| 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 | 39.9 | Very low | 46.2 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 100% | 1.167 | 81% | 0.812 | S | S | * | * | 0 | 129.8 | 0 | -73.7 | 152.9 | 73.4 | 0 | 0 | 108 | |||||
| 2 | S | 43.5 | Very low | 46.1 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 71.8 | 100.7 | 162.4 | -56.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3 | S | 47.6 | Very low | 45.3 | Very low | 93 Ų | 93 | 157.4 Ų | 157.4 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -58.1 | 143.8 | 155.7 | 175.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 4 | M | 49.5 | Very low | 44.9 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -167 | 93.4 | 154.3 | -98.2 | 161 | -163.7 | 0 | 0 | 106.9 | ||||
| 5 | R | 52.5 | Low | 45 | Very low | 221 Ų | 221 | 155.3 Ų | 155.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | 62 | 105.9 | 83.3 | -68.7 | -172.8 | -164.3 | -178 | 4.8 | 114.3 | |||||
| 6 | D | 46 | Very low | 44.4 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -56.3 | 151.2 | 148 | -66.3 | -53.7 | 0 | 0 | 0 | 110.5 | ||||
| 7 | P | 55 | Low | 43.9 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | -142.4 | 134.8 | 105.5 | 23.8 | -2.9 | 0 | 0 | 0 | 112.7 | |||||
| 8 | L | 44.8 | Very low | 43.7 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | 65 | 111.8 | 91.1 | -66.9 | 176.2 | 0 | 0 | 0 | 116.3 | |||||
| 9 | N | 38.9 | Very low | 43.4 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 65% | 0.652 | 82% | 0.822 | S | S | * | * | trans | -27 | 129.7 | 152.8 | -173.4 | 21.4 | 0 | 0 | 0 | 115 | D11 | N9-D11 PolarHBondContact ND2-OD2 3.02Š| ||
| 10 | I | 50.1 | Low | 43.2 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -133 | 102 | 160.3 | -63.8 | 176.8 | 0 | 0 | 0 | 107.6 | ||||
| 11 | D | 39.9 | Very low | 42.7 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | trans | -60.5 | 128.2 | 170.7 | -73.5 | -69.8 | 0 | 0 | 0 | 111.6 | N9 H13 | N9-D11 PolarHBondContact ND2-OD2 3.02Å; D11-H13 PolarHBondContact O-N 3.1Å | ||
| 12 | H | 45.2 | Very low | 42.8 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 107.7 | 171 | -87.3 | -85.8 | 0 | 0 | 0 | 110.6 | L14 | H12-L14 PolarHBondContact O-N 3.11Š| ||
| 13 | H | 35.8 | Very low | 42.8 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 98 | 170.7 | -152 | -90.8 | 0 | 0 | 0 | 110 | D11 T15 | D11-H13 PolarHBondContact O-N 3.1Å; H13-T15 PolarHBondContact O-N 3.34Å | ||
| 14 | L | 40.6 | Very low | 42.4 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -86.9 | 102.3 | 168.9 | -134.9 | 82.7 | 0 | 0 | 0 | 109.1 | H12 G16 | H12-L14 PolarHBondContact O-N 3.11Å; L14-G16 PolarHBondContact O-N 3.19Å | ||
| 15 | T | 45.4 | Very low | 42 | Very low | 115 Ų | 115 | 147 Ų | 147 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -66.4 | 112.8 | 171.6 | 44.5 | 0 | 0 | 0 | 0 | 110.4 | H13 | H13-T15 PolarHBondContact O-N 3.34Š| ||
| 16 | G | 35.2 | Very low | 41.2 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 126.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 K18 | L14-G16 PolarHBondContact O-N 3.19Å; G16-K18 PolarHBondContact O-N 2.66Å | ||
| 17 | N | 36.5 | Very low | 40.9 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 110.9 | 167.5 | -95.2 | -6.6 | 0 | 0 | 0 | 109.9 | L19 | N17-L19 PolarHBondContact O-N 3.29Š| ||
| 18 | K | 39.8 | Very low | 40.2 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 111.3 | 173.4 | -164.7 | 175.6 | -176.5 | -176.2 | 0 | 109.7 | G16 A20 | G16-K18 PolarHBondContact O-N 2.66Å; K18-A20 PolarHBondContact O-N 3.43Å | ||
| 19 | L | 39 | Very low | 39.9 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -67 | 115 | 167.7 | -87 | 139.8 | 0 | 0 | 0 | 109.5 | N17 | N17-L19 PolarHBondContact O-N 3.29Š| ||
| 20 | A | 38.7 | Very low | 39.9 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -84.6 | 118 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | K18 | K18-A20 PolarHBondContact O-N 3.43Š| ||
| 21 | S | 33.7 | Very low | 39.3 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -67.1 | 122.5 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | T | 41.4 | Very low | 39 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 112.9 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 23 | H | 44 | Very low | 38.5 | Very low | 164 Ų | 164 | 138 Ų | 138 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 133.3 | 168.5 | -75.2 | -97.2 | 0 | 0 | 0 | 110.2 | ||||
| 24 | H | 38.1 | Very low | 38.8 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -90.4 | 105.4 | 174 | -47.9 | -72.8 | 0 | 0 | 0 | 109.2 | ||||
| 25 | T | 41.7 | Very low | 38.6 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -91.5 | 118.3 | 169.9 | -41.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 26 | A | 34.8 | Very low | 38 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 122.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | L | 39.9 | Very low | 38 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | -109.3 | 113.4 | 171.2 | -101.4 | 154.4 | 0 | 0 | 0 | 108.8 | ||||
| 28 | A | 40.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -66.3 | 130.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | M | 38.7 | Very low | 37.4 | Very low | 187 Ų | 187 | 143 Ų | 143 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -101.2 | 106 | 171.8 | -59.9 | -158.1 | -172.3 | 0 | 0 | 108.7 | ||||
| 30 | A | 38.4 | Very low | 37.3 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -85.7 | 122.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 31 | S | 37.6 | Very low | 37.2 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -64.3 | 131.2 | 168.8 | -76.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 32 | S | 33 | Very low | 37.1 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -146.1 | 102.8 | 150.1 | -167.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 33 | L | 36.4 | Very low | 37 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -105.6 | 110 | 171.3 | -75.8 | 169.1 | 0 | 0 | 0 | 107.3 | ||||
| 34 | Q | 41.8 | Very low | 36.5 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | trans | -97.2 | 133.8 | 159.3 | -76.2 | 179.1 | -18 | 0 | 0 | 108.4 | ||||
| 35 | P | 36.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -88.1 | 114.5 | 173.8 | 28 | -19.9 | 0 | 0 | 0 | 110.1 | ||||
| 36 | L | 32.6 | Very low | 35.9 | Very low | 165 Ų | 165 | 149 Ų | 149 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -87.4 | 108.9 | 167.9 | -140.4 | 78.5 | 0 | 0 | 0 | 108.4 | R38 | L36-R38 PolarHBondContact O-N 3.2Š| ||
| 37 | Q | 35.5 | Very low | 35.9 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -60.3 | 129.2 | 168.1 | -81.5 | 172.2 | -71.3 | 0 | 0 | 109.5 | ||||
| 38 | R | 32.8 | Very low | 35.5 | Very low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -122.3 | 112 | 164.4 | -149.2 | 173.3 | -125 | -118.5 | 1.8 | 110 | L36 | L36-R38 PolarHBondContact O-N 3.2Š| ||
| 39 | S | 30.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -37.4 | 134.2 | 165.4 | 169.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 40 | V | 36.8 | Very low | 35.1 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -116.7 | 115 | 160.3 | -74.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 41 | D | 35.3 | Very low | 35.1 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 156.9 | 157.9 | -140.1 | -44.8 | 0 | 0 | 0 | 110.1 | ||||
| 42 | S | 31.8 | Very low | 35.1 | Very low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 98 | 84.2 | 168.9 | -55.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 43 | K | 40.5 | Very low | 35.1 | Very low | 192 Ų | 192 | 154.1 Ų | 154.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | 49.1 | 122.5 | 109 | -67.3 | -179 | 179.1 | 176.2 | 0 | 120.3 | |||||
| 44 | H | 31.8 | Very low | 35.1 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 163.6 | 147.2 | 125.9 | -125.2 | -138.9 | 0 | 0 | 0 | 106.3 | |||||
| 45 | R | 31 | Very low | 34.8 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -178.4 | 136.8 | 17.8 | -173.9 | 175.6 | -173.4 | 162.8 | -4.8 | 108.1 | ||||
| 46 | L | 37.5 | Very low | 34.6 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 60.4 | 139.4 | 148.2 | -62.1 | 171.3 | 0 | 0 | 0 | 124.2 | ||||
| 47 | E | 34.3 | Very low | 35.4 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -66.6 | 153.2 | 170.7 | -80.9 | -169.4 | 130 | 0 | 0 | 116.1 | ||||
| 48 | V | 32.8 | Very low | 35.2 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 62% | 0.624 | 78% | 0.776 | S | S | * | * | trans | 58.6 | 128 | 135.4 | -177.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 49 | H | 33.6 | Very low | 35.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | -175.3 | 128.1 | 116 | -92.5 | 83.1 | 0 | 0 | 0 | 110.6 | |||||
| 50 | T | 37 | Very low | 35.6 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 142.4 | 165.3 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 51 | V | 37.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -175 | 152.9 | 131.2 | -85.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 52 | S | 37 | Very low | 36.1 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -78.5 | 162.5 | -172.9 | -43.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 53 | D | 33.2 | Very low | 36.7 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 73.3 | 148.2 | 140 | -90.8 | -46.4 | 0 | 0 | 0 | 123.7 | ||||
| 54 | T | 37.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 86.4 | 112.1 | 151.2 | -170.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 55 | S | 33.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 73.3 | 110.8 | 136.5 | 64.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 56 | S | 33.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -43.2 | 164.1 | 138.9 | -142.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 57 | P | 48.5 | Very low | 37.8 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -149.6 | 177.1 | 33.1 | 40.9 | -18.3 | 0 | 0 | 0 | 119.4 | ||||
| 58 | E | 32.6 | Very low | 38.4 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | 63.9 | 151.7 | 156.8 | -80.9 | -154 | 101.5 | 0 | 0 | 119 | ||||
| 59 | S | 35.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | cis | -169 | 178.4 | -24.8 | 42.9 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 60 | V | 35.7 | Very low | 39.7 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 95.2 | 119.6 | 161.4 | -150.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 61 | E | 38.4 | Very low | 40.1 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 109.7 | 116.5 | 149.8 | -45.1 | -151.2 | 138.3 | 0 | 0 | 121.7 | ||||
| 62 | K | 43 | Very low | 40.3 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 126.4 | 170.6 | -68.5 | 164.5 | 173 | 170.6 | 0 | 109 | ||||
| 63 | E | 44.5 | Very low | 40.7 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -126.1 | 118.4 | 153.7 | -78.1 | -151.5 | 139.8 | 0 | 0 | 112.1 | I65 | E63-I65 PolarHBondContact O-N 3.37Š| ||
| 64 | K | 41.8 | Very low | 41.5 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | trans | -79 | 97.1 | 174.5 | 174.2 | -171.8 | 177.6 | -122.2 | 0 | 107.7 | Q66 | K64-Q66 PolarHBondContact O-N 3.19Š| ||
| 65 | I | 43.5 | Very low | 42.4 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | -82.4 | 100.1 | 169.1 | -59.4 | -176.7 | 0 | 0 | 0 | 108.8 | E63 N67 | E63-I65 PolarHBondContact O-N 3.37Å; I65-N67 PolarHBondContact O-N 3.19Å | ||
| 66 | Q | 42.7 | Very low | 43.6 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 54% | 0.537 | 74% | 0.736 | S | S | . | * | trans | -85.9 | 90.1 | 173 | -175.6 | 169.3 | -1.4 | 0 | 0 | 108.7 | K64 K68 | K64-Q66 PolarHBondContact O-N 3.19Å; Q66-K68 PolarHBondContact O-N 3.24Å; Q66-K68 VanDerWaalsContact O-N 3.11Å | ||
| 67 | N | 36.2 | Very low | 44.7 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -80.5 | 88 | 167.7 | -86.4 | 6.9 | 0 | 0 | 0 | 109.7 | I65 | I65-N67 PolarHBondContact O-N 3.19Š| ||
| 68 | K | 48.2 | Very low | 45.2 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | -77.6 | 115.4 | 152.6 | -81.9 | -177.9 | 171.3 | -176.7 | 0 | 107.1 | Q66 | Q66-K68 PolarHBondContact O-N 3.24Å; Q66-K68 VanDerWaalsContact O-N 3.11Å | ||
| 69 | N | 48.2 | Very low | 46.6 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | -122.6 | 125.8 | 154.5 | -81.5 | -27 | 0 | 0 | 0 | 107.8 | ||||
| 70 | D | 45.2 | Very low | 48 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | -82.3 | 155 | -177.1 | -148.8 | -26.7 | 0 | 0 | 0 | 111.1 | ||||
| 71 | D | 45.4 | Very low | 49.6 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 62.5 | 140.2 | 149.4 | -154 | 42.8 | 0 | 0 | 0 | 124.4 | ||||
| 72 | S | 42.6 | Very low | 51.5 | Low | 94 Ų | 94 | 150.9 Ų | 150.9 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 104.5 | 116.5 | 147 | -91.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 73 | S | 43.6 | Very low | 53.5 | Low | 119 Ų | 119 | 151.6 Ų | 151.6 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 91.2 | 83.6 | 162 | 73 | 0 | 0 | 0 | 0 | 118.8 | D75 | S73-D75 PolarHBondContact O-N 3.47Š| ||
| 74 | D | 51.3 | Low | 55.4 | Low | 144 Ų | 144 | 153.2 Ų | 153.2 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -75.8 | 88.8 | 161.7 | -147.2 | -32 | 0 | 0 | 0 | 109.7 | P76 | D74-P76 WeakPolarHBondContact O-CD 3.45Š| ||
| 75 | D | 57 | Low | 57.7 | Low | 80 Ų | 80 | 152.9 Ų | 152.9 | 43% | 0.428 | 75% | 0.746 | S | S | . | * | trans | -95.7 | 104.5 | 159.5 | 176.6 | 8.8 | 0 | 0 | 0 | 108.2 | S73 S77 K78 | S73-D75 PolarHBondContact O-N 3.47Å; D75-S77 PolarHBondContact O-N 3.35Å; D75-S77 VanDerWaalsContact O-N 3.1Å; D75-S77 WeakPolarHBondContact OD1-CB 3.41Å; D75-S77 PolarHBondContact OD1-N 2.79Å; D75-S77 PolarHBondContact OD1-OG 3.39Å; D75-S77 PolarHBondContact OD2-OG 3.37Å; D75-K78 IonicContact OD2-NZ 2.85Å | ||
| 76 | P | 57.4 | Low | 60 | Low | 110 Ų | 110 | 155.7 Ų | 155.7 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 2.8 | -174.6 | 27.7 | -33.3 | 0 | 0 | 0 | 114.1 | D74 | D74-P76 WeakPolarHBondContact O-CD 3.45Š|
| 77 | S | 57.8 | Low | 62.5 | Low | 87 Ų | 87 | 152.3 Ų | 152.3 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.9 | -165.6 | 70.5 | 0 | 0 | 0 | 0 | 117.5 | D75 | D75-S77 PolarHBondContact O-N 3.35Å; D75-S77 VanDerWaalsContact O-N 3.1Å; D75-S77 WeakPolarHBondContact OD1-CB 3.41Å; D75-S77 PolarHBondContact OD1-N 2.79Å; D75-S77 PolarHBondContact OD1-OG 3.39Å; D75-S77 PolarHBondContact OD2-OG 3.37Å |
| 78 | K | 59.1 | Low | 65.3 | Low | 165 Ų | 165 | 153 Ų | 153 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | -123.8 | 11 | -170.4 | -69.4 | 176.8 | -171.8 | 149.5 | 0 | 118.3 | D75 K80 | D75-K78 IonicContact OD2-NZ 2.85Å; K78-K80 PolarHBondContact O-N 3.48Å | ||
| 79 | K | 60.7 | Low | 67.7 | Low | 181 Ų | 181 | 147.8 Ų | 147.8 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | trans | -77.8 | 64.6 | 177.7 | -66.4 | 175.5 | -174 | 164.5 | 0 | 112.2 | R81 | K79-R81 PolarHBondContact O-N 3.1Å; K79-R81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | K | 65.4 | Low | 70.1 | Confident | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 69% | 0.692 | S | S | * | * | trans | -54.5 | 113.4 | 164.6 | -155.5 | 173.3 | -172.6 | 175.1 | 0 | 106.6 | K78 Q82 | K78-K80 PolarHBondContact O-N 3.48Å; K80-Q82 PolarHBondContact O-N 2.79Å | ||
| 81 | R | 69.1 | Low | 72.6 | Confident | 249 Ų | 249 | 141.1 Ų | 141.1 | 94% | 0.94 | 69% | 0.685 | S | S | * | * | trans | -49 | 100.7 | -171.9 | -70.5 | 173.1 | 93.9 | -163.1 | 11.8 | 110.6 | K79 R83 | K79-R81 PolarHBondContact O-N 3.1Å; K79-R81 VanDerWaalsContact O-N 3.1Å; R81-R83 PolarHBondContact O-N 3.29Å | ||
| 82 | Q | 79.2 | Confident | 75.1 | Confident | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 122.9 | 174.9 | -171.9 | 69.5 | 13 | 0 | 0 | 107.8 | K80 R84 | K80-Q82 PolarHBondContact O-N 2.79Å; Q82-R84 PolarHBondContact O-N 3.2Å |
| 83 | R | 84.2 | Confident | 77.8 | Confident | 222 Ų | 222 | 138.1 Ų | 138.1 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.3 | 177.5 | -175.8 | 178.7 | 177.6 | -159.9 | 1.5 | 108.4 | R81 Q85 | R81-R83 PolarHBondContact O-N 3.29Å; R83-Q85 PolarHBondContact O-N 3.34Å |
| 84 | R | 84.1 | Confident | 80.4 | Confident | 216 Ų | 216 | 135.9 Ų | 135.9 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.4 | 177.2 | -64.2 | -177.6 | -177 | -168.3 | -0.9 | 109.6 | Q82 R86 | Q82-R84 PolarHBondContact O-N 3.2Å; R84-R86 PolarHBondContact O-N 3.48Å |
| 85 | Q | 90.1 | Very high | 82.6 | Confident | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.8 | 177.5 | -165.9 | 59.8 | 20.1 | 0 | 0 | 110.6 | R83 | R83-Q85 PolarHBondContact O-N 3.34Š|
| 86 | R | 93.3 | Very high | 84.6 | Confident | 198 Ų | 198 | 133.8 Ų | 133.8 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 137.3 | 178.9 | -172.7 | 176.8 | -179.2 | -178.3 | -1.4 | 109.5 | R84 | R84-R86 PolarHBondContact O-N 3.48Š|
| 87 | T | 93.9 | Very high | 86.5 | Confident | 44 Ų | 44 | 128.5 Ų | 128.5 | 27% | 0.27 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 132.4 | 172.4 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | F89 L121 R125 | T87-F89 HydrophobicContact CG2-CD1 4.35Å; T87-F89 HydrophobicContact CG2-CE1 4.01Å; T87-F89 HydrophobicContact CG2-CZ 4.37Å; T87-L121 HydrophobicContact CG2-CD2 4.35Å; T87-R125 WeakPolarHBondContact OG1-CD 3.37Å; T87-R125 PolarHBondContact OG1-NH1 2.99Å |
| 88 | H | 96.1 | Very high | 88.4 | Confident | 151 Ų | 151 | 126.3 Ų | 126.3 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -102 | 129.8 | 169.3 | -72 | -110.3 | 0 | 0 | 0 | 107.9 | ||
| 89 | F | 97.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 119.8 Ų | 119.8 | 27% | 0.268 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 139.2 | 179.3 | -58.6 | -70.9 | 0 | 0 | 0 | 109.4 | T87 Q93 L94 L121 R125 W129 | T87-F89 HydrophobicContact CG2-CD1 4.35Å; T87-F89 HydrophobicContact CG2-CE1 4.01Å; T87-F89 HydrophobicContact CG2-CZ 4.37Å; F89-Q93 HydrophobicContact CB-CB 4.5Å; F89-L94 HydrophobicContact CB-CD1 4.45Å; F89-L94 HydrophobicContact CB-CD2 3.71Å; F89-L94 HydrophobicContact CB-CG 3.83Å; F89-L94 HydrophobicContact CD2-CD2 4.17Å; F89-L94 HydrophobicContact CG-CD2 4.13Å; F89-L121 HydrophobicContact CD1-CD1 3.69Å; F89-L121 HydrophobicContact CD1-CD2 3.94Å; F89-L121 HydrophobicContact CD1-CG 4.5Å; F89-L121 HydrophobicContact CE1-CD1 3.6Å; F89-L121 HydrophobicContact CE1-CD2 3.9Å; F89-L121 HydrophobicContact CE1-CG 4.4Å; F89-R125 HydrophobicContact CE1-CB 4.43Å; F89-W129 AromaticContact CD2-CD1 3.93Å; F89-W129 AromaticContact CE2-CD1 3.62Å; F89-W129 HydrophobicContact CZ-CB 4.36Å; F89-W129 AromaticContact CZ-CD1 3.95Å |
| 90 | T | 98.5 | Very high | 92 | Very high | 73 Ų | 73 | 111.5 Ų | 111.5 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 164 | 170.9 | 72.1 | 0 | 0 | 0 | 0 | 110.4 | Q92 Q93 L94 | T90-Q92 PolarHBondContact O-N 2.87Å; T90-Q93 PolarHBondContact O-N 2.75Å; T90-Q93 VanDerWaalsContact OG1-CG 3.26Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.27Å; T90-Q93 PolarHBondContact OG1-N 3.31Å; T90-L94 WeakPolarHBondContact O-CG 3.43Å; T90-L94 PolarHBondContact O-N 3.31Å; T90-L94 VanDerWaalsContact O-N 3.13Å |
| 91 | S | 98.1 | Very high | 93.6 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 70% | 0.699 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.2 | -46.4 | 177.4 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | Q93 L94 Q95 | S91-Q93 PolarHBondContact O-N 3.38Å; S91-L94 WeakPolarHBondContact O-CB 3.49Å; S91-L94 PolarHBondContact O-N 3.1Å; S91-L94 VanDerWaalsContact O-N 3.14Å; S91-Q95 PolarHBondContact O-N 3.5Å |
| 92 | Q | 98.1 | Very high | 95 | Very high | 139 Ų | 139 | 97 Ų | 97 | 65% | 0.65 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.7 | -46 | 177.5 | -174.8 | -167 | -3.5 | 0 | 0 | 111.9 | T90 L94 Q95 E96 | T90-Q92 PolarHBondContact O-N 2.87Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.45Å; Q92-Q95 WeakPolarHBondContact O-CB 3.43Å; Q92-Q95 PolarHBondContact O-N 3.48Å; Q92-Q95 VanDerWaalsContact O-N 3.16Å; Q92-E96 PolarHBondContact O-N 2.95Å; Q92-E96 VanDerWaalsContact O-N 3.07Å |
| 93 | Q | 98.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 97.3 Ų | 97.3 | 13% | 0.131 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 177.4 | -72 | 171.4 | -22.5 | 0 | 0 | 111.7 | F89 T90 S91 Q95 E96 L97 T119 | F89-Q93 HydrophobicContact CB-CB 4.5Å; T90-Q93 PolarHBondContact O-N 2.75Å; T90-Q93 VanDerWaalsContact OG1-CG 3.26Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.27Å; T90-Q93 PolarHBondContact OG1-N 3.31Å; S91-Q93 PolarHBondContact O-N 3.38Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-E96 PolarHBondContact O-N 2.93Å; Q93-L97 WeakPolarHBondContact O-CB 3.38Å; Q93-L97 WeakPolarHBondContact O-CD1 3.27Å; Q93-L97 WeakPolarHBondContact O-CG 3.34Å; Q93-L97 PolarHBondContact O-N 2.88Å; Q93-T119 PolarHBondContact NE2-O 3.27Å |
| 94 | L | 98.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 89.8 Ų | 89.8 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177.4 | -68 | 175.3 | 0 | 0 | 0 | 112.1 | F89 T90 S91 Q92 E98 W129 | F89-L94 HydrophobicContact CB-CD1 4.45Å; F89-L94 HydrophobicContact CB-CD2 3.71Å; F89-L94 HydrophobicContact CB-CG 3.83Å; F89-L94 HydrophobicContact CD2-CD2 4.17Å; F89-L94 HydrophobicContact CG-CD2 4.13Å; T90-L94 WeakPolarHBondContact O-CG 3.43Å; T90-L94 PolarHBondContact O-N 3.31Å; T90-L94 VanDerWaalsContact O-N 3.13Å; S91-L94 WeakPolarHBondContact O-CB 3.49Å; S91-L94 PolarHBondContact O-N 3.1Å; S91-L94 VanDerWaalsContact O-N 3.14Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.45Å; L94-E98 VanDerWaalsContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 PolarHBondContact O-N 3.02Å; L94-W129 HydrophobicContact CD2-CZ2 4.47Å; L94-W129 VanDerWaalsContact CD2-NE1 3.28Å |
| 95 | Q | 98.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 84.4 Ų | 84.4 | 61% | 0.607 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.8 | -48.7 | 176.7 | -179.3 | 176.6 | -29.6 | 0 | 0 | 111.2 | S91 Q92 Q93 L97 E98 A99 | S91-Q95 PolarHBondContact O-N 3.5Å; Q92-Q95 WeakPolarHBondContact O-CB 3.43Å; Q92-Q95 PolarHBondContact O-N 3.48Å; Q92-Q95 VanDerWaalsContact O-N 3.16Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.42Å; Q95-E98 PolarHBondContact O-N 3.27Å; Q95-A99 WeakPolarHBondContact O-CB 3.25Å; Q95-A99 PolarHBondContact O-N 2.89Å |
| 96 | E | 98 | Very high | 97.5 | Very high | 50 Ų | 50 | 83.6 Ų | 83.6 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.8 | -65.9 | -54.1 | 154 | 0 | 0 | 112.7 | Q92 Q93 E98 A99 T100 W118 T119 | Q92-E96 PolarHBondContact O-N 2.95Å; Q92-E96 VanDerWaalsContact O-N 3.07Å; Q93-E96 PolarHBondContact O-N 2.93Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.04Å; E96-A99 PolarHBondContact O-N 3.29Å; E96-T100 WeakPolarHBondContact O-CB 3.44Å; E96-T100 PolarHBondContact O-N 3.42Å; E96-T100 PolarHBondContact O-OG1 3.34Å; E96-W118 HydrophobicContact CB-CH2 4.25Å; E96-W118 HydrophobicContact CB-CZ2 4.01Å; E96-W118 HydrophobicContact CG-CH2 4.41Å; E96-W118 WeakPolarHBondContact OE2-CH2 3.42Å; E96-W118 WeakPolarHBondContact OE2-CZ3 3.36Å; E96-T119 HydrophobicContact CB-CG2 4.04Å |
| 97 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176 | -72 | 168.2 | 0 | 0 | 0 | 111.5 | Q93 Q95 F101 I115 L121 V126 W129 F130 | Q93-L97 WeakPolarHBondContact O-CB 3.38Å; Q93-L97 WeakPolarHBondContact O-CD1 3.27Å; Q93-L97 WeakPolarHBondContact O-CG 3.34Å; Q93-L97 PolarHBondContact O-N 2.88Å; Q95-L97 PolarHBondContact O-N 3.42Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 2.91Å; L97-I115 HydrophobicContact CD2-CG2 3.62Å; L97-L121 HydrophobicContact CD1-CD1 4.19Å; L97-V126 HydrophobicContact CD2-CG1 4.11Å; L97-W129 HydrophobicContact CB-CD2 4Å; L97-W129 HydrophobicContact CB-CE3 3.92Å; L97-W129 HydrophobicContact CB-CH2 3.62Å; L97-W129 HydrophobicContact CB-CZ2 3.65Å; L97-W129 HydrophobicContact CB-CZ3 3.75Å; L97-W129 HydrophobicContact CD1-CD2 3.87Å; L97-W129 HydrophobicContact CD1-CE3 4.46Å; L97-W129 HydrophobicContact CD1-CG 3.88Å; L97-W129 HydrophobicContact CD2-CD2 4.44Å; L97-W129 HydrophobicContact CD2-CE3 4.26Å; L97-W129 HydrophobicContact CG-CD2 4.34Å; L97-W129 HydrophobicContact CG-CE3 4.45Å; L97-F130 HydrophobicContact CD2-CE2 3.86Å |
| 98 | E | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 77.5 Ų | 77.5 | 19% | 0.192 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.7 | -42.8 | 177.4 | -168.1 | 64.2 | -142.5 | 0 | 0 | 112.2 | L94 Q95 E96 T100 F101 Q102 R133 | L94-E98 VanDerWaalsContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 PolarHBondContact O-N 3.02Å; Q95-E98 PolarHBondContact O-N 3.27Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.04Å; E98-T100 VanDerWaalsContact C-N 3.25Å; E98-T100 PolarHBondContact O-N 3.03Å; E98-F101 WeakPolarHBondContact O-CB 3.49Å; E98-F101 PolarHBondContact O-N 3.3Å; E98-F101 VanDerWaalsContact O-N 3.08Å; E98-Q102 WeakPolarHBondContact O-CG 3.4Å; E98-Q102 PolarHBondContact O-N 3.39Å; E98-R133 IonicContact OE1-CZ 2.91Å; E98-R133 IonicContact OE1-NE 3.37Å; E98-R133 PolarHBondContact OE1-NE 3.37Å; E98-R133 IonicContact OE1-NH2 3.17Å; E98-R133 PolarHBondContact OE1-NH2 3.35Å; E98-R133 WeakPolarHBondContact OE2-CD 3.4Å; E98-R133 IonicContact OE2-CZ 3.42Å; E98-R133 IonicContact OE2-NE 2.65Å; E98-R133 PolarHBondContact OE2-NE 2.96Å; E98-R133 IonicContact OE2-NH1 3.08Å; E98-R133 PolarHBondContact OE2-NH1 3.4Å; E98-R133 IonicContact OE2-NH2 2.83Å; E98-R133 PolarHBondContact OE2-NH2 3.47Å; E98-R133 VanDerWaalsContact OE2-NH2 3.08Å |
| 99 | A | 97.9 | Very high | 98 | Very high | 27 Ų | 27 | 74 Ų | 74 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q95 E96 Q102 R103 | Q95-A99 WeakPolarHBondContact O-CB 3.25Å; Q95-A99 PolarHBondContact O-N 2.89Å; E96-A99 PolarHBondContact O-N 3.29Å; A99-Q102 PolarHBondContact O-N 3.29Å; A99-R103 PolarHBondContact O-N 3.16Å |
| 100 | T | 97.5 | Very high | 98 | Very high | 8 Ų | 8 | 74 Ų | 74 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 175.9 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | E96 E98 Q102 R103 N104 I115 F130 | E96-T100 WeakPolarHBondContact O-CB 3.44Å; E96-T100 PolarHBondContact O-N 3.42Å; E96-T100 PolarHBondContact O-OG1 3.34Å; E98-T100 VanDerWaalsContact C-N 3.25Å; E98-T100 PolarHBondContact O-N 3.03Å; T100-Q102 VanDerWaalsContact C-N 3.28Å; T100-Q102 PolarHBondContact O-N 3.06Å; T100-R103 PolarHBondContact O-N 3.17Å; T100-N104 PolarHBondContact O-N 3.25Å; T100-I115 HydrophobicContact CG2-CD1 3.53Å; T100-I115 HydrophobicContact CG2-CG1 4.35Å; T100-F130 HydrophobicContact CG2-CZ 4.23Å |
| 101 | F | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 176.7 | -175.8 | -96.9 | 0 | 0 | 0 | 113.4 | L97 E98 R103 N104 R105 W129 F130 R133 R134 W137 | L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 2.91Å; E98-F101 WeakPolarHBondContact O-CB 3.49Å; E98-F101 PolarHBondContact O-N 3.3Å; E98-F101 VanDerWaalsContact O-N 3.08Å; F101-R103 VanDerWaalsContact C-N 3.34Å; F101-N104 CarbonylContact O-C 3.5Å; F101-R105 HydrophobicContact CD1-CG 4.35Å; F101-R105 HydrophobicContact CD2-CB 4.34Å; F101-R105 HydrophobicContact CD2-CG 4.26Å; F101-R105 HydrophobicContact CE1-CG 3.94Å; F101-R105 HydrophobicContact CE2-CB 3.87Å; F101-R105 HydrophobicContact CE2-CG 3.85Å; F101-R105 HydrophobicContact CG-CG 4.5Å; F101-R105 HydrophobicContact CZ-CB 4.13Å; F101-R105 HydrophobicContact CZ-CG 3.67Å; F101-R105 WeakPolarHBondContact O-CG 3.41Å; F101-W129 HydrophobicContact CB-CH2 4.44Å; F101-W129 HydrophobicContact CB-CZ3 4.27Å; F101-F130 HydrophobicContact CB-CE1 4.06Å; F101-F130 AromaticContact CD2-CD1 3.85Å; F101-F130 HydrophobicContact CD2-CD1 3.85Å; F101-F130 AromaticContact CD2-CE1 3.9Å; F101-F130 HydrophobicContact CD2-CE1 3.9Å; F101-R133 HydrophobicContact CD1-CG 3.93Å; F101-R133 HydrophobicContact CD2-CB 4.27Å; F101-R133 HydrophobicContact CD2-CG 3.59Å; F101-R133 HydrophobicContact CE1-CG 3.91Å; F101-R133 HydrophobicContact CE2-CB 4.14Å; F101-R133 HydrophobicContact CE2-CG 3.57Å; F101-R133 HydrophobicContact CG-CG 3.78Å; F101-R133 HydrophobicContact CZ-CG 3.73Å; F101-R134 HydrophobicContact CE2-CG 3.72Å; F101-R134 HydrophobicContact CZ-CG 4.25Å; F101-W137 HydrophobicContact CZ-CB 4.29Å; F101-W137 HydrophobicContact CZ-CG 4.4Å |
| 102 | Q | 97.9 | Very high | 98 | Very high | 136 Ų | 136 | 69.9 Ų | 69.9 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 176 | -69.5 | 174.4 | 14.9 | 0 | 0 | 111.8 | E98 A99 T100 | E98-Q102 WeakPolarHBondContact O-CG 3.4Å; E98-Q102 PolarHBondContact O-N 3.39Å; A99-Q102 PolarHBondContact O-N 3.29Å; T100-Q102 VanDerWaalsContact C-N 3.28Å; T100-Q102 PolarHBondContact O-N 3.06Å |
| 103 | R | 97.2 | Very high | 98 | Very high | 182 Ų | 182 | 68 Ų | 68 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -76.2 | -46 | 177.3 | -58.9 | -174.2 | -136.3 | 107.9 | 1.5 | 112.2 | A99 T100 F101 | A99-R103 PolarHBondContact O-N 3.16Å; T100-R103 PolarHBondContact O-N 3.17Å; F101-R103 VanDerWaalsContact C-N 3.34Å |
| 104 | N | 97.6 | Very high | 98 | Very high | 65 Ų | 65 | 72.8 Ų | 72.8 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -142.6 | 111.7 | -178.4 | -175.7 | 3.4 | 0 | 0 | 0 | 111.6 | T100 F101 Y106 P107 | T100-N104 PolarHBondContact O-N 3.25Å; F101-N104 CarbonylContact O-C 3.5Å; N104-Y106 VanDerWaalsContact C-N 3.3Å; N104-Y106 PolarHBondContact ND2-O 2.81Å; N104-Y106 PolarHBondContact O-N 2.82Å; N104-Y106 VanDerWaalsContact OD1-C 3.22Å; N104-Y106 PolarHBondContact OD1-N 3.12Å; N104-Y106 PolarHBondContact OD1-O 2.95Å; N104-P107 WeakPolarHBondContact ND2-CA 3.46Å | ||
| 105 | R | 97.3 | Very high | 98 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -75.7 | -18 | 179.1 | -65.3 | -179.6 | 171.7 | 74.3 | -0.2 | 113.3 | F101 R134 | F101-R105 HydrophobicContact CD1-CG 4.35Å; F101-R105 HydrophobicContact CD2-CB 4.34Å; F101-R105 HydrophobicContact CD2-CG 4.26Å; F101-R105 HydrophobicContact CE1-CG 3.94Å; F101-R105 HydrophobicContact CE2-CB 3.87Å; F101-R105 HydrophobicContact CE2-CG 3.85Å; F101-R105 HydrophobicContact CG-CG 4.5Å; F101-R105 HydrophobicContact CZ-CB 4.13Å; F101-R105 HydrophobicContact CZ-CG 3.67Å; F101-R105 WeakPolarHBondContact O-CG 3.41Å; R105-R134 WeakPolarHBondContact O-CD 3.35Å; R105-R134 PolarHBondContact O-NH1 3.16Å |
| 106 | Y | 98.1 | Very high | 98 | Very high | 146 Ų | 146 | 64 Ų | 64 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -129.3 | 70.3 | -178.1 | -64.9 | -90.7 | 0 | 0 | 0 | 110.4 | N104 | N104-Y106 VanDerWaalsContact C-N 3.3Å; N104-Y106 PolarHBondContact ND2-O 2.81Å; N104-Y106 PolarHBondContact O-N 2.82Å; N104-Y106 VanDerWaalsContact OD1-C 3.22Å; N104-Y106 PolarHBondContact OD1-N 3.12Å; N104-Y106 PolarHBondContact OD1-O 2.95Å |
| 107 | P | 97.6 | Very high | 98 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | trans | -65.2 | 138.4 | 176.1 | 28.7 | -35.8 | 0 | 0 | 0 | 110.8 | N104 T111 R112 F130 | N104-P107 WeakPolarHBondContact ND2-CA 3.46Å; P107-T111 HydrophobicContact CB-CG2 3.96Å; P107-R112 HydrophobicContact CB-CG 4.07Å; P107-R112 HydrophobicContact CG-CG 3.91Å; P107-R112 PolarHBondContact O-NH1 3.36Å; P107-F130 VanDerWaalsContact CD-CD1 3.49Å; P107-F130 HydrophobicContact CG-CD1 3.61Å; P107-F130 HydrophobicContact CG-CD2 4.03Å; P107-F130 HydrophobicContact CG-CE1 3.56Å; P107-F130 HydrophobicContact CG-CE2 4Å; P107-F130 HydrophobicContact CG-CG 3.86Å; P107-F130 HydrophobicContact CG-CZ 3.78Å | ||
| 108 | D | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 73.6 Ų | 73.6 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | trans | -76.2 | 177.9 | 175.6 | -164.7 | 16.4 | 0 | 0 | 0 | 111.6 | T111 R112 | D108-T111 PolarHBondContact O-N 3.43Å; D108-R112 VanDerWaalsContact O-CG 3.3Å; D108-R112 WeakPolarHBondContact O-CG 3.32Å; D108-R112 PolarHBondContact O-N 3.46Å | ||
| 109 | M | 97.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 72.1 Ų | 72.1 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.8 | -52.7 | -178.1 | -165.4 | 66.5 | 152.3 | 0 | 0 | 112.4 | T111 R112 E113 E123 | M109-T111 PolarHBondContact O-N 3.07Å; M109-R112 WeakPolarHBondContact O-CB 3.3Å; M109-R112 PolarHBondContact O-N 3.13Å; M109-R112 VanDerWaalsContact O-N 3.1Å; M109-R112 PolarHBondContact SD-NH2 2.6Å; M109-E113 WeakPolarHBondContact O-CG 3.49Å; M109-E113 PolarHBondContact O-N 3.32Å; M109-E123 HydrophobicContact SD-CG 4.35Å |
| 110 | S | 98.2 | Very high | 97.9 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -49.8 | -179.9 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | R112 E113 E114 | S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 PolarHBondContact O-N 2.87Å; S110-E113 WeakPolarHBondContact O-CB 3.36Å; S110-E113 PolarHBondContact O-N 2.73Å; S110-E114 PolarHBondContact O-N 3.11Å |
| 111 | T | 97.9 | Very high | 97.9 | Very high | 43 Ų | 43 | 78.7 Ų | 78.7 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 177.5 | -47.1 | 0 | 0 | 0 | 0 | 111.6 | P107 D108 M109 E113 I115 | P107-T111 HydrophobicContact CB-CG2 3.96Å; D108-T111 PolarHBondContact O-N 3.43Å; M109-T111 PolarHBondContact O-N 3.07Å; T111-E113 VanDerWaalsContact C-N 3.34Å; T111-I115 HydrophobicContact CG2-CD1 4.06Å; T111-I115 WeakPolarHBondContact O-CB 3.31Å; T111-I115 VanDerWaalsContact O-CD1 3.31Å; T111-I115 WeakPolarHBondContact O-CD1 3.43Å; T111-I115 WeakPolarHBondContact O-CG1 3.1Å; T111-I115 PolarHBondContact O-N 2.94Å |
| 112 | R | 98.4 | Very high | 97.9 | Very high | 43 Ų | 43 | 82.6 Ų | 82.6 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -33.9 | 175.3 | -72.5 | -168.9 | -57.4 | -92.9 | -2.3 | 112.5 | P107 D108 M109 S110 I115 A116 E123 V126 | P107-R112 HydrophobicContact CB-CG 4.07Å; P107-R112 HydrophobicContact CG-CG 3.91Å; P107-R112 PolarHBondContact O-NH1 3.36Å; D108-R112 VanDerWaalsContact O-CG 3.3Å; D108-R112 WeakPolarHBondContact O-CG 3.32Å; D108-R112 PolarHBondContact O-N 3.46Å; M109-R112 WeakPolarHBondContact O-CB 3.3Å; M109-R112 PolarHBondContact O-N 3.13Å; M109-R112 VanDerWaalsContact O-N 3.1Å; M109-R112 PolarHBondContact SD-NH2 2.6Å; S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 PolarHBondContact O-N 2.87Å; R112-I115 PolarHBondContact O-N 2.96Å; R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 3.49Å; R112-E123 HydrophobicContact CB-CG 4.05Å; R112-E123 IonicContact CZ-OE1 2.75Å; R112-E123 IonicContact NE-OE1 3.2Å; R112-E123 PolarHBondContact NE-OE1 3.45Å; R112-E123 IonicContact NH2-OE1 3.68Å; R112-V126 HydrophobicContact CB-CG1 4.28Å; R112-V126 HydrophobicContact CG-CG1 4.18Å |
| 113 | E | 98.4 | Very high | 97.9 | Very high | 98 Ų | 98 | 77.6 Ų | 77.6 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 176.2 | -72.3 | 172.4 | 173.1 | 0 | 0 | 111.2 | M109 S110 T111 I115 A116 V117 E123 | M109-E113 WeakPolarHBondContact O-CG 3.49Å; M109-E113 PolarHBondContact O-N 3.32Å; S110-E113 WeakPolarHBondContact O-CB 3.36Å; S110-E113 PolarHBondContact O-N 2.73Å; T111-E113 VanDerWaalsContact C-N 3.34Å; E113-I115 PolarHBondContact O-N 3.35Å; E113-A116 WeakPolarHBondContact O-CB 3.47Å; E113-A116 PolarHBondContact O-N 2.9Å; E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 3Å; E113-E123 HydrophobicContact CG-CG 4.17Å |
| 114 | E | 98.1 | Very high | 97.9 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -54.1 | -44.8 | 169.7 | -70.1 | 171.6 | -165.9 | 0 | 0 | 110.4 | S110 A116 V117 W118 | S110-E114 PolarHBondContact O-N 3.11Å; E114-A116 VanDerWaalsContact C-N 3.27Å; E114-A116 PolarHBondContact O-N 3.11Å; E114-V117 PolarHBondContact O-N 3.48Å; E114-W118 PolarHBondContact O-N 3.33Å |
| 115 | I | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 179.3 | -65.9 | 160.8 | 0 | 0 | 0 | 112.4 | L97 T100 T111 R112 E113 W118 T119 V126 F130 | L97-I115 HydrophobicContact CD2-CG2 3.62Å; T100-I115 HydrophobicContact CG2-CD1 3.53Å; T100-I115 HydrophobicContact CG2-CG1 4.35Å; T111-I115 HydrophobicContact CG2-CD1 4.06Å; T111-I115 WeakPolarHBondContact O-CB 3.31Å; T111-I115 VanDerWaalsContact O-CD1 3.31Å; T111-I115 WeakPolarHBondContact O-CD1 3.43Å; T111-I115 WeakPolarHBondContact O-CG1 3.1Å; T111-I115 PolarHBondContact O-N 2.94Å; R112-I115 PolarHBondContact O-N 2.96Å; E113-I115 PolarHBondContact O-N 3.35Å; I115-W118 HydrophobicContact CG1-CZ2 4.43Å; I115-W118 PolarHBondContact O-NE1 3.39Å; I115-W118 VanDerWaalsContact O-NE1 3.11Å; I115-T119 HydrophobicContact CG2-CG2 4.43Å; I115-T119 WeakPolarHBondContact O-CB 3.49Å; I115-T119 PolarHBondContact O-N 3.04Å; I115-T119 PolarHBondContact O-OG1 3.35Å; I115-V126 HydrophobicContact CB-CG1 4.14Å; I115-V126 HydrophobicContact CG2-CG1 3.74Å; I115-V126 HydrophobicContact CG2-CG2 4.06Å; I115-F130 HydrophobicContact CD1-CE2 4.11Å; I115-F130 HydrophobicContact CD1-CZ 4.16Å |
| 116 | A | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R112 E113 E114 N120 L121 E123 V126 | R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 3.49Å; E113-A116 WeakPolarHBondContact O-CB 3.47Å; E113-A116 PolarHBondContact O-N 2.9Å; E114-A116 VanDerWaalsContact C-N 3.27Å; E114-A116 PolarHBondContact O-N 3.11Å; A116-N120 WeakPolarHBondContact O-CA 3.38Å; A116-N120 PolarHBondContact O-N 2.85Å; A116-N120 VanDerWaalsContact O-N 3.07Å; A116-L121 CarbonylContact C-O 3.47Å; A116-L121 WeakPolarHBondContact CA-O 3.42Å; A116-L121 VanDerWaalsContact CB-O 3.27Å; A116-L121 WeakPolarHBondContact CB-O 3.26Å; A116-L121 PolarHBondContact O-N 3.27Å; A116-L121 VanDerWaalsContact O-O 3.07Å; A116-E123 HydrophobicContact CB-CB 4.38Å; A116-V126 HydrophobicContact CB-CG2 4.16Å |
| 117 | V | 98.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 72% | 0.721 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.7 | -60.3 | -178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | E113 E114 T119 N120 | E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 3Å; E114-V117 PolarHBondContact O-N 3.48Å; V117-T119 VanDerWaalsContact C-N 3.33Å; V117-T119 PolarHBondContact O-N 3.36Å; V117-N120 PolarHBondContact O-N 2.83Å; V117-N120 VanDerWaalsContact O-N 3.13Å |
| 118 | W | 97.3 | Very high | 98 | Very high | 134 Ų | 134 | 68 Ų | 68 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -23.2 | -176 | 74.7 | -30.1 | 0 | 0 | 0 | 114.6 | E96 E114 I115 | E96-W118 HydrophobicContact CB-CH2 4.25Å; E96-W118 HydrophobicContact CB-CZ2 4.01Å; E96-W118 HydrophobicContact CG-CH2 4.41Å; E96-W118 WeakPolarHBondContact OE2-CH2 3.42Å; E96-W118 WeakPolarHBondContact OE2-CZ3 3.36Å; E114-W118 PolarHBondContact O-N 3.33Å; I115-W118 HydrophobicContact CG1-CZ2 4.43Å; I115-W118 PolarHBondContact O-NE1 3.39Å; I115-W118 VanDerWaalsContact O-NE1 3.11Å |
| 119 | T | 97.4 | Very high | 98 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -91.7 | -3.3 | 174.2 | 61 | 0 | 0 | 0 | 0 | 113.4 | Q93 E96 I115 V117 L121 | Q93-T119 PolarHBondContact NE2-O 3.27Å; E96-T119 HydrophobicContact CB-CG2 4.04Å; I115-T119 HydrophobicContact CG2-CG2 4.43Å; I115-T119 WeakPolarHBondContact O-CB 3.49Å; I115-T119 PolarHBondContact O-N 3.04Å; I115-T119 PolarHBondContact O-OG1 3.35Å; V117-T119 VanDerWaalsContact C-N 3.33Å; V117-T119 PolarHBondContact O-N 3.36Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 3.38Å; T119-L121 WeakPolarHBondContact OG1-CD1 3.48Å |
| 120 | N | 98.1 | Very high | 98 | Very high | 148 Ų | 148 | 60.6 Ų | 60.6 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 46.4 | -173.1 | -158.8 | 37.1 | 0 | 0 | 0 | 113.1 | A116 V117 | A116-N120 WeakPolarHBondContact O-CA 3.38Å; A116-N120 PolarHBondContact O-N 2.85Å; A116-N120 VanDerWaalsContact O-N 3.07Å; V117-N120 PolarHBondContact O-N 2.83Å; V117-N120 VanDerWaalsContact O-N 3.13Å |
| 121 | L | 97.2 | Very high | 98 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 32% | 0.316 | C | S | . | . | trans | -117.6 | 163.7 | 175.8 | -65.6 | 174.4 | 0 | 0 | 0 | 109.3 | T87 F89 L97 A116 T119 V126 | T87-L121 HydrophobicContact CG2-CD2 4.35Å; F89-L121 HydrophobicContact CD1-CD1 3.69Å; F89-L121 HydrophobicContact CD1-CD2 3.94Å; F89-L121 HydrophobicContact CD1-CG 4.5Å; F89-L121 HydrophobicContact CE1-CD1 3.6Å; F89-L121 HydrophobicContact CE1-CD2 3.9Å; F89-L121 HydrophobicContact CE1-CG 4.4Å; L97-L121 HydrophobicContact CD1-CD1 4.19Å; A116-L121 CarbonylContact C-O 3.47Å; A116-L121 WeakPolarHBondContact CA-O 3.42Å; A116-L121 VanDerWaalsContact CB-O 3.27Å; A116-L121 WeakPolarHBondContact CB-O 3.26Å; A116-L121 PolarHBondContact O-N 3.27Å; A116-L121 VanDerWaalsContact O-O 3.07Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 3.38Å; T119-L121 WeakPolarHBondContact OG1-CD1 3.48Å; L121-V126 HydrophobicContact CB-CG2 4.2Å | ||
| 122 | T | 98 | Very high | 98 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | trans | -81.6 | 147.2 | 168.3 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | A124 R125 V126 | T122-A124 PolarHBondContact O-N 3.37Å; T122-A124 VanDerWaalsContact O-N 3.12Å; T122-R125 WeakPolarHBondContact O-CA 3.41Å; T122-R125 WeakPolarHBondContact O-CB 3.43Å; T122-R125 PolarHBondContact O-N 3.48Å; T122-R125 VanDerWaalsContact OG1-CG 3.27Å; T122-R125 WeakPolarHBondContact OG1-CG 3.11Å; T122-V126 PolarHBondContact O-N 2.9Å | ||
| 123 | E | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 15% | 0.15 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.4 | -40.3 | 176.1 | -178.7 | -79.1 | 157 | 0 | 0 | 111.3 | M109 R112 E113 A116 R125 V126 R127 | M109-E123 HydrophobicContact SD-CG 4.35Å; R112-E123 HydrophobicContact CB-CG 4.05Å; R112-E123 IonicContact CZ-OE1 2.75Å; R112-E123 IonicContact NE-OE1 3.2Å; R112-E123 PolarHBondContact NE-OE1 3.45Å; R112-E123 IonicContact NH2-OE1 3.68Å; E113-E123 HydrophobicContact CG-CG 4.17Å; A116-E123 HydrophobicContact CB-CB 4.38Å; E123-R125 VanDerWaalsContact C-N 3.25Å; E123-R125 PolarHBondContact O-N 2.85Å; E123-V126 WeakPolarHBondContact O-CB 3.43Å; E123-V126 PolarHBondContact O-N 2.98Å; E123-V126 VanDerWaalsContact O-N 3.16Å; E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 2.92Å; E123-R127 IonicContact OE1-CZ 3.59Å; E123-R127 VanDerWaalsContact OE1-CZ 3.29Å; E123-R127 IonicContact OE1-NE 3.3Å; E123-R127 PolarHBondContact OE1-NE 3.44Å; E123-R127 IonicContact OE1-NH2 3.7Å; E123-R127 PolarHBondContact OE1-NH2 3.33Å; E123-R127 IonicContact OE2-CZ 3.29Å; E123-R127 VanDerWaalsContact OE2-CZ 3.3Å; E123-R127 IonicContact OE2-NE 2.88Å; E123-R127 PolarHBondContact OE2-NE 3.46Å; E123-R127 IonicContact OE2-NH2 2.87Å; E123-R127 PolarHBondContact OE2-NH2 3.29Å |
| 124 | A | 97.4 | Very high | 98 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -34.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T122 V128 | T122-A124 PolarHBondContact O-N 3.37Å; T122-A124 VanDerWaalsContact O-N 3.12Å; A124-V128 VanDerWaalsContact O-CG2 3.25Å; A124-V128 WeakPolarHBondContact O-CG2 3.15Å; A124-V128 PolarHBondContact O-N 3.5Å |
| 125 | R | 97.8 | Very high | 98 | Very high | 69 Ų | 69 | 60 Ų | 60 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73 | -42.2 | 176.1 | -65.7 | -62.9 | 138.3 | 138.6 | -2.9 | 111.7 | T87 F89 T122 E123 R127 V128 W129 | T87-R125 WeakPolarHBondContact OG1-CD 3.37Å; T87-R125 PolarHBondContact OG1-NH1 2.99Å; F89-R125 HydrophobicContact CE1-CB 4.43Å; T122-R125 WeakPolarHBondContact O-CA 3.41Å; T122-R125 WeakPolarHBondContact O-CB 3.43Å; T122-R125 PolarHBondContact O-N 3.48Å; T122-R125 VanDerWaalsContact OG1-CG 3.27Å; T122-R125 WeakPolarHBondContact OG1-CG 3.11Å; E123-R125 VanDerWaalsContact C-N 3.25Å; E123-R125 PolarHBondContact O-N 2.85Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R125-V128 PolarHBondContact O-N 3.17Å; R125-W129 WeakPolarHBondContact O-CB 3.4Å; R125-W129 PolarHBondContact O-N 2.96Å |
| 126 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.8 | -49.8 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | L97 R112 I115 A116 L121 T122 E123 V128 W129 F130 | L97-V126 HydrophobicContact CD2-CG1 4.11Å; R112-V126 HydrophobicContact CB-CG1 4.28Å; R112-V126 HydrophobicContact CG-CG1 4.18Å; I115-V126 HydrophobicContact CB-CG1 4.14Å; I115-V126 HydrophobicContact CG2-CG1 3.74Å; I115-V126 HydrophobicContact CG2-CG2 4.06Å; A116-V126 HydrophobicContact CB-CG2 4.16Å; L121-V126 HydrophobicContact CB-CG2 4.2Å; T122-V126 PolarHBondContact O-N 2.9Å; E123-V126 WeakPolarHBondContact O-CB 3.43Å; E123-V126 PolarHBondContact O-N 2.98Å; E123-V126 VanDerWaalsContact O-N 3.16Å; V126-V128 PolarHBondContact O-N 3.29Å; V126-W129 WeakPolarHBondContact O-CB 3.48Å; V126-W129 PolarHBondContact O-N 3.02Å; V126-W129 VanDerWaalsContact O-N 3.11Å; V126-F130 HydrophobicContact CG1-CD2 3.7Å; V126-F130 HydrophobicContact CG1-CE2 3.71Å; V126-F130 WeakPolarHBondContact O-CD2 3.28Å; V126-F130 PolarHBondContact O-N 3.13Å |
| 127 | R | 98.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 69.5 Ų | 69.5 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.5 | -48.9 | 176.5 | -171.1 | -167.9 | -59.4 | -179.7 | -3.2 | 112.7 | E123 R125 W129 F130 K131 | E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 2.92Å; E123-R127 IonicContact OE1-CZ 3.59Å; E123-R127 VanDerWaalsContact OE1-CZ 3.29Å; E123-R127 IonicContact OE1-NE 3.3Å; E123-R127 PolarHBondContact OE1-NE 3.44Å; E123-R127 IonicContact OE1-NH2 3.7Å; E123-R127 PolarHBondContact OE1-NH2 3.33Å; E123-R127 IonicContact OE2-CZ 3.29Å; E123-R127 VanDerWaalsContact OE2-CZ 3.3Å; E123-R127 IonicContact OE2-NE 2.88Å; E123-R127 PolarHBondContact OE2-NE 3.46Å; E123-R127 IonicContact OE2-NH2 2.87Å; E123-R127 PolarHBondContact OE2-NH2 3.29Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R127-W129 VanDerWaalsContact C-N 3.35Å; R127-F130 PolarHBondContact O-N 3.37Å; R127-K131 WeakPolarHBondContact O-CB 3.35Å; R127-K131 PolarHBondContact O-N 2.8Å |
| 128 | V | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 69.7 Ų | 69.7 | 39% | 0.394 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | A124 R125 V126 K131 N132 | A124-V128 VanDerWaalsContact O-CG2 3.25Å; A124-V128 WeakPolarHBondContact O-CG2 3.15Å; A124-V128 PolarHBondContact O-N 3.5Å; R125-V128 PolarHBondContact O-N 3.17Å; V126-V128 PolarHBondContact O-N 3.29Å; V128-K131 PolarHBondContact O-N 3.05Å; V128-N132 PolarHBondContact O-N 3.04Å; V128-N132 PolarHBondContact O-ND2 3.41Å |
| 129 | W | 98.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 70.5 Ų | 70.5 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 176.5 | -172.5 | 102.2 | 0 | 0 | 0 | 111.2 | F89 L94 L97 F101 R125 V126 R127 K131 N132 R133 | F89-W129 AromaticContact CD2-CD1 3.93Å; F89-W129 AromaticContact CE2-CD1 3.62Å; F89-W129 HydrophobicContact CZ-CB 4.36Å; F89-W129 AromaticContact CZ-CD1 3.95Å; L94-W129 HydrophobicContact CD2-CZ2 4.47Å; L94-W129 VanDerWaalsContact CD2-NE1 3.28Å; L97-W129 HydrophobicContact CB-CD2 4Å; L97-W129 HydrophobicContact CB-CE3 3.92Å; L97-W129 HydrophobicContact CB-CH2 3.62Å; L97-W129 HydrophobicContact CB-CZ2 3.65Å; L97-W129 HydrophobicContact CB-CZ3 3.75Å; L97-W129 HydrophobicContact CD1-CD2 3.87Å; L97-W129 HydrophobicContact CD1-CE3 4.46Å; L97-W129 HydrophobicContact CD1-CG 3.88Å; L97-W129 HydrophobicContact CD2-CD2 4.44Å; L97-W129 HydrophobicContact CD2-CE3 4.26Å; L97-W129 HydrophobicContact CG-CD2 4.34Å; L97-W129 HydrophobicContact CG-CE3 4.45Å; F101-W129 HydrophobicContact CB-CH2 4.44Å; F101-W129 HydrophobicContact CB-CZ3 4.27Å; R125-W129 WeakPolarHBondContact O-CB 3.4Å; R125-W129 PolarHBondContact O-N 2.96Å; V126-W129 WeakPolarHBondContact O-CB 3.48Å; V126-W129 PolarHBondContact O-N 3.02Å; V126-W129 VanDerWaalsContact O-N 3.11Å; R127-W129 VanDerWaalsContact C-N 3.35Å; W129-K131 VanDerWaalsContact C-N 3.32Å; W129-K131 PolarHBondContact O-N 3.48Å; W129-N132 PolarHBondContact O-N 3.49Å; W129-N132 VanDerWaalsContact O-N 3.13Å; W129-R133 HydrophobicContact CE3-CB 4.05Å; W129-R133 HydrophobicContact CH2-CB 4.11Å; W129-R133 HydrophobicContact CH2-CG 3.8Å; W129-R133 HydrophobicContact CZ3-CB 3.8Å; W129-R133 HydrophobicContact CZ3-CG 3.83Å; W129-R133 WeakPolarHBondContact O-CB 3.33Å; W129-R133 PolarHBondContact O-N 3.14Å |
| 130 | F | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 178.3 | -89 | -88.9 | 0 | 0 | 0 | 112.2 | L97 T100 F101 P107 I115 V126 R127 R133 R134 | L97-F130 HydrophobicContact CD2-CE2 3.86Å; T100-F130 HydrophobicContact CG2-CZ 4.23Å; F101-F130 HydrophobicContact CB-CE1 4.06Å; F101-F130 AromaticContact CD2-CD1 3.85Å; F101-F130 HydrophobicContact CD2-CD1 3.85Å; F101-F130 AromaticContact CD2-CE1 3.9Å; F101-F130 HydrophobicContact CD2-CE1 3.9Å; P107-F130 VanDerWaalsContact CD-CD1 3.49Å; P107-F130 HydrophobicContact CG-CD1 3.61Å; P107-F130 HydrophobicContact CG-CD2 4.03Å; P107-F130 HydrophobicContact CG-CE1 3.56Å; P107-F130 HydrophobicContact CG-CE2 4Å; P107-F130 HydrophobicContact CG-CG 3.86Å; P107-F130 HydrophobicContact CG-CZ 3.78Å; I115-F130 HydrophobicContact CD1-CE2 4.11Å; I115-F130 HydrophobicContact CD1-CZ 4.16Å; V126-F130 HydrophobicContact CG1-CD2 3.7Å; V126-F130 HydrophobicContact CG1-CE2 3.71Å; V126-F130 WeakPolarHBondContact O-CD2 3.28Å; V126-F130 PolarHBondContact O-N 3.13Å; R127-F130 PolarHBondContact O-N 3.37Å; F130-R133 PolarHBondContact O-N 3.13Å; F130-R134 WeakPolarHBondContact O-CG 3.41Å; F130-R134 PolarHBondContact O-N 3.27Å |
| 131 | K | 98.3 | Very high | 96.5 | Very high | 126 Ų | 126 | 73.1 Ų | 73.1 | 55% | 0.548 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 174 | -172.2 | 176.1 | 69.1 | 177.2 | 0 | 111.7 | R127 V128 W129 A135 | R127-K131 WeakPolarHBondContact O-CB 3.35Å; R127-K131 PolarHBondContact O-N 2.8Å; V128-K131 PolarHBondContact O-N 3.05Å; W129-K131 VanDerWaalsContact C-N 3.32Å; W129-K131 PolarHBondContact O-N 3.48Å; K131-A135 PolarHBondContact O-N 3.08Å |
| 132 | N | 98.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 80.2 Ų | 80.2 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 178.7 | -72.2 | -18.1 | 0 | 0 | 0 | 112 | V128 W129 A135 K136 | V128-N132 PolarHBondContact O-N 3.04Å; V128-N132 PolarHBondContact O-ND2 3.41Å; W129-N132 PolarHBondContact O-N 3.49Å; W129-N132 VanDerWaalsContact O-N 3.13Å; N132-A135 PolarHBondContact O-N 2.96Å; N132-K136 PolarHBondContact O-N 3.07Å |
| 133 | R | 98.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 80.4 Ų | 80.4 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.9 | -174.8 | 66.4 | -168.5 | 172.2 | -1.3 | 111.1 | E98 F101 W129 F130 A135 K136 W137 | E98-R133 IonicContact OE1-CZ 2.91Å; E98-R133 IonicContact OE1-NE 3.37Å; E98-R133 PolarHBondContact OE1-NE 3.37Å; E98-R133 IonicContact OE1-NH2 3.17Å; E98-R133 PolarHBondContact OE1-NH2 3.35Å; E98-R133 WeakPolarHBondContact OE2-CD 3.4Å; E98-R133 IonicContact OE2-CZ 3.42Å; E98-R133 IonicContact OE2-NE 2.65Å; E98-R133 PolarHBondContact OE2-NE 2.96Å; E98-R133 IonicContact OE2-NH1 3.08Å; E98-R133 PolarHBondContact OE2-NH1 3.4Å; E98-R133 IonicContact OE2-NH2 2.83Å; E98-R133 PolarHBondContact OE2-NH2 3.47Å; E98-R133 VanDerWaalsContact OE2-NH2 3.08Å; F101-R133 HydrophobicContact CD1-CG 3.93Å; F101-R133 HydrophobicContact CD2-CB 4.27Å; F101-R133 HydrophobicContact CD2-CG 3.59Å; F101-R133 HydrophobicContact CE1-CG 3.91Å; F101-R133 HydrophobicContact CE2-CB 4.14Å; F101-R133 HydrophobicContact CE2-CG 3.57Å; F101-R133 HydrophobicContact CG-CG 3.78Å; F101-R133 HydrophobicContact CZ-CG 3.73Å; W129-R133 HydrophobicContact CE3-CB 4.05Å; W129-R133 HydrophobicContact CH2-CB 4.11Å; W129-R133 HydrophobicContact CH2-CG 3.8Å; W129-R133 HydrophobicContact CZ3-CB 3.8Å; W129-R133 HydrophobicContact CZ3-CG 3.83Å; W129-R133 WeakPolarHBondContact O-CB 3.33Å; W129-R133 PolarHBondContact O-N 3.14Å; F130-R133 PolarHBondContact O-N 3.13Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.48Å; R133-K136 PolarHBondContact O-N 2.81Å; R133-W137 PolarHBondContact O-N 3.48Å |
| 134 | R | 97.9 | Very high | 94 | Very high | 49 Ų | 49 | 84.6 Ų | 84.6 | 19% | 0.185 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.2 | -71.6 | -165.2 | -63.9 | -90.7 | 5 | 113.1 | F101 R105 F130 W137 R138 | F101-R134 HydrophobicContact CE2-CG 3.72Å; F101-R134 HydrophobicContact CZ-CG 4.25Å; R105-R134 WeakPolarHBondContact O-CD 3.35Å; R105-R134 PolarHBondContact O-NH1 3.16Å; F130-R134 WeakPolarHBondContact O-CG 3.41Å; F130-R134 PolarHBondContact O-N 3.27Å; R134-W137 PolarHBondContact O-N 3.21Å; R134-R138 PolarHBondContact O-N 3.38Å |
| 135 | A | 97.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 88.5 Ų | 88.5 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K131 N132 R133 K139 | K131-A135 PolarHBondContact O-N 3.08Å; N132-A135 PolarHBondContact O-N 2.96Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.48Å; A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 PolarHBondContact O-N 3.35Å |
| 136 | K | 96.5 | Very high | 91.3 | Very high | 144 Ų | 144 | 87.4 Ų | 87.4 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 173.9 | -73.1 | -176 | 177.8 | -175.4 | 0 | 112 | N132 R133 K139 R140 | N132-K136 PolarHBondContact O-N 3.07Å; R133-K136 PolarHBondContact O-N 2.81Å; K136-K139 PolarHBondContact O-N 2.98Å; K136-R140 PolarHBondContact O-N 3.17Å |
| 137 | W | 95.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 27% | 0.269 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.4 | -51.2 | 178.2 | -179.2 | 81.2 | 0 | 0 | 0 | 111.5 | F101 R133 R134 K139 R140 E141 | F101-W137 HydrophobicContact CZ-CB 4.29Å; F101-W137 HydrophobicContact CZ-CG 4.4Å; R133-W137 PolarHBondContact O-N 3.48Å; R134-W137 PolarHBondContact O-N 3.21Å; W137-K139 VanDerWaalsContact C-N 3.29Å; W137-K139 PolarHBondContact O-N 3.42Å; W137-R140 WeakPolarHBondContact O-CB 3.44Å; W137-R140 PolarHBondContact O-N 3.08Å; W137-R140 VanDerWaalsContact O-N 3.12Å; W137-E141 WeakPolarHBondContact CH2-OE1 3.28Å; W137-E141 WeakPolarHBondContact CZ2-OE1 3.43Å; W137-E141 PolarHBondContact O-N 3.35Å |
| 138 | R | 95.7 | Very high | 87.9 | Confident | 124 Ų | 124 | 92 Ų | 92 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 174.7 | -72.3 | -171.9 | -77.8 | 101.2 | -4.4 | 113.2 | R134 R142 | R134-R138 PolarHBondContact O-N 3.38Å; R138-R142 PolarHBondContact O-N 2.83Å |
| 139 | K | 93.9 | Very high | 86 | Confident | 150 Ų | 150 | 93.7 Ų | 93.7 | 65% | 0.652 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 176.6 | -173.4 | 173.3 | -178.5 | 180 | 0 | 111.7 | A135 K136 W137 R142 N143 | A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 PolarHBondContact O-N 3.35Å; K136-K139 PolarHBondContact O-N 2.98Å; W137-K139 VanDerWaalsContact C-N 3.29Å; W137-K139 PolarHBondContact O-N 3.42Å; K139-R142 PolarHBondContact O-N 3.44Å; K139-N143 PolarHBondContact O-N 3.49Å; K139-N143 VanDerWaalsContact O-N 3.08Å |
| 140 | R | 90.8 | Very high | 83.8 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 50% | 0.502 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 178 | -172.5 | -173.1 | -68.1 | 142.3 | -5.8 | 111.5 | K136 W137 N143 Q144 | K136-R140 PolarHBondContact O-N 3.17Å; W137-R140 WeakPolarHBondContact O-CB 3.44Å; W137-R140 PolarHBondContact O-N 3.08Å; W137-R140 VanDerWaalsContact O-N 3.12Å; R140-N143 PolarHBondContact O-N 3.38Å; R140-Q144 WeakPolarHBondContact O-CG 3.48Å; R140-Q144 PolarHBondContact O-N 2.9Å |
| 141 | E | 83.9 | Confident | 81.6 | Confident | 79 Ų | 79 | 105.1 Ų | 105.1 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.7 | -68.1 | -176.6 | 152.7 | 0 | 0 | 112.5 | W137 N143 Q144 Q145 | W137-E141 WeakPolarHBondContact CH2-OE1 3.28Å; W137-E141 WeakPolarHBondContact CZ2-OE1 3.43Å; W137-E141 PolarHBondContact O-N 3.35Å; E141-N143 VanDerWaalsContact C-N 3.33Å; E141-N143 PolarHBondContact O-N 2.94Å; E141-Q144 PolarHBondContact O-N 3.2Å; E141-Q145 PolarHBondContact O-N 3.18Å |
| 142 | R | 82.3 | Confident | 79.1 | Confident | 174 Ų | 174 | 101.8 Ų | 101.8 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 176.7 | -169.7 | -169.8 | -56.7 | 164.6 | -1.2 | 112.6 | R138 K139 Q145 A146 | R138-R142 PolarHBondContact O-N 2.83Å; K139-R142 PolarHBondContact O-N 3.44Å; R142-Q145 PolarHBondContact O-N 2.94Å; R142-A146 PolarHBondContact O-N 3.18Å |
| 143 | N | 79.8 | Confident | 76.7 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | -179.9 | -158.3 | 0.1 | 0 | 0 | 0 | 111.1 | K139 R140 E141 Q145 A146 E147 | K139-N143 PolarHBondContact O-N 3.49Å; K139-N143 VanDerWaalsContact O-N 3.08Å; R140-N143 PolarHBondContact O-N 3.38Å; E141-N143 VanDerWaalsContact C-N 3.33Å; E141-N143 PolarHBondContact O-N 2.94Å; N143-Q145 VanDerWaalsContact C-N 3.3Å; N143-Q145 PolarHBondContact O-N 3.42Å; N143-A146 PolarHBondContact O-N 3.3Å; N143-A146 VanDerWaalsContact O-N 3.14Å; N143-E147 WeakPolarHBondContact O-CG 3.29Å; N143-E147 PolarHBondContact O-N 3.48Å |
| 144 | Q | 78.6 | Confident | 74 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 174.8 | -73.3 | -178.9 | 102.6 | 0 | 0 | 112.6 | R140 E141 L148 | R140-Q144 WeakPolarHBondContact O-CG 3.48Å; R140-Q144 PolarHBondContact O-N 2.9Å; E141-Q144 PolarHBondContact O-N 3.2Å; Q144-L148 WeakPolarHBondContact O-CG 3.2Å; Q144-L148 PolarHBondContact O-N 3.31Å; Q144-L148 VanDerWaalsContact O-N 3.16Å |
| 145 | Q | 69.6 | Low | 71.8 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -38.2 | 174.6 | -67.8 | 172.8 | 15.6 | 0 | 0 | 112.5 | E141 R142 N143 L148 C149 | E141-Q145 PolarHBondContact O-N 3.18Å; R142-Q145 PolarHBondContact O-N 2.94Å; N143-Q145 VanDerWaalsContact C-N 3.3Å; N143-Q145 PolarHBondContact O-N 3.42Å; Q145-L148 PolarHBondContact O-N 2.94Å; Q145-C149 PolarHBondContact O-N 2.97Å; Q145-C149 PolarHBondContact O-SG 2.65Å |
| 146 | A | 70.1 | Confident | 69.6 | Low | 45 Ų | 45 | 116.9 Ų | 116.9 | 37% | 0.372 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.2 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R142 N143 C149 K150 | R142-A146 PolarHBondContact O-N 3.18Å; N143-A146 PolarHBondContact O-N 3.3Å; N143-A146 VanDerWaalsContact O-N 3.14Å; A146-C149 PolarHBondContact O-N 3.24Å; A146-K150 PolarHBondContact O-N 3.37Å; A146-K150 VanDerWaalsContact O-N 3.15Å |
| 147 | E | 63.7 | Low | 66.9 | Low | 81 Ų | 81 | 119.3 Ų | 119.3 | 38% | 0.379 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -40.5 | 175.6 | -64.1 | -60 | 120 | 0 | 0 | 110.9 | N143 C149 K150 N151 | N143-E147 WeakPolarHBondContact O-CG 3.29Å; N143-E147 PolarHBondContact O-N 3.48Å; E147-C149 VanDerWaalsContact C-N 3.28Å; E147-C149 PolarHBondContact O-N 3.08Å; E147-K150 WeakPolarHBondContact O-CB 2.93Å; E147-K150 PolarHBondContact O-N 2.85Å; E147-K150 IonicContact OE1-NZ 2.82Å; E147-K150 PolarHBondContact OE1-NZ 2.95Å; E147-N151 PolarHBondContact O-N 3.22Å; E147-N151 PolarHBondContact O-OD1 3.02Å |
| 148 | L | 60.9 | Low | 64.7 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.2 | -35.6 | 173.5 | -70.4 | 167.1 | 0 | 0 | 0 | 113.3 | Q144 Q145 | Q144-L148 WeakPolarHBondContact O-CG 3.2Å; Q144-L148 PolarHBondContact O-N 3.31Å; Q144-L148 VanDerWaalsContact O-N 3.16Å; Q145-L148 PolarHBondContact O-N 2.94Å |
| 149 | C | 58.6 | Low | 62.4 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.6 | -21.4 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 114 | Q145 A146 E147 | Q145-C149 PolarHBondContact O-N 2.97Å; Q145-C149 PolarHBondContact O-SG 2.65Å; A146-C149 PolarHBondContact O-N 3.24Å; E147-C149 VanDerWaalsContact C-N 3.28Å; E147-C149 PolarHBondContact O-N 3.08Å |
| 150 | K | 52.4 | Low | 60.4 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 59% | 0.591 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.7 | -30.5 | 172.6 | -78.7 | 174.3 | -179.3 | 170.8 | 0 | 112.6 | A146 E147 G152 | A146-K150 PolarHBondContact O-N 3.37Å; A146-K150 VanDerWaalsContact O-N 3.15Å; E147-K150 WeakPolarHBondContact O-CB 2.93Å; E147-K150 PolarHBondContact O-N 2.85Å; E147-K150 IonicContact OE1-NZ 2.82Å; E147-K150 PolarHBondContact OE1-NZ 2.95Å; K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.2Å |
| 151 | N | 51.4 | Low | 58.3 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5.3 | 179.6 | -71.5 | 77.3 | 0 | 0 | 0 | 113.8 | E147 | E147-N151 PolarHBondContact O-N 3.22Å; E147-N151 PolarHBondContact O-OD1 3.02Å |
| 152 | G | 45.1 | Very low | 56.7 | Low | 56 Ų | 56 | 127.6 Ų | 127.6 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -13.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | K150 | K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.2Å |
| 153 | F | 47.9 | Very low | 55.2 | Low | 191 Ų | 191 | 124.1 Ų | 124.1 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -135.6 | 102.1 | 176.1 | -79.5 | -89.3 | 0 | 0 | 0 | 108.8 | ||
| 154 | G | 43.1 | Very low | 53.6 | Low | 57 Ų | 57 | 128.5 Ų | 128.5 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | trans | -62.9 | 167.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q156 | G154-Q156 PolarHBondContact O-N 3.26Š| ||
| 155 | P | 50 | Low | 52.5 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -81.3 | 46.6 | -177.3 | 37.6 | -36.6 | 0 | 0 | 0 | 112.1 | ||
| 156 | Q | 51.4 | Low | 51.7 | Low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -95.8 | -4.6 | -179.5 | -62.8 | -70.7 | 62.6 | 0 | 0 | 113.4 | G154 | G154-Q156 PolarHBondContact O-N 3.26Š| ||
| 157 | F | 41 | Very low | 51 | Low | 194 Ų | 194 | 135.3 Ų | 135.3 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -111.7 | 30.1 | -179.9 | -160.9 | -101.1 | 0 | 0 | 0 | 113.1 | ||
| 158 | N | 48.2 | Very low | 50 | Low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -108.3 | 18.6 | -179 | -131.9 | 65.3 | 0 | 0 | 0 | 113.6 | ||||
| 159 | G | 47.3 | Very low | 49.2 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -112.9 | 0.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 160 | L | 51.8 | Low | 48.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -122.5 | -2 | -173.6 | -94.5 | 173 | 0 | 0 | 0 | 116.8 | ||
| 161 | M | 46.3 | Very low | 48.1 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -107.6 | 99.3 | 171.6 | -84.9 | -108.2 | 62.9 | 0 | 0 | 109.5 | ||||
| 162 | Q | 50.8 | Low | 48 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -55.6 | 136.1 | 164.5 | -70.7 | -79.7 | -39.2 | 0 | 0 | 109.4 | Y164 | Q162-Y164 PolarHBondContact O-N 2.9Š| ||
| 163 | P | 52.1 | Low | 47.8 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -73.5 | 110.1 | 175.4 | 12.5 | -2.2 | 0 | 0 | 0 | 109.4 | D165 | P163-D165 VanDerWaalsContact C-N 3.29Å; P163-D165 PolarHBondContact O-N 2.86Å | ||
| 164 | Y | 45.8 | Very low | 47.8 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -95.9 | 53.7 | 172.1 | -152.9 | -89.5 | 0 | 0 | 0 | 109.7 | Q162 M167 | Q162-Y164 PolarHBondContact O-N 2.9Å; Y164-M167 HydrophobicContact CD1-CB 4.49Å; Y164-M167 HydrophobicContact CE1-CB 3.87Å; Y164-M167 HydrophobicContact CE1-CE 4.37Å; Y164-M167 HydrophobicContact CE1-SD 4.23Å; Y164-M167 PolarHBondContact OH-SD 3.43Å; Y164-M167 VanDerWaalsContact OH-SD 3.33Å | ||
| 165 | D | 55.3 | Low | 48.2 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -100.9 | -7.4 | -177.6 | -81.4 | -75.2 | 0 | 0 | 0 | 113.4 | P163 | P163-D165 VanDerWaalsContact C-N 3.29Å; P163-D165 PolarHBondContact O-N 2.86Å | ||
| 166 | D | 52.3 | Low | 48.3 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -3.3 | -175.4 | -73 | -40.5 | 0 | 0 | 0 | 115.1 | ||
| 167 | M | 54.8 | Low | 48.2 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 64% | 0.635 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 14.5 | -175 | -147.6 | -165.9 | 82.8 | 0 | 0 | 115.2 | Y164 | Y164-M167 HydrophobicContact CD1-CB 4.49Å; Y164-M167 HydrophobicContact CE1-CB 3.87Å; Y164-M167 HydrophobicContact CE1-CE 4.37Å; Y164-M167 HydrophobicContact CE1-SD 4.23Å; Y164-M167 PolarHBondContact OH-SD 3.43Å; Y164-M167 VanDerWaalsContact OH-SD 3.33Å |
| 168 | Y | 43 | Very low | 48.4 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | -155.1 | 111.1 | 171.4 | -136.6 | -96.4 | 0 | 0 | 0 | 112.4 | S170 | Y168-S170 VanDerWaalsContact C-N 3.28Å; Y168-S170 PolarHBondContact O-N 3.35Å | ||
| 169 | P | 45 | Very low | 48.2 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -71.3 | 85.8 | 168.9 | -7.8 | 23.5 | 0 | 0 | 0 | 109.1 | Y171 | P169-Y171 PolarHBondContact O-N 3.45Š| ||
| 170 | S | 41.9 | Very low | 48.3 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -77.4 | 119.3 | 173.1 | -156 | 0 | 0 | 0 | 0 | 109.4 | Y168 T172 | Y168-S170 VanDerWaalsContact C-N 3.28Å; Y168-S170 PolarHBondContact O-N 3.35Å; S170-T172 PolarHBondContact O-N 2.96Å | ||
| 171 | Y | 46.1 | Very low | 48.1 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | trans | -50.3 | 106.6 | 176.3 | -94.4 | -98.5 | 0 | 0 | 0 | 110.8 | P169 Y173 | P169-Y171 PolarHBondContact O-N 3.45Å; Y171-Y173 PolarHBondContact O-N 3.14Å; Y171-Y173 VanDerWaalsContact O-N 3.08Å | ||
| 172 | T | 49.1 | Very low | 48 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | trans | -80.6 | 88.9 | 176 | -70.8 | 0 | 0 | 0 | 0 | 109.5 | S170 N175 | S170-T172 PolarHBondContact O-N 2.96Å; T172-N175 HydrophobicContact CG2-CB 3.66Å; T172-N175 VanDerWaalsContact CG2-ND2 3.28Å; T172-N175 WeakPolarHBondContact CG2-ND2 3.11Å | ||
| 173 | Y | 40.2 | Very low | 47.8 | Very low | 210 Ų | 210 | 138.8 Ų | 138.8 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -101.8 | 110 | 165.3 | -158.2 | -108.4 | 0 | 0 | 0 | 108.6 | Y171 | Y171-Y173 PolarHBondContact O-N 3.14Å; Y171-Y173 VanDerWaalsContact O-N 3.08Å | ||
| 174 | N | 49 | Very low | 47.3 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 60% | 0.599 | 74% | 0.735 | S | S | * | * | trans | 86.9 | 82 | 179.1 | -52.5 | -70.7 | 0 | 0 | 0 | 117.3 | ||||
| 175 | N | 50.5 | Low | 47.1 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | trans | -115 | 50.2 | 175.5 | -134.2 | -49.9 | 0 | 0 | 0 | 113.4 | T172 A178 | T172-N175 HydrophobicContact CG2-CB 3.66Å; T172-N175 VanDerWaalsContact CG2-ND2 3.28Å; T172-N175 WeakPolarHBondContact CG2-ND2 3.11Å; N175-A178 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 176 | W | 51.8 | Low | 46.5 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83.7 | -15.5 | 174.8 | 54.9 | -86.6 | 0 | 0 | 0 | 113.5 | ||
| 177 | A | 49.7 | Very low | 46.1 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -111.9 | -9.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 178 | A | 45.4 | Very low | 45.6 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | trans | -99.5 | 9.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N175 G180 | N175-A178 WeakPolarHBondContact OD1-CB 3.39Å; A178-G180 PolarHBondContact O-N 2.83Å; A178-G180 VanDerWaalsContact O-N 3.1Å | ||
| 179 | K | 45.1 | Very low | 45.8 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 78.8 | 168 | 53.7 | 164.5 | -176 | -65.4 | 0 | 110.7 | ||
| 180 | G | 48.9 | Very low | 45.4 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.8 | -6.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | A178 | A178-G180 PolarHBondContact O-N 2.83Å; A178-G180 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 47.3 | Very low | 45.8 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -131.6 | 6.3 | -174.4 | -67.9 | 173.7 | 0 | 0 | 0 | 115.8 | ||
| 182 | T | 44.5 | Very low | 46.3 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -97.3 | 123.2 | 161.2 | 60 | 0 | 0 | 0 | 0 | 107.7 | A184 | T182-A184 VanDerWaalsContact C-N 3.31Å; T182-A184 PolarHBondContact O-N 3.33Å |
| 183 | S | 45.8 | Very low | 46.5 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -57.4 | 97.9 | 166.9 | -52.1 | 0 | 0 | 0 | 0 | 107.6 | S185 | S183-S185 PolarHBondContact O-N 3.04Š| ||
| 184 | A | 41.8 | Very low | 46.7 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -67.6 | 99.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | T182 L186 | T182-A184 VanDerWaalsContact C-N 3.31Å; T182-A184 PolarHBondContact O-N 3.33Å; A184-L186 PolarHBondContact O-N 3.08Å | ||
| 185 | S | 41.2 | Very low | 46.5 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -49.7 | 129.3 | 146.2 | -174.4 | 0 | 0 | 0 | 0 | 106.3 | S183 S187 | S183-S185 PolarHBondContact O-N 3.04Å; S185-S187 PolarHBondContact O-N 3.32Å | ||
| 186 | L | 43.3 | Very low | 46.4 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -64 | 77.8 | -173.7 | -66.7 | 166 | 0 | 0 | 0 | 110.4 | A184 T188 | A184-L186 PolarHBondContact O-N 3.08Å; L186-T188 PolarHBondContact O-N 3.42Å | ||
| 187 | S | 43.9 | Very low | 46.2 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | trans | -75.5 | 102.7 | 162 | 175.3 | 0 | 0 | 0 | 0 | 106.2 | S185 K189 | S185-S187 PolarHBondContact O-N 3.32Å; S187-K189 VanDerWaalsContact C-N 3.28Å; S187-K189 PolarHBondContact O-N 3.5Å | ||
| 188 | T | 43.5 | Very low | 46.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -63.6 | 87.8 | 174.4 | 44.5 | 0 | 0 | 0 | 0 | 109.3 | L186 S190 | L186-T188 PolarHBondContact O-N 3.42Å; T188-S190 PolarHBondContact O-N 3.32Å | ||
| 189 | K | 47.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 86 | 163.6 | -37.1 | -79.8 | 177.2 | 165.1 | 0 | 106.3 | S187 F191 | S187-K189 VanDerWaalsContact C-N 3.28Å; S187-K189 PolarHBondContact O-N 3.5Å; K189-F191 PolarHBondContact O-N 3.27Å | ||
| 190 | S | 38.1 | Very low | 46.5 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | trans | -61.3 | 123.2 | 178.3 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | T188 | T188-S190 PolarHBondContact O-N 3.32Š| ||
| 191 | F | 48.5 | Very low | 46.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -82.4 | 133.6 | 167.1 | -77.8 | -86.1 | 0 | 0 | 0 | 108.3 | K189 F193 F194 | K189-F191 PolarHBondContact O-N 3.27Å; F191-F193 PolarHBondContact O-N 3.12Å; F191-F194 PolarHBondContact O-N 3.49Å | ||
| 192 | P | 57.1 | Low | 45.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -65.7 | -9.7 | -170.9 | 24.4 | -33.5 | 0 | 0 | 0 | 114.7 | F194 | P192-F194 PolarHBondContact O-N 3.1Š|
| 193 | F | 54 | Low | 45.9 | Very low | 187 Ų | 187 | 132 Ų | 132 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74.8 | -20.4 | -177.4 | -170.6 | -103.8 | 0 | 0 | 0 | 114.5 | F191 | F191-F193 PolarHBondContact O-N 3.12Š|
| 194 | F | 44.5 | Very low | 45.6 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -106.2 | 5.8 | -173 | -108.6 | -90.2 | 0 | 0 | 0 | 115.3 | F191 P192 S196 | F191-F194 PolarHBondContact O-N 3.49Å; P192-F194 PolarHBondContact O-N 3.1Å; F194-S196 PolarHBondContact O-N 2.85Å; F194-S196 VanDerWaalsContact O-N 3.14Å |
| 195 | N | 45.4 | Very low | 45.6 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -0.3 | -176.1 | -100.2 | -58.6 | 0 | 0 | 0 | 115.5 | ||
| 196 | S | 48.2 | Very low | 45.5 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 7.3 | -173.1 | -154.4 | 0 | 0 | 0 | 0 | 115.7 | F194 | F194-S196 PolarHBondContact O-N 2.85Å; F194-S196 VanDerWaalsContact O-N 3.14Å |
| 197 | M | 46.4 | Very low | 45.4 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -123.2 | 85.8 | 170.3 | -74.8 | -86.5 | 128.3 | 0 | 0 | 108.6 | V199 | M197-V199 PolarHBondContact O-N 2.85Å; M197-V199 VanDerWaalsContact O-N 3.16Å |
| 198 | N | 49.6 | Very low | 45.3 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 104.6 | 171.3 | -179.8 | 16.4 | 0 | 0 | 0 | 109.7 | ||||
| 199 | V | 49.9 | Very low | 45.4 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -123.4 | 104.4 | 161.6 | -67.4 | 0 | 0 | 0 | 0 | 108.6 | M197 | M197-V199 PolarHBondContact O-N 2.85Å; M197-V199 VanDerWaalsContact O-N 3.16Å | ||
| 200 | N | 46.4 | Very low | 45.4 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -54 | 130 | 171.3 | -103 | 7.8 | 0 | 0 | 0 | 111.1 | L202 | N200-L202 PolarHBondContact O-N 3.18Š| ||
| 201 | P | 44 | Very low | 46 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -87.5 | 97.9 | 156 | 31.2 | -26.6 | 0 | 0 | 0 | 109.1 | S203 | P201-S203 PolarHBondContact O-N 3.16Š| ||
| 202 | L | 36.7 | Very low | 45.9 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 124.4 | 169.2 | -175.6 | 63.9 | 0 | 0 | 0 | 109.4 | N200 | N200-L202 PolarHBondContact O-N 3.18Š| ||
| 203 | S | 48.3 | Very low | 44.9 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -39.1 | 128.6 | 164.8 | 41 | 0 | 0 | 0 | 0 | 113.3 | P201 | P201-S203 PolarHBondContact O-N 3.16Š| ||
| 204 | S | 39.8 | Very low | 44.4 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -144.9 | 133.7 | 161.5 | -74.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 205 | Q | 41 | Very low | 44 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -76 | 150.9 | -165.5 | -55.7 | -170.2 | 63.5 | 0 | 0 | 112.1 | M207 | Q205-M207 PolarHBondContact O-N 3.08Š| ||
| 206 | T | 40.6 | Very low | 43.5 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 107.4 | 168.9 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 207 | M | 39.9 | Very low | 43.1 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | -113 | 106.7 | 164.5 | -72.5 | -105 | -92.9 | 0 | 0 | 107.3 | Q205 | Q205-M207 PolarHBondContact O-N 3.08Š| ||
| 208 | F | 42.6 | Very low | 42.8 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | 168.7 | 106.7 | 138.5 | -109.3 | -89.2 | 0 | 0 | 0 | 109.9 | ||||
| 209 | S | 45.4 | Very low | 42.3 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 143.6 | 158 | -61.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 210 | P | 47 | Very low | 41.5 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 143 | 169.4 | 30.4 | -29.5 | 0 | 0 | 0 | 111.3 | ||
| 211 | P | 51.3 | Low | 41 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 140.9 | -177.2 | 32.6 | -32.4 | 0 | 0 | 0 | 113.4 | ||
| 212 | N | 44.8 | Very low | 40.7 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 137.4 | 160 | -75.7 | -39.8 | 0 | 0 | 0 | 110 | ||
| 213 | S | 37.9 | Very low | 41.2 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -142.6 | 101.9 | 161.8 | -67.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 214 | I | 42.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | 59 | 115.3 | 88.5 | -53.6 | 173.4 | 0 | 0 | 0 | 114.6 | |||||
| 215 | S | 36 | Very low | 40.6 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | 157.2 | 142 | 131 | -72.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 216 | S | 36.4 | Very low | 40.4 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | cis | -174.1 | 167.6 | 0.9 | 31.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 217 | M | 39.4 | Very low | 40.1 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 147 | -170.3 | -54.6 | -169.9 | 152.8 | 0 | 0 | 115.7 | ||||
| 218 | T | 39.7 | Very low | 39.9 | Very low | 145 Ų | 145 | 129 Ų | 129 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -140.5 | 127 | 137.3 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 219 | S | 39.7 | Very low | 40 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -80.5 | 149.5 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 220 | S | 32.3 | Very low | 40 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 178 | 146.3 | 121.8 | 37.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 221 | M | 37.1 | Very low | 39.4 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 152.7 | 179.9 | 47.9 | -98.5 | 166 | 0 | 0 | 117.3 | ||||
| 222 | V | 36.6 | Very low | 39.1 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -53.6 | 161.1 | 158.7 | 116.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 223 | P | 47.6 | Very low | 38.7 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -148.2 | 158.1 | 48 | 31.7 | -7 | 0 | 0 | 0 | 120.2 | ||||
| 224 | S | 38.1 | Very low | 38.9 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 33.5 | 123.3 | 131.5 | -131.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 225 | A | 37.1 | Very low | 38.9 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | 177.3 | 108.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 226 | V | 37.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 125 Ų | 125 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | 86.4 | 118.9 | 92.7 | 88.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 227 | T | 33.6 | Very low | 38.8 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | 58.6 | 131.2 | 147.9 | 49.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 228 | G | 35.8 | Very low | 38.8 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 140.7 | 78.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 229 | V | 44.8 | Very low | 38.7 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 38 | 140.8 | 132.6 | -175.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 230 | P | 45.7 | Very low | 38.8 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -94.4 | 160.6 | -160.7 | 37.6 | -28.9 | 0 | 0 | 0 | 114.1 | ||||
| 231 | G | 35 | Very low | 39.1 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -144.1 | 111.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 232 | S | 43.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -56.2 | 144.4 | 177.6 | -43.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 233 | S | 37.7 | Very low | 39.2 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -165.8 | 149.9 | 144.4 | 40.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | L | 40.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 128 Ų | 128 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -79.8 | 158 | -163 | -64 | 150.1 | 0 | 0 | 0 | 113.3 | ||||
| 235 | N | 42.4 | Very low | 38.7 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 152.3 | 97.4 | 141.6 | -79.7 | -38.6 | 0 | 0 | 0 | 107.9 | ||||
| 236 | S | 34.2 | Very low | 39.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 46.8 | 101.5 | 87.7 | -159.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 237 | L | 35.9 | Very low | 39.4 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | 171.2 | 126.4 | 122.3 | -86.5 | 151 | 0 | 0 | 0 | 110.6 | |||||
| 238 | N | 41.4 | Very low | 39.7 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | 70.6 | 103.6 | 145.1 | -66 | -34.2 | 0 | 0 | 0 | 120.8 | ||||
| 239 | N | 36.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | 74.7 | 101.4 | 112 | -150.6 | -4.6 | 0 | 0 | 0 | 116.7 | |||||
| 240 | L | 41.3 | Very low | 39.7 | Very low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -172.7 | 118.6 | 106.7 | -113.7 | 77.2 | 0 | 0 | 0 | 109.5 | N242 | L240-N242 PolarHBondContact O-N 2.82Š| |||
| 241 | N | 39.5 | Very low | 39.3 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 116.2 | 173.6 | -72.6 | -65.9 | 0 | 0 | 0 | 111.4 | ||||
| 242 | N | 37.4 | Very low | 39.8 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -173 | 98.5 | 139 | -137.2 | -38 | 0 | 0 | 0 | 111.5 | L240 | L240-N242 PolarHBondContact O-N 2.82Š| ||
| 243 | L | 38.7 | Very low | 40.1 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 175 | 140.9 | 132.4 | -122.8 | 65.1 | 0 | 0 | 0 | 110.9 | ||||
| 244 | S | 36.7 | Very low | 40.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 92.7 | 108.1 | 153.3 | -34.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 245 | N | 39.1 | Very low | 41.1 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 19.9 | 141.1 | 141.3 | -98.6 | 10.5 | 0 | 0 | 0 | 120 | ||||
| 246 | P | 45.8 | Very low | 41.2 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | -139.6 | 147.8 | 93.2 | 34.9 | -20.4 | 0 | 0 | 0 | 115.3 | |||||
| 247 | S | 41.2 | Very low | 41.5 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -42.8 | 138.4 | 153.6 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 248 | L | 40.4 | Very low | 42.3 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -174.8 | 122.1 | 140.8 | -96.4 | 167.7 | 0 | 0 | 0 | 109.9 | ||||
| 249 | N | 45.3 | Very low | 42.8 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 13.5 | 124.9 | 153.8 | -80.4 | -29.3 | 0 | 0 | 0 | 120.3 | ||||
| 250 | S | 36.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -153.8 | 96.5 | 132.1 | -164.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 251 | G | 37.4 | Very low | 44.3 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 123.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 252 | V | 45.3 | Very low | 44.9 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 124.7 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 253 | P | 49.2 | Very low | 45.9 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -85 | 117.5 | 172.2 | 30.9 | -26.9 | 0 | 0 | 0 | 109.6 | ||
| 254 | T | 50.3 | Low | 46.8 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 142.6 | 159 | 51.5 | 0 | 0 | 0 | 0 | 108.9 | A256 | T254-A256 PolarHBondContact O-N 3.35Š|
| 255 | P | 49.3 | Very low | 47.5 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 124.7 | -175.9 | 28.5 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 256 | A | 43.2 | Very low | 47.8 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 134.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | T254 | T254-A256 PolarHBondContact O-N 3.35Š|
| 257 | C | 42.4 | Very low | 47.9 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146.3 | 176.7 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | Y259 | C257-Y259 PolarHBondContact O-N 2.9Š|
| 258 | P | 52.3 | Low | 48.1 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -82.5 | 7.3 | -164.3 | -10 | 27.9 | 0 | 0 | 0 | 116.8 | ||
| 259 | Y | 51.4 | Low | 48.4 | Very low | 223 Ų | 223 | 131.5 Ų | 131.5 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | -135.4 | 44.1 | -169 | -83.8 | -83 | 0 | 0 | 0 | 114.7 | C257 | C257-Y259 PolarHBondContact O-N 2.9Š| ||
| 260 | A | 49.3 | Very low | 48.2 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -103 | 123.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | P | 58.8 | Low | 49 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | trans | -69.1 | 153.9 | 174.2 | 28.1 | -32.4 | 0 | 0 | 0 | 111.2 | T263 | P261-T263 PolarHBondContact O-N 2.97Å; P261-T263 VanDerWaalsContact O-N 3.08Å | ||
| 262 | P | 52.2 | Low | 49.7 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -63.7 | 113 | -174.6 | 24.3 | -32.4 | 0 | 0 | 0 | 111.3 | ||||
| 263 | T | 59.4 | Low | 50.1 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 134 | 169 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | P261 | P261-T263 PolarHBondContact O-N 2.97Å; P261-T263 VanDerWaalsContact O-N 3.08Å |
| 264 | P | 57.3 | Low | 50.3 | Low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 149.8 | 176.2 | 25.9 | -33 | 0 | 0 | 0 | 111.3 | Y266 | P264-Y266 PolarHBondContact O-N 2.89Š|
| 265 | P | 52.1 | Low | 51 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -68.1 | 125.8 | -172.9 | 28.9 | -33.2 | 0 | 0 | 0 | 109.9 | V267 | P265-V267 PolarHBondContact O-N 3.39Š|
| 266 | Y | 45.2 | Very low | 51.9 | Low | 186 Ų | 186 | 124.2 Ų | 124.2 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | trans | 43.9 | 77.3 | 150.8 | -157.4 | -105.5 | 0 | 0 | 0 | 115.6 | P264 Y268 | P264-Y266 PolarHBondContact O-N 2.89Å; Y266-Y268 VanDerWaalsContact C-N 3.34Å; Y266-Y268 AromaticContact CE1-CD2 3.54Å; Y266-Y268 HydrophobicContact CE1-CD2 3.54Å; Y266-Y268 HydrophobicContact CE1-CE2 4.47Å; Y266-Y268 HydrophobicContact CE1-CG 4.26Å; Y266-Y268 AromaticContact CZ-CD2 3.9Å; Y266-Y268 PolarHBondContact O-N 3.05Å | ||
| 267 | V | 46.5 | Very low | 53 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | trans | -67.2 | 103.2 | 151.2 | -75.5 | 0 | 0 | 0 | 0 | 107 | P265 R269 | P265-V267 PolarHBondContact O-N 3.39Å; V267-R269 VanDerWaalsContact C-N 3.29Å; V267-R269 PolarHBondContact O-N 3.14Å | ||
| 268 | Y | 45.7 | Very low | 54.4 | Low | 152 Ų | 152 | 119.5 Ų | 119.5 | 60% | 0.596 | 67% | 0.674 | S | S | * | * | trans | -54.3 | 99.8 | 163.1 | -166.6 | -116.3 | 0 | 0 | 0 | 107.1 | Y266 D270 | Y266-Y268 VanDerWaalsContact C-N 3.34Å; Y266-Y268 AromaticContact CE1-CD2 3.54Å; Y266-Y268 HydrophobicContact CE1-CD2 3.54Å; Y266-Y268 HydrophobicContact CE1-CE2 4.47Å; Y266-Y268 HydrophobicContact CE1-CG 4.26Å; Y266-Y268 AromaticContact CZ-CD2 3.9Å; Y266-Y268 PolarHBondContact O-N 3.05Å; Y268-D270 HydrophobicContact CD1-CB 4.42Å; Y268-D270 VanDerWaalsContact CD1-CG 3.44Å; Y268-D270 WeakPolarHBondContact CD1-OD1 3.47Å; Y268-D270 WeakPolarHBondContact CD1-OD2 3.45Å; Y268-D270 VanDerWaalsContact CE1-CG 3.44Å; Y268-D270 WeakPolarHBondContact CE1-OD1 3.49Å; Y268-D270 PolarHBondContact O-N 3.21Å | ||
| 269 | R | 46.5 | Very low | 55.5 | Low | 215 Ų | 215 | 118.5 Ų | 118.5 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | trans | -75.2 | 87.6 | 165.9 | -82.4 | -71.7 | -176.1 | 170.5 | 1.3 | 105.5 | V267 T271 | V267-R269 VanDerWaalsContact C-N 3.29Å; V267-R269 PolarHBondContact O-N 3.14Å; R269-T271 VanDerWaalsContact C-N 3.29Å; R269-T271 PolarHBondContact O-N 3.35Å | ||
| 270 | D | 42.3 | Very low | 56.6 | Low | 77 Ų | 77 | 116 Ų | 116 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | trans | -54 | 101.1 | 156 | -84.5 | -59.2 | 0 | 0 | 0 | 107.5 | Y268 C272 N273 | Y268-D270 HydrophobicContact CD1-CB 4.42Å; Y268-D270 VanDerWaalsContact CD1-CG 3.44Å; Y268-D270 WeakPolarHBondContact CD1-OD1 3.47Å; Y268-D270 WeakPolarHBondContact CD1-OD2 3.45Å; Y268-D270 VanDerWaalsContact CE1-CG 3.44Å; Y268-D270 WeakPolarHBondContact CE1-OD1 3.49Å; Y268-D270 PolarHBondContact O-N 3.21Å; D270-C272 PolarHBondContact O-N 3.36Å; D270-N273 HydrophobicContact CB-CB 3.49Å; D270-N273 VanDerWaalsContact CB-CB 3.49Å; D270-N273 PolarHBondContact O-N 3.33Å | ||
| 271 | T | 52 | Low | 57.6 | Low | 141 Ų | 141 | 117.6 Ų | 117.6 | 87% | 0.865 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -4.7 | 172.8 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | R269 | R269-T271 VanDerWaalsContact C-N 3.29Å; R269-T271 PolarHBondContact O-N 3.35Å |
| 272 | C | 52.1 | Low | 58.1 | Low | 122 Ų | 122 | 119 Ų | 119 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 7 | -177 | -61.5 | 0 | 0 | 0 | 0 | 116 | D270 | D270-C272 PolarHBondContact O-N 3.36Š|
| 273 | N | 53.9 | Low | 58.7 | Low | 100 Ų | 100 | 115.9 Ų | 115.9 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | trans | -106.3 | 46 | -177.8 | -162.4 | 3 | 0 | 0 | 0 | 114.2 | D270 S275 | D270-N273 HydrophobicContact CB-CB 3.49Å; D270-N273 VanDerWaalsContact CB-CB 3.49Å; D270-N273 PolarHBondContact O-N 3.33Å; N273-S275 VanDerWaalsContact C-N 3.27Å; N273-S275 PolarHBondContact O-N 3.07Å | ||
| 274 | S | 53 | Low | 58.7 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 58% | 0.58 | 63% | 0.628 | S | S | * | * | trans | -92.4 | 68.9 | 158.2 | 66.2 | 0 | 0 | 0 | 0 | 108.6 | L276 | S274-L276 PolarHBondContact O-N 2.98Š| ||
| 275 | S | 66.4 | Low | 58.8 | Low | 57 Ų | 57 | 120.7 Ų | 120.7 | 40% | 0.399 | 63% | 0.628 | S | S | . | * | trans | -51 | 136.3 | 164.7 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | N273 A277 S278 L279 | N273-S275 VanDerWaalsContact C-N 3.27Å; N273-S275 PolarHBondContact O-N 3.07Å; S275-A277 PolarHBondContact O-N 2.82Å; S275-A277 PolarHBondContact OG-N 2.86Å; S275-S278 WeakPolarHBondContact O-CA 3.41Å; S275-S278 WeakPolarHBondContact O-CB 2.98Å; S275-S278 PolarHBondContact O-N 2.94Å; S275-L279 PolarHBondContact O-N 3.33Å | ||
| 276 | L | 67.5 | Low | 58.9 | Low | 104 Ų | 104 | 120.7 Ų | 120.7 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.3 | -24.4 | -178.3 | -142.8 | 151 | 0 | 0 | 0 | 111 | S274 R280 | S274-L276 PolarHBondContact O-N 2.98Å; L276-R280 HydrophobicContact CD2-CG 4.39Å; L276-R280 VanDerWaalsContact O-CG 3.29Å; L276-R280 WeakPolarHBondContact O-CG 3.36Å; L276-R280 PolarHBondContact O-N 3.41Å |
| 277 | A | 67.3 | Low | 59.2 | Low | 50 Ų | 50 | 117 Ų | 117 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.6 | -48.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S275 L279 R280 L281 | S275-A277 PolarHBondContact O-N 2.82Å; S275-A277 PolarHBondContact OG-N 2.86Å; A277-L279 VanDerWaalsContact C-N 3.34Å; A277-L279 PolarHBondContact O-N 3.33Å; A277-R280 PolarHBondContact O-N 2.68Å; A277-L281 PolarHBondContact O-N 3.24Å |
| 278 | S | 72 | Confident | 59.4 | Low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.6 | -40.6 | 179.3 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | S275 L281 K282 | S275-S278 WeakPolarHBondContact O-CA 3.41Å; S275-S278 WeakPolarHBondContact O-CB 2.98Å; S275-S278 PolarHBondContact O-N 2.94Å; S278-L281 PolarHBondContact O-N 3.41Å; S278-K282 WeakPolarHBondContact O-CB 3.48Å; S278-K282 PolarHBondContact O-N 3.46Å |
| 279 | L | 74.8 | Confident | 59.7 | Low | 102 Ų | 102 | 117.4 Ų | 117.4 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.3 | -41.7 | 175.4 | -75.3 | 164.8 | 0 | 0 | 0 | 112.1 | S275 A277 K282 A283 | S275-L279 PolarHBondContact O-N 3.33Å; A277-L279 VanDerWaalsContact C-N 3.34Å; A277-L279 PolarHBondContact O-N 3.33Å; L279-K282 PolarHBondContact O-N 3.04Å; L279-A283 WeakPolarHBondContact O-CB 3.37Å; L279-A283 PolarHBondContact O-N 3.25Å |
| 280 | R | 74.3 | Confident | 59.6 | Low | 171 Ų | 171 | 110.4 Ų | 110.4 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.2 | -41.1 | 176.8 | -75.8 | 176.1 | 177.6 | 136.3 | -2.3 | 112.5 | L276 A277 A283 K284 | L276-R280 HydrophobicContact CD2-CG 4.39Å; L276-R280 VanDerWaalsContact O-CG 3.29Å; L276-R280 WeakPolarHBondContact O-CG 3.36Å; L276-R280 PolarHBondContact O-N 3.41Å; A277-R280 PolarHBondContact O-N 2.68Å; R280-A283 PolarHBondContact O-N 3.43Å; R280-K284 PolarHBondContact O-N 3.41Å; R280-K284 VanDerWaalsContact O-N 3.17Å |
| 281 | L | 70.3 | Confident | 59.7 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62 | -44.8 | 174.1 | -95.4 | 136.1 | 0 | 0 | 0 | 111.3 | A277 S278 A283 K284 Q285 | A277-L281 PolarHBondContact O-N 3.24Å; S278-L281 PolarHBondContact O-N 3.41Å; L281-A283 PolarHBondContact O-N 3.31Å; L281-K284 PolarHBondContact O-N 3.16Å; L281-Q285 WeakPolarHBondContact O-CG 3.48Å; L281-Q285 PolarHBondContact O-N 2.98Å |
| 282 | K | 70.2 | Confident | 59.1 | Low | 137 Ų | 137 | 115.7 Ų | 115.7 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 176 | -163.8 | 84.6 | 173.4 | 179.8 | 0 | 111.9 | S278 L279 K284 Q285 H286 | S278-K282 WeakPolarHBondContact O-CB 3.48Å; S278-K282 PolarHBondContact O-N 3.46Å; L279-K282 PolarHBondContact O-N 3.04Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 3.46Å; K282-Q285 PolarHBondContact O-N 3.19Å; K282-H286 PolarHBondContact O-CD2 3.02Å; K282-H286 PolarHBondContact O-N 3.15Å |
| 283 | A | 63.3 | Low | 58.6 | Low | 67 Ų | 67 | 113.4 Ų | 113.4 | 55% | 0.554 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.8 | -33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L279 R280 L281 Q285 H286 | L279-A283 WeakPolarHBondContact O-CB 3.37Å; L279-A283 PolarHBondContact O-N 3.25Å; R280-A283 PolarHBondContact O-N 3.43Å; L281-A283 PolarHBondContact O-N 3.31Å; A283-Q285 VanDerWaalsContact C-N 3.33Å; A283-H286 PolarHBondContact O-N 2.77Å |
| 284 | K | 60.7 | Low | 58.1 | Low | 183 Ų | 183 | 115.5 Ų | 115.5 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71 | -28.8 | 177.3 | -134.5 | 173.6 | 167.1 | -157.6 | 0 | 112.7 | R280 L281 K282 | R280-K284 PolarHBondContact O-N 3.41Å; R280-K284 VanDerWaalsContact O-N 3.17Å; L281-K284 PolarHBondContact O-N 3.16Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 3.46Å |
| 285 | Q | 59.3 | Low | 57.6 | Low | 157 Ų | 157 | 120.6 Ų | 120.6 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.1 | -24.5 | 178.3 | -66.1 | -94.7 | -51.5 | 0 | 0 | 113 | L281 K282 A283 | L281-Q285 WeakPolarHBondContact O-CG 3.48Å; L281-Q285 PolarHBondContact O-N 2.98Å; K282-Q285 PolarHBondContact O-N 3.19Å; A283-Q285 VanDerWaalsContact C-N 3.33Å |
| 286 | H | 53.8 | Low | 56.1 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 57% | 0.569 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 3.3 | 178.1 | -71.8 | -80 | 0 | 0 | 0 | 114.2 | K282 A283 S288 | K282-H286 PolarHBondContact O-CD2 3.02Å; K282-H286 PolarHBondContact O-N 3.15Å; A283-H286 PolarHBondContact O-N 2.77Å; H286-S288 PolarHBondContact O-N 3.22Å |
| 287 | S | 50.7 | Low | 55.1 | Low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -2.2 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 288 | S | 51.7 | Low | 54.1 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -119.7 | 52.9 | -178.3 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | H286 | H286-S288 PolarHBondContact O-N 3.22Š| ||
| 289 | F | 52.6 | Low | 52.9 | Low | 180 Ų | 180 | 131.6 Ų | 131.6 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | trans | -96.6 | 88.8 | 152.9 | -103.3 | -91.1 | 0 | 0 | 0 | 107 | Y291 | F289-Y291 PolarHBondContact O-N 3.44Š| ||
| 290 | G | 44.2 | Very low | 52.1 | Low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A292 | G290-A292 PolarHBondContact O-N 3.43Š|
| 291 | Y | 42.9 | Very low | 51 | Low | 235 Ų | 235 | 134.6 Ų | 134.6 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118.9 | 161.4 | -79.2 | -90.1 | 0 | 0 | 0 | 107.3 | F289 G293 | F289-Y291 PolarHBondContact O-N 3.44Å; Y291-G293 PolarHBondContact O-N 3.42Å |
| 292 | A | 39.9 | Very low | 49.8 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 125.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | G290 V294 | G290-A292 PolarHBondContact O-N 3.43Å; A292-V294 PolarHBondContact O-N 2.94Å |
| 293 | G | 43 | Very low | 48.4 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y291 Q295 | Y291-G293 PolarHBondContact O-N 3.42Å; G293-Q295 PolarHBondContact O-N 3.33Å |
| 294 | V | 42.7 | Very low | 48 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 112 | 162.5 | -167 | 0 | 0 | 0 | 0 | 106 | A292 N296 | A292-V294 PolarHBondContact O-N 2.94Å; V294-N296 PolarHBondContact O-N 3.41Å | ||
| 295 | Q | 42.2 | Very low | 47.5 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -62.6 | 130 | 169.9 | -69.3 | -170.5 | 10.2 | 0 | 0 | 109 | G293 | G293-Q295 PolarHBondContact O-N 3.33Š| ||
| 296 | N | 35.4 | Very low | 46.6 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -128 | 126.4 | 166.1 | -153.9 | 15.6 | 0 | 0 | 0 | 107.4 | V294 | V294-N296 PolarHBondContact O-N 3.41Š| ||
| 297 | P | 46 | Very low | 46.5 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -82 | 132.5 | -177.6 | 31.7 | -29.5 | 0 | 0 | 0 | 110.8 | ||||
| 298 | A | 47.1 | Very low | 46.7 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 48.1 | 107.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 299 | T | 45.5 | Very low | 46.5 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | -151.9 | 110.9 | 122.1 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 300 | N | 57.6 | Low | 46.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -58.1 | 123.5 | 165.8 | -108 | -84.4 | 0 | 0 | 0 | 109.8 | ||||
| 301 | L | 51.9 | Low | 46.9 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 119.7 | 144.2 | -82.1 | -173.7 | 0 | 0 | 0 | 110.1 | ||||
| 302 | S | 45.3 | Very low | 47.5 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -70.5 | 135.4 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 303 | A | 41.7 | Very low | 47.9 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -108.1 | 74.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 304 | C | 54 | Low | 48.2 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 71% | 0.709 | 84% | 0.836 | S | S | * | * | trans | -131.7 | 147.1 | 158.5 | -74.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 305 | Q | 51 | Low | 48.5 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | 85.4 | 96 | -179 | -122.5 | 67.4 | 24.6 | 0 | 0 | 115.3 | ||||
| 306 | Y | 39.9 | Very low | 48.9 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | -154.6 | 110.3 | 116.6 | -104.8 | -77.4 | 0 | 0 | 0 | 108.6 | |||||
| 307 | A | 50.8 | Low | 49.7 | Very low | 69 Ų | 69 | 145.3 Ų | 145.3 | 57% | 0.57 | 83% | 0.832 | S | S | * | * | trans | -113 | 151.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 308 | V | 54.8 | Low | 49.9 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 74% | 0.739 | 84% | 0.838 | S | S | * | * | trans | 69.6 | 112.4 | 158.8 | -141.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 309 | D | 48.9 | Very low | 50.1 | Low | 146 Ų | 146 | 151.4 Ų | 151.4 | 78% | 0.781 | 84% | 0.844 | S | S | * | * | 159.2 | 128 | 107.9 | -97.1 | -51.7 | 0 | 0 | 0 | 111.1 | |||||
| 310 | R | 42.4 | Very low | 50.5 | Low | 242 Ų | 242 | 151.8 Ų | 151.8 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | -139.8 | 113.1 | 164.5 | -130.1 | 177.4 | -171.7 | -171.5 | 1 | 107.8 | ||||
| 311 | P | 61.4 | Low | 49.9 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | trans | -83.8 | 163.5 | 179.1 | 33.9 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 312 | V | 56.6 | Low | 49.7 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 100% | 1.315 | 83% | 0.831 | S | S | * | * | trans | -43.2 | 0 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 115.3 |
Retrieved 312 of 312 residues in 79.2 ms
(Link to these results)