContact O-CA 3.46Å; A205-K209 PolarHBondContact O-N 3.47Å; A205-K209 VanDerWaalsContact O-N 3.14Å; A205-M210 CarbonylContact C-O 3.25Å; A205-M210 WeakPolarHBondContact CB-O 3.45Å; A205-M210 PolarHBondContact O-N 3.18Å; A205-M210 VanDerWaalsContact O-N 3.13Å; A205-M210 VanDerWaalsContact O-O 3.07Å; A205-V215 HydrophobicContact CB-CG2 3.87Å |
| 206 | I | 94.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 178.3 | -63.5 | 164.5 | 0 | 0 | 0 | 110.9 | I202 M203 L204 K209 M392 R395 | I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.43Å; M203-I206 WeakPolarHBondContact O-CB 3.49Å; M203-I206 PolarHBondContact O-N 3.42Å; L204-I206 VanDerWaalsContact C-N 3.29Å; L204-I206 PolarHBondContact O-N 3.29Å; I206-K209 PolarHBondContact O-N 3.37Å; I206-M392 HydrophobicContact CB-CE 3.78Å; I206-M392 HydrophobicContact CB-SD 4.25Å; I206-M392 HydrophobicContact CD1-CE 3.53Å; I206-M392 HydrophobicContact CD1-SD 4.43Å; I206-M392 HydrophobicContact CG1-CE 4.25Å; I206-M392 HydrophobicContact CG2-CE 3.46Å; I206-M392 VanDerWaalsContact CG2-CE 3.46Å; I206-M392 HydrophobicContact CG2-CG 4.37Å; I206-M392 HydrophobicContact CG2-SD 3.25Å; I206-M392 WeakPolarHBondContact CG2-SD 3.12Å; I206-R395 PolarHBondContact O-NH1 3.03Å |
| 207 | I | 92.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -48.2 | -177 | -57.2 | 166 | 0 | 0 | 0 | 111.6 | A182 M203 L204 K209 A388 S391 | A182-I207 HydrophobicContact CB-CG2 3.74Å; M203-I207 WeakPolarHBondContact O-CG1 2.95Å; M203-I207 PolarHBondContact O-N 2.92Å; L204-I207 HydrophobicContact CD2-CD1 4.36Å; L204-I207 PolarHBondContact O-N 3.27Å; I207-K209 PolarHBondContact O-N 2.92Å; I207-A388 HydrophobicContact CD1-CB 3.1Å; I207-A388 HydrophobicContact CG1-CB 3.68Å; I207-S391 WeakPolarHBondContact CA-OG 3Å; I207-S391 PolarHBondContact O-OG 3.06Å |
| 208 | T | 93.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -81.1 | -8.4 | -173.6 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | T179 A182 L183 L204 M210 | T179-T208 VanDerWaalsContact O-CB 3.23Å; T179-T208 WeakPolarHBondContact O-CB 3.37Å; T179-T208 WeakPolarHBondContact O-CG2 3.2Å; A182-T208 HydrophobicContact CB-CG2 4.42Å; L183-T208 HydrophobicContact CD1-CG2 4.05Å; L183-T208 HydrophobicContact CD2-CG2 3.91Å; L183-T208 HydrophobicContact CG-CG2 3.64Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.47Å; L204-T208 WeakPolarHBondContact O-CG2 3.33Å; L204-T208 PolarHBondContact O-N 3.01Å; L204-T208 PolarHBondContact O-OG1 3.25Å; T208-M210 PolarHBondContact O-N 3.11Å; T208-M210 WeakPolarHBondContact OG1-CB 3.41Å; T208-M210 WeakPolarHBondContact OG1-CG 3.33Å; T208-M210 PolarHBondContact OG1-N 2.92Å |
| 209 | K | 93.5 | Very high | 95.7 | Very high | 130 Ų | 130 | 47.9 Ų | 47.9 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 28.4 | -172.7 | -48.5 | -171.2 | 177.7 | 171.2 | 0 | 113.1 | A205 I206 I207 R395 | A205-K209 WeakPolarHBondContact O-CA 3.46Å; A205-K209 PolarHBondContact O-N 3.47Å; A205-K209 VanDerWaalsContact O-N 3.14Å; I206-K209 PolarHBondContact O-N 3.37Å; I207-K209 PolarHBondContact O-N 2.92Å; K209-R395 VanDerWaalsContact CA-NH2 3.3Å; K209-R395 VanDerWaalsContact CG-NH2 3.33Å |
| 210 | M | 93 | Very high | 95.7 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | trans | -99.7 | 156.5 | 177.4 | -63.7 | 173.9 | 66 | 0 | 0 | 110.3 | L183 A205 T208 Q214 V215 | L183-M210 HydrophobicContact CD1-SD 3.94Å; A205-M210 CarbonylContact C-O 3.25Å; A205-M210 WeakPolarHBondContact CB-O 3.45Å; A205-M210 PolarHBondContact O-N 3.18Å; A205-M210 VanDerWaalsContact O-N 3.13Å; A205-M210 VanDerWaalsContact O-O 3.07Å; T208-M210 PolarHBondContact O-N 3.11Å; T208-M210 WeakPolarHBondContact OG1-CB 3.41Å; T208-M210 WeakPolarHBondContact OG1-CG 3.33Å; T208-M210 PolarHBondContact OG1-N 2.92Å; M210-Q214 HydrophobicContact CB-CB 3.99Å; M210-Q214 HydrophobicContact CE-CB 3.69Å; M210-V215 HydrophobicContact CB-CG2 3.93Å | ||
| 211 | T | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | trans | -69.9 | 154.3 | 170.3 | 72.1 | 0 | 0 | 0 | 0 | 110.3 | T213 Q214 V215 | T211-T213 PolarHBondContact O-N 2.92Å; T211-Q214 WeakPolarHBondContact O-CA 3.34Å; T211-Q214 WeakPolarHBondContact O-CB 3.21Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact OG1-CG 3.28Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.39Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; T211-Q214 VanDerWaalsContact OG1-N 3.12Å; T211-V215 PolarHBondContact O-N 3.17Å | ||
| 212 | L | 95.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.4 | -38.3 | 175.3 | -177.4 | 61.6 | 0 | 0 | 0 | 111.8 | K201 V215 S216 | K201-L212 HydrophobicContact CB-CD1 3.53Å; K201-L212 HydrophobicContact CD-CD1 4.45Å; L212-V215 PolarHBondContact O-N 3.19Å; L212-S216 WeakPolarHBondContact O-CB 3.3Å; L212-S216 PolarHBondContact O-N 2.87Å |
| 213 | T | 96.6 | Very high | 95.6 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.9 | -45.6 | 174.5 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | T211 V215 S216 T217 | T211-T213 PolarHBondContact O-N 2.92Å; T213-V215 PolarHBondContact O-N 3.36Å; T213-S216 PolarHBondContact O-N 3.12Å; T213-T217 WeakPolarHBondContact O-CB 3.35Å; T213-T217 PolarHBondContact O-N 2.95Å; T213-T217 PolarHBondContact O-OG1 3.17Å |
| 214 | Q | 96.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 177.3 | -75.2 | 172.4 | -36.5 | 0 | 0 | 111.7 | M210 T211 T217 W218 | M210-Q214 HydrophobicContact CB-CB 3.99Å; M210-Q214 HydrophobicContact CE-CB 3.69Å; T211-Q214 WeakPolarHBondContact O-CA 3.34Å; T211-Q214 WeakPolarHBondContact O-CB 3.21Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact OG1-CG 3.28Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.39Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; T211-Q214 VanDerWaalsContact OG1-N 3.12Å; Q214-T217 PolarHBondContact O-N 3.42Å; Q214-W218 VanDerWaalsContact O-CB 3.29Å; Q214-W218 WeakPolarHBondContact O-CB 3.37Å; Q214-W218 PolarHBondContact O-N 2.73Å |
| 215 | V | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | L183 L204 A205 M210 T211 L212 T213 T217 W218 F219 | L183-V215 HydrophobicContact CD2-CG1 4.06Å; L204-V215 HydrophobicContact CB-CG1 4.2Å; A205-V215 HydrophobicContact CB-CG2 3.87Å; M210-V215 HydrophobicContact CB-CG2 3.93Å; T211-V215 PolarHBondContact O-N 3.17Å; L212-V215 PolarHBondContact O-N 3.19Å; T213-V215 PolarHBondContact O-N 3.36Å; V215-T217 PolarHBondContact O-N 3.04Å; V215-W218 WeakPolarHBondContact O-CB 3.32Å; V215-W218 PolarHBondContact O-N 2.76Å; V215-F219 HydrophobicContact CG1-CD2 3.8Å; V215-F219 HydrophobicContact CG1-CE2 3.82Å; V215-F219 WeakPolarHBondContact O-CD2 3.15Å; V215-F219 PolarHBondContact O-N 2.98Å |
| 216 | S | 96.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177.7 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | L212 T213 W218 F219 A220 | L212-S216 WeakPolarHBondContact O-CB 3.3Å; L212-S216 PolarHBondContact O-N 2.87Å; T213-S216 PolarHBondContact O-N 3.12Å; S216-W218 VanDerWaalsContact C-N 3.33Å; S216-W218 PolarHBondContact O-N 3.29Å; S216-F219 PolarHBondContact O-N 3.31Å; S216-A220 PolarHBondContact O-N 3.42Å |
| 217 | T | 96.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.7 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | T213 Q214 V215 A220 N221 | T213-T217 WeakPolarHBondContact O-CB 3.35Å; T213-T217 PolarHBondContact O-N 2.95Å; T213-T217 PolarHBondContact O-OG1 3.17Å; Q214-T217 PolarHBondContact O-N 3.42Å; V215-T217 PolarHBondContact O-N 3.04Å; T217-A220 PolarHBondContact O-N 3.45Å; T217-N221 PolarHBondContact O-N 3.27Å |
| 218 | W | 97.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 73.7 Ų | 73.7 | 20% | 0.201 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.8 | -173.2 | 98.7 | 0 | 0 | 0 | 111 | L183 K184 L187 Q214 V215 S216 A220 N221 A222 | L183-W218 HydrophobicContact CB-CD2 4.14Å; L183-W218 HydrophobicContact CB-CE3 3.9Å; L183-W218 HydrophobicContact CB-CH2 3.52Å; L183-W218 HydrophobicContact CB-CZ2 3.73Å; L183-W218 HydrophobicContact CB-CZ3 3.61Å; L183-W218 HydrophobicContact CD1-CD2 3.68Å; L183-W218 HydrophobicContact CD1-CE3 4.09Å; L183-W218 HydrophobicContact CD1-CG 3.86Å; L183-W218 HydrophobicContact CD1-CZ2 4.39Å; L183-W218 HydrophobicContact CG-CD2 4.44Å; L183-W218 HydrophobicContact CG-CE3 4.4Å; K184-W218 HydrophobicContact CG-CH2 4.29Å; K184-W218 HydrophobicContact CG-CZ2 4.1Å; L187-W218 HydrophobicContact CD2-CH2 4.13Å; L187-W218 HydrophobicContact CD2-CZ3 4.38Å; Q214-W218 VanDerWaalsContact O-CB 3.29Å; Q214-W218 WeakPolarHBondContact O-CB 3.37Å; Q214-W218 PolarHBondContact O-N 2.73Å; V215-W218 WeakPolarHBondContact O-CB 3.32Å; V215-W218 PolarHBondContact O-N 2.76Å; S216-W218 VanDerWaalsContact C-N 3.33Å; S216-W218 PolarHBondContact O-N 3.29Å; W218-A220 VanDerWaalsContact C-N 3.32Å; W218-A220 PolarHBondContact O-N 3.45Å; W218-N221 PolarHBondContact O-N 3.26Å; W218-A222 HydrophobicContact CE3-CB 4.06Å; W218-A222 HydrophobicContact CH2-CB 4.14Å; W218-A222 HydrophobicContact CZ3-CB 3.83Å; W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.75Å |
| 219 | F | 97.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 78.1 Ų | 78.1 | 1% | 0.013 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -35 | 176.6 | -86.8 | -75.8 | 0 | 0 | 0 | 112.8 | L183 W186 L187 P196 L204 V215 S216 R223 | L183-F219 HydrophobicContact CD2-CE2 3.8Å; L183-F219 HydrophobicContact CD2-CZ 4.34Å; W186-F219 HydrophobicContact CD2-CE1 4.32Å; W186-F219 HydrophobicContact CD2-CZ 4.07Å; W186-F219 HydrophobicContact CE3-CD1 4.44Å; W186-F219 AromaticContact CE3-CE1 3.28Å; W186-F219 HydrophobicContact CE3-CE1 3.28Å; W186-F219 AromaticContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CE3-CZ 3.45Å; W186-F219 VanDerWaalsContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CZ3-CD1 4.24Å; W186-F219 AromaticContact CZ3-CE1 3.45Å; W186-F219 HydrophobicContact CZ3-CE1 3.45Å; W186-F219 VanDerWaalsContact CZ3-CE1 3.45Å; W186-F219 AromaticContact CZ3-CZ 3.97Å; W186-F219 HydrophobicContact CZ3-CZ 3.97Å; L187-F219 HydrophobicContact CD1-CE1 4.34Å; P196-F219 HydrophobicContact CG-CD1 4.07Å; P196-F219 HydrophobicContact CG-CD2 3.79Å; P196-F219 HydrophobicContact CG-CE1 4.15Å; P196-F219 HydrophobicContact CG-CE2 3.86Å; P196-F219 HydrophobicContact CG-CG 3.9Å; P196-F219 HydrophobicContact CG-CZ 4.05Å; L204-F219 HydrophobicContact CD1-CE2 3.61Å; L204-F219 HydrophobicContact CD1-CZ 3.72Å; V215-F219 HydrophobicContact CG1-CD2 3.8Å; V215-F219 HydrophobicContact CG1-CE2 3.82Å; V215-F219 WeakPolarHBondContact O-CD2 3.15Å; V215-F219 PolarHBondContact O-N 2.98Å; S216-F219 PolarHBondContact O-N 3.31Å; F219-R223 WeakPolarHBondContact O-CB 3.34Å; F219-R223 WeakPolarHBondContact O-CG 3.43Å; F219-R223 PolarHBondContact O-N 2.85Å; F219-R223 PolarHBondContact O-NE 3.33Å; F219-R223 VanDerWaalsContact O-NE 3.13Å |
| 220 | A | 95.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 78 Ų | 78 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | S216 T217 W218 R224 | S216-A220 PolarHBondContact O-N 3.42Å; T217-A220 PolarHBondContact O-N 3.45Å; W218-A220 VanDerWaalsContact C-N 3.32Å; W218-A220 PolarHBondContact O-N 3.45Å; A220-R224 WeakPolarHBondContact O-CG 3.31Å; A220-R224 PolarHBondContact O-N 3.32Å |
| 221 | N | 96.1 | Very high | 89.9 | Confident | 65 Ų | 65 | 83 Ų | 83 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 177 | -171.9 | 10.2 | 0 | 0 | 0 | 112.2 | T217 W218 R223 R224 R225 | T217-N221 PolarHBondContact O-N 3.27Å; W218-N221 PolarHBondContact O-N 3.26Å; N221-R223 VanDerWaalsContact C-N 3.33Å; N221-R223 PolarHBondContact O-N 3.48Å; N221-R224 WeakPolarHBondContact O-CB 3.43Å; N221-R224 PolarHBondContact O-N 2.9Å; N221-R224 VanDerWaalsContact O-N 3.13Å; N221-R225 PolarHBondContact ND2-NH2 3.17Å; N221-R225 WeakPolarHBondContact O-CG 3.28Å; N221-R225 PolarHBondContact O-N 2.82Å; N221-R225 PolarHBondContact OD1-NE 3.18Å |
| 222 | A | 95 | Very high | 88 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L187 W218 R224 R225 L226 | L187-A222 HydrophobicContact CD2-CB 3.96Å; W218-A222 HydrophobicContact CE3-CB 4.06Å; W218-A222 HydrophobicContact CH2-CB 4.14Å; W218-A222 HydrophobicContact CZ3-CB 3.83Å; W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.75Å; A222-R224 PolarHBondContact O-N 3.09Å; A222-R225 WeakPolarHBondContact O-CB 3.29Å; A222-R225 PolarHBondContact O-N 3.45Å; A222-L226 WeakPolarHBondContact O-CB 3.49Å; A222-L226 PolarHBondContact O-N 3.27Å |
| 223 | R | 95.3 | Very high | 86.2 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 175.8 | -70.2 | -178.1 | -63.7 | 167.4 | 3.6 | 113.6 | P194 Y195 F219 N221 R225 L226 K227 | P194-R223 HydrophobicContact CB-CG 4.05Å; P194-R223 HydrophobicContact CG-CG 3.62Å; P194-R223 WeakPolarHBondContact O-CD 3.47Å; Y195-R223 PolarHBondContact OH-NH1 3Å; F219-R223 WeakPolarHBondContact O-CB 3.34Å; F219-R223 WeakPolarHBondContact O-CG 3.43Å; F219-R223 PolarHBondContact O-N 2.85Å; F219-R223 PolarHBondContact O-NE 3.33Å; F219-R223 VanDerWaalsContact O-NE 3.13Å; N221-R223 VanDerWaalsContact C-N 3.33Å; N221-R223 PolarHBondContact O-N 3.48Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R223-L226 PolarHBondContact O-N 3.25Å; R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.36Å |
| 224 | R | 93.9 | Very high | 84.2 | Confident | 168 Ų | 168 | 82.2 Ų | 82.2 | 63% | 0.634 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 174.1 | -70.2 | 177.5 | -163.7 | 119.8 | -2.6 | 111.2 | A220 N221 A222 K228 | A220-R224 WeakPolarHBondContact O-CG 3.31Å; A220-R224 PolarHBondContact O-N 3.32Å; N221-R224 WeakPolarHBondContact O-CB 3.43Å; N221-R224 PolarHBondContact O-N 2.9Å; N221-R224 VanDerWaalsContact O-N 3.13Å; A222-R224 PolarHBondContact O-N 3.09Å; R224-K228 PolarHBondContact O-N 3.17Å; R224-K228 VanDerWaalsContact O-N 3.11Å |
| 225 | R | 91.8 | Very high | 82 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.6 | -48.9 | 176.1 | -67 | 173.8 | -176.9 | -169.4 | -7.5 | 111.2 | N221 A222 R223 K227 K228 E229 | N221-R225 PolarHBondContact ND2-NH2 3.17Å; N221-R225 WeakPolarHBondContact O-CG 3.28Å; N221-R225 PolarHBondContact O-N 2.82Å; N221-R225 PolarHBondContact OD1-NE 3.18Å; A222-R225 WeakPolarHBondContact O-CB 3.29Å; A222-R225 PolarHBondContact O-N 3.45Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R225-K227 VanDerWaalsContact C-N 3.27Å; R225-K227 PolarHBondContact O-N 2.97Å; R225-K228 PolarHBondContact O-N 3.4Å; R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.37Å; R225-E229 PolarHBondContact O-N 2.86Å |
| 226 | L | 87 | Confident | 79.6 | Confident | 5 Ų | 5 | 88.8 Ų | 88.8 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58 | -38.4 | 178.8 | -170.8 | 59.4 | 0 | 0 | 0 | 112.7 | A222 R223 K231 M232 W234 | A222-L226 WeakPolarHBondContact O-CB 3.49Å; A222-L226 PolarHBondContact O-N 3.27Å; R223-L226 PolarHBondContact O-N 3.25Å; L226-K231 HydrophobicContact CD1-CB 4.03Å; L226-M232 HydrophobicContact CD1-CB 3.86Å; L226-M232 HydrophobicContact CD2-CB 3.95Å; L226-M232 HydrophobicContact CG-CB 3.74Å; L226-W234 HydrophobicContact CD2-CZ2 3.66Å |
| 227 | K | 82.1 | Confident | 77.2 | Confident | 166 Ų | 166 | 94.7 Ų | 94.7 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.7 | -38.2 | 174.3 | -173.3 | 176.1 | -179.1 | 178.9 | 0 | 112.6 | R223 R225 | R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.36Å; R225-K227 VanDerWaalsContact C-N 3.27Å; R225-K227 PolarHBondContact O-N 2.97Å |
| 228 | K | 81.6 | Confident | 74.4 | Confident | 195 Ų | 195 | 98.4 Ų | 98.4 | 85% | 0.848 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.4 | -37.5 | -177.7 | -174.8 | 176.2 | 179.7 | -179.7 | 0 | 112.3 | R224 R225 N230 | R224-K228 PolarHBondContact O-N 3.17Å; R224-K228 VanDerWaalsContact O-N 3.11Å; R225-K228 PolarHBondContact O-N 3.4Å; K228-N230 VanDerWaalsContact C-N 3.3Å; K228-N230 PolarHBondContact O-N 3.21Å |
| 229 | E | 69.5 | Low | 71.4 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 11.4 | -173.8 | 68.3 | -169.9 | 131.8 | 0 | 0 | 114.7 | R225 K231 | R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.37Å; R225-E229 PolarHBondContact O-N 2.86Å; E229-K231 HydrophobicContact CB-CG 4.47Å; E229-K231 HydrophobicContact CG-CB 3.94Å; E229-K231 HydrophobicContact CG-CD 3.89Å; E229-K231 HydrophobicContact CG-CG 3.81Å; E229-K231 PolarHBondContact O-N 3.48Å; E229-K231 VanDerWaalsContact OE2-CD 3.3Å; E229-K231 WeakPolarHBondContact OE2-CD 3.36Å; E229-K231 WeakPolarHBondContact OE2-CE 3.26Å |
| 230 | N | 64 | Low | 68.4 | Low | 128 Ų | 128 | 108.7 Ų | 108.7 | 68% | 0.684 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 51.3 | 7.6 | -176.5 | -159.3 | -98.1 | 0 | 0 | 0 | 115.5 | K228 M232 | K228-N230 VanDerWaalsContact C-N 3.3Å; K228-N230 PolarHBondContact O-N 3.21Å; N230-M232 PolarHBondContact O-N 3.45Å; N230-M232 VanDerWaalsContact O-N 3.09Å |
| 231 | K | 65.5 | Low | 66.3 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -71.8 | -2.7 | 179 | -66.1 | -179.3 | -166.2 | -69.7 | 0 | 113.6 | L226 E229 | L226-K231 HydrophobicContact CD1-CB 4.03Å; E229-K231 HydrophobicContact CB-CG 4.47Å; E229-K231 HydrophobicContact CG-CB 3.94Å; E229-K231 HydrophobicContact CG-CD 3.89Å; E229-K231 HydrophobicContact CG-CG 3.81Å; E229-K231 PolarHBondContact O-N 3.48Å; E229-K231 VanDerWaalsContact OE2-CD 3.3Å; E229-K231 WeakPolarHBondContact OE2-CD 3.36Å; E229-K231 WeakPolarHBondContact OE2-CE 3.26Å |
| 232 | M | 56.2 | Low | 64.2 | Low | 60 Ų | 60 | 121.3 Ų | 121.3 | 30% | 0.296 | 57% | 0.574 | S | S | . | * | trans | -162.2 | 115.7 | 168.5 | -149 | 73.8 | -172.2 | 0 | 0 | 111.8 | R191 K192 L226 N230 W234 | R191-M232 HydrophobicContact CB-CE 4.08Å; R191-M232 HydrophobicContact CB-SD 4.06Å; R191-M232 VanDerWaalsContact O-CE 3.32Å; R191-M232 WeakPolarHBondContact O-CE 3.15Å; R191-M232 WeakPolarHBondContact O-CG 3.25Å; K192-M232 HydrophobicContact CG-CE 4.13Å; L226-M232 HydrophobicContact CD1-CB 3.86Å; L226-M232 HydrophobicContact CD2-CB 3.95Å; L226-M232 HydrophobicContact CG-CB 3.74Å; N230-M232 PolarHBondContact O-N 3.45Å; N230-M232 VanDerWaalsContact O-N 3.09Å; M232-W234 HydrophobicContact CB-CZ2 4.41Å; M232-W234 HydrophobicContact CG-CZ2 3.98Å; M232-W234 VanDerWaalsContact O-CD1 3.29Å; M232-W234 PolarHBondContact O-N 3.49Å | ||
| 233 | T | 56.8 | Low | 62.2 | Low | 100 Ų | 100 | 126.4 Ų | 126.4 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | trans | -78.5 | 100 | 170.3 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | S235 | T233-S235 PolarHBondContact O-N 3.46Š| ||
| 234 | W | 55.2 | Low | 60.1 | Low | 74 Ų | 74 | 132.5 Ų | 132.5 | 28% | 0.28 | 63% | 0.631 | S | S | . | * | trans | -71.9 | 42.1 | 170.9 | -66.5 | 101.1 | 0 | 0 | 0 | 113 | R191 K192 N193 P194 L226 M232 P236 | R191-W234 WeakPolarHBondContact O-CH2 3.05Å; R191-W234 WeakPolarHBondContact O-CZ2 3.33Å; K192-W234 WeakPolarHBondContact O-CZ3 3.23Å; N193-W234 VanDerWaalsContact N-CZ3 3.27Å; P194-W234 HydrophobicContact CB-CH2 3.97Å; P194-W234 HydrophobicContact CB-CZ2 3.92Å; P194-W234 VanDerWaalsContact CD-CZ2 3.5Å; P194-W234 HydrophobicContact CG-CD2 4.38Å; P194-W234 HydrophobicContact CG-CE3 4.49Å; P194-W234 HydrophobicContact CG-CH2 3.31Å; P194-W234 HydrophobicContact CG-CZ2 3.22Å; P194-W234 HydrophobicContact CG-CZ3 3.99Å; L226-W234 HydrophobicContact CD2-CZ2 3.66Å; M232-W234 HydrophobicContact CB-CZ2 4.41Å; M232-W234 HydrophobicContact CG-CZ2 3.98Å; M232-W234 VanDerWaalsContact O-CD1 3.29Å; M232-W234 PolarHBondContact O-N 3.49Å; W234-P236 WeakPolarHBondContact O-CD 3.4Å | ||
| 235 | S | 50.5 | Low | 58 | Low | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | trans | -64.7 | 124.3 | 171.2 | -65.9 | 0 | 0 | 0 | 0 | 107.1 | T233 R237 | T233-S235 PolarHBondContact O-N 3.46Å; S235-R237 PolarHBondContact O-N 2.97Å | ||
| 236 | P | 47 | Very low | 56 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 90% | 0.896 | 65% | 0.653 | S | S | * | * | trans | -65.6 | 84.8 | 165.7 | -11.7 | 27.4 | 0 | 0 | 0 | 107 | W234 | W234-P236 WeakPolarHBondContact O-CD 3.4Š| ||
| 237 | R | 45 | Very low | 54.2 | Low | 175 Ų | 175 | 139.8 Ų | 139.8 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | trans | -112.1 | 73.5 | 173.5 | -157.4 | 173.4 | 176.9 | 150.8 | -2.2 | 107.7 | S235 R239 | S235-R237 PolarHBondContact O-N 2.97Å; R237-R239 HydrophobicContact CG-CB 3.85Å; R237-R239 HydrophobicContact CG-CG 4.44Å; R237-R239 PolarHBondContact O-N 3.44Å | ||
| 238 | N | 38.7 | Very low | 52.2 | Low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 70% | 0.702 | S | S | * | * | trans | -82.1 | 75.9 | 138 | -162 | 49.5 | 0 | 0 | 0 | 105.7 | ||||
| 239 | R | 34.5 | Very low | 50.6 | Low | 188 Ų | 188 | 138.9 Ų | 138.9 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | trans | -118.6 | 112.4 | 153.8 | -81.6 | -156.8 | 178.1 | 179.4 | 0.5 | 104.1 | R237 E241 | R237-R239 HydrophobicContact CG-CB 3.85Å; R237-R239 HydrophobicContact CG-CG 4.44Å; R237-R239 PolarHBondContact O-N 3.44Å; R239-E241 WeakPolarHBondContact O-CG 3.12Å; R239-E241 PolarHBondContact O-N 2.89Å; R239-E241 VanDerWaalsContact O-N 3.14Å | ||
| 240 | S | 35.8 | Very low | 49.6 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | trans | -21.7 | 110.2 | 166.3 | -22.9 | 0 | 0 | 0 | 0 | 111.2 | D243 | S240-D243 WeakPolarHBondContact CB-OD2 3.3Å; S240-D243 PolarHBondContact OG-OD2 2.87Å | ||
| 241 | E | 51 | Low | 49 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.5 | 16.8 | 164.2 | -48.5 | -175.7 | -174.5 | 0 | 0 | 109.1 | R239 | R239-E241 WeakPolarHBondContact O-CG 3.12Å; R239-E241 PolarHBondContact O-N 2.89Å; R239-E241 VanDerWaalsContact O-N 3.14Å |
| 242 | E | 51.2 | Low | 48.1 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -118.6 | 11.1 | -175.1 | -65.4 | -178.7 | 164.4 | 0 | 0 | 113.5 | ||
| 243 | D | 52.9 | Low | 47.7 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -111.2 | 26.9 | -178.3 | -67 | -43.8 | 0 | 0 | 0 | 114.3 | S240 | S240-D243 WeakPolarHBondContact CB-OD2 3.3Å; S240-D243 PolarHBondContact OG-OD2 2.87Å | ||
| 244 | E | 51.1 | Low | 47.3 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -97.4 | 21.1 | 174.4 | -68.9 | -155.9 | 144.1 | 0 | 0 | 114.8 | ||
| 245 | D | 50.7 | Low | 46.7 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -124.7 | 28.3 | 179.9 | -113.1 | -19 | 0 | 0 | 0 | 115.2 | ||||
| 246 | C | 50.9 | Low | 46.4 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -112.7 | 22.6 | 178.4 | -73.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 247 | Q | 48 | Very low | 46.6 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -105.8 | 63.6 | 171.6 | -72.4 | 173.5 | 9 | 0 | 0 | 111.5 | ||||
| 248 | N | 41.2 | Very low | 46.7 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -149.2 | 80.4 | 154.5 | -114.5 | -15.8 | 0 | 0 | 0 | 108.8 | ||||
| 249 | Q | 47.8 | Very low | 47 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -71.7 | 126.3 | 171.5 | -138 | -179.3 | 91.7 | 0 | 0 | 107.9 | Q251 | Q249-Q251 PolarHBondContact O-N 3.29Š| ||
| 250 | P | 48.2 | Very low | 47.4 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -73.5 | 115.4 | -176.3 | 28.6 | -31 | 0 | 0 | 0 | 109.3 | A252 | P250-A252 PolarHBondContact O-N 2.91Š| ||
| 251 | Q | 51.2 | Low | 48.3 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 122.6 | 166.7 | -75.1 | -170.8 | -39.7 | 0 | 0 | 108.8 | Q249 | Q249-Q251 PolarHBondContact O-N 3.29Š| ||
| 252 | A | 47.5 | Very low | 48.2 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | -51.9 | 136.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P250 D254 | P250-A252 PolarHBondContact O-N 2.91Å; A252-D254 PolarHBondContact O-N 3.16Å | ||
| 253 | A | 45.8 | Very low | 48 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -83.7 | 102.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 254 | D | 49.9 | Very low | 48 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -125.5 | 69.4 | 165.2 | -58.9 | -12.1 | 0 | 0 | 0 | 108.8 | A252 | A252-D254 PolarHBondContact O-N 3.16Š| ||
| 255 | G | 42.9 | Very low | 47.8 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -97 | 107.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 256 | A | 44 | Very low | 47.7 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -111.7 | 121.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 257 | S | 49.8 | Very low | 47.5 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 83.7 | 118.1 | 146.1 | -158.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 258 | S | 48.4 | Very low | 47.3 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 74.5 | 128.8 | 149 | 72.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 259 | G | 44.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | 174.9 | 165.6 | 3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 260 | A | 43.2 | Very low | 47.4 | Very low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 80.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 261 | S | 53.7 | Low | 47.3 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 50 | 160.2 | 102.2 | -114.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 262 | P | 49.5 | Very low | 46.9 | Very low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | -137 | -179.9 | -104.6 | 34.2 | -10.3 | 0 | 0 | 0 | 113.8 | |||||
| 263 | S | 47.4 | Very low | 46.8 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -165.1 | 109.9 | 156.3 | -72 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | E | 52.7 | Low | 47.1 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | 68.5 | 132.9 | 93.9 | -61 | -101.2 | 139.7 | 0 | 0 | 111.7 | |||||
| 265 | A | 47.8 | Very low | 46.9 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | cis | -177.7 | 178.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 266 | I | 47.3 | Very low | 47 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 92.3 | 93.2 | 160.4 | -49.5 | 164.6 | 0 | 0 | 0 | 114.9 | ||||
| 267 | L | 46.8 | Very low | 47.3 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | 74 | 92.4 | 81.3 | -72.1 | 160.4 | 0 | 0 | 0 | 115.3 | |||||
| 268 | N | 43.4 | Very low | 47 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 40 | 164.4 | 113 | -120.7 | 28.2 | 0 | 0 | 0 | 121.3 | |||||
| 269 | P | 46.1 | Very low | 47.1 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | -127.4 | -178.8 | -89.3 | 37.9 | -19.1 | 0 | 0 | 0 | 113.3 | |||||
| 270 | T | 46.6 | Very low | 47.2 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 146.3 | 147.2 | 137.1 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 271 | P | 44.2 | Very low | 47.4 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -104.4 | 148.8 | -168.6 | 38 | -27.4 | 0 | 0 | 0 | 113.1 | ||||
| 272 | D | 43.8 | Very low | 47 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -165.7 | 137.9 | 150.6 | -106.3 | -31.9 | 0 | 0 | 0 | 111.6 | ||||
| 273 | E | 45.2 | Very low | 47 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 77.4 | 138.9 | 147.9 | -125.2 | -177.7 | 139.7 | 0 | 0 | 121.5 | ||||
| 274 | L | 51.2 | Low | 46.9 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | trans | 109.9 | 104.1 | 151.4 | -54.5 | 178.5 | 0 | 0 | 0 | 119.3 | ||||
| 275 | E | 46.8 | Very low | 46.8 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 94.5 | 112.3 | 125.4 | -66.3 | 179.5 | -168.9 | 0 | 0 | 120.2 | |||||
| 276 | E | 44.5 | Very low | 46.6 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -60.7 | 154.4 | 160.6 | -63.6 | -93.4 | 138.7 | 0 | 0 | 111.4 | ||||
| 277 | P | 51.4 | Low | 46.7 | Very low | 125 Ų | 125 | 147 Ų | 147 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -139.9 | 146.3 | 117.4 | 33.8 | -19.3 | 0 | 0 | 0 | 115.4 | |||||
| 278 | D | 42.9 | Very low | 46.5 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 130.5 | 168.8 | -160.7 | -7.4 | 0 | 0 | 0 | 112.3 | ||||
| 279 | D | 50.4 | Low | 46.2 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -147.4 | 96 | 159.6 | -114.2 | -39.9 | 0 | 0 | 0 | 111 | ||||
| 280 | N | 46.9 | Very low | 46 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -59.9 | 133 | 165.2 | -116.9 | -26.6 | 0 | 0 | 0 | 111.8 | ||||
| 281 | K | 47.2 | Very low | 45.2 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 170.3 | 118.3 | 141.3 | -93.8 | 150.8 | -167 | 161.8 | 0 | 109.1 | ||||
| 282 | N | 44.7 | Very low | 45 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -165.4 | 89.3 | 137.8 | -86.3 | -27.4 | 0 | 0 | 0 | 108.4 | ||||
| 283 | E | 50 | Low | 44.6 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 23.9 | 103.3 | 144.9 | -3.8 | -77.8 | 110.8 | 0 | 0 | 118.4 | V285 | E283-V285 PolarHBondContact O-N 2.99Š| ||
| 284 | D | 44.9 | Very low | 44.5 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -62.6 | 112.7 | 150 | -71.2 | -66.5 | 0 | 0 | 0 | 109.6 | E286 | D284-E286 PolarHBondContact O-N 3.03Š| ||
| 285 | V | 51 | Low | 43.8 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -94.7 | 87.2 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | E283 I287 | E283-V285 PolarHBondContact O-N 2.99Å; V285-I287 HydrophobicContact CG1-CD1 4.36Å; V285-I287 HydrophobicContact CG1-CG1 3.8Å; V285-I287 PolarHBondContact O-N 3.33Å | ||
| 286 | E | 43.6 | Very low | 43.6 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 103.1 | 161.3 | -171.8 | 175.4 | -179.7 | 0 | 0 | 108.4 | D284 D288 | D284-E286 PolarHBondContact O-N 3.03Å; E286-D288 PolarHBondContact O-N 3.5Å | ||
| 287 | I | 49.7 | Very low | 43.3 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -90.9 | 91.6 | 166.1 | -57.4 | -178.1 | 0 | 0 | 0 | 106.9 | V285 | V285-I287 HydrophobicContact CG1-CD1 4.36Å; V285-I287 HydrophobicContact CG1-CG1 3.8Å; V285-I287 PolarHBondContact O-N 3.33Å | ||
| 288 | D | 41.5 | Very low | 42.6 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -102.4 | 154.2 | 161.7 | -156.4 | 6 | 0 | 0 | 0 | 110.4 | E286 | E286-D288 PolarHBondContact O-N 3.5Š| ||
| 289 | C | 37.2 | Very low | 42.4 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | 78.9 | 152.5 | 168.7 | -59.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 290 | P | 41.4 | Very low | 42 | Very low | 103 Ų | 103 | 144 Ų | 144 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -130.2 | 160 | -18 | 28.2 | -7.3 | 0 | 0 | 0 | 113.5 | V292 | P290-V292 HydrophobicContact CG-CG2 4.26Å; P290-V292 PolarHBondContact O-N 3.4Å; P290-V292 VanDerWaalsContact O-N 3.16Å | ||
| 291 | A | 31.4 | Very low | 42.2 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -55.4 | 116.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 292 | V | 39.3 | Very low | 41.7 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 53% | 0.533 | 77% | 0.774 | S | S | . | * | trans | -132.5 | 105.6 | 165.7 | -167.4 | 0 | 0 | 0 | 0 | 108.1 | P290 R294 | P290-V292 HydrophobicContact CG-CG2 4.26Å; P290-V292 PolarHBondContact O-N 3.4Å; P290-V292 VanDerWaalsContact O-N 3.16Å; V292-R294 HydrophobicContact CG1-CG 4.45Å; V292-R294 PolarHBondContact O-N 3.21Å | ||
| 293 | S | 35.9 | Very low | 41.7 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -54.1 | 120.5 | 163.1 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 294 | R | 42.6 | Very low | 41.2 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -139.6 | 103.7 | 157.1 | -73.6 | -165.4 | 176.4 | 99.3 | 0 | 109 | V292 V296 | V292-R294 HydrophobicContact CG1-CG 4.45Å; V292-R294 PolarHBondContact O-N 3.21Å; R294-V296 PolarHBondContact O-N 2.79Å | ||
| 295 | D | 36.4 | Very low | 40.9 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -48.2 | 119.8 | 157.5 | -71.2 | -87.3 | 0 | 0 | 0 | 110.4 | ||||
| 296 | V | 42.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -131 | 112.5 | 156.9 | 174 | 0 | 0 | 0 | 0 | 107.8 | R294 | R294-V296 PolarHBondContact O-N 2.79Š| ||
| 297 | K | 38.5 | Very low | 39.9 | Very low | 212 Ų | 212 | 138.9 Ų | 138.9 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 134.1 | 172.5 | -173 | 155.4 | 179.2 | 169.1 | 0 | 109 | ||||
| 298 | G | 37.4 | Very low | 39.3 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 172.5 | 76.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 299 | D | 37.2 | Very low | 39.3 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | 81.4 | 99.3 | 103.2 | -161.5 | 36.8 | 0 | 0 | 0 | 111.1 | |||||
| 300 | R | 43.3 | Very low | 39.2 | Very low | 233 Ų | 233 | 141.3 Ų | 141.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -110 | 114.8 | 172.8 | -79 | -174.3 | 176.5 | 125.4 | 2 | 106.2 | ||||
| 301 | T | 49.9 | Very low | 39.2 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -72.1 | 141 | 161.2 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 302 | D | 37.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 175.8 | -168.4 | -59 | -79.1 | 0 | 0 | 0 | 116.2 | ||||
| 303 | E | 44.6 | Very low | 39.5 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 102.1 | 116.2 | 148.3 | -50.7 | -59.9 | 70.4 | 0 | 0 | 120.7 | ||||
| 304 | E | 38.6 | Very low | 39.7 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 89.3 | 85.6 | 141.8 | -116.4 | -169 | 122.8 | 0 | 0 | 120 | V306 | E304-V306 HydrophobicContact CG-CG2 4.48Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.47Å | ||
| 305 | V | 38.4 | Very low | 39.2 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -82.1 | 104.4 | 154 | 171.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 306 | V | 42 | Very low | 39.5 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 61% | 0.606 | 80% | 0.796 | S | S | * | * | trans | -84.4 | 118 | 164.2 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | E304 | E304-V306 HydrophobicContact CG-CG2 4.48Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.47Å | ||
| 307 | S | 31.7 | Very low | 38.9 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 125.9 | 169.8 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 308 | C | 37.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -120.3 | 111.6 | 166.6 | -71.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 309 | Q | 41.6 | Very low | 39.1 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -65.9 | 133.2 | 168.3 | -70.6 | 178.4 | -3.1 | 0 | 0 | 110.3 | ||||
| 310 | V | 34.4 | Very low | 39.1 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 114.6 | 168.2 | 166.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 311 | V | 42.3 | Very low | 39.1 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126 | 168.9 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 312 | Q | 34.2 | Very low | 38.3 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.6 | 175.5 | -64.4 | -90.6 | 21.9 | 0 | 0 | 112 | ||
| 313 | P | 42.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 129.2 | 157.1 | 30.6 | -21.8 | 0 | 0 | 0 | 111.6 | ||
| 314 | K | 39.5 | Very low | 38.2 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143.2 | 179 | -169.3 | 164.2 | 179.3 | 165 | 0 | 110.6 | ||
| 315 | A | 32.5 | Very low | 38.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 140.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 316 | V | 42.4 | Very low | 38.3 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -131.9 | 121 | 160.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 317 | S | 31 | Very low | 38.2 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -104.1 | 131.1 | 177.4 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 318 | M | 42 | Very low | 38.7 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | trans | -146.9 | 88.6 | 166.2 | -78.6 | -60 | -68.4 | 0 | 0 | 110.6 | ||||
| 319 | T | 38.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | 24.3 | 116.3 | 132.4 | -31.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 320 | L | 35.4 | Very low | 38.8 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 18.7 | 132.2 | 134.4 | -78.9 | 144.6 | 0 | 0 | 0 | 120.8 | ||||
| 321 | L | 44.8 | Very low | 39.3 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | -157.8 | 122.4 | 126.9 | -103 | 144.7 | 0 | 0 | 0 | 112.2 | |||||
| 322 | N | 33.5 | Very low | 39 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 157 | 174.6 | -108.1 | 12.1 | 0 | 0 | 0 | 111.9 | ||||
| 323 | G | 37.4 | Very low | 39.4 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 163.5 | 99.7 | 149 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 324 | S | 41.6 | Very low | 39.1 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 58.4 | 151.6 | 137.2 | -78.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 325 | K | 40.4 | Very low | 39.2 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | cis | 175.6 | 154.3 | -17 | -162.2 | 178.1 | -176.1 | 171.7 | 0 | 105.3 | ||||
| 326 | R | 39.9 | Very low | 39.7 | Very low | 199 Ų | 199 | 139 Ų | 139 | 75% | 0.751 | 80% | 0.797 | S | S | * | * | trans | 95.5 | 106.3 | 156.6 | -54.8 | -172.8 | 176.3 | -154.7 | -2.6 | 117.5 | ||||
| 327 | T | 39.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | 75.6 | 137.9 | 82.6 | 84.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 328 | D | 41.5 | Very low | 40.1 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | cis | -163.6 | 162.1 | 29.1 | -91.9 | -54.2 | 0 | 0 | 0 | 111.6 | ||||
| 329 | S | 46.9 | Very low | 39.7 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 87.1 | 114.8 | 146.1 | -59 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 330 | C | 34 | Very low | 40 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -85.7 | -174.7 | 159.3 | -74.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 331 | P | 44.9 | Very low | 40.5 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | cis | -147.4 | 178 | 14.8 | 40.7 | -18.1 | 0 | 0 | 0 | 119.4 | ||||
| 332 | A | 37 | Very low | 40.4 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 71 | 111.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 333 | A | 41.2 | Very low | 41 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | 169.7 | 108.4 | 111.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 334 | R | 36.7 | Very low | 41.4 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | 39.6 | 108.4 | 136 | -130.2 | 169.4 | -171.1 | -116.8 | 2.9 | 120.6 | ||||
| 335 | S | 42.1 | Very low | 41.1 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -166.2 | 124.6 | 135.1 | 55.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 336 | E | 43.5 | Very low | 41.3 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | 60.6 | 133 | 137.5 | -57.2 | 180 | 172.3 | 0 | 0 | 123.3 | ||||
| 337 | T | 38.8 | Very low | 41.2 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -70.4 | 177.3 | -174.8 | 53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 338 | P | 41.8 | Very low | 41.4 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | -143.9 | 172.1 | 16.3 | 37 | -13.4 | 0 | 0 | 0 | 118.8 | ||||
| 339 | A | 34.2 | Very low | 41.6 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | 65.3 | 87.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 340 | K | 45.1 | Very low | 41.6 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -115.7 | 116.6 | 156 | -74.1 | 177 | -178.4 | 171.8 | 0 | 109.9 | ||||
| 341 | K | 45 | Very low | 42.1 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -58 | 134.9 | -177.9 | -59.5 | 164.9 | -179.4 | 177.2 | 0 | 110.8 | ||||
| 342 | P | 42.7 | Very low | 42.1 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -74.6 | 132.6 | 179.5 | 30.5 | -31.8 | 0 | 0 | 0 | 110.2 | ||||
| 343 | K | 45.6 | Very low | 42.4 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -90.1 | 115.2 | 179.5 | -153.3 | 157.3 | -176.6 | 174.2 | 0 | 108.6 | W345 | K343-W345 PolarHBondContact O-N 2.79Š| ||
| 344 | I | 46.5 | Very low | 42.3 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -74.9 | 30.3 | -160.7 | -56 | 158.2 | 0 | 0 | 0 | 114 | ||
| 345 | W | 36 | Very low | 42.4 | Very low | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -135.1 | 41.2 | -165.5 | -65.3 | 69.2 | 0 | 0 | 0 | 114.7 | K343 | K343-W345 PolarHBondContact O-N 2.79Š| ||
| 346 | S | 43.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -133.9 | 19.6 | -177.5 | -166.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 347 | I | 38.7 | Very low | 41.9 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -128.3 | 77.8 | 178.4 | -73.5 | 165.8 | 0 | 0 | 0 | 109 | ||||
| 348 | V | 43.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -159.9 | 61.5 | 159.6 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 349 | E | 46.5 | Very low | 41.4 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -137.1 | -10.3 | 169.9 | -98.3 | 157.6 | -159.6 | 0 | 0 | 113.8 | ||
| 350 | D | 46.6 | Very low | 41.5 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -107.6 | 15.3 | -170.3 | -63.6 | -25.6 | 0 | 0 | 0 | 116.4 | ||
| 351 | T | 43.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -119.7 | 1.4 | -176 | 46.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 352 | V | 46.2 | Very low | 40.3 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 4.2 | -174.9 | -65.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 353 | N | 41.7 | Very low | 39.7 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 9.2 | -175.7 | -96.4 | 31.7 | 0 | 0 | 0 | 115.8 | ||
| 354 | A | 40.8 | Very low | 39.2 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -115.2 | 24 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 355 | S | 38.9 | Very low | 38.6 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -139 | 52.3 | -178.5 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 356 | T | 37.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -106.3 | 141 | 153.2 | 40.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 357 | E | 37.4 | Very low | 37.9 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | 98.3 | 85.1 | 173.7 | -51.7 | 169.3 | -174.1 | 0 | 0 | 116.5 | ||||
| 358 | S | 36.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -176.5 | 92.4 | 132 | 37.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | S | 32.6 | Very low | 37.1 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -62.1 | 129.1 | 165.1 | -68.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 360 | S | 36.4 | Very low | 36.7 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -145.3 | 113.1 | 151.9 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 361 | S | 29.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -71.3 | 131.6 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 362 | S | 35.6 | Very low | 35.8 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | -144.1 | 102.5 | 164.7 | -60.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 363 | R | 29.2 | Very low | 35.2 | Very low | 232 Ų | 232 | 130.5 Ų | 130.5 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -77.1 | 113.4 | 179.7 | 175.5 | -168.9 | -87.3 | -165.9 | -5.9 | 109.2 | ||||
| 364 | W | 35.3 | Very low | 35.1 | Very low | 232 Ų | 232 | 130.2 Ų | 130.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -128 | 134.3 | 165.7 | -61.4 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 365 | S | 33.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 140.2 | -170.3 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 366 | S | 31.7 | Very low | 35.4 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 126 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 367 | A | 33.4 | Very low | 35.9 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -124.8 | 120.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 368 | T | 31.5 | Very low | 36 | Very low | 139 Ų | 139 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 122.8 | 166.2 | 32 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 369 | A | 35.4 | Very low | 36.6 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -144.2 | 143.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 370 | T | 37.6 | Very low | 37.7 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -65.2 | 154.9 | -170.6 | 42 | 0 | 0 | 0 | 0 | 114.3 | G372 | T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 VanDerWaalsContact O-N 3.13Å | ||
| 371 | A | 34.2 | Very low | 39 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 95% | 0.95 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -56.8 | 109 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 372 | G | 37.9 | Very low | 41.1 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 160.5 | 110.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108 | T370 | T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 VanDerWaalsContact O-N 3.13Å |
| 373 | D | 33.3 | Very low | 43.1 | Very low | 160 Ų | 160 | 125 Ų | 125 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | 54.4 | 84.2 | -179.8 | -85.8 | -8 | 0 | 0 | 0 | 116.5 | D375 | D373-D375 VanDerWaalsContact C-N 3.33Å; D373-D375 PolarHBondContact O-N 2.92Å | ||
| 374 | M | 39.9 | Very low | 45.6 | Very low | 150 Ų | 150 | 114.1 Ų | 114.1 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | trans | -87.5 | 79.7 | 156.9 | -76 | -165.6 | 161 | 0 | 0 | 109.6 | V376 | M374-V376 HydrophobicContact CB-CG2 4.33Å; M374-V376 PolarHBondContact O-N 3.44Å; M374-V376 VanDerWaalsContact O-N 3.09Å | ||
| 375 | D | 39.2 | Very low | 47.9 | Very low | 146 Ų | 146 | 106 Ų | 106 | 78% | 0.781 | 66% | 0.66 | S | S | * | * | trans | -80.2 | 74.9 | 162.9 | -131.6 | -10.2 | 0 | 0 | 0 | 108.3 | D373 | D373-D375 VanDerWaalsContact C-N 3.33Å; D373-D375 PolarHBondContact O-N 2.92Å | ||
| 376 | V | 46 | Very low | 50.1 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | trans | -114.5 | 99 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | M374 | M374-V376 HydrophobicContact CB-CG2 4.33Å; M374-V376 PolarHBondContact O-N 3.44Å; M374-V376 VanDerWaalsContact O-N 3.09Å | ||
| 377 | N | 47.1 | Very low | 52.2 | Low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 74.5 | 35.6 | 171.4 | -52.8 | -47.4 | 0 | 0 | 0 | 118.1 | M379 | N377-M379 VanDerWaalsContact C-N 3.27Å; N377-M379 PolarHBondContact O-N 3.24Å |
| 378 | G | 40.6 | Very low | 54.2 | Low | 69 Ų | 69 | 98 Ų | 98 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 66.1 | 24.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 379 | M | 49 | Very low | 56.3 | Low | 107 Ų | 107 | 92.6 Ų | 92.6 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | trans | -101.4 | 95.9 | 174.3 | -74.4 | 167.9 | -173.1 | 0 | 0 | 109 | N377 F381 | N377-M379 VanDerWaalsContact C-N 3.27Å; N377-M379 PolarHBondContact O-N 3.24Å; M379-F381 HydrophobicContact CB-CE2 4.23Å; M379-F381 VanDerWaalsContact O-CD2 3.28Å; M379-F381 WeakPolarHBondContact O-CD2 3.49Å; M379-F381 PolarHBondContact O-N 3.49Å | ||
| 380 | T | 56 | Low | 58.2 | Low | 131 Ų | 131 | 91.9 Ų | 91.9 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | trans | -62.8 | 105.4 | 166.1 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 381 | F | 63.3 | Low | 59.8 | Low | 99 Ų | 99 | 86.6 Ų | 86.6 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | trans | -76.2 | 124.4 | 176.2 | -76 | -82.8 | 0 | 0 | 0 | 109.6 | M379 Q385 | M379-F381 HydrophobicContact CB-CE2 4.23Å; M379-F381 VanDerWaalsContact O-CD2 3.28Å; M379-F381 WeakPolarHBondContact O-CD2 3.49Å; M379-F381 PolarHBondContact O-N 3.49Å; F381-Q385 HydrophobicContact CB-CB 4.34Å; F381-Q385 HydrophobicContact CD1-CB 3.92Å | ||
| 382 | N | 74.5 | Confident | 61.3 | Low | 65 Ų | 65 | 83 Ų | 83 | 35% | 0.348 | 47% | 0.471 | S | S | . | . | trans | -62.6 | 151.8 | 170.8 | -68.7 | -32.9 | 0 | 0 | 0 | 109.7 | E189 W384 Q385 H386 | E189-N382 PolarHBondContact OE1-ND2 3.13Å; N382-W384 PolarHBondContact O-N 3.18Å; N382-W384 VanDerWaalsContact O-N 3.07Å; N382-Q385 HydrophobicContact CB-CG 4.18Å; N382-Q385 VanDerWaalsContact N-OE1 3.13Å; N382-Q385 CarbonylContact O-C 3.54Å; N382-Q385 WeakPolarHBondContact O-CA 3.47Å; N382-Q385 VanDerWaalsContact O-CB 3.29Å; N382-Q385 WeakPolarHBondContact O-CB 3.47Å; N382-Q385 PolarHBondContact O-N 2.82Å; N382-H386 PolarHBondContact O-N 3.04Å | ||
| 383 | H | 77.1 | Confident | 62.8 | Low | 134 Ų | 134 | 85 Ų | 85 | 62% | 0.62 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -50.7 | -42 | -173 | -179.8 | 74.8 | 0 | 0 | 0 | 113.5 | Q385 H386 L387 | H383-Q385 VanDerWaalsContact C-N 3.34Å; H383-Q385 PolarHBondContact O-N 3.36Å; H383-H386 PolarHBondContact O-N 3.05Å; H383-L387 WeakPolarHBondContact O-CG 2.82Å; H383-L387 PolarHBondContact O-N 3.29Å |
| 384 | W | 81.5 | Confident | 64.4 | Low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.015 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.5 | -27.5 | 177.6 | 74.9 | -89.9 | 0 | 0 | 0 | 113.2 | A185 W186 E189 E200 M203 L204 N382 A388 | A185-W384 HydrophobicContact CB-CB 3.92Å; W186-W384 HydrophobicContact CB-CD2 4.44Å; W186-W384 HydrophobicContact CB-CG 4.46Å; W186-W384 AromaticContact CD1-CD2 3.85Å; W186-W384 AromaticContact CD1-CE2 3.52Å; W186-W384 AromaticContact CD1-CH2 3.72Å; W186-W384 AromaticContact CD1-CZ2 3.46Å; W186-W384 VanDerWaalsContact CD1-CZ2 3.46Å; W186-W384 AromaticContact NE1-CZ2 3.85Å; E189-W384 PolarHBondContact OE2-NE1 3.02Å; E200-W384 HydrophobicContact CG-CH2 4.24Å; M203-W384 HydrophobicContact CE-CH2 3.86Å; M203-W384 HydrophobicContact CE-CZ3 4.26Å; L204-W384 HydrophobicContact CD2-CE3 4.1Å; L204-W384 HydrophobicContact CD2-CZ3 4.31Å; N382-W384 PolarHBondContact O-N 3.18Å; N382-W384 VanDerWaalsContact O-N 3.07Å; W384-A388 WeakPolarHBondContact O-CB 3.32Å; W384-A388 PolarHBondContact O-N 3.13Å |
| 385 | Q | 82.4 | Confident | 65.3 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.6 | -35.4 | 172.3 | -58.2 | 177 | -19.5 | 0 | 0 | 111 | F381 N382 H383 A388 A389 | F381-Q385 HydrophobicContact CB-CB 4.34Å; F381-Q385 HydrophobicContact CD1-CB 3.92Å; N382-Q385 HydrophobicContact CB-CG 4.18Å; N382-Q385 VanDerWaalsContact N-OE1 3.13Å; N382-Q385 CarbonylContact O-C 3.54Å; N382-Q385 WeakPolarHBondContact O-CA 3.47Å; N382-Q385 VanDerWaalsContact O-CB 3.29Å; N382-Q385 WeakPolarHBondContact O-CB 3.47Å; N382-Q385 PolarHBondContact O-N 2.82Å; H383-Q385 VanDerWaalsContact C-N 3.34Å; H383-Q385 PolarHBondContact O-N 3.36Å; Q385-A388 CarbonylContact O-C 3.56Å; Q385-A388 WeakPolarHBondContact O-CA 2.72Å; Q385-A388 WeakPolarHBondContact O-CB 3.2Å; Q385-A388 PolarHBondContact O-N 3.03Å; Q385-A388 VanDerWaalsContact O-N 3.08Å; Q385-A389 PolarHBondContact O-N 3.5Å |
| 386 | H | 80.2 | Confident | 65.9 | Low | 106 Ų | 106 | 78.9 Ų | 78.9 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 171.5 | -173.6 | -88.7 | 0 | 0 | 0 | 110.9 | N382 H383 A388 A389 V390 | N382-H386 PolarHBondContact O-N 3.04Å; H383-H386 PolarHBondContact O-N 3.05Å; H386-A388 PolarHBondContact O-N 2.98Å; H386-A389 PolarHBondContact O-N 3.29Å; H386-A389 VanDerWaalsContact O-N 3.16Å; H386-V390 WeakPolarHBondContact O-CG2 3.35Å; H386-V390 PolarHBondContact O-N 2.96Å |
| 387 | L | 77 | Confident | 66.3 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.7 | -32.3 | 169.7 | -68.4 | 177.5 | 0 | 0 | 0 | 111.6 | H383 S391 | H383-L387 WeakPolarHBondContact O-CG 2.82Å; H383-L387 PolarHBondContact O-N 3.29Å; L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.03Å |
| 388 | A | 74.8 | Confident | 66.5 | Low | 10 Ų | 10 | 77.9 Ų | 77.9 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.4 | -51.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I207 W384 Q385 H386 S391 M392 | I207-A388 HydrophobicContact CD1-CB 3.1Å; I207-A388 HydrophobicContact CG1-CB 3.68Å; W384-A388 WeakPolarHBondContact O-CB 3.32Å; W384-A388 PolarHBondContact O-N 3.13Å; Q385-A388 CarbonylContact O-C 3.56Å; Q385-A388 WeakPolarHBondContact O-CA 2.72Å; Q385-A388 WeakPolarHBondContact O-CB 3.2Å; Q385-A388 PolarHBondContact O-N 3.03Å; Q385-A388 VanDerWaalsContact O-N 3.08Å; H386-A388 PolarHBondContact O-N 2.98Å; A388-S391 PolarHBondContact O-N 3.32Å; A388-M392 WeakPolarHBondContact O-CG 3.18Å; A388-M392 PolarHBondContact O-N 2.97Å |
| 389 | A | 74.7 | Confident | 66.8 | Low | 25 Ų | 25 | 80.9 Ų | 80.9 | 21% | 0.207 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.8 | -51.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q385 H386 S391 M392 Y393 | Q385-A389 PolarHBondContact O-N 3.5Å; H386-A389 PolarHBondContact O-N 3.29Å; H386-A389 VanDerWaalsContact O-N 3.16Å; A389-S391 PolarHBondContact O-N 3.36Å; A389-M392 WeakPolarHBondContact O-CB 3.4Å; A389-M392 PolarHBondContact O-N 3.3Å; A389-M392 VanDerWaalsContact O-N 3.16Å; A389-Y393 HydrophobicContact CB-CE2 4.22Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 2.93Å |
| 390 | V | 76.3 | Confident | 66.9 | Low | 66 Ų | 66 | 79.5 Ų | 79.5 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | -180 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | H386 M392 Y393 Q394 | H386-V390 WeakPolarHBondContact O-CG2 3.35Å; H386-V390 PolarHBondContact O-N 2.96Å; V390-M392 VanDerWaalsContact C-N 3.32Å; V390-M392 PolarHBondContact O-N 3.46Å; V390-Y393 PolarHBondContact O-N 3.06Å; V390-Q394 PolarHBondContact O-N 2.68Å |
| 391 | S | 70.3 | Confident | 66.7 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -34.2 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | I207 L387 A388 A389 Q394 R395 | I207-S391 WeakPolarHBondContact CA-OG 3Å; I207-S391 PolarHBondContact O-OG 3.06Å; L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.03Å; A388-S391 PolarHBondContact O-N 3.32Å; A389-S391 PolarHBondContact O-N 3.36Å; S391-Q394 PolarHBondContact O-N 2.98Å; S391-R395 PolarHBondContact O-N 2.94Å |
| 392 | M | 66.4 | Low | 65.8 | Low | 40 Ų | 40 | 78.9 Ų | 78.9 | 20% | 0.197 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 172.5 | -69.9 | -84.8 | -162.8 | 0 | 0 | 111.5 | I206 A388 A389 V390 Q394 R395 I405 | I206-M392 HydrophobicContact CB-CE 3.78Å; I206-M392 HydrophobicContact CB-SD 4.25Å; I206-M392 HydrophobicContact CD1-CE 3.53Å; I206-M392 HydrophobicContact CD1-SD 4.43Å; I206-M392 HydrophobicContact CG1-CE 4.25Å; I206-M392 HydrophobicContact CG2-CE 3.46Å; I206-M392 VanDerWaalsContact CG2-CE 3.46Å; I206-M392 HydrophobicContact CG2-CG 4.37Å; I206-M392 HydrophobicContact CG2-SD 3.25Å; I206-M392 WeakPolarHBondContact CG2-SD 3.12Å; A388-M392 WeakPolarHBondContact O-CG 3.18Å; A388-M392 PolarHBondContact O-N 2.97Å; A389-M392 WeakPolarHBondContact O-CB 3.4Å; A389-M392 PolarHBondContact O-N 3.3Å; A389-M392 VanDerWaalsContact O-N 3.16Å; V390-M392 VanDerWaalsContact C-N 3.32Å; V390-M392 PolarHBondContact O-N 3.46Å; M392-Q394 VanDerWaalsContact C-N 3.32Å; M392-Q394 PolarHBondContact O-N 3.14Å; M392-R395 PolarHBondContact O-N 3.41Å; M392-R395 VanDerWaalsContact O-N 3.15Å; M392-I405 HydrophobicContact CB-CD1 4.47Å |
| 393 | Y | 69 | Low | 64.7 | Low | 105 Ų | 105 | 76.4 Ų | 76.4 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 177.5 | -73.5 | -67.9 | 0 | 0 | 0 | 112.2 | A389 V390 R395 I405 | A389-Y393 HydrophobicContact CB-CE2 4.22Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 2.93Å; V390-Y393 PolarHBondContact O-N 3.06Å; Y393-R395 PolarHBondContact O-N 3.23Å; Y393-I405 HydrophobicContact CE1-CD1 4.34Å |
| 394 | Q | 66.2 | Low | 63.5 | Low | 158 Ų | 158 | 73.3 Ų | 73.3 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.6 | 179.1 | -158.4 | 165 | 25.6 | 0 | 0 | 113.9 | V390 S391 M392 | V390-Q394 PolarHBondContact O-N 2.68Å; S391-Q394 PolarHBondContact O-N 2.98Å; M392-Q394 VanDerWaalsContact C-N 3.32Å; M392-Q394 PolarHBondContact O-N 3.14Å |
| 395 | R | 59.4 | Low | 62 | Low | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.9 | -179.1 | -131.8 | 173.2 | -168.3 | -163.1 | 0.8 | 114 | I206 K209 S391 M392 Y393 | I206-R395 PolarHBondContact O-NH1 3.03Å; K209-R395 VanDerWaalsContact CA-NH2 3.3Å; K209-R395 VanDerWaalsContact CG-NH2 3.33Å; S391-R395 PolarHBondContact O-N 2.94Å; M392-R395 PolarHBondContact O-N 3.41Å; M392-R395 VanDerWaalsContact O-N 3.15Å; Y393-R395 PolarHBondContact O-N 3.23Å |
| 396 | L | 51.9 | Low | 60.5 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -84.1 | 124.8 | 174.6 | -68.8 | 165.6 | 0 | 0 | 0 | 108.8 | A398 P403 | L396-A398 PolarHBondContact O-N 2.82Å; L396-P403 HydrophobicContact CD1-CG 3.4Å; L396-P403 VanDerWaalsContact CD1-CG 3.4Å; L396-P403 HydrophobicContact CD2-CG 4.35Å |
| 397 | P | 54.5 | Low | 58.9 | Low | 96 Ų | 96 | 78.1 Ų | 78.1 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | trans | -55.2 | 141.2 | 167 | 23.9 | -30.2 | 0 | 0 | 0 | 108 | L399 | P397-L399 HydrophobicContact CG-CD1 4.31Å; P397-L399 HydrophobicContact CG-CG 4.48Å; P397-L399 PolarHBondContact O-N 2.99Å | ||
| 398 | A | 52.2 | Low | 57.7 | Low | 110 Ų | 110 | 80.3 Ų | 80.3 | 91% | 0.909 | 45% | 0.448 | S | S | * | . | trans | -65.7 | 52.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L396 G400 | L396-A398 PolarHBondContact O-N 2.82Å; A398-G400 VanDerWaalsContact C-N 3.27Å; A398-G400 PolarHBondContact O-N 3.09Å | ||
| 399 | L | 45.4 | Very low | 56.3 | Low | 132 Ų | 132 | 88.8 Ų | 88.8 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | trans | -78.9 | 79.8 | 171.4 | -68.6 | 174.5 | 0 | 0 | 0 | 107.6 | P397 T401 | P397-L399 HydrophobicContact CG-CD1 4.31Å; P397-L399 HydrophobicContact CG-CG 4.48Å; P397-L399 PolarHBondContact O-N 2.99Å; L399-T401 PolarHBondContact O-N 2.97Å | ||
| 400 | G | 51.2 | Low | 54.9 | Low | 78 Ų | 78 | 90.2 Ų | 90.2 | 80% | 0.804 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 40.7 | -6.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | A398 | A398-G400 VanDerWaalsContact C-N 3.27Å; A398-G400 PolarHBondContact O-N 3.09Å |
| 401 | T | 52.6 | Low | 53.6 | Low | 81 Ų | 81 | 98 Ų | 98 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -161.8 | 118.1 | -177.4 | -48.5 | 0 | 0 | 0 | 0 | 108.9 | L399 P422 | L399-T401 PolarHBondContact O-N 2.97Å; T401-P422 HydrophobicContact CG2-CB 4.31Å; T401-P422 HydrophobicContact CG2-CG 3.7Å |
| 402 | L | 43.4 | Very low | 52.6 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 71% | 0.707 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 130.4 | -175.4 | -62.8 | 171.5 | 0 | 0 | 0 | 111.3 | ||
| 403 | P | 51.6 | Low | 51.6 | Low | 14 Ų | 14 | 109.4 Ų | 109.4 | 9% | 0.091 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 135.1 | 166.6 | 29.3 | -31.8 | 0 | 0 | 0 | 110 | L396 I405 F420 | L396-P403 HydrophobicContact CD1-CG 3.4Å; L396-P403 VanDerWaalsContact CD1-CG 3.4Å; L396-P403 HydrophobicContact CD2-CG 4.35Å; P403-I405 PolarHBondContact O-N 3.11Å; P403-F420 WeakPolarHBondContact CA-O 3.22Å; P403-F420 VanDerWaalsContact CB-O 3.3Å; P403-F420 WeakPolarHBondContact CB-O 3.2Å |
| 404 | A | 52.2 | Low | 50.4 | Low | 69 Ų | 69 | 113.3 Ų | 113.3 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 405 | I | 50.8 | Low | 49.5 | Very low | 39 Ų | 39 | 112 Ų | 112 | 20% | 0.2 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.9 | 173.8 | -57.6 | 176.7 | 0 | 0 | 0 | 107.6 | M392 Y393 P403 F407 V417 L419 | M392-I405 HydrophobicContact CB-CD1 4.47Å; Y393-I405 HydrophobicContact CE1-CD1 4.34Å; P403-I405 PolarHBondContact O-N 3.11Å; I405-F407 HydrophobicContact CG2-CD2 4.22Å; I405-F407 HydrophobicContact CG2-CE2 3.79Å; I405-F407 HydrophobicContact CG2-CZ 4.1Å; I405-V417 HydrophobicContact CG2-CG1 4.28Å; I405-L419 HydrophobicContact CG1-CD2 4.12Å |
| 406 | R | 51.4 | Low | 48.8 | Very low | 154 Ų | 154 | 109.1 Ų | 109.1 | 58% | 0.581 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.3 | 173.3 | -147.2 | -179.2 | -151.6 | 176.6 | 6.6 | 108.7 | H408 | R406-H408 PolarHBondContact O-N 3.26Å |
| 407 | F | 46.5 | Very low | 48.7 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 35% | 0.346 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 110.5 | 168.6 | -68.5 | -83.3 | 0 | 0 | 0 | 108.3 | I405 V417 | I405-F407 HydrophobicContact CG2-CD2 4.22Å; I405-F407 HydrophobicContact CG2-CE2 3.79Å; I405-F407 HydrophobicContact CG2-CZ 4.1Å; F407-V417 HydrophobicContact CD1-CG2 3.91Å; F407-V417 HydrophobicContact CE1-CG2 3.56Å |
| 408 | H | 51 | Low | 48.8 | Very low | 104 Ų | 104 | 108.3 Ų | 108.3 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.4 | 167.5 | -103.8 | -100 | 0 | 0 | 0 | 108.8 | R406 P410 | R406-H408 PolarHBondContact O-N 3.26Å; H408-P410 WeakPolarHBondContact O-CD 3.31Å |
| 409 | R | 44.7 | Very low | 48.8 | Very low | 189 Ų | 189 | 106.8 Ų | 106.8 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | trans | -80.2 | 108.6 | 153 | -76.9 | -165.7 | -144.4 | -168.6 | 6.8 | 106.9 | Y415 | R409-Y415 HydrophobicContact CG-CE1 3.99Š| ||
| 410 | P | 45.4 | Very low | 49.1 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 35% | 0.351 | 53% | 0.532 | S | S | . | . | trans | -73.4 | 156.9 | 157.9 | 31.4 | -29.2 | 0 | 0 | 0 | 108.4 | H408 D412 R414 | H408-P410 WeakPolarHBondContact O-CD 3.31Å; P410-D412 PolarHBondContact O-N 3.01Å; P410-R414 WeakPolarHBondContact CD-O 3.49Å; P410-R414 HydrophobicContact CG-CB 4.22Å; P410-R414 WeakPolarHBondContact CG-O 3.47Å | ||
| 411 | F | 49.4 | Very low | 48.8 | Very low | 231 Ų | 231 | 108.8 Ų | 108.8 | 100% | 1.013 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -2.9 | 178.7 | -129 | -100.6 | 0 | 0 | 0 | 114.9 | ||
| 412 | D | 48.8 | Very low | 48.7 | Very low | 109 Ų | 109 | 107 Ų | 107 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | 42.2 | -168.2 | -166.9 | 26.6 | 0 | 0 | 0 | 113.5 | P410 R414 | P410-D412 PolarHBondContact O-N 3.01Å; D412-R414 WeakPolarHBondContact O-CG 3.32Å; D412-R414 PolarHBondContact O-N 2.87Å |
| 413 | Q | 46.8 | Very low | 49.4 | Very low | 190 Ų | 190 | 106.3 Ų | 106.3 | 89% | 0.888 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 51.2 | 9.5 | 172.1 | -65.1 | -169.9 | 6.9 | 0 | 0 | 117.9 | ||
| 414 | R | 42.3 | Very low | 49.5 | Very low | 186 Ų | 186 | 109.2 Ų | 109.2 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | trans | -97.5 | 95.7 | 178 | -67.5 | -174 | -159.3 | -165.3 | 6.4 | 110.5 | P410 D412 S416 | P410-R414 WeakPolarHBondContact CD-O 3.49Å; P410-R414 HydrophobicContact CG-CB 4.22Å; P410-R414 WeakPolarHBondContact CG-O 3.47Å; D412-R414 WeakPolarHBondContact O-CG 3.32Å; D412-R414 PolarHBondContact O-N 2.87Å; R414-S416 PolarHBondContact O-N 3.21Å | ||
| 415 | Y | 47.9 | Very low | 49.5 | Very low | 132 Ų | 132 | 109.2 Ų | 109.2 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | trans | -58 | 116.6 | 169.9 | -65.1 | -83.3 | 0 | 0 | 0 | 110.4 | R409 | R409-Y415 HydrophobicContact CG-CE1 3.99Š| ||
| 416 | S | 45.1 | Very low | 49.6 | Very low | 52 Ų | 52 | 114.9 Ų | 114.9 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.3 | 166.1 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | R414 | R414-S416 PolarHBondContact O-N 3.21Å |
| 417 | V | 50.7 | Low | 49.8 | Very low | 73 Ų | 73 | 115 Ų | 115 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.3 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 106.4 | I405 F407 L419 | I405-V417 HydrophobicContact CG2-CG1 4.28Å; F407-V417 HydrophobicContact CD1-CG2 3.91Å; F407-V417 HydrophobicContact CE1-CG2 3.56Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; V417-L419 HydrophobicContact CG1-CG 4.45Å |
| 418 | V | 54.6 | Low | 50.3 | Low | 63 Ų | 63 | 117.8 Ų | 117.8 | 38% | 0.382 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.8 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | F420 | V418-F420 HydrophobicContact CB-CD2 4.46Å; V418-F420 HydrophobicContact CB-CE2 3.98Å; V418-F420 HydrophobicContact CG1-CD2 3.89Å; V418-F420 HydrophobicContact CG1-CE1 4.44Å; V418-F420 HydrophobicContact CG1-CE2 3.44Å; V418-F420 VanDerWaalsContact CG1-CE2 3.44Å; V418-F420 HydrophobicContact CG1-CZ 3.75Å |
| 419 | L | 53.1 | Low | 50.5 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 41% | 0.414 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 108.2 | 173.1 | -63.8 | 176.8 | 0 | 0 | 0 | 108.1 | I405 V417 Y421 | I405-L419 HydrophobicContact CG1-CD2 4.12Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; V417-L419 HydrophobicContact CG1-CG 4.45Å; L419-Y421 HydrophobicContact CB-CE2 4.04Å |
| 420 | F | 51.4 | Low | 51.1 | Low | 122 Ų | 122 | 112.1 Ų | 112.1 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 113.9 | 171.1 | -73.4 | -87.3 | 0 | 0 | 0 | 109.2 | P403 V418 | P403-F420 WeakPolarHBondContact CA-O 3.22Å; P403-F420 VanDerWaalsContact CB-O 3.3Å; P403-F420 WeakPolarHBondContact CB-O 3.2Å; V418-F420 HydrophobicContact CB-CD2 4.46Å; V418-F420 HydrophobicContact CB-CE2 3.98Å; V418-F420 HydrophobicContact CG1-CD2 3.89Å; V418-F420 HydrophobicContact CG1-CE1 4.44Å; V418-F420 HydrophobicContact CG1-CE2 3.44Å; V418-F420 VanDerWaalsContact CG1-CE2 3.44Å; V418-F420 HydrophobicContact CG1-CZ 3.75Å |
| 421 | Y | 45.4 | Very low | 51.8 | Low | 130 Ų | 130 | 113 Ų | 113 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | trans | -88.6 | 134.1 | 167.3 | -67.1 | -87.3 | 0 | 0 | 0 | 108.9 | L419 T423 | L419-Y421 HydrophobicContact CB-CE2 4.04Å; Y421-T423 PolarHBondContact O-N 2.76Å | ||
| 422 | P | 50.8 | Low | 52.2 | Low | 43 Ų | 43 | 108.5 Ų | 108.5 | 28% | 0.279 | 55% | 0.546 | S | S | . | . | trans | -60.3 | 130 | 171.9 | 24.2 | -31.3 | 0 | 0 | 0 | 109.7 | T401 S424 N425 | T401-P422 HydrophobicContact CG2-CB 4.31Å; T401-P422 HydrophobicContact CG2-CG 3.7Å; P422-S424 PolarHBondContact O-N 3.42Å; P422-N425 PolarHBondContact O-N 3.21Å | ||
| 423 | T | 57 | Low | 52.5 | Low | 121 Ų | 121 | 111.6 Ų | 111.6 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14 | -176.4 | 41 | 0 | 0 | 0 | 0 | 114 | Y421 N425 Y426 | Y421-T423 PolarHBondContact O-N 2.76Å; T423-N425 VanDerWaalsContact C-N 3.26Å; T423-N425 PolarHBondContact O-N 3.36Å; T423-Y426 PolarHBondContact O-N 3.14Å |
| 424 | S | 53.7 | Low | 53 | Low | 75 Ų | 75 | 108.1 Ų | 108.1 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -19.9 | -178.9 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | P422 | P422-S424 PolarHBondContact O-N 3.42Å |
| 425 | N | 52.5 | Low | 53.7 | Low | 68 Ų | 68 | 106.2 Ų | 106.2 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -94.3 | -15.2 | 174.5 | -92 | -39.5 | 0 | 0 | 0 | 114 | P422 T423 L429 | P422-N425 PolarHBondContact O-N 3.21Å; T423-N425 VanDerWaalsContact C-N 3.26Å; T423-N425 PolarHBondContact O-N 3.36Å; N425-L429 WeakPolarHBondContact O-CB 3.04Å; N425-L429 PolarHBondContact O-N 2.67Å; N425-L429 VanDerWaalsContact O-N 3.14Å |
| 426 | Y | 52.5 | Low | 54 | Low | 159 Ų | 159 | 107.8 Ų | 107.8 | 62% | 0.624 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.1 | -35.2 | 179.5 | -100.2 | -86.8 | 0 | 0 | 0 | 112.2 | T423 A430 | T423-Y426 PolarHBondContact O-N 3.14Å; Y426-A430 WeakPolarHBondContact O-CB 3.31Å; Y426-A430 PolarHBondContact O-N 2.96Å |
| 427 | Q | 55.8 | Low | 54.2 | Low | 155 Ų | 155 | 110.1 Ų | 110.1 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.2 | -40 | 176.7 | -98.3 | 176.6 | -9.7 | 0 | 0 | 112.6 | S431 | Q427-S431 WeakPolarHBondContact O-CB 2.93Å; Q427-S431 PolarHBondContact O-N 3.39Å; Q427-S431 PolarHBondContact O-OG 3Å |
| 428 | Q | 56.7 | Low | 54.1 | Low | 138 Ų | 138 | 112.8 Ų | 112.8 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.9 | -41 | 177.7 | -78.9 | -178.5 | 9 | 0 | 0 | 112.4 | Q432 | Q428-Q432 VanDerWaalsContact O-CB 3.31Å; Q428-Q432 WeakPolarHBondContact O-CB 3.34Å; Q428-Q432 PolarHBondContact O-N 3.35Å |
| 429 | L | 55.2 | Low | 53.7 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68 | -37.7 | 174.9 | -86.9 | 157.5 | 0 | 0 | 0 | 112.4 | N425 Q432 Y433 | N425-L429 WeakPolarHBondContact O-CB 3.04Å; N425-L429 PolarHBondContact O-N 2.67Å; N425-L429 VanDerWaalsContact O-N 3.14Å; L429-Q432 PolarHBondContact O-N 3.35Å; L429-Y433 WeakPolarHBondContact O-CB 3.27Å; L429-Y433 PolarHBondContact O-N 3.36Å |
| 430 | A | 59 | Low | 53.2 | Low | 59 Ų | 59 | 117.5 Ų | 117.5 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.4 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y426 Y433 H434 | Y426-A430 WeakPolarHBondContact O-CB 3.31Å; Y426-A430 PolarHBondContact O-N 2.96Å; A430-Y433 PolarHBondContact O-N 3.05Å; A430-H434 VanDerWaalsContact O-CB 3.27Å; A430-H434 WeakPolarHBondContact O-CB 3.4Å; A430-H434 PolarHBondContact O-N 3Å |
| 431 | S | 59.1 | Low | 52.9 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 51% | 0.51 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -40.2 | 174.5 | -79.4 | 0 | 0 | 0 | 0 | 112.3 | Q427 H434 Q435 | Q427-S431 WeakPolarHBondContact O-CB 2.93Å; Q427-S431 PolarHBondContact O-N 3.39Å; Q427-S431 PolarHBondContact O-OG 3Å; S431-H434 PolarHBondContact O-N 3.25Å; S431-Q435 WeakPolarHBondContact O-CB 3.36Å; S431-Q435 PolarHBondContact O-N 3.26Å |
| 432 | Q | 58 | Low | 52.9 | Low | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.8 | -35.1 | 178.8 | -164.5 | 172.1 | -8.4 | 0 | 0 | 112.4 | Q428 L429 Q436 | Q428-Q432 VanDerWaalsContact O-CB 3.31Å; Q428-Q432 WeakPolarHBondContact O-CB 3.34Å; Q428-Q432 PolarHBondContact O-N 3.35Å; L429-Q432 PolarHBondContact O-N 3.35Å; Q432-Q436 PolarHBondContact O-N 3.44Å |
| 433 | Y | 54.4 | Low | 52.5 | Low | 175 Ų | 175 | 124.4 Ų | 124.4 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73 | -30.9 | 175.2 | -149.6 | -91.1 | 0 | 0 | 0 | 112.7 | L429 A430 | L429-Y433 WeakPolarHBondContact O-CB 3.27Å; L429-Y433 PolarHBondContact O-N 3.36Å; A430-Y433 PolarHBondContact O-N 3.05Å |
| 434 | H | 57.7 | Low | 51.9 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78.6 | -24 | 175.7 | -157 | 77.7 | 0 | 0 | 0 | 112.9 | A430 S431 | A430-H434 VanDerWaalsContact O-CB 3.27Å; A430-H434 WeakPolarHBondContact O-CB 3.4Å; A430-H434 PolarHBondContact O-N 3Å; S431-H434 PolarHBondContact O-N 3.25Å |
| 435 | Q | 56.9 | Low | 51.4 | Low | 147 Ų | 147 | 125.2 Ų | 125.2 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.6 | -26.8 | 176.9 | -143.2 | 88.6 | 46.2 | 0 | 0 | 113.1 | S431 | S431-Q435 WeakPolarHBondContact O-CB 3.36Å; S431-Q435 PolarHBondContact O-N 3.26Å |
| 436 | Q | 53.8 | Low | 50.9 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -94.4 | -11.2 | -178.1 | -153 | 168.2 | 14.4 | 0 | 0 | 113.4 | Q432 | Q432-Q436 PolarHBondContact O-N 3.44Å |
| 437 | N | 50.6 | Low | 50.5 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -127 | 83.7 | 173.9 | -71.8 | -49.1 | 0 | 0 | 0 | 109.8 | ||
| 438 | Q | 48.4 | Very low | 50 | Low | 130 Ų | 130 | 123.6 Ų | 123.6 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | trans | -95.9 | 155.2 | 172.8 | -78.2 | -93.9 | -36 | 0 | 0 | 110.5 | ||||
| 439 | P | 45.8 | Very low | 49.4 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | -149.8 | 94.7 | -52 | 39 | -18.1 | 0 | 0 | 0 | 112.4 | |||||
| 440 | D | 42.9 | Very low | 49.1 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | trans | -120.8 | 28.6 | 178.8 | -83.2 | -17.2 | 0 | 0 | 0 | 114.6 | ||||
| 441 | F | 44.8 | Very low | 48.6 | Very low | 191 Ų | 191 | 136 Ų | 136 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -131.9 | 111.4 | 171.4 | -91.4 | -87.5 | 0 | 0 | 0 | 112.5 | T443 | F441-T443 PolarHBondContact O-N 2.94Š| ||
| 442 | T | 44.3 | Very low | 48.1 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -43 | 103.4 | 162.4 | 28.8 | 0 | 0 | 0 | 0 | 110.5 | T444 | T442-T444 PolarHBondContact O-N 2.75Š| ||
| 443 | T | 44.4 | Very low | 47.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 101.1 | 171.2 | -63.6 | 0 | 0 | 0 | 0 | 108 | F441 S445 | F441-T443 PolarHBondContact O-N 2.94Å; T443-S445 PolarHBondContact O-N 2.89Å; T443-S445 VanDerWaalsContact O-N 3.1Å | ||
| 444 | T | 43.9 | Very low | 47.2 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -72.2 | 97 | 163.6 | -49.5 | 0 | 0 | 0 | 0 | 107.6 | T442 I446 | T442-T444 PolarHBondContact O-N 2.75Å; T444-I446 HydrophobicContact CG2-CG1 4.46Å; T444-I446 PolarHBondContact O-N 3.16Å | ||
| 445 | S | 43.6 | Very low | 46.6 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -70.1 | 103.6 | 168.2 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | T443 C447 | T443-S445 PolarHBondContact O-N 2.89Å; T443-S445 VanDerWaalsContact O-N 3.1Å; S445-C447 PolarHBondContact O-N 3.36Å | ||
| 446 | I | 42 | Very low | 45.9 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -83.6 | 94.5 | 162.3 | -59.9 | 175.5 | 0 | 0 | 0 | 106.1 | T444 S448 | T444-I446 HydrophobicContact CG2-CG1 4.46Å; T444-I446 PolarHBondContact O-N 3.16Å; I446-S448 PolarHBondContact O-N 3.26Å | ||
| 447 | C | 43.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 109.7 | 156.6 | -79.7 | 0 | 0 | 0 | 0 | 106.9 | S445 D449 | S445-C447 PolarHBondContact O-N 3.36Å; C447-D449 PolarHBondContact O-N 2.95Å | ||
| 448 | S | 45.8 | Very low | 45 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 91.5 | 157.4 | -70.2 | 0 | 0 | 0 | 0 | 107.3 | I446 | I446-S448 PolarHBondContact O-N 3.26Š| ||
| 449 | D | 42.4 | Very low | 44.8 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 125.6 | 148.8 | -83.9 | -49.7 | 0 | 0 | 0 | 107.1 | C447 | C447-D449 PolarHBondContact O-N 2.95Š| ||
| 450 | H | 49.7 | Very low | 44.7 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -131.9 | 114 | 162.2 | -133.9 | -68.7 | 0 | 0 | 0 | 106.3 | ||||
| 451 | D | 49.1 | Very low | 44.9 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 100% | 1.251 | 80% | 0.803 | S | S | * | * | trans | -48.9 | 0 | 166.2 | -90.4 | -59.6 | 0 | 0 | 0 | 112.7 |
Retrieved 451 of 451 residues in 567.1 ms
(Link to these results)