| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.4 | Very low | 47.6 | Very low | 241 Ų | 241 | 150 Ų | 150 | 100% | 1.187 | 80% | 0.801 | S | S | * | * | 0 | 122 | 0 | -79.9 | -169.5 | 167.8 | 0 | 0 | 107.8 | |||||
| 2 | S | 48.7 | Very low | 46.4 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 53.8 | 104.7 | 155.6 | -50.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3 | A | 52 | Low | 45.8 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | 94.3 | 107.2 | 78.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 4 | E | 53.2 | Low | 45.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | 111 | 118.1 | 80 | -159.2 | 162.9 | 148.4 | 0 | 0 | 105.8 | |||||
| 5 | Q | 57.5 | Low | 45 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -165.1 | 131.2 | 81.1 | -85.3 | 176.2 | -20.3 | 0 | 0 | 111.6 | |||||
| 6 | E | 47.6 | Very low | 44.4 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 165.1 | 153.2 | -50.9 | 179.1 | 125.7 | 0 | 0 | 109.1 | ||||
| 7 | K | 49 | Very low | 44 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 67% | 0.665 | 81% | 0.81 | S | S | * | * | 174.3 | 141.4 | 58.9 | -134.8 | -177.2 | -172.2 | 167.4 | 0 | 109.6 | |||||
| 8 | K | 45.1 | Very low | 43.4 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 73% | 0.726 | 81% | 0.814 | S | S | * | * | 53.5 | 141.1 | 128.5 | -78.5 | -174.1 | -171.9 | -172 | 0 | 119.1 | |||||
| 9 | T | 40.7 | Very low | 43.1 | Very low | 100 Ų | 100 | 155 Ų | 155 | 61% | 0.613 | 81% | 0.81 | S | S | * | * | cis | -174.1 | 154.8 | 19.6 | -3.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | Q | 40.7 | Very low | 42.6 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 67.5 | 132 | 138.1 | -75 | 166.4 | 7.5 | 0 | 0 | 122.1 | ||||
| 11 | G | 39.2 | Very low | 42.3 | Very low | 76 Ų | 76 | 155.3 Ų | 155.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 162.2 | 70.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 12 | T | 33.8 | Very low | 41.7 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 127.1 | 171.1 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 13 | T | 38.9 | Very low | 41.1 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -150 | 121.4 | 151.6 | 13.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 14 | K | 39.7 | Very low | 40.3 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -61.8 | 140.2 | 163.8 | -81.4 | 175.3 | 161.1 | -170.8 | 0 | 109.8 | ||||
| 15 | E | 38.8 | Very low | 39.6 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -137.7 | 102.8 | 148.3 | -114.6 | 178.6 | 171 | 0 | 0 | 109.2 | Q17 | E15-Q17 PolarHBondContact O-N 3.11Š| ||
| 16 | E | 35.9 | Very low | 38.9 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 106.9 | 162.6 | -78.7 | 171 | 111.2 | 0 | 0 | 107.8 | K18 | E16-K18 PolarHBondContact O-N 3.17Š| ||
| 17 | Q | 37.6 | Very low | 38.7 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -84.1 | 92.6 | 163.5 | -81.8 | -173.2 | -45.5 | 0 | 0 | 109.6 | E15 | E15-Q17 PolarHBondContact O-N 3.11Š| ||
| 18 | K | 34 | Very low | 38.5 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -77 | 109.7 | 149.9 | -94.1 | 177.5 | 173.5 | 173.8 | 0 | 107.5 | E16 | E16-K18 PolarHBondContact O-N 3.17Š| ||
| 19 | S | 36.5 | Very low | 38.5 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -110.3 | 102.4 | 159 | 58.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | S | 33.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 116.8 | 157.9 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | F | 36 | Very low | 39 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -110.4 | 106.2 | 155.7 | -103.6 | -88.3 | 0 | 0 | 0 | 108.1 | ||||
| 22 | A | 38.2 | Very low | 39.3 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -65.3 | 154.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | S | 36.2 | Very low | 39.9 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -34.9 | 160.8 | 169.7 | 48 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 24 | E | 34.2 | Very low | 40.3 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 107.7 | 135.8 | 159.8 | -58.4 | 175.2 | 136.8 | 0 | 0 | 113.7 | ||||
| 25 | D | 37.4 | Very low | 40.6 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 89.9 | 45.2 | 177.4 | -59.5 | -38.8 | 0 | 0 | 0 | 121 | ||
| 26 | V | 42.9 | Very low | 41.3 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -142.3 | 57.4 | 151.9 | -163.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 27 | A | 43.7 | Very low | 42.4 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -130.8 | 0.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 28 | S | 45.7 | Very low | 43.3 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -118 | 8.2 | -164.6 | 48.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 29 | K | 44.4 | Very low | 44.1 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 88% | 0.878 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -125.1 | 10 | 179.3 | -79.3 | -172.6 | 174.3 | -176.9 | 0 | 116.4 | ||
| 30 | Q | 48.1 | Very low | 44.6 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | trans | -99.2 | 13.1 | -174.6 | -73.5 | -173.6 | -25.3 | 0 | 0 | 115.6 | ||||
| 31 | T | 44.2 | Very low | 44.9 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -95.9 | -9.2 | -166.7 | 32.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 32 | E | 45.9 | Very low | 45.1 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108.6 | -31.1 | -176.9 | -77.1 | -136.8 | 126.4 | 0 | 0 | 116.2 | ||
| 33 | E | 46.7 | Very low | 45.2 | Very low | 164 Ų | 164 | 123 Ų | 123 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -89.5 | -10.2 | -170.5 | -65.1 | -173.2 | 160.1 | 0 | 0 | 114.9 | K35 | E33-K35 PolarHBondContact O-N 3.35Š|
| 34 | A | 45.7 | Very low | 45.2 | Very low | 49 Ų | 49 | 126.7 Ų | 126.7 | 41% | 0.405 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -72.9 | -9.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 35 | K | 45.9 | Very low | 45.6 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 81% | 0.809 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -88.5 | -17.5 | -177.3 | -79.2 | -179.6 | 177.4 | 175 | 0 | 114.9 | E33 | E33-K35 PolarHBondContact O-N 3.35Š|
| 36 | A | 54.5 | Low | 45.4 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -87 | -18.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 37 | V | 58.3 | Low | 45.2 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 43% | 0.43 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -92.8 | -7.7 | -171.6 | -179.1 | 0 | 0 | 0 | 0 | 113.6 | F104 | V37-F104 HydrophobicContact CG1-CE1 4.41Š|
| 38 | F | 57.6 | Low | 44.9 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 26% | 0.263 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -120.6 | 12.6 | -170.1 | -68.9 | -76.3 | 0 | 0 | 0 | 115.9 | ||
| 39 | G | 50.2 | Low | 44.7 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -91 | 101.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 40 | D | 46.2 | Very low | 44.6 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -76.3 | 124.1 | 162.5 | -116 | -40.3 | 0 | 0 | 0 | 108.9 | ||||
| 41 | G | 41.9 | Very low | 44.2 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | -157.1 | 78.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 42 | V | 38.3 | Very low | 44.2 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | -75.5 | 119.7 | 168.2 | 169.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 43 | A | 40.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -139.9 | 106.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | K | 37.6 | Very low | 43.5 | Very low | 173 Ų | 173 | 122 Ų | 122 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -85.2 | 125.6 | 173.9 | -167.4 | -176.7 | -175 | -168 | 0 | 107.9 | E46 | K44-E46 IonicContact NZ-OE1 2.99Š| ||
| 45 | Q | 41 | Very low | 43.5 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | -115.8 | 116.3 | 168.4 | -103.1 | -175.2 | -49 | 0 | 0 | 109.6 | ||||
| 46 | E | 33.9 | Very low | 43.4 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -94.1 | 140 | 164.2 | -75.2 | 176.2 | 171.5 | 0 | 0 | 108.8 | K44 | K44-E46 IonicContact NZ-OE1 2.99Š| ||
| 47 | N | 38.5 | Very low | 42.9 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -129.2 | 126.5 | 169.5 | -116.2 | -5 | 0 | 0 | 0 | 110.1 | ||||
| 48 | K | 37.3 | Very low | 42.4 | Very low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -104.7 | 137.9 | 176.2 | -85.8 | -179.1 | 173.3 | 176.4 | 0 | 110.3 | ||||
| 49 | S | 43.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -173.6 | 136.5 | 155.6 | 55.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 50 | G | 40.4 | Very low | 41.1 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | -172.2 | 151 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 51 | A | 41.6 | Very low | 40.7 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 57.9 | 125 | 116.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 52 | S | 43.4 | Very low | 40.6 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | cis | -170 | 151.3 | 25.5 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 53 | T | 38.4 | Very low | 41 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 16.1 | 144.8 | 141.8 | 60.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 54 | N | 40.3 | Very low | 41.3 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | cis | -175.2 | 170.4 | 29.8 | -149.2 | 30.7 | 0 | 0 | 0 | 110.9 | ||||
| 55 | D | 45.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 66% | 0.658 | 81% | 0.809 | S | S | * | * | trans | 96.4 | 91.5 | 151.6 | -69 | -58.8 | 0 | 0 | 0 | 122.5 | ||||
| 56 | E | 43.1 | Very low | 42.8 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | 35.4 | 112.4 | 127.9 | -62.1 | -170.8 | 146.1 | 0 | 0 | 122.8 | |||||
| 57 | K | 44.6 | Very low | 44.4 | Very low | 217 Ų | 217 | 141.9 Ų | 141.9 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | -168 | 131.1 | 125 | -109.5 | 168.5 | -175.8 | 172.8 | 0 | 113.2 | |||||
| 58 | K | 46.9 | Very low | 45.5 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -84.6 | 177.3 | -176.3 | -159.5 | -176 | -178.8 | -176 | 0 | 111.6 | ||||
| 59 | P | 39 | Very low | 47 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | -116.8 | 152.9 | -55.9 | 31.7 | -16.6 | 0 | 0 | 0 | 112.1 | |||||
| 60 | A | 41.9 | Very low | 48.4 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -155.6 | 121.4 | 159 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 61 | E | 39.1 | Very low | 50.2 | Low | 205 Ų | 205 | 135.2 Ų | 135.2 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | -4.7 | 116.9 | 154.6 | -62.8 | 168.3 | 172 | 0 | 0 | 115.9 | ||||
| 62 | G | 38.5 | Very low | 52 | Low | 54 Ų | 54 | 139.7 Ų | 139.7 | 56% | 0.557 | 79% | 0.789 | S | S | * | * | trans | -148 | 97.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E64 | G62-E64 VanDerWaalsContact C-N 3.3Å; G62-E64 PolarHBondContact O-N 3.31Å | ||
| 63 | D | 48 | Very low | 54.1 | Low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -67.6 | 85.1 | 168.3 | -167.7 | 24.5 | 0 | 0 | 0 | 107.9 | ||||
| 64 | E | 46 | Very low | 56.6 | Low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -100.5 | 24.3 | -167.2 | -74.2 | -169.8 | 174 | 0 | 0 | 114.8 | G62 | G62-E64 VanDerWaalsContact C-N 3.3Å; G62-E64 PolarHBondContact O-N 3.31Å | ||
| 65 | D | 54.5 | Low | 59 | Low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -122.2 | 36.2 | 176 | -144.6 | 12.6 | 0 | 0 | 0 | 112.9 | ||||
| 66 | A | 55.3 | Low | 61.2 | Low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | -91.8 | 94.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 67 | E | 67.1 | Low | 63.5 | Low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -49 | 129.7 | 164.7 | -76.5 | -153.7 | 160.7 | 0 | 0 | 108.6 | A69 | E67-A69 PolarHBondContact O-N 3.1Š| ||
| 68 | P | 62.2 | Low | 65.9 | Low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 113.8 | -179.4 | 23.8 | -32.1 | 0 | 0 | 0 | 108.1 | S70 | P68-S70 PolarHBondContact O-N 3.28Š| ||
| 69 | A | 68.1 | Low | 68.1 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -52.2 | 103.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | E67 | E67-A69 PolarHBondContact O-N 3.1Š| ||
| 70 | S | 72.9 | Confident | 70.5 | Confident | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -62.9 | 125.9 | 178.2 | -72.1 | 0 | 0 | 0 | 0 | 107.2 | P68 E72 | P68-S70 PolarHBondContact O-N 3.28Å; S70-E72 PolarHBondContact O-N 3.31Å | ||
| 71 | P | 77.2 | Confident | 73 | Confident | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -59.8 | 118.6 | -178.6 | 23 | -31.6 | 0 | 0 | 0 | 108.5 | V73 | P71-V73 VanDerWaalsContact C-N 3.3Å; P71-V73 WeakPolarHBondContact O-CG2 3.4Å; P71-V73 PolarHBondContact O-N 3.27Å | ||
| 72 | E | 80 | Confident | 75.5 | Confident | 196 Ų | 196 | 136 Ų | 136 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 87.3 | -178 | -160.3 | 153.9 | -153.9 | 0 | 0 | 108.7 | S70 H74 | S70-E72 PolarHBondContact O-N 3.31Å; E72-H74 PolarHBondContact O-N 3.45Å | ||
| 73 | V | 87.6 | Confident | 78.1 | Confident | 100 Ų | 100 | 138.6 Ų | 138.6 | 61% | 0.606 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 108.4 | -179 | -172.1 | 0 | 0 | 0 | 0 | 109 | P71 F75 | P71-V73 VanDerWaalsContact C-N 3.3Å; P71-V73 WeakPolarHBondContact O-CG2 3.4Å; P71-V73 PolarHBondContact O-N 3.27Å; V73-F75 HydrophobicContact CB-CE2 4.16Å; V73-F75 HydrophobicContact CG1-CD2 4.17Å; V73-F75 HydrophobicContact CG1-CE1 4.44Å; V73-F75 HydrophobicContact CG1-CE2 3.38Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å | ||
| 74 | H | 90.4 | Very high | 80.3 | Confident | 156 Ų | 156 | 136.3 Ų | 136.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -89 | 140.1 | 175.2 | -176 | 73.1 | 0 | 0 | 0 | 111.6 | E72 | E72-H74 PolarHBondContact O-N 3.45Š| ||
| 75 | F | 91.6 | Very high | 82.5 | Confident | 163 Ų | 163 | 136 Ų | 136 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -127.4 | 134.6 | 172.1 | -65.2 | -88.4 | 0 | 0 | 0 | 109.8 | V73 P77 | V73-F75 HydrophobicContact CB-CE2 4.16Å; V73-F75 HydrophobicContact CG1-CD2 4.17Å; V73-F75 HydrophobicContact CG1-CE1 4.44Å; V73-F75 HydrophobicContact CG1-CE2 3.38Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å; F75-P77 WeakPolarHBondContact O-CD 3.48Å | ||
| 76 | E | 90.7 | Very high | 84.2 | Confident | 171 Ų | 171 | 134.4 Ų | 134.4 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -70.4 | 127.6 | 171.9 | -71.1 | -166 | 165.9 | 0 | 0 | 110.5 | I78 | E76-I78 PolarHBondContact O-N 2.91Š| ||
| 77 | P | 92.4 | Very high | 86 | Confident | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 126.6 | 178.1 | -22.6 | 33.2 | 0 | 0 | 0 | 112.1 | F75 V79 | F75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-V79 PolarHBondContact O-N 2.96Å | ||
| 78 | I | 93.5 | Very high | 87.3 | Confident | 173 Ų | 173 | 132.8 Ų | 132.8 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -65.1 | -30.6 | 175.2 | -57.7 | 170.2 | 0 | 0 | 0 | 110.9 | E76 | E76-I78 PolarHBondContact O-N 2.91Š|
| 79 | V | 93.3 | Very high | 88.8 | Confident | 99 Ų | 99 | 133.1 Ų | 133.1 | 60% | 0.6 | 74% | 0.736 | S | S | * | * | trans | -133.2 | 135 | -176 | -176.1 | 0 | 0 | 0 | 0 | 110 | P77 L81 | P77-V79 PolarHBondContact O-N 2.96Å; V79-L81 HydrophobicContact CG1-CD2 3.88Å; V79-L81 HydrophobicContact CG1-CG 4.42Å | ||
| 80 | K | 91 | Very high | 90.1 | Very high | 202 Ų | 202 | 129.5 Ų | 129.5 | 88% | 0.878 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 118.4 | 169 | -65.3 | -179.2 | -178.6 | 178 | 0 | 108.7 | ||
| 81 | L | 92.7 | Very high | 91.2 | Very high | 156 Ų | 156 | 128.6 Ų | 128.6 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 133.1 | 175.6 | -61 | 176.7 | 0 | 0 | 0 | 109.3 | V79 | V79-L81 HydrophobicContact CG1-CD2 3.88Å; V79-L81 HydrophobicContact CG1-CG 4.42Å |
| 82 | S | 92.8 | Very high | 92.1 | Very high | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 152.5 | 166.3 | 51 | 0 | 0 | 0 | 0 | 110 | V84 | S82-V84 PolarHBondContact O-N 3.45Š|
| 83 | A | 92.9 | Very high | 93 | Very high | 107 Ų | 107 | 120 Ų | 120 | 88% | 0.884 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 128.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 84 | V | 93.8 | Very high | 93.5 | Very high | 113 Ų | 113 | 117.9 Ų | 117.9 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | trans | -113.1 | 125.2 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | S82 T86 | S82-V84 PolarHBondContact O-N 3.45Å; V84-T86 PolarHBondContact O-N 3.45Å | ||
| 85 | E | 92.1 | Very high | 93.8 | Very high | 176 Ų | 176 | 114.3 Ų | 114.3 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | trans | -66 | 121.9 | 169.9 | -171.4 | 179.5 | 177.9 | 0 | 0 | 108.7 | ||||
| 86 | T | 91.5 | Very high | 94.1 | Very high | 121 Ų | 121 | 110 Ų | 110 | 74% | 0.742 | 60% | 0.595 | S | S | * | * | trans | -108.5 | 131.8 | -178.4 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | V84 | V84-T86 PolarHBondContact O-N 3.45Š| ||
| 87 | K | 92.6 | Very high | 94.5 | Very high | 151 Ų | 151 | 102.5 Ų | 102.5 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | trans | -97.9 | 143.1 | 172.5 | -64.7 | -174.8 | 178.1 | -176.4 | 0 | 109.6 | N89 | K87-N89 VanDerWaalsContact C-N 3.33Š| ||
| 88 | T | 93.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 103.8 Ų | 103.8 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | trans | -79.5 | -22 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | E90 E91 R137 | T88-E90 PolarHBondContact OG1-N 2.95Å; T88-E91 WeakPolarHBondContact CA-OE1 3.46Å; T88-E91 PolarHBondContact N-OE1 2.9Å; T88-E91 VanDerWaalsContact OG1-CD 3.31Å; T88-E91 PolarHBondContact OG1-OE1 3.01Å; T88-R137 PolarHBondContact O-NH2 2.91Å | ||
| 89 | N | 93.7 | Very high | 95 | Very high | 121 Ų | 121 | 96.7 Ų | 96.7 | 65% | 0.647 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 60 | 34.7 | -168.8 | -56.4 | -50.4 | 0 | 0 | 0 | 112.1 | K87 E91 R133 | K87-N89 VanDerWaalsContact C-N 3.33Å; N89-E91 WeakPolarHBondContact CA-OE2 3.45Å; N89-E91 PolarHBondContact N-OE1 3.34Å; N89-E91 PolarHBondContact N-OE2 3.1Å; N89-R133 PolarHBondContact O-NH2 3.43Å |
| 90 | E | 95.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 97.2 Ų | 97.2 | 11% | 0.112 | 51% | 0.51 | C | S | . | . | trans | -127.8 | 5.1 | 177.5 | -57.3 | 174.6 | -162.2 | 0 | 0 | 110.9 | T88 E92 E93 R122 L124 R137 | T88-E90 PolarHBondContact OG1-N 2.95Å; E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.32Å; E90-E93 PolarHBondContact O-N 3.4Å; E90-R122 VanDerWaalsContact CD-NH2 3.26Å; E90-R122 IonicContact OE1-NH2 2.79Å; E90-R122 PolarHBondContact OE1-NH2 2.79Å; E90-R122 IonicContact OE2-CZ 3.3Å; E90-R122 IonicContact OE2-NH1 3.1Å; E90-R122 PolarHBondContact OE2-NH1 3.12Å; E90-R122 IonicContact OE2-NH2 3.75Å; E90-R122 PolarHBondContact OE2-NH2 2.84Å; E90-L124 HydrophobicContact CB-CD1 4.27Å; E90-L124 HydrophobicContact CG-CD1 3.94Å; E90-R137 IonicContact OE1-CZ 3.61Å; E90-R137 VanDerWaalsContact OE1-CZ 3.25Å; E90-R137 IonicContact OE1-NE 3.07Å; E90-R137 PolarHBondContact OE1-NE 3.01Å; E90-R137 IonicContact OE1-NH2 3.25Å; E90-R137 PolarHBondContact OE1-NH2 3.29Å | ||
| 91 | E | 95.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 87.9 Ų | 87.9 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.6 | -174 | -60.3 | 75.9 | -165.8 | 0 | 0 | 112.5 | T88 N89 E93 K127 | T88-E91 WeakPolarHBondContact CA-OE1 3.46Å; T88-E91 PolarHBondContact N-OE1 2.9Å; T88-E91 VanDerWaalsContact OG1-CD 3.31Å; T88-E91 PolarHBondContact OG1-OE1 3.01Å; N89-E91 WeakPolarHBondContact CA-OE2 3.45Å; N89-E91 PolarHBondContact N-OE1 3.34Å; N89-E91 PolarHBondContact N-OE2 3.1Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 2.71Å; E91-K127 PolarHBondContact O-NZ 3.35Å |
| 92 | E | 96.8 | Very high | 95.9 | Very high | 102 Ų | 102 | 83 Ų | 83 | 48% | 0.477 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 16.6 | 177.5 | -61.4 | -51.5 | 143.1 | 0 | 0 | 113.4 | E90 K127 | E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.32Å; E92-K127 WeakPolarHBondContact O-CB 3.48Å; E92-K127 VanDerWaalsContact O-CG 3.29Å; E92-K127 WeakPolarHBondContact O-CG 3.39Å; E92-K127 PolarHBondContact O-N 3.45Å |
| 93 | E | 98 | Very high | 96.2 | Very high | 26 Ų | 26 | 78.4 Ų | 78.4 | 12% | 0.121 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.4 | -178.5 | -54.7 | -178.9 | 126.1 | 0 | 0 | 112.2 | E90 E91 L124 K125 H126 R133 | E90-E93 PolarHBondContact O-N 3.4Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 2.71Å; E93-L124 HydrophobicContact CB-CB 3.99Å; E93-L124 HydrophobicContact CG-CB 4.45Å; E93-L124 VanDerWaalsContact OE2-CD1 3.24Å; E93-L124 WeakPolarHBondContact OE2-CD1 3.42Å; E93-K125 CarbonylContact C-O 3.58Å; E93-K125 WeakPolarHBondContact CA-O 3.41Å; E93-H126 HydrophobicContact CG-CB 4.45Å; E93-R133 VanDerWaalsContact CD-NE 3.32Å; E93-R133 VanDerWaalsContact CD-NH2 3.3Å; E93-R133 IonicContact OE1-CZ 3.42Å; E93-R133 IonicContact OE1-NE 3.73Å; E93-R133 PolarHBondContact OE1-NE 2.92Å; E93-R133 IonicContact OE1-NH2 2.7Å; E93-R133 PolarHBondContact OE1-NH2 3.47Å; E93-R133 IonicContact OE2-CZ 2.77Å; E93-R133 VanDerWaalsContact OE2-CZ 3.3Å; E93-R133 IonicContact OE2-NE 3.1Å; E93-R133 PolarHBondContact OE2-NE 3.4Å; E93-R133 VanDerWaalsContact OE2-NE 3.1Å; E93-R133 IonicContact OE2-NH2 3.92Å; E93-R133 PolarHBondContact OE2-NH2 3.14Å |
| 94 | T | 97.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.9 | 170.6 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | E96 L124 K125 K127 | T94-E96 PolarHBondContact O-N 3.11Å; T94-E96 PolarHBondContact OG1-OE1 3.13Å; T94-L124 CarbonylContact O-C 3.59Å; T94-L124 WeakPolarHBondContact O-CA 3.31Å; T94-K125 PolarHBondContact N-O 3.12Å; T94-K125 PolarHBondContact O-N 2.7Å; T94-K125 PolarHBondContact OG1-O 2.86Å; T94-K127 HydrophobicContact CG2-CG 4.34Å |
| 95 | V | 98.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 103 | 175 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | K98 R122 L124 | V95-K98 HydrophobicContact CG1-CB 4Å; V95-R122 HydrophobicContact CG1-CG 4.42Å; V95-L124 HydrophobicContact CB-CD2 4.19Å; V95-L124 HydrophobicContact CG1-CD2 4.34Å; V95-L124 HydrophobicContact CG2-CD2 3.67Å |
| 96 | E | 98.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -32 | -178.6 | -66.2 | -61 | 138 | 0 | 0 | 112.4 | T94 L123 K125 Y204 | T94-E96 PolarHBondContact O-N 3.11Å; T94-E96 PolarHBondContact OG1-OE1 3.13Å; E96-L123 PolarHBondContact N-O 3.36Å; E96-K125 HydrophobicContact CG-CB 3.63Å; E96-K125 HydrophobicContact CG-CD 4.31Å; E96-Y204 HydrophobicContact CB-CD2 4.47Å; E96-Y204 HydrophobicContact CB-CE1 4.08Å; E96-Y204 HydrophobicContact CB-CE2 3.66Å; E96-Y204 VanDerWaalsContact CB-CZ 3.44Å; E96-Y204 WeakPolarHBondContact CB-OH 3.46Å; E96-Y204 HydrophobicContact CG-CE1 3.83Å; E96-Y204 HydrophobicContact CG-CE2 4.34Å; E96-Y204 PolarHBondContact OE2-OH 2.73Å |
| 97 | F | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.5 | 177.1 | 176.1 | -89.2 | 0 | 0 | 0 | 109.2 | M99 R122 L123 L196 F197 N200 | F97-M99 HydrophobicContact CD1-CB 4.47Å; F97-M99 HydrophobicContact CE1-CB 3.43Å; F97-M99 VanDerWaalsContact CE1-CB 3.43Å; F97-M99 HydrophobicContact CE2-CB 4.37Å; F97-M99 HydrophobicContact CE2-CE 3.86Å; F97-M99 HydrophobicContact CZ-CB 3.39Å; F97-M99 HydrophobicContact CZ-CE 3.67Å; F97-M99 HydrophobicContact CZ-CG 4.22Å; F97-M99 HydrophobicContact CZ-SD 3.79Å; F97-R122 WeakPolarHBondContact O-CA 2.91Å; F97-L123 HydrophobicContact CB-CB 3.99Å; F97-L123 HydrophobicContact CB-CD1 4Å; F97-L123 HydrophobicContact CB-CG 3.94Å; F97-L123 HydrophobicContact CD1-CG 4.27Å; F97-L123 HydrophobicContact CG-CD1 4.45Å; F97-L123 HydrophobicContact CG-CG 4.45Å; F97-L123 PolarHBondContact O-N 2.85Å; F97-L196 HydrophobicContact CE2-CD2 4.29Å; F97-L196 HydrophobicContact CE2-CG 4.05Å; F97-F197 HydrophobicContact CD1-CD2 4.25Å; F97-F197 HydrophobicContact CE1-CB 4.26Å; F97-F197 AromaticContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CG 4.44Å; F97-F197 HydrophobicContact CZ-CB 3.82Å; F97-F197 HydrophobicContact CZ-CD2 4.07Å; F97-F197 HydrophobicContact CZ-CG 4.47Å; F97-N200 HydrophobicContact CB-CB 4.29Å; F97-N200 HydrophobicContact CD2-CB 3.93Å; F97-N200 HydrophobicContact CG-CB 4.22Å |
| 98 | K | 98.4 | Very high | 97.2 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 123.3 | 175.6 | 178.8 | -178.9 | 178.1 | -176.6 | 0 | 109.6 | V95 D120 A121 R122 | V95-K98 HydrophobicContact CG1-CB 4Å; K98-D120 VanDerWaalsContact CE-CG 3.49Å; K98-D120 WeakPolarHBondContact CE-OD2 3.44Å; K98-D120 HydrophobicContact CG-CB 4.27Å; K98-D120 IonicContact NZ-OD2 3.41Å; K98-D120 PolarHBondContact NZ-OD2 3.45Å; K98-A121 WeakPolarHBondContact CA-O 3.16Å; K98-R122 HydrophobicContact CB-CG 4.2Å; K98-R122 HydrophobicContact CG-CG 4Å |
| 99 | M | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 144.4 | 176.9 | -168.8 | 171.6 | -75 | 0 | 0 | 113 | F97 D120 A121 F188 N193 L196 | F97-M99 HydrophobicContact CD1-CB 4.47Å; F97-M99 HydrophobicContact CE1-CB 3.43Å; F97-M99 VanDerWaalsContact CE1-CB 3.43Å; F97-M99 HydrophobicContact CE2-CB 4.37Å; F97-M99 HydrophobicContact CE2-CE 3.86Å; F97-M99 HydrophobicContact CZ-CB 3.39Å; F97-M99 HydrophobicContact CZ-CE 3.67Å; F97-M99 HydrophobicContact CZ-CG 4.22Å; F97-M99 HydrophobicContact CZ-SD 3.79Å; M99-D120 CarbonylContact O-C 3.59Å; M99-D120 WeakPolarHBondContact O-CA 3.49Å; M99-A121 PolarHBondContact N-O 3.42Å; M99-A121 PolarHBondContact O-N 2.91Å; M99-F188 HydrophobicContact CB-CE1 4.35Å; M99-F188 HydrophobicContact CG-CD1 4.01Å; M99-F188 HydrophobicContact CG-CE1 4.21Å; M99-F188 HydrophobicContact SD-CD1 3.68Å; M99-F188 HydrophobicContact SD-CE1 4Å; M99-N193 HydrophobicContact CE-CB 4.12Å; M99-N193 HydrophobicContact SD-CB 3.4Å; M99-N193 WeakPolarHBondContact SD-CB 3.28Å; M99-L196 HydrophobicContact CE-CB 4.45Å; M99-L196 HydrophobicContact CE-CD2 3.86Å |
| 100 | R | 98.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 42% | 0.415 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.4 | 175.2 | -176.8 | 63.8 | 173.6 | 176.7 | -0.3 | 111.5 | T118 D139 | R100-T118 VanDerWaalsContact NH2-CG2 3.34Å; R100-D139 IonicContact CZ-OD1 2.74Å; R100-D139 IonicContact CZ-OD2 3.35Å; R100-D139 IonicContact NH1-OD1 2.68Å; R100-D139 PolarHBondContact NH1-OD1 3.41Å; R100-D139 IonicContact NH1-OD2 3.96Å; R100-D139 PolarHBondContact NH1-OD2 2.92Å; R100-D139 IonicContact NH2-OD2 3.25Å; R100-D139 PolarHBondContact NH2-OD2 3.2Å |
| 101 | A | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G119 A121 M136 I186 R187 F188 | A101-G119 PolarHBondContact N-O 3.16Å; A101-G119 PolarHBondContact O-N 3.22Å; A101-G119 VanDerWaalsContact O-N 3.08Å; A101-G119 VanDerWaalsContact O-O 3.11Å; A101-A121 HydrophobicContact CB-CB 4.29Å; A101-M136 HydrophobicContact CB-CE 4.18Å; A101-M136 WeakPolarHBondContact O-CE 3.47Å; A101-I186 HydrophobicContact CB-CD1 3.73Å; A101-I186 HydrophobicContact CB-CG1 3.65Å; A101-R187 WeakPolarHBondContact CA-O 3.26Å; A101-F188 HydrophobicContact CB-CD1 3.92Å; A101-F188 HydrophobicContact CB-CE1 3.69Å; A101-F188 HydrophobicContact CB-CZ 4.31Å |
| 102 | K | 98.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.9 | 165.5 | -176.9 | 178.4 | -76.3 | -159.7 | 0 | 109.2 | F104 E115 T118 I186 R187 | K102-F104 HydrophobicContact CB-CE2 4.27Å; K102-F104 HydrophobicContact CD-CE1 4.11Å; K102-F104 HydrophobicContact CD-CE2 3.87Å; K102-F104 HydrophobicContact CD-CZ 3.42Å; K102-F104 VanDerWaalsContact CD-CZ 3.42Å; K102-F104 HydrophobicContact CG-CD2 4.47Å; K102-F104 HydrophobicContact CG-CE2 3.77Å; K102-F104 HydrophobicContact CG-CZ 3.84Å; K102-E115 WeakPolarHBondContact CD-OE1 3.5Å; K102-E115 IonicContact NZ-OE1 2.88Å; K102-E115 PolarHBondContact NZ-OE1 2.89Å; K102-E115 IonicContact NZ-OE2 2.74Å; K102-T118 WeakPolarHBondContact CE-OG1 3.47Å; K102-I186 WeakPolarHBondContact O-CA 3.45Å; K102-R187 PolarHBondContact N-O 2.67Å; K102-R187 PolarHBondContact O-N 2.7Å |
| 103 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.9 | -179.9 | -173.4 | 73.6 | 0 | 0 | 0 | 110.5 | R116 G117 M136 C145 A146 W168 F184 A185 I186 | L103-R116 HydrophobicContact CB-CB 4.5Å; L103-R116 HydrophobicContact CD2-CB 4.24Å; L103-R116 HydrophobicContact CD2-CG 4.15Å; L103-R116 HydrophobicContact CG-CB 4.25Å; L103-R116 WeakPolarHBondContact O-CA 3.4Å; L103-R116 WeakPolarHBondContact O-CB 3.27Å; L103-R116 PolarHBondContact O-N 2.66Å; L103-G117 PolarHBondContact N-O 2.89Å; L103-G117 PolarHBondContact O-N 3.45Å; L103-M136 HydrophobicContact CB-CE 4.11Å; L103-M136 HydrophobicContact CB-SD 3.7Å; L103-M136 HydrophobicContact CD2-SD 4.29Å; L103-M136 HydrophobicContact CG-SD 4.47Å; L103-C145 WeakPolarHBondContact CD2-O 3.29Å; L103-A146 HydrophobicContact CD2-CB 3.72Å; L103-W168 HydrophobicContact CD1-CH2 3.97Å; L103-F184 HydrophobicContact CD1-CB 4.01Å; L103-F184 HydrophobicContact CD1-CD1 4.11Å; L103-F184 HydrophobicContact CD1-CG 4.14Å; L103-F184 HydrophobicContact CD2-CD1 4.24Å; L103-F184 HydrophobicContact CD2-CE1 4.29Å; L103-F184 HydrophobicContact CG-CD1 4.23Å; L103-A185 CarbonylContact C-O 3.49Å; L103-A185 WeakPolarHBondContact CA-O 3.48Å; L103-I186 HydrophobicContact CD1-CB 4.28Å |
| 104 | F | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.4 | 174.9 | -55.2 | -100.4 | 0 | 0 | 0 | 109.7 | V37 K102 W113 K114 E115 F184 A185 R187 | V37-F104 HydrophobicContact CG1-CE1 4.41Å; K102-F104 HydrophobicContact CB-CE2 4.27Å; K102-F104 HydrophobicContact CD-CE1 4.11Å; K102-F104 HydrophobicContact CD-CE2 3.87Å; K102-F104 HydrophobicContact CD-CZ 3.42Å; K102-F104 VanDerWaalsContact CD-CZ 3.42Å; K102-F104 HydrophobicContact CG-CD2 4.47Å; K102-F104 HydrophobicContact CG-CE2 3.77Å; K102-F104 HydrophobicContact CG-CZ 3.84Å; F104-W113 HydrophobicContact CB-CE3 3.86Å; F104-K114 CarbonylContact C-O 3.59Å; F104-K114 VanDerWaalsContact CA-O 3.23Å; F104-K114 WeakPolarHBondContact CA-O 3.4Å; F104-E115 HydrophobicContact CD1-CG 4.06Å; F104-E115 HydrophobicContact CE1-CG 3.78Å; F104-F184 WeakPolarHBondContact O-CA 3.24Å; F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 PolarHBondContact N-O 3.25Å; F104-A185 PolarHBondContact O-N 3.11Å; F104-R187 HydrophobicContact CE2-CB 4.14Å |
| 105 | R | 97.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137 | 171.8 | 171.7 | -167.9 | -88.8 | 158.8 | -16.5 | 108.2 | K114 R116 E182 | R105-K114 PolarHBondContact N-O 3.43Å; R105-K114 PolarHBondContact O-N 3.14Å; R105-R116 HydrophobicContact CB-CB 4.36Å; R105-E182 VanDerWaalsContact CD-OE2 3.24Å; R105-E182 WeakPolarHBondContact CD-OE2 3.3Å; R105-E182 WeakPolarHBondContact CG-OE2 3.41Å; R105-E182 IonicContact CZ-OE1 2.73Å; R105-E182 IonicContact CZ-OE2 2.94Å; R105-E182 IonicContact NE-OE1 2.67Å; R105-E182 PolarHBondContact NE-OE1 2.91Å; R105-E182 IonicContact NE-OE2 3.86Å; R105-E182 PolarHBondContact NE-OE2 2.84Å; R105-E182 IonicContact NH2-OE1 3.52Å; R105-E182 PolarHBondContact NH2-OE1 2.92Å; R105-E182 IonicContact NH2-OE2 2.58Å |
| 106 | F | 97.5 | Very high | 97.4 | Very high | 59 Ų | 59 | 64 Ų | 64 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.3 | 171.6 | -168.5 | -109.1 | 0 | 0 | 0 | 110.5 | K108 W113 T183 | F106-K108 HydrophobicContact CD1-CG 4.12Å; F106-K108 HydrophobicContact CE1-CG 4.41Å; F106-K108 PolarHBondContact O-N 3.43Å; F106-W113 HydrophobicContact CB-CD2 4.38Å; F106-W113 HydrophobicContact CB-CE3 3.9Å; F106-W113 HydrophobicContact CB-CH2 3.9Å; F106-W113 HydrophobicContact CB-CZ2 4.37Å; F106-W113 HydrophobicContact CB-CZ3 3.65Å; F106-W113 AromaticContact CD2-CD2 3.93Å; F106-W113 HydrophobicContact CD2-CD2 3.93Å; F106-W113 AromaticContact CD2-CE2 3.8Å; F106-W113 HydrophobicContact CD2-CE3 4.3Å; F106-W113 HydrophobicContact CD2-CG 4.32Å; F106-W113 HydrophobicContact CD2-CH2 4.47Å; F106-W113 HydrophobicContact CD2-CZ2 4.1Å; F106-T183 HydrophobicContact CB-CG2 4.2Å; F106-T183 PolarHBondContact N-O 2.88Å |
| 107 | D | 96.8 | Very high | 97.4 | Very high | 44 Ų | 44 | 61 Ų | 61 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.3 | 170.4 | -172.3 | -34 | 0 | 0 | 0 | 109.1 | A109 A110 S111 E112 K114 | D107-A109 VanDerWaalsContact C-N 3.32Å; D107-A109 PolarHBondContact O-N 3Å; D107-A109 WeakPolarHBondContact OD1-CB 3.43Å; D107-A109 PolarHBondContact OD1-N 3.15Å; D107-A110 HydrophobicContact CB-CB 4.27Å; D107-A110 PolarHBondContact OD1-N 2.91Å; D107-A110 VanDerWaalsContact OD1-N 3.1Å; D107-S111 VanDerWaalsContact O-CA 3.24Å; D107-S111 WeakPolarHBondContact O-CA 3.32Å; D107-S111 PolarHBondContact O-N 3.43Å; D107-E112 HydrophobicContact CB-CG 4.42Å; D107-E112 PolarHBondContact N-O 2.86Å; D107-E112 PolarHBondContact O-N 3.03Å; D107-K114 HydrophobicContact CB-CD 4.07Å; D107-K114 HydrophobicContact CB-CG 4.39Å; D107-K114 WeakPolarHBondContact OD2-CE 3.41Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 3.35Å |
| 108 | K | 94.8 | Very high | 97.4 | Very high | 147 Ų | 147 | 62.3 Ų | 62.3 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -29.5 | -178.8 | -65.5 | -178.9 | -178.3 | 175.6 | 0 | 113.3 | F106 | F106-K108 HydrophobicContact CD1-CG 4.12Å; F106-K108 HydrophobicContact CE1-CG 4.41Å; F106-K108 PolarHBondContact O-N 3.43Å |
| 109 | A | 96 | Very high | 97.4 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -41.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | D107 | D107-A109 VanDerWaalsContact C-N 3.32Å; D107-A109 PolarHBondContact O-N 3Å; D107-A109 WeakPolarHBondContact OD1-CB 3.43Å; D107-A109 PolarHBondContact OD1-N 3.15Å |
| 110 | A | 96.5 | Very high | 97.4 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D107 E112 | D107-A110 HydrophobicContact CB-CB 4.27Å; D107-A110 PolarHBondContact OD1-N 2.91Å; D107-A110 VanDerWaalsContact OD1-N 3.1Å; A110-E112 HydrophobicContact CB-CG 3.76Å; A110-E112 PolarHBondContact O-N 2.8Å |
| 111 | S | 95.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.6 | -174.9 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | D107 | D107-S111 VanDerWaalsContact O-CA 3.24Å; D107-S111 WeakPolarHBondContact O-CA 3.32Å; D107-S111 PolarHBondContact O-N 3.43Å |
| 112 | E | 96.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 158.9 | -174.9 | 72 | -177.6 | 171.2 | 0 | 0 | 112.6 | D107 A110 K114 | D107-E112 HydrophobicContact CB-CG 4.42Å; D107-E112 PolarHBondContact N-O 2.86Å; D107-E112 PolarHBondContact O-N 3.03Å; A110-E112 HydrophobicContact CB-CG 3.76Å; A110-E112 PolarHBondContact O-N 2.8Å; E112-K114 HydrophobicContact CG-CG 4.22Å; E112-K114 WeakPolarHBondContact OE1-CE 3.5Å; E112-K114 IonicContact OE1-NZ 3.83Å |
| 113 | W | 96.7 | Very high | 97.5 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.4 | 171.6 | -70.9 | 102.9 | 0 | 0 | 0 | 110.6 | F104 F106 V167 T183 A185 | F104-W113 HydrophobicContact CB-CE3 3.86Å; F106-W113 HydrophobicContact CB-CD2 4.38Å; F106-W113 HydrophobicContact CB-CE3 3.9Å; F106-W113 HydrophobicContact CB-CH2 3.9Å; F106-W113 HydrophobicContact CB-CZ2 4.37Å; F106-W113 HydrophobicContact CB-CZ3 3.65Å; F106-W113 AromaticContact CD2-CD2 3.93Å; F106-W113 HydrophobicContact CD2-CD2 3.93Å; F106-W113 AromaticContact CD2-CE2 3.8Å; F106-W113 HydrophobicContact CD2-CE3 4.3Å; F106-W113 HydrophobicContact CD2-CG 4.32Å; F106-W113 HydrophobicContact CD2-CH2 4.47Å; F106-W113 HydrophobicContact CD2-CZ2 4.1Å; W113-V167 HydrophobicContact CH2-CG1 3.85Å; W113-V167 HydrophobicContact CH2-CG2 4.22Å; W113-V167 HydrophobicContact CZ2-CG1 4.22Å; W113-V167 HydrophobicContact CZ2-CG2 4.17Å; W113-T183 HydrophobicContact CH2-CG2 4.03Å; W113-A185 HydrophobicContact CD2-CB 4.4Å; W113-A185 HydrophobicContact CE3-CB 3.91Å; W113-A185 HydrophobicContact CH2-CB 3.69Å; W113-A185 HydrophobicContact CZ2-CB 4.21Å; W113-A185 HydrophobicContact CZ3-CB 3.52Å |
| 114 | K | 97.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 39% | 0.391 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.9 | 173.5 | -67 | -175.9 | 176.7 | 171.5 | 0 | 110.6 | F104 R105 D107 E112 R116 | F104-K114 CarbonylContact C-O 3.59Å; F104-K114 VanDerWaalsContact CA-O 3.23Å; F104-K114 WeakPolarHBondContact CA-O 3.4Å; R105-K114 PolarHBondContact N-O 3.43Å; R105-K114 PolarHBondContact O-N 3.14Å; D107-K114 HydrophobicContact CB-CD 4.07Å; D107-K114 HydrophobicContact CB-CG 4.39Å; D107-K114 WeakPolarHBondContact OD2-CE 3.41Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 3.35Å; E112-K114 HydrophobicContact CG-CG 4.22Å; E112-K114 WeakPolarHBondContact OE1-CE 3.5Å; E112-K114 IonicContact OE1-NZ 3.83Å; K114-R116 PolarHBondContact O-N 2.74Å |
| 115 | E | 97.6 | Very high | 97.5 | Very high | 124 Ų | 124 | 53.6 Ų | 53.6 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 128.9 | 172.2 | -64.7 | -157.2 | 154.3 | 0 | 0 | 110 | K102 F104 | K102-E115 WeakPolarHBondContact CD-OE1 3.5Å; K102-E115 IonicContact NZ-OE1 2.88Å; K102-E115 PolarHBondContact NZ-OE1 2.89Å; K102-E115 IonicContact NZ-OE2 2.74Å; F104-E115 HydrophobicContact CD1-CG 4.06Å; F104-E115 HydrophobicContact CE1-CG 3.78Å |
| 116 | R | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 53 Ų | 53 | 6% | 0.057 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -38.7 | 179.2 | -168.7 | 65.4 | -177.5 | -64.7 | -5.6 | 112.1 | L103 R105 K114 R138 C145 S175 E176 | L103-R116 HydrophobicContact CB-CB 4.5Å; L103-R116 HydrophobicContact CD2-CB 4.24Å; L103-R116 HydrophobicContact CD2-CG 4.15Å; L103-R116 HydrophobicContact CG-CB 4.25Å; L103-R116 WeakPolarHBondContact O-CA 3.4Å; L103-R116 WeakPolarHBondContact O-CB 3.27Å; L103-R116 PolarHBondContact O-N 2.66Å; R105-R116 HydrophobicContact CB-CB 4.36Å; K114-R116 PolarHBondContact O-N 2.74Å; R116-R138 PolarHBondContact O-NE 2.84Å; R116-R138 PolarHBondContact O-NH2 2.78Å; R116-C145 HydrophobicContact CG-CB 4.26Å; R116-S175 PolarHBondContact NH2-OG 2.83Å; R116-E176 IonicContact CZ-OE1 2.7Å; R116-E176 IonicContact NE-OE1 2.67Å; R116-E176 PolarHBondContact NE-OE1 3.25Å; R116-E176 IonicContact NH2-OE1 3.1Å; R116-E176 PolarHBondContact NH2-OE1 3.5Å |
| 117 | G | 98 | Very high | 97.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 154.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L103 | L103-G117 PolarHBondContact N-O 2.89Å; L103-G117 PolarHBondContact O-N 3.45Å |
| 118 | T | 98.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.5 | 168.8 | -54.4 | 0 | 0 | 0 | 0 | 108 | R100 K102 R138 D139 | R100-T118 VanDerWaalsContact NH2-CG2 3.34Å; K102-T118 WeakPolarHBondContact CE-OG1 3.47Å; T118-R138 WeakPolarHBondContact O-CA 3.45Å; T118-D139 PolarHBondContact O-N 3.12Å |
| 119 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -174.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A101 R137 | A101-G119 PolarHBondContact N-O 3.16Å; A101-G119 PolarHBondContact O-N 3.22Å; A101-G119 VanDerWaalsContact O-N 3.08Å; A101-G119 VanDerWaalsContact O-O 3.11Å; G119-R137 VanDerWaalsContact CA-O 3.28Å; G119-R137 WeakPolarHBondContact CA-O 3.07Å |
| 120 | D | 98.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.9 | 169.9 | -67.8 | -22.8 | 0 | 0 | 0 | 109.7 | K98 M99 | K98-D120 VanDerWaalsContact CE-CG 3.49Å; K98-D120 WeakPolarHBondContact CE-OD2 3.44Å; K98-D120 HydrophobicContact CG-CB 4.27Å; K98-D120 IonicContact NZ-OD2 3.41Å; K98-D120 PolarHBondContact NZ-OD2 3.45Å; M99-D120 CarbonylContact O-C 3.59Å; M99-D120 WeakPolarHBondContact O-CA 3.49Å |
| 121 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K98 M99 A101 M136 I186 | K98-A121 WeakPolarHBondContact CA-O 3.16Å; M99-A121 PolarHBondContact N-O 3.42Å; M99-A121 PolarHBondContact O-N 2.91Å; A101-A121 HydrophobicContact CB-CB 4.29Å; A121-M136 HydrophobicContact CB-CG 4.38Å; A121-M136 HydrophobicContact CB-SD 4.24Å; A121-I186 HydrophobicContact CB-CD1 3.87Å |
| 122 | R | 98.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.2 | -177.7 | -65.1 | 177.1 | -66 | 153.6 | 8.1 | 110.9 | E90 V95 F97 K98 L124 L134 V135 | E90-R122 VanDerWaalsContact CD-NH2 3.26Å; E90-R122 IonicContact OE1-NH2 2.79Å; E90-R122 PolarHBondContact OE1-NH2 2.79Å; E90-R122 IonicContact OE2-CZ 3.3Å; E90-R122 IonicContact OE2-NH1 3.1Å; E90-R122 PolarHBondContact OE2-NH1 3.12Å; E90-R122 IonicContact OE2-NH2 3.75Å; E90-R122 PolarHBondContact OE2-NH2 2.84Å; V95-R122 HydrophobicContact CG1-CG 4.42Å; F97-R122 WeakPolarHBondContact O-CA 2.91Å; K98-R122 HydrophobicContact CB-CG 4.2Å; K98-R122 HydrophobicContact CG-CG 4Å; R122-L124 HydrophobicContact CB-CD2 3.89Å; R122-L124 HydrophobicContact CB-CG 4.28Å; R122-L134 WeakPolarHBondContact O-CA 3.45Å; R122-V135 PolarHBondContact N-O 3.49Å; R122-V135 PolarHBondContact O-N 2.86Å |
| 123 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.4 | 165 | -56.2 | -176.2 | 0 | 0 | 0 | 107.5 | E96 F97 T132 R133 L134 L150 N200 Y204 | E96-L123 PolarHBondContact N-O 3.36Å; F97-L123 HydrophobicContact CB-CB 3.99Å; F97-L123 HydrophobicContact CB-CD1 4Å; F97-L123 HydrophobicContact CB-CG 3.94Å; F97-L123 HydrophobicContact CD1-CG 4.27Å; F97-L123 HydrophobicContact CG-CD1 4.45Å; F97-L123 HydrophobicContact CG-CG 4.45Å; F97-L123 PolarHBondContact O-N 2.85Å; L123-T132 HydrophobicContact CB-CG2 3.97Å; L123-R133 WeakPolarHBondContact CA-O 3.29Å; L123-L134 HydrophobicContact CD2-CB 4.04Å; L123-L134 HydrophobicContact CD2-CD1 4.18Å; L123-L134 HydrophobicContact CD2-CG 4.18Å; L123-L150 HydrophobicContact CD1-CD1 4.36Å; L123-L150 HydrophobicContact CD2-CD1 4.1Å; L123-L150 HydrophobicContact CD2-CD2 4.32Å; L123-N200 HydrophobicContact CD1-CB 3.94Å; L123-Y204 HydrophobicContact CD1-CD2 3.78Å; L123-Y204 HydrophobicContact CD1-CE2 4.46Å |
| 124 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.9 | -175.1 | -56.9 | -174.5 | 0 | 0 | 0 | 109.1 | E90 E93 T94 V95 R122 T132 R133 V135 | E90-L124 HydrophobicContact CB-CD1 4.27Å; E90-L124 HydrophobicContact CG-CD1 3.94Å; E93-L124 HydrophobicContact CB-CB 3.99Å; E93-L124 HydrophobicContact CG-CB 4.45Å; E93-L124 VanDerWaalsContact OE2-CD1 3.24Å; E93-L124 WeakPolarHBondContact OE2-CD1 3.42Å; T94-L124 CarbonylContact O-C 3.59Å; T94-L124 WeakPolarHBondContact O-CA 3.31Å; V95-L124 HydrophobicContact CB-CD2 4.19Å; V95-L124 HydrophobicContact CG1-CD2 4.34Å; V95-L124 HydrophobicContact CG2-CD2 3.67Å; R122-L124 HydrophobicContact CB-CD2 3.89Å; R122-L124 HydrophobicContact CB-CG 4.28Å; L124-T132 CarbonylContact O-C 3.5Å; L124-T132 VanDerWaalsContact O-CA 3.22Å; L124-T132 WeakPolarHBondContact O-CA 3.22Å; L124-R133 HydrophobicContact CB-CG 4.23Å; L124-R133 PolarHBondContact N-O 3.25Å; L124-R133 PolarHBondContact O-N 2.82Å; L124-V135 HydrophobicContact CD1-CB 3.89Å; L124-V135 HydrophobicContact CD1-CG2 3.76Å; L124-V135 HydrophobicContact CG-CB 4.43Å; L124-V135 HydrophobicContact CG-CG2 4.41Å |
| 125 | K | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.3 | 179.7 | -177.8 | 171.6 | -177.6 | 169.3 | 0 | 110.4 | E93 T94 E96 K127 G130 Y204 E207 | E93-K125 CarbonylContact C-O 3.58Å; E93-K125 WeakPolarHBondContact CA-O 3.41Å; T94-K125 PolarHBondContact N-O 3.12Å; T94-K125 PolarHBondContact O-N 2.7Å; T94-K125 PolarHBondContact OG1-O 2.86Å; E96-K125 HydrophobicContact CG-CB 3.63Å; E96-K125 HydrophobicContact CG-CD 4.31Å; K125-K127 PolarHBondContact O-N 3.1Å; K125-G130 WeakPolarHBondContact CE-O 3.41Å; K125-Y204 HydrophobicContact CD-CE1 4.46Å; K125-E207 IonicContact NZ-OE2 3.48Å; K125-E207 PolarHBondContact NZ-OE2 2.78Å |
| 126 | H | 98.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 22% | 0.222 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.4 | 179.4 | -169.2 | -71.8 | 0 | 0 | 0 | 111.2 | E93 E128 T129 G130 K131 | E93-H126 HydrophobicContact CG-CB 4.45Å; H126-E128 IonicContact CE1-OE2 2.71Å; H126-E128 PolarHBondContact ND1-N 3.13Å; H126-E128 VanDerWaalsContact ND1-N 3.12Å; H126-E128 PolarHBondContact O-N 2.81Å; H126-T129 WeakPolarHBondContact CB-OG1 3.48Å; H126-T129 PolarHBondContact ND1-N 3.2Å; H126-T129 VanDerWaalsContact ND1-N 3.2Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.21Å; H126-G130 PolarHBondContact O-N 2.9Å; H126-K131 PolarHBondContact N-O 2.8Å |
| 127 | K | 97.4 | Very high | 98 | Very high | 118 Ų | 118 | 37.9 Ų | 37.9 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -43.8 | -174.6 | -69.3 | 167.9 | -174.9 | 166.4 | 0 | 112.8 | E91 E92 T94 K125 | E91-K127 PolarHBondContact O-NZ 3.35Å; E92-K127 WeakPolarHBondContact O-CB 3.48Å; E92-K127 VanDerWaalsContact O-CG 3.29Å; E92-K127 WeakPolarHBondContact O-CG 3.39Å; E92-K127 PolarHBondContact O-N 3.45Å; T94-K127 HydrophobicContact CG2-CG 4.34Å; K125-K127 PolarHBondContact O-N 3.1Å |
| 128 | E | 96.1 | Very high | 98 | Very high | 164 Ų | 164 | 40.1 Ų | 40.1 | 77% | 0.766 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -52.2 | -178.9 | -53.1 | -176.3 | 154.2 | 0 | 0 | 113.7 | H126 | H126-E128 IonicContact CE1-OE2 2.71Å; H126-E128 PolarHBondContact ND1-N 3.13Å; H126-E128 VanDerWaalsContact ND1-N 3.12Å; H126-E128 PolarHBondContact O-N 2.81Å |
| 129 | T | 95.5 | Very high | 97.9 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17 | -174.5 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | H126 K131 | H126-T129 WeakPolarHBondContact CB-OG1 3.48Å; H126-T129 PolarHBondContact ND1-N 3.2Å; H126-T129 VanDerWaalsContact ND1-N 3.2Å; T129-K131 PolarHBondContact O-N 3.49Å; T129-K131 VanDerWaalsContact O-N 3.13Å; T129-K131 PolarHBondContact OG1-N 3.05Å |
| 130 | G | 96.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 51 Ų | 51 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | 68.6 | -0.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K125 H126 I211 | K125-G130 WeakPolarHBondContact CE-O 3.41Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.21Å; H126-G130 PolarHBondContact O-N 2.9Å; G130-I211 VanDerWaalsContact O-CD1 3.29Å; G130-I211 WeakPolarHBondContact O-CD1 3.43Å | ||
| 131 | K | 97.4 | Very high | 97.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | trans | -72.8 | 138.2 | -178.4 | -65.8 | -179.4 | -179.7 | -179.7 | 0 | 110.6 | H126 T129 L149 N208 I211 | H126-K131 PolarHBondContact N-O 2.8Å; T129-K131 PolarHBondContact O-N 3.49Å; T129-K131 VanDerWaalsContact O-N 3.13Å; T129-K131 PolarHBondContact OG1-N 3.05Å; K131-L149 HydrophobicContact CB-CD2 4.2Å; K131-N208 WeakPolarHBondContact CA-OD1 3.43Å; K131-I211 HydrophobicContact CG-CG2 4.18Å | ||
| 132 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.6 | 178.3 | -52 | 0 | 0 | 0 | 0 | 111.3 | L123 L124 L150 Y204 N208 | L123-T132 HydrophobicContact CB-CG2 3.97Å; L124-T132 CarbonylContact O-C 3.5Å; L124-T132 VanDerWaalsContact O-CA 3.22Å; L124-T132 WeakPolarHBondContact O-CA 3.22Å; T132-L150 HydrophobicContact CG2-CD1 4.03Å; T132-L150 PolarHBondContact O-N 2.88Å; T132-L150 VanDerWaalsContact O-N 3.1Å; T132-Y204 HydrophobicContact CG2-CD1 4.34Å; T132-Y204 HydrophobicContact CG2-CG 3.97Å; T132-N208 PolarHBondContact N-ND2 2.71Å; T132-N208 PolarHBondContact N-OD1 3.32Å; T132-N208 PolarHBondContact O-ND2 3.3Å |
| 133 | R | 98.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.1 | 172.5 | 60.9 | 172.2 | 179.4 | 179.2 | -0.8 | 111.7 | N89 E93 L123 L124 V135 H148 L149 | N89-R133 PolarHBondContact O-NH2 3.43Å; E93-R133 VanDerWaalsContact CD-NE 3.32Å; E93-R133 VanDerWaalsContact CD-NH2 3.3Å; E93-R133 IonicContact OE1-CZ 3.42Å; E93-R133 IonicContact OE1-NE 3.73Å; E93-R133 PolarHBondContact OE1-NE 2.92Å; E93-R133 IonicContact OE1-NH2 2.7Å; E93-R133 PolarHBondContact OE1-NH2 3.47Å; E93-R133 IonicContact OE2-CZ 2.77Å; E93-R133 VanDerWaalsContact OE2-CZ 3.3Å; E93-R133 IonicContact OE2-NE 3.1Å; E93-R133 PolarHBondContact OE2-NE 3.4Å; E93-R133 VanDerWaalsContact OE2-NE 3.1Å; E93-R133 IonicContact OE2-NH2 3.92Å; E93-R133 PolarHBondContact OE2-NH2 3.14Å; L123-R133 WeakPolarHBondContact CA-O 3.29Å; L124-R133 HydrophobicContact CB-CG 4.23Å; L124-R133 PolarHBondContact N-O 3.25Å; L124-R133 PolarHBondContact O-N 2.82Å; R133-V135 HydrophobicContact CG-CG2 4.02Å; R133-H148 CarbonylContact C-O 3.51Å; R133-H148 WeakPolarHBondContact CA-O 3.46Å; R133-H148 VanDerWaalsContact CB-O 3.3Å; R133-H148 WeakPolarHBondContact CB-O 3.43Å; R133-L149 HydrophobicContact CB-CD2 4.15Å |
| 134 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.7 | 168.1 | -173.8 | 150.8 | 0 | 0 | 0 | 108.8 | R122 L123 M136 A146 N147 H148 L150 W168 F197 F201 | R122-L134 WeakPolarHBondContact O-CA 3.45Å; L123-L134 HydrophobicContact CD2-CB 4.04Å; L123-L134 HydrophobicContact CD2-CD1 4.18Å; L123-L134 HydrophobicContact CD2-CG 4.18Å; L134-M136 HydrophobicContact CD2-CB 4.46Å; L134-A146 HydrophobicContact CD2-CB 3.55Å; L134-N147 VanDerWaalsContact O-CA 3.29Å; L134-N147 WeakPolarHBondContact O-CA 3.39Å; L134-H148 PolarHBondContact N-O 2.74Å; L134-H148 PolarHBondContact O-N 3.47Å; L134-L150 HydrophobicContact CB-CD2 4.02Å; L134-W168 HydrophobicContact CD1-CZ2 4.23Å; L134-F197 HydrophobicContact CD1-CE2 3.99Å; L134-F197 HydrophobicContact CD1-CZ 3.81Å; L134-F201 HydrophobicContact CD1-CD2 4.49Å; L134-F201 HydrophobicContact CD1-CE2 4.29Å |
| 135 | V | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.1 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | R122 L124 R133 A146 | R122-V135 PolarHBondContact N-O 3.49Å; R122-V135 PolarHBondContact O-N 2.86Å; L124-V135 HydrophobicContact CD1-CB 3.89Å; L124-V135 HydrophobicContact CD1-CG2 3.76Å; L124-V135 HydrophobicContact CG-CB 4.43Å; L124-V135 HydrophobicContact CG-CG2 4.41Å; R133-V135 HydrophobicContact CG-CG2 4.02Å; V135-A146 WeakPolarHBondContact CA-O 3.15Å |
| 136 | M | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.2 | 175.1 | -169.1 | 178.1 | 173.7 | 0 | 0 | 110.2 | A101 L103 A121 L134 C145 A146 | A101-M136 HydrophobicContact CB-CE 4.18Å; A101-M136 WeakPolarHBondContact O-CE 3.47Å; L103-M136 HydrophobicContact CB-CE 4.11Å; L103-M136 HydrophobicContact CB-SD 3.7Å; L103-M136 HydrophobicContact CD2-SD 4.29Å; L103-M136 HydrophobicContact CG-SD 4.47Å; A121-M136 HydrophobicContact CB-CG 4.38Å; A121-M136 HydrophobicContact CB-SD 4.24Å; L134-M136 HydrophobicContact CD2-CB 4.46Å; M136-C145 PolarHBondContact O-N 2.86Å; M136-C145 PolarHBondContact O-SG 2.86Å; M136-A146 HydrophobicContact CB-CB 4.17Å; M136-A146 PolarHBondContact N-O 3.27Å; M136-A146 PolarHBondContact O-N 3.49Å |
| 137 | R | 98.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.5 | 179.3 | -67.6 | 177.3 | 179.9 | -87.6 | 2.1 | 110.1 | T88 E90 G119 L142 K143 V144 | T88-R137 PolarHBondContact O-NH2 2.91Å; E90-R137 IonicContact OE1-CZ 3.61Å; E90-R137 VanDerWaalsContact OE1-CZ 3.25Å; E90-R137 IonicContact OE1-NE 3.07Å; E90-R137 PolarHBondContact OE1-NE 3.01Å; E90-R137 IonicContact OE1-NH2 3.25Å; E90-R137 PolarHBondContact OE1-NH2 3.29Å; G119-R137 VanDerWaalsContact CA-O 3.28Å; G119-R137 WeakPolarHBondContact CA-O 3.07Å; R137-L142 PolarHBondContact NH1-O 2.9Å; R137-L142 VanDerWaalsContact NH1-O 3.14Å; R137-K143 WeakPolarHBondContact CA-O 3.4Å; R137-V144 HydrophobicContact CG-CG2 4.29Å |
| 138 | R | 98.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 142.9 | 176.5 | -63 | -178.9 | -173 | 89.7 | -5.2 | 110.6 | R116 T118 T141 L142 K143 V144 C145 | R116-R138 PolarHBondContact O-NE 2.84Å; R116-R138 PolarHBondContact O-NH2 2.78Å; T118-R138 WeakPolarHBondContact O-CA 3.45Å; R138-T141 WeakPolarHBondContact CB-OG1 3.22Å; R138-L142 VanDerWaalsContact O-CA 3.3Å; R138-L142 WeakPolarHBondContact O-CA 3.34Å; R138-L142 PolarHBondContact O-N 3.41Å; R138-K143 PolarHBondContact N-O 2.91Å; R138-V144 PolarHBondContact NH1-O 3.38Å; R138-C145 HydrophobicContact CG-CB 4.01Å |
| 139 | D | 97.3 | Very high | 97.5 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 151.6 | 171.2 | -66.7 | -18.2 | 0 | 0 | 0 | 112.5 | R100 T118 T141 | R100-D139 IonicContact CZ-OD1 2.74Å; R100-D139 IonicContact CZ-OD2 3.35Å; R100-D139 IonicContact NH1-OD1 2.68Å; R100-D139 PolarHBondContact NH1-OD1 3.41Å; R100-D139 IonicContact NH1-OD2 3.96Å; R100-D139 PolarHBondContact NH1-OD2 2.92Å; R100-D139 IonicContact NH2-OD2 3.25Å; R100-D139 PolarHBondContact NH2-OD2 3.2Å; T118-D139 PolarHBondContact O-N 3.12Å; D139-T141 PolarHBondContact O-N 3.34Å |
| 140 | K | 95.8 | Very high | 97.6 | Very high | 203 Ų | 203 | 47.9 Ų | 47.9 | 88% | 0.883 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -48.4 | 176.4 | -50.9 | -60 | -176.9 | 176.7 | 0 | 114.2 | ||
| 141 | T | 96 | Very high | 97.6 | Very high | 84 Ų | 84 | 49.8 Ų | 49.8 | 52% | 0.515 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -21.1 | 179.9 | 65 | 0 | 0 | 0 | 0 | 113.6 | R138 D139 K143 | R138-T141 WeakPolarHBondContact CB-OG1 3.22Å; D139-T141 PolarHBondContact O-N 3.34Å; T141-K143 PolarHBondContact O-N 2.87Å |
| 142 | L | 95.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 62% | 0.618 | 24% | 0.24 | S | C | * | . | trans | 56.9 | 9.9 | -178.7 | -54.2 | 177.8 | 0 | 0 | 0 | 115 | R137 R138 | R137-L142 PolarHBondContact NH1-O 2.9Å; R137-L142 VanDerWaalsContact NH1-O 3.14Å; R138-L142 VanDerWaalsContact O-CA 3.3Å; R138-L142 WeakPolarHBondContact O-CA 3.34Å; R138-L142 PolarHBondContact O-N 3.41Å | ||
| 143 | K | 97.3 | Very high | 97.3 | Very high | 140 Ų | 140 | 55.6 Ų | 55.6 | 61% | 0.609 | 27% | 0.269 | S | S | * | . | trans | -65 | 133.9 | 176 | -71.5 | -174.8 | 176.6 | -174.6 | 0 | 110 | R137 R138 T141 | R137-K143 WeakPolarHBondContact CA-O 3.4Å; R138-K143 PolarHBondContact N-O 2.91Å; T141-K143 PolarHBondContact O-N 2.87Å | ||
| 144 | V | 97.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 137.5 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | R137 R138 A146 N147 | R137-V144 HydrophobicContact CG-CG2 4.29Å; R138-V144 PolarHBondContact NH1-O 3.38Å; V144-A146 WeakPolarHBondContact CG1-O 3.48Å; V144-N147 HydrophobicContact CG1-CB 3.76Å |
| 145 | C | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -13.2 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | L103 R116 M136 R138 | L103-C145 WeakPolarHBondContact CD2-O 3.29Å; R116-C145 HydrophobicContact CG-CB 4.26Å; M136-C145 PolarHBondContact O-N 2.86Å; M136-C145 PolarHBondContact O-SG 2.86Å; R138-C145 HydrophobicContact CG-CB 4.01Å |
| 146 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L103 L134 V135 M136 V144 D173 | L103-A146 HydrophobicContact CD2-CB 3.72Å; L134-A146 HydrophobicContact CD2-CB 3.55Å; V135-A146 WeakPolarHBondContact CA-O 3.15Å; M136-A146 HydrophobicContact CB-CB 4.17Å; M136-A146 PolarHBondContact N-O 3.27Å; M136-A146 PolarHBondContact O-N 3.49Å; V144-A146 WeakPolarHBondContact CG1-O 3.48Å; A146-D173 WeakPolarHBondContact CA-OD1 3.49Å |
| 147 | N | 98.4 | Very high | 97 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 98.7 | 173.6 | -176.8 | 5.6 | 0 | 0 | 0 | 108.6 | L134 V144 D173 V174 | L134-N147 VanDerWaalsContact O-CA 3.29Å; L134-N147 WeakPolarHBondContact O-CA 3.39Å; V144-N147 HydrophobicContact CG1-CB 3.76Å; N147-D173 PolarHBondContact N-OD1 3.41Å; N147-V174 HydrophobicContact CB-CG2 4Å; N147-V174 VanDerWaalsContact O-CG2 3.29Å; N147-V174 WeakPolarHBondContact O-CG2 3.11Å; N147-V174 PolarHBondContact O-N 3.25Å |
| 148 | H | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.7 | 178.6 | 64.2 | 81.7 | 0 | 0 | 0 | 111.2 | R133 L134 W168 V170 D173 | R133-H148 CarbonylContact C-O 3.51Å; R133-H148 WeakPolarHBondContact CA-O 3.46Å; R133-H148 VanDerWaalsContact CB-O 3.3Å; R133-H148 WeakPolarHBondContact CB-O 3.43Å; L134-H148 PolarHBondContact N-O 2.74Å; L134-H148 PolarHBondContact O-N 3.47Å; H148-W168 AromaticContact CE1-NE1 3.5Å; H148-W168 PolarHBondContact CE1-NE1 2.86Å; H148-W168 AromaticContact NE2-CE2 3.98Å; H148-W168 AromaticContact NE2-CZ2 3.86Å; H148-W168 AromaticContact NE2-NE1 3.45Å; H148-W168 PolarHBondContact NE2-NE1 3.22Å; H148-V170 HydrophobicContact CB-CG1 3.62Å; H148-D173 HydrophobicContact CB-CB 4.44Å; H148-D173 IonicContact CD2-OD1 2.64Å |
| 149 | L | 97.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 149.8 | 171.7 | -73.1 | 166.7 | 0 | 0 | 0 | 110.6 | K131 R133 M151 M154 | K131-L149 HydrophobicContact CB-CD2 4.2Å; R133-L149 HydrophobicContact CB-CD2 4.15Å; L149-M151 HydrophobicContact CB-CG 4.43Å; L149-M151 HydrophobicContact CB-SD 4.18Å; L149-M151 PolarHBondContact O-N 3.5Å; L149-M154 WeakPolarHBondContact O-CE 3.27Å |
| 150 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -78.8 | 102 | 168.3 | -57.4 | -171.5 | 0 | 0 | 0 | 108.7 | L123 T132 L134 F201 Q205 N208 | L123-L150 HydrophobicContact CD1-CD1 4.36Å; L123-L150 HydrophobicContact CD2-CD1 4.1Å; L123-L150 HydrophobicContact CD2-CD2 4.32Å; T132-L150 HydrophobicContact CG2-CD1 4.03Å; T132-L150 PolarHBondContact O-N 2.88Å; T132-L150 VanDerWaalsContact O-N 3.1Å; L134-L150 HydrophobicContact CB-CD2 4.02Å; L150-F201 HydrophobicContact CD2-CD2 3.83Å; L150-F201 HydrophobicContact CD2-CE1 4.44Å; L150-F201 HydrophobicContact CD2-CE2 3.42Å; L150-F201 VanDerWaalsContact CD2-CE2 3.42Å; L150-F201 HydrophobicContact CD2-CZ 3.76Å; L150-Q205 HydrophobicContact CB-CB 4.49Å; L150-N208 WeakPolarHBondContact O-CB 3.47Å; L150-N208 PolarHBondContact O-ND2 3.45Å | ||
| 151 | M | 96.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 60 Ų | 60 | 27% | 0.271 | 34% | 0.338 | S | S | . | . | trans | -93.3 | 144.3 | -175.9 | -64.7 | -66.2 | -66.4 | 0 | 0 | 111.7 | L149 E153 M154 Q205 L212 | L149-M151 HydrophobicContact CB-CG 4.43Å; L149-M151 HydrophobicContact CB-SD 4.18Å; L149-M151 PolarHBondContact O-N 3.5Å; M151-E153 VanDerWaalsContact CB-CD 3.41Å; M151-E153 HydrophobicContact CB-CG 4.37Å; M151-E153 WeakPolarHBondContact CB-OE1 3.22Å; M151-E153 WeakPolarHBondContact CB-OE2 3.36Å; M151-E153 WeakPolarHBondContact CE-OE1 3.21Å; M151-E153 PolarHBondContact O-N 2.85Å; M151-E153 VanDerWaalsContact O-N 3.13Å; M151-M154 HydrophobicContact CB-CE 3.88Å; M151-M154 HydrophobicContact CB-CG 4.12Å; M151-M154 HydrophobicContact CB-SD 4.28Å; M151-M154 HydrophobicContact CG-CE 3.91Å; M151-M154 PolarHBondContact N-SD 2.88Å; M151-M154 WeakPolarHBondContact O-CB 3.47Å; M151-M154 WeakPolarHBondContact O-CG 3.23Å; M151-M154 PolarHBondContact O-N 3Å; M151-Q205 WeakPolarHBondContact O-CG 3.24Å; M151-Q205 PolarHBondContact O-NE2 2.91Å; M151-Q205 VanDerWaalsContact O-NE2 3.11Å; M151-L212 HydrophobicContact CE-CD1 4.28Å; M151-L212 HydrophobicContact SD-CD1 4.19Å | ||
| 152 | P | 95 | Very high | 95.7 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.1 | -176 | -25.5 | 36.2 | 0 | 0 | 0 | 114.9 | M154 Q205 A209 L212 | P152-M154 VanDerWaalsContact C-N 3.35Å; P152-Q205 VanDerWaalsContact C-NE2 3.29Å; P152-Q205 PolarHBondContact O-NE2 3.14Å; P152-A209 HydrophobicContact CB-CB 3.87Å; P152-A209 HydrophobicContact CG-CB 3.56Å; P152-L212 HydrophobicContact CG-CD1 3.93Å |
| 153 | E | 94.3 | Very high | 95.6 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.4 | 178.8 | 65 | -85.3 | -166.9 | 0 | 0 | 114.4 | M151 | M151-E153 VanDerWaalsContact CB-CD 3.41Å; M151-E153 HydrophobicContact CB-CG 4.37Å; M151-E153 WeakPolarHBondContact CB-OE1 3.22Å; M151-E153 WeakPolarHBondContact CB-OE2 3.36Å; M151-E153 WeakPolarHBondContact CE-OE1 3.21Å; M151-E153 PolarHBondContact O-N 2.85Å; M151-E153 VanDerWaalsContact O-N 3.13Å |
| 154 | M | 96.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | trans | -67.6 | 142.2 | 178.7 | -65.5 | 180 | 177.7 | 0 | 0 | 110.6 | L149 M151 P152 V170 F201 Q205 | L149-M154 WeakPolarHBondContact O-CE 3.27Å; M151-M154 HydrophobicContact CB-CE 3.88Å; M151-M154 HydrophobicContact CB-CG 4.12Å; M151-M154 HydrophobicContact CB-SD 4.28Å; M151-M154 HydrophobicContact CG-CE 3.91Å; M151-M154 PolarHBondContact N-SD 2.88Å; M151-M154 WeakPolarHBondContact O-CB 3.47Å; M151-M154 WeakPolarHBondContact O-CG 3.23Å; M151-M154 PolarHBondContact O-N 3Å; P152-M154 VanDerWaalsContact C-N 3.35Å; M154-V170 HydrophobicContact CE-CB 4.26Å; M154-V170 HydrophobicContact CE-CG1 3.91Å; M154-V170 HydrophobicContact CE-CG2 4.01Å; M154-F201 HydrophobicContact CB-CE1 4.19Å; M154-F201 HydrophobicContact CB-CZ 4.25Å; M154-F201 HydrophobicContact SD-CZ 4.03Å; M154-Q205 PolarHBondContact O-NE2 2.98Å | ||
| 155 | K | 96.4 | Very high | 95.6 | Very high | 152 Ų | 152 | 52.3 Ų | 52.3 | 66% | 0.661 | 30% | 0.296 | S | S | * | . | trans | -134.9 | 118.4 | 176.4 | -173.4 | 177.5 | -179.6 | 179.8 | 0 | 110.2 | T157 W168 | K155-T157 HydrophobicContact CD-CG2 4.4Å; K155-T157 HydrophobicContact CG-CG2 4.23Å; K155-T157 PolarHBondContact O-N 2.82Å; K155-W168 WeakPolarHBondContact O-CB 3.3Å | ||
| 156 | L | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -72.8 | 117.4 | 170.5 | -64.5 | -177.9 | 0 | 0 | 0 | 109.1 | W166 W168 F197 K198 F201 | L156-W166 HydrophobicContact CB-CB 4.26Å; L156-W166 HydrophobicContact CB-CD2 4.38Å; L156-W166 HydrophobicContact CB-CE3 4.27Å; L156-W166 HydrophobicContact CB-CG 4.37Å; L156-W166 HydrophobicContact CD1-CG 4.44Å; L156-W166 HydrophobicContact CD2-CB 4.02Å; L156-W168 HydrophobicContact CD2-CB 4.03Å; L156-W168 HydrophobicContact CD2-CD2 3.86Å; L156-W168 HydrophobicContact CD2-CE3 3.64Å; L156-W168 HydrophobicContact CD2-CG 4.05Å; L156-W168 HydrophobicContact CD2-CZ3 4.44Å; L156-F197 HydrophobicContact CD1-CD1 4.27Å; L156-F197 HydrophobicContact CD1-CE1 4.01Å; L156-F197 HydrophobicContact CD2-CE1 4.29Å; L156-K198 HydrophobicContact CD1-CB 3.98Å; L156-K198 HydrophobicContact CD1-CG 3.94Å; L156-F201 HydrophobicContact CD1-CB 3.78Å; L156-F201 HydrophobicContact CD1-CD1 3.82Å; L156-F201 HydrophobicContact CD1-CD2 4.28Å; L156-F201 HydrophobicContact CD1-CE1 4.48Å; L156-F201 HydrophobicContact CD1-CG 3.71Å; L156-F201 HydrophobicContact CD2-CD1 4.4Å; L156-F201 HydrophobicContact CD2-CD2 4.41Å; L156-F201 HydrophobicContact CD2-CE1 4.3Å; L156-F201 HydrophobicContact CD2-CE2 4.28Å; L156-F201 HydrophobicContact CD2-CG 4.47Å; L156-F201 HydrophobicContact CD2-CZ 4.23Å; L156-F201 HydrophobicContact CG-CD1 3.93Å; L156-F201 HydrophobicContact CG-CE1 4.13Å; L156-F201 HydrophobicContact CG-CG 4.22Å | ||
| 157 | T | 97 | Very high | 95.6 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.5 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | K155 W166 V167 | K155-T157 HydrophobicContact CD-CG2 4.4Å; K155-T157 HydrophobicContact CG-CG2 4.23Å; K155-T157 PolarHBondContact O-N 2.82Å; T157-W166 CarbonylContact O-C 3.56Å; T157-W166 WeakPolarHBondContact O-CA 3.33Å; T157-V167 PolarHBondContact N-O 2.82Å; T157-V167 PolarHBondContact O-N 2.95Å; T157-V167 PolarHBondContact OG1-O 2.88Å |
| 158 | P | 96.2 | Very high | 95.6 | Very high | 92 Ų | 92 | 53 Ų | 53 | 60% | 0.597 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.7 | 178.8 | 27.4 | -32.9 | 0 | 0 | 0 | 110.1 | W166 | P158-W166 HydrophobicContact CB-CE3 4.33Å; P158-W166 HydrophobicContact CB-CZ3 3.84Å; P158-W166 HydrophobicContact CG-CZ3 4.42Å |
| 159 | N | 90 | Very high | 95.6 | Very high | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 139.4 | 174.3 | -165.2 | 10.5 | 0 | 0 | 0 | 110.7 | G161 S162 S165 V167 | N159-G161 PolarHBondContact O-N 2.98Å; N159-S162 PolarHBondContact O-N 2.8Å; N159-S162 VanDerWaalsContact O-N 3.12Å; N159-S165 PolarHBondContact N-O 2.93Å; N159-V167 HydrophobicContact CB-CG2 4.02Å |
| 160 | V | 89.2 | Confident | 95.6 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 66% | 0.661 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 124.2 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 161 | G | 88.8 | Confident | 95.5 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 89% | 0.887 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 8.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | N159 | N159-G161 PolarHBondContact O-N 2.98Š|
| 162 | S | 93.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | trans | -132.6 | 127.9 | 172.9 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | N159 R164 S165 | N159-S162 PolarHBondContact O-N 2.8Å; N159-S162 VanDerWaalsContact O-N 3.12Å; S162-R164 VanDerWaalsContact C-N 3.34Å; S162-R164 WeakPolarHBondContact OG-CG 3.26Å; S162-R164 PolarHBondContact OG-N 3.46Å; S162-S165 WeakPolarHBondContact CB-OG 3.49Å; S162-S165 WeakPolarHBondContact OG-CB 3.18Å; S162-S165 PolarHBondContact OG-OG 2.76Å | ||
| 163 | D | 94.7 | Very high | 95.7 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -88.3 | -3.9 | 171.8 | 67 | -24.1 | 0 | 0 | 0 | 113.3 | S191 | D163-S191 WeakPolarHBondContact O-CB 2.79Š|
| 164 | R | 96.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 51 Ų | 51 | 30% | 0.302 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -124.5 | 19.7 | -172.8 | 61.5 | -177.1 | 173.2 | 168.5 | -4.8 | 113.1 | S162 R187 F188 A189 A194 | S162-R164 VanDerWaalsContact C-N 3.34Å; S162-R164 WeakPolarHBondContact OG-CG 3.26Å; S162-R164 PolarHBondContact OG-N 3.46Å; R164-R187 HydrophobicContact CG-CG 4.25Å; R164-R187 WeakPolarHBondContact O-CA 3.42Å; R164-F188 WeakPolarHBondContact CD-O 3.49Å; R164-F188 PolarHBondContact O-N 2.84Å; R164-A189 WeakPolarHBondContact CD-O 3.49Å; R164-A189 PolarHBondContact NH1-O 2.98Å; R164-A194 HydrophobicContact CB-CB 4.41Å |
| 165 | S | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.3 | -177.4 | -47.1 | 0 | 0 | 0 | 0 | 113.1 | N159 S162 I186 R187 | N159-S165 PolarHBondContact N-O 2.93Å; S162-S165 WeakPolarHBondContact CB-OG 3.49Å; S162-S165 WeakPolarHBondContact OG-CB 3.18Å; S162-S165 PolarHBondContact OG-OG 2.76Å; S165-I186 CarbonylContact C-O 3.58Å; S165-I186 WeakPolarHBondContact CA-O 3.37Å; S165-I186 WeakPolarHBondContact CB-O 3.42Å; S165-R187 WeakPolarHBondContact OG-CB 3.29Å; S165-R187 WeakPolarHBondContact OG-CG 3.34Å |
| 166 | W | 98.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.7 | 175.3 | -58.9 | 110.3 | 0 | 0 | 0 | 111.1 | L156 T157 P158 A185 I186 A194 F197 K198 | L156-W166 HydrophobicContact CB-CB 4.26Å; L156-W166 HydrophobicContact CB-CD2 4.38Å; L156-W166 HydrophobicContact CB-CE3 4.27Å; L156-W166 HydrophobicContact CB-CG 4.37Å; L156-W166 HydrophobicContact CD1-CG 4.44Å; L156-W166 HydrophobicContact CD2-CB 4.02Å; T157-W166 CarbonylContact O-C 3.56Å; T157-W166 WeakPolarHBondContact O-CA 3.33Å; P158-W166 HydrophobicContact CB-CE3 4.33Å; P158-W166 HydrophobicContact CB-CZ3 3.84Å; P158-W166 HydrophobicContact CG-CZ3 4.42Å; W166-A185 CarbonylContact O-C 3.54Å; W166-A185 VanDerWaalsContact O-CA 3.27Å; W166-A185 WeakPolarHBondContact O-CA 3.45Å; W166-I186 HydrophobicContact CB-CG2 4.23Å; W166-I186 PolarHBondContact N-O 2.79Å; W166-I186 PolarHBondContact O-N 2.99Å; W166-A194 PolarHBondContact NE1-O 2.69Å; W166-F197 AromaticContact CD1-CD1 3.98Å; W166-K198 HydrophobicContact CD2-CD 4.3Å; W166-K198 HydrophobicContact CE3-CD 4.33Å; W166-K198 HydrophobicContact CH2-CD 3.52Å; W166-K198 HydrophobicContact CZ2-CB 4.06Å; W166-K198 HydrophobicContact CZ2-CD 3.41Å; W166-K198 VanDerWaalsContact CZ2-CD 3.41Å; W166-K198 HydrophobicContact CZ2-CG 4.35Å; W166-K198 HydrophobicContact CZ3-CD 3.98Å |
| 167 | V | 98 | Very high | 95.5 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.2 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | W113 T157 N159 T183 F184 A185 | W113-V167 HydrophobicContact CH2-CG1 3.85Å; W113-V167 HydrophobicContact CH2-CG2 4.22Å; W113-V167 HydrophobicContact CZ2-CG1 4.22Å; W113-V167 HydrophobicContact CZ2-CG2 4.17Å; T157-V167 PolarHBondContact N-O 2.82Å; T157-V167 PolarHBondContact O-N 2.95Å; T157-V167 PolarHBondContact OG1-O 2.88Å; N159-V167 HydrophobicContact CB-CG2 4.02Å; V167-T183 HydrophobicContact CG1-CG2 4.12Å; V167-F184 CarbonylContact C-O 3.54Å; V167-F184 VanDerWaalsContact CA-O 3.23Å; V167-F184 WeakPolarHBondContact CA-O 3.47Å; V167-F184 WeakPolarHBondContact CG1-O 3.46Å; V167-A185 HydrophobicContact CG2-CB 3.88Å |
| 168 | W | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 159.7 | 172.2 | 70.9 | 103.9 | 0 | 0 | 0 | 111.9 | L103 L134 H148 K155 L156 F184 I186 | L103-W168 HydrophobicContact CD1-CH2 3.97Å; L134-W168 HydrophobicContact CD1-CZ2 4.23Å; H148-W168 AromaticContact CE1-NE1 3.5Å; H148-W168 PolarHBondContact CE1-NE1 2.86Å; H148-W168 AromaticContact NE2-CE2 3.98Å; H148-W168 AromaticContact NE2-CZ2 3.86Å; H148-W168 AromaticContact NE2-NE1 3.45Å; H148-W168 PolarHBondContact NE2-NE1 3.22Å; K155-W168 WeakPolarHBondContact O-CB 3.3Å; L156-W168 HydrophobicContact CD2-CB 4.03Å; L156-W168 HydrophobicContact CD2-CD2 3.86Å; L156-W168 HydrophobicContact CD2-CE3 3.64Å; L156-W168 HydrophobicContact CD2-CG 4.05Å; L156-W168 HydrophobicContact CD2-CZ3 4.44Å; W168-F184 HydrophobicContact CD2-CB 4.18Å; W168-F184 HydrophobicContact CE3-CB 4.23Å; W168-F184 HydrophobicContact CH2-CB 3.8Å; W168-F184 HydrophobicContact CZ2-CB 3.75Å; W168-F184 AromaticContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CG 4.23Å; W168-F184 HydrophobicContact CZ3-CB 4.03Å; W168-F184 PolarHBondContact N-O 3.21Å; W168-F184 PolarHBondContact O-N 2.92Å; W168-I186 HydrophobicContact CE3-CG2 4.48Å; W168-I186 HydrophobicContact CH2-CB 3.8Å; W168-I186 HydrophobicContact CH2-CD1 4.48Å; W168-I186 HydrophobicContact CH2-CG2 3.91Å; W168-I186 HydrophobicContact CZ3-CB 3.65Å; W168-I186 HydrophobicContact CZ3-CG2 3.42Å; W168-I186 VanDerWaalsContact CZ3-CG2 3.42Å |
| 169 | T | 97.7 | Very high | 95.4 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.6 | 174.1 | 56 | 0 | 0 | 0 | 0 | 110.2 | E182 T183 | T169-E182 CarbonylContact C-O 3.53Å; T169-E182 WeakPolarHBondContact CA-O 3.43Å; T169-T183 HydrophobicContact CG2-CG2 4.14Å |
| 170 | V | 97.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.5 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | H148 M154 D173 A181 E182 F184 | H148-V170 HydrophobicContact CB-CG1 3.62Å; M154-V170 HydrophobicContact CE-CB 4.26Å; M154-V170 HydrophobicContact CE-CG1 3.91Å; M154-V170 HydrophobicContact CE-CG2 4.01Å; V170-D173 HydrophobicContact CG1-CB 4.01Å; V170-A181 CarbonylContact O-C 3.57Å; V170-A181 VanDerWaalsContact O-CA 3.26Å; V170-A181 WeakPolarHBondContact O-CA 3.47Å; V170-E182 PolarHBondContact N-O 2.91Å; V170-E182 PolarHBondContact O-N 2.68Å; V170-F184 HydrophobicContact CB-CD2 4.38Å; V170-F184 HydrophobicContact CB-CE2 4.23Å; V170-F184 HydrophobicContact CG2-CD2 3.65Å; V170-F184 HydrophobicContact CG2-CE2 3.87Å |
| 171 | A | 96.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 63% | 0.628 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -30.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A181 | A171-A181 WeakPolarHBondContact O-CA 3.41Å |
| 172 | A | 97 | Very high | 96.5 | Very high | 50 Ų | 50 | 53 Ų | 53 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 80.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P179 | A172-P179 HydrophobicContact CB-CB 4Å |
| 173 | D | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.4 | 165.7 | -178.3 | 81.9 | 0 | 0 | 0 | 110 | A146 N147 H148 V170 S175 T180 E182 F184 | A146-D173 WeakPolarHBondContact CA-OD1 3.49Å; N147-D173 PolarHBondContact N-OD1 3.41Å; H148-D173 HydrophobicContact CB-CB 4.44Å; H148-D173 IonicContact CD2-OD1 2.64Å; V170-D173 HydrophobicContact CG1-CB 4.01Å; D173-S175 WeakPolarHBondContact OD2-CB 3.41Å; D173-S175 PolarHBondContact OD2-N 2.84Å; D173-S175 VanDerWaalsContact OD2-N 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.25Å; D173-T180 PolarHBondContact N-O 2.97Å; D173-T180 PolarHBondContact O-N 2.8Å; D173-T180 PolarHBondContact O-OG1 3.1Å; D173-T180 VanDerWaalsContact O-OG1 3.11Å; D173-E182 HydrophobicContact CB-CG 4.13Å; D173-F184 HydrophobicContact CB-CE2 4.03Å; D173-F184 HydrophobicContact CB-CZ 4.07Å |
| 174 | V | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | trans | -109.5 | 21.9 | -175.9 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | N147 E176 G177 P179 | N147-V174 HydrophobicContact CB-CG2 4Å; N147-V174 VanDerWaalsContact O-CG2 3.29Å; N147-V174 WeakPolarHBondContact O-CG2 3.11Å; N147-V174 PolarHBondContact O-N 3.25Å; V174-E176 PolarHBondContact O-N 2.77Å; V174-G177 PolarHBondContact O-N 3.4Å; V174-P179 HydrophobicContact CG1-CB 4.12Å; V174-P179 HydrophobicContact CG1-CG 3.91Å | ||
| 175 | S | 95.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.1 | -177.2 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | R116 D173 | R116-S175 PolarHBondContact NH2-OG 2.83Å; D173-S175 WeakPolarHBondContact OD2-CB 3.41Å; D173-S175 PolarHBondContact OD2-N 2.84Å; D173-S175 VanDerWaalsContact OD2-N 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.25Å |
| 176 | E | 93.8 | Very high | 96.9 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 13.7 | 175.9 | -55.7 | -67.2 | 163.9 | 0 | 0 | 112.6 | R116 V174 | R116-E176 IonicContact CZ-OE1 2.7Å; R116-E176 IonicContact NE-OE1 2.67Å; R116-E176 PolarHBondContact NE-OE1 3.25Å; R116-E176 IonicContact NH2-OE1 3.1Å; R116-E176 PolarHBondContact NH2-OE1 3.5Å; V174-E176 PolarHBondContact O-N 2.77Å |
| 177 | G | 93.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 104.5 | -63.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V174 | V174-G177 PolarHBondContact O-N 3.4Š|
| 178 | E | 94.7 | Very high | 97 | Very high | 156 Ų | 156 | 44.4 Ų | 44.4 | 73% | 0.729 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -86.2 | 148.5 | 178.5 | -66.3 | -171.7 | 169.6 | 0 | 0 | 112.3 | T180 | E178-T180 PolarHBondContact O-N 3.2Š|
| 179 | P | 96.8 | Very high | 96.9 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | trans | -62.4 | 117.9 | 173.5 | -19.7 | 31.5 | 0 | 0 | 0 | 111.3 | A172 V174 | A172-P179 HydrophobicContact CB-CB 4Å; V174-P179 HydrophobicContact CG1-CB 4.12Å; V174-P179 HydrophobicContact CG1-CG 3.91Å | ||
| 180 | T | 96.4 | Very high | 96.9 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.7 | -179.7 | 52 | 0 | 0 | 0 | 0 | 111.3 | D173 E178 | D173-T180 PolarHBondContact N-O 2.97Å; D173-T180 PolarHBondContact O-N 2.8Å; D173-T180 PolarHBondContact O-OG1 3.1Å; D173-T180 VanDerWaalsContact O-OG1 3.11Å; E178-T180 PolarHBondContact O-N 3.2Å |
| 181 | A | 96.8 | Very high | 96.9 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V170 A171 | V170-A181 CarbonylContact O-C 3.57Å; V170-A181 VanDerWaalsContact O-CA 3.26Å; V170-A181 WeakPolarHBondContact O-CA 3.47Å; A171-A181 WeakPolarHBondContact O-CA 3.41Å |
| 182 | E | 96.7 | Very high | 97 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.8 | -170.7 | -66.8 | -62.7 | 176.9 | 0 | 0 | 111.8 | R105 T169 V170 D173 F184 | R105-E182 VanDerWaalsContact CD-OE2 3.24Å; R105-E182 WeakPolarHBondContact CD-OE2 3.3Å; R105-E182 WeakPolarHBondContact CG-OE2 3.41Å; R105-E182 IonicContact CZ-OE1 2.73Å; R105-E182 IonicContact CZ-OE2 2.94Å; R105-E182 IonicContact NE-OE1 2.67Å; R105-E182 PolarHBondContact NE-OE1 2.91Å; R105-E182 IonicContact NE-OE2 3.86Å; R105-E182 PolarHBondContact NE-OE2 2.84Å; R105-E182 IonicContact NH2-OE1 3.52Å; R105-E182 PolarHBondContact NH2-OE1 2.92Å; R105-E182 IonicContact NH2-OE2 2.58Å; T169-E182 CarbonylContact C-O 3.53Å; T169-E182 WeakPolarHBondContact CA-O 3.43Å; V170-E182 PolarHBondContact N-O 2.91Å; V170-E182 PolarHBondContact O-N 2.68Å; D173-E182 HydrophobicContact CB-CG 4.13Å; E182-F184 HydrophobicContact CB-CD1 4.47Å; E182-F184 HydrophobicContact CB-CD2 4.29Å; E182-F184 HydrophobicContact CB-CE1 3.93Å; E182-F184 HydrophobicContact CB-CE2 3.74Å; E182-F184 HydrophobicContact CB-CZ 3.53Å; E182-F184 HydrophobicContact CG-CE1 4.29Å; E182-F184 HydrophobicContact CG-CE2 4.41Å; E182-F184 HydrophobicContact CG-CZ 3.84Å |
| 183 | T | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 17% | 0.172 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113 | 167.6 | -56.9 | 0 | 0 | 0 | 0 | 107.6 | F106 W113 V167 T169 | F106-T183 HydrophobicContact CB-CG2 4.2Å; F106-T183 PolarHBondContact N-O 2.88Å; W113-T183 HydrophobicContact CH2-CG2 4.03Å; V167-T183 HydrophobicContact CG1-CG2 4.12Å; T169-T183 HydrophobicContact CG2-CG2 4.14Å |
| 184 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.2 | -175.3 | -69.1 | -51.5 | 0 | 0 | 0 | 111 | L103 F104 V167 W168 V170 D173 E182 | L103-F184 HydrophobicContact CD1-CB 4.01Å; L103-F184 HydrophobicContact CD1-CD1 4.11Å; L103-F184 HydrophobicContact CD1-CG 4.14Å; L103-F184 HydrophobicContact CD2-CD1 4.24Å; L103-F184 HydrophobicContact CD2-CE1 4.29Å; L103-F184 HydrophobicContact CG-CD1 4.23Å; F104-F184 WeakPolarHBondContact O-CA 3.24Å; V167-F184 CarbonylContact C-O 3.54Å; V167-F184 VanDerWaalsContact CA-O 3.23Å; V167-F184 WeakPolarHBondContact CA-O 3.47Å; V167-F184 WeakPolarHBondContact CG1-O 3.46Å; W168-F184 HydrophobicContact CD2-CB 4.18Å; W168-F184 HydrophobicContact CE3-CB 4.23Å; W168-F184 HydrophobicContact CH2-CB 3.8Å; W168-F184 HydrophobicContact CZ2-CB 3.75Å; W168-F184 AromaticContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CG 4.23Å; W168-F184 HydrophobicContact CZ3-CB 4.03Å; W168-F184 PolarHBondContact N-O 3.21Å; W168-F184 PolarHBondContact O-N 2.92Å; V170-F184 HydrophobicContact CB-CD2 4.38Å; V170-F184 HydrophobicContact CB-CE2 4.23Å; V170-F184 HydrophobicContact CG2-CD2 3.65Å; V170-F184 HydrophobicContact CG2-CE2 3.87Å; D173-F184 HydrophobicContact CB-CE2 4.03Å; D173-F184 HydrophobicContact CB-CZ 4.07Å; E182-F184 HydrophobicContact CB-CD1 4.47Å; E182-F184 HydrophobicContact CB-CD2 4.29Å; E182-F184 HydrophobicContact CB-CE1 3.93Å; E182-F184 HydrophobicContact CB-CE2 3.74Å; E182-F184 HydrophobicContact CB-CZ 3.53Å; E182-F184 HydrophobicContact CG-CE1 4.29Å; E182-F184 HydrophobicContact CG-CE2 4.41Å; E182-F184 HydrophobicContact CG-CZ 3.84Å |
| 185 | A | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L103 F104 W113 W166 V167 | L103-A185 CarbonylContact C-O 3.49Å; L103-A185 WeakPolarHBondContact CA-O 3.48Å; F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 PolarHBondContact N-O 3.25Å; F104-A185 PolarHBondContact O-N 3.11Å; W113-A185 HydrophobicContact CD2-CB 4.4Å; W113-A185 HydrophobicContact CE3-CB 3.91Å; W113-A185 HydrophobicContact CH2-CB 3.69Å; W113-A185 HydrophobicContact CZ2-CB 4.21Å; W113-A185 HydrophobicContact CZ3-CB 3.52Å; W166-A185 CarbonylContact O-C 3.54Å; W166-A185 VanDerWaalsContact O-CA 3.27Å; W166-A185 WeakPolarHBondContact O-CA 3.45Å; V167-A185 HydrophobicContact CG2-CB 3.88Å |
| 186 | I | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.4 | 173.8 | -165.2 | 166.5 | 0 | 0 | 0 | 108.9 | A101 K102 L103 A121 S165 W166 W168 F188 F197 | A101-I186 HydrophobicContact CB-CD1 3.73Å; A101-I186 HydrophobicContact CB-CG1 3.65Å; K102-I186 WeakPolarHBondContact O-CA 3.45Å; L103-I186 HydrophobicContact CD1-CB 4.28Å; A121-I186 HydrophobicContact CB-CD1 3.87Å; S165-I186 CarbonylContact C-O 3.58Å; S165-I186 WeakPolarHBondContact CA-O 3.37Å; S165-I186 WeakPolarHBondContact CB-O 3.42Å; W166-I186 HydrophobicContact CB-CG2 4.23Å; W166-I186 PolarHBondContact N-O 2.79Å; W166-I186 PolarHBondContact O-N 2.99Å; W168-I186 HydrophobicContact CE3-CG2 4.48Å; W168-I186 HydrophobicContact CH2-CB 3.8Å; W168-I186 HydrophobicContact CH2-CD1 4.48Å; W168-I186 HydrophobicContact CH2-CG2 3.91Å; W168-I186 HydrophobicContact CZ3-CB 3.65Å; W168-I186 HydrophobicContact CZ3-CG2 3.42Å; W168-I186 VanDerWaalsContact CZ3-CG2 3.42Å; I186-F188 HydrophobicContact CB-CE2 4.45Å; I186-F188 HydrophobicContact CD1-CE1 4.25Å; I186-F188 HydrophobicContact CD1-CE2 4.29Å; I186-F188 HydrophobicContact CD1-CZ 3.64Å; I186-F188 HydrophobicContact CG1-CE1 4.49Å; I186-F188 HydrophobicContact CG1-CE2 4.07Å; I186-F188 HydrophobicContact CG1-CZ 3.87Å; I186-F188 HydrophobicContact CG2-CE2 3.63Å; I186-F188 HydrophobicContact CG2-CZ 4.04Å; I186-F197 HydrophobicContact CD1-CE2 4.42Å; I186-F197 HydrophobicContact CD1-CZ 4.28Å; I186-F197 HydrophobicContact CG2-CD1 4.38Å; I186-F197 HydrophobicContact CG2-CE1 3.93Å; I186-F197 HydrophobicContact CG2-CZ 4.42Å |
| 187 | R | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.1 | 176.6 | 177.3 | 171.8 | 55.5 | 157 | -2.9 | 110.5 | A101 K102 F104 R164 S165 | A101-R187 WeakPolarHBondContact CA-O 3.26Å; K102-R187 PolarHBondContact N-O 2.67Å; K102-R187 PolarHBondContact O-N 2.7Å; F104-R187 HydrophobicContact CE2-CB 4.14Å; R164-R187 HydrophobicContact CG-CG 4.25Å; R164-R187 WeakPolarHBondContact O-CA 3.42Å; S165-R187 WeakPolarHBondContact OG-CB 3.29Å; S165-R187 WeakPolarHBondContact OG-CG 3.34Å |
| 188 | F | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -107.1 | 172.8 | 176 | -61.4 | -84 | 0 | 0 | 0 | 111.6 | M99 A101 R164 I186 N193 A194 F197 | M99-F188 HydrophobicContact CB-CE1 4.35Å; M99-F188 HydrophobicContact CG-CD1 4.01Å; M99-F188 HydrophobicContact CG-CE1 4.21Å; M99-F188 HydrophobicContact SD-CD1 3.68Å; M99-F188 HydrophobicContact SD-CE1 4Å; A101-F188 HydrophobicContact CB-CD1 3.92Å; A101-F188 HydrophobicContact CB-CE1 3.69Å; A101-F188 HydrophobicContact CB-CZ 4.31Å; R164-F188 WeakPolarHBondContact CD-O 3.49Å; R164-F188 PolarHBondContact O-N 2.84Å; I186-F188 HydrophobicContact CB-CE2 4.45Å; I186-F188 HydrophobicContact CD1-CE1 4.25Å; I186-F188 HydrophobicContact CD1-CE2 4.29Å; I186-F188 HydrophobicContact CD1-CZ 3.64Å; I186-F188 HydrophobicContact CG1-CE1 4.49Å; I186-F188 HydrophobicContact CG1-CE2 4.07Å; I186-F188 HydrophobicContact CG1-CZ 3.87Å; I186-F188 HydrophobicContact CG2-CE2 3.63Å; I186-F188 HydrophobicContact CG2-CZ 4.04Å; F188-N193 HydrophobicContact CB-CB 3.91Å; F188-N193 HydrophobicContact CG-CB 4.44Å; F188-A194 HydrophobicContact CB-CB 4.27Å; F188-A194 VanDerWaalsContact CD2-CA 3.48Å; F188-A194 HydrophobicContact CD2-CB 3.68Å; F188-A194 HydrophobicContact CE2-CB 4.48Å; F188-A194 HydrophobicContact CG-CB 4.3Å; F188-F197 HydrophobicContact CE1-CB 4Å; F188-F197 HydrophobicContact CE1-CD2 4.28Å; F188-F197 HydrophobicContact CE1-CG 4.14Å; F188-F197 HydrophobicContact CE2-CB 3.7Å; F188-F197 AromaticContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD2 4.44Å; F188-F197 HydrophobicContact CE2-CE1 4.37Å; F188-F197 AromaticContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CZ-CB 3.39Å; F188-F197 AromaticContact CZ-CD1 3.61Å; F188-F197 HydrophobicContact CZ-CD1 3.61Å; F188-F197 AromaticContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CE1 4.23Å; F188-F197 HydrophobicContact CZ-CE2 4.2Å; F188-F197 AromaticContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CZ 4.49Å | ||
| 189 | A | 97.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 49 Ų | 49 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -61.7 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R164 | R164-A189 WeakPolarHBondContact CD-O 3.49Å; R164-A189 PolarHBondContact NH1-O 2.98Å |
| 190 | N | 97.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -142.5 | 172.8 | -176.9 | 60.5 | 33.6 | 0 | 0 | 0 | 110.6 | E192 N193 A194 | N190-E192 PolarHBondContact OD1-N 2.75Å; N190-N193 WeakPolarHBondContact OD1-CB 3.29Å; N190-N193 PolarHBondContact OD1-N 3.08Å; N190-N193 PolarHBondContact OD1-ND2 2.74Å; N190-A194 PolarHBondContact O-N 2.8Å |
| 191 | S | 97.4 | Very high | 98 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.2 | -34.4 | -178.5 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | D163 N193 A194 N195 | D163-S191 WeakPolarHBondContact O-CB 2.79Å; S191-N193 PolarHBondContact O-N 3.32Å; S191-A194 PolarHBondContact O-N 3.48Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 2.88Å; S191-N195 PolarHBondContact O-ND2 3.19Å; S191-N195 VanDerWaalsContact O-ND2 3.16Å |
| 192 | E | 98.1 | Very high | 98 | Very high | 147 Ų | 147 | 43.9 Ų | 43.9 | 69% | 0.687 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -57.3 | -49.9 | 175 | -176.3 | 179.1 | -173.1 | 0 | 0 | 111.6 | N190 A194 N195 L196 | N190-E192 PolarHBondContact OD1-N 2.75Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.99Å; E192-N195 PolarHBondContact O-N 3.29Å; E192-L196 PolarHBondContact O-N 3Å |
| 193 | N | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 175.8 | -78 | -5.1 | 0 | 0 | 0 | 112.2 | M99 F188 N190 S191 L196 F197 | M99-N193 HydrophobicContact CE-CB 4.12Å; M99-N193 HydrophobicContact SD-CB 3.4Å; M99-N193 WeakPolarHBondContact SD-CB 3.28Å; F188-N193 HydrophobicContact CB-CB 3.91Å; F188-N193 HydrophobicContact CG-CB 4.44Å; N190-N193 WeakPolarHBondContact OD1-CB 3.29Å; N190-N193 PolarHBondContact OD1-N 3.08Å; N190-N193 PolarHBondContact OD1-ND2 2.74Å; S191-N193 PolarHBondContact O-N 3.32Å; N193-L196 PolarHBondContact O-N 3.24Å; N193-F197 PolarHBondContact O-N 3.44Å |
| 194 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R164 W166 F188 N190 S191 E192 F197 K198 | R164-A194 HydrophobicContact CB-CB 4.41Å; W166-A194 PolarHBondContact NE1-O 2.69Å; F188-A194 HydrophobicContact CB-CB 4.27Å; F188-A194 VanDerWaalsContact CD2-CA 3.48Å; F188-A194 HydrophobicContact CD2-CB 3.68Å; F188-A194 HydrophobicContact CE2-CB 4.48Å; F188-A194 HydrophobicContact CG-CB 4.3Å; N190-A194 PolarHBondContact O-N 2.8Å; S191-A194 PolarHBondContact O-N 3.48Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.99Å; A194-F197 PolarHBondContact O-N 2.82Å; A194-K198 PolarHBondContact O-N 2.75Å |
| 195 | N | 97.9 | Very high | 98.1 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68 | -40.2 | 177.6 | -70.1 | -34.5 | 0 | 0 | 0 | 111.7 | S191 E192 F197 K198 E199 | S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 2.88Å; S191-N195 PolarHBondContact O-ND2 3.19Å; S191-N195 VanDerWaalsContact O-ND2 3.16Å; E192-N195 PolarHBondContact O-N 3.29Å; N195-F197 VanDerWaalsContact C-N 3.33Å; N195-F197 PolarHBondContact O-N 2.87Å; N195-K198 WeakPolarHBondContact O-CB 3.42Å; N195-K198 PolarHBondContact O-N 2.83Å; N195-K198 VanDerWaalsContact O-N 3.15Å; N195-E199 PolarHBondContact O-N 3.33Å |
| 196 | L | 98.3 | Very high | 98 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.7 | -172 | 64 | 0 | 0 | 0 | 111.9 | F97 M99 E192 N193 N200 | F97-L196 HydrophobicContact CE2-CD2 4.29Å; F97-L196 HydrophobicContact CE2-CG 4.05Å; M99-L196 HydrophobicContact CE-CB 4.45Å; M99-L196 HydrophobicContact CE-CD2 3.86Å; E192-L196 PolarHBondContact O-N 3Å; N193-L196 PolarHBondContact O-N 3.24Å; L196-N200 PolarHBondContact O-N 2.79Å; L196-N200 VanDerWaalsContact O-N 3.14Å; L196-N200 PolarHBondContact O-ND2 2.5Å |
| 197 | F | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 171.7 | 171.7 | -100.6 | 0 | 0 | 0 | 111.5 | F97 L134 L156 W166 I186 F188 N193 A194 N195 E199 N200 F201 | F97-F197 HydrophobicContact CD1-CD2 4.25Å; F97-F197 HydrophobicContact CE1-CB 4.26Å; F97-F197 AromaticContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CG 4.44Å; F97-F197 HydrophobicContact CZ-CB 3.82Å; F97-F197 HydrophobicContact CZ-CD2 4.07Å; F97-F197 HydrophobicContact CZ-CG 4.47Å; L134-F197 HydrophobicContact CD1-CE2 3.99Å; L134-F197 HydrophobicContact CD1-CZ 3.81Å; L156-F197 HydrophobicContact CD1-CD1 4.27Å; L156-F197 HydrophobicContact CD1-CE1 4.01Å; L156-F197 HydrophobicContact CD2-CE1 4.29Å; W166-F197 AromaticContact CD1-CD1 3.98Å; I186-F197 HydrophobicContact CD1-CE2 4.42Å; I186-F197 HydrophobicContact CD1-CZ 4.28Å; I186-F197 HydrophobicContact CG2-CD1 4.38Å; I186-F197 HydrophobicContact CG2-CE1 3.93Å; I186-F197 HydrophobicContact CG2-CZ 4.42Å; F188-F197 HydrophobicContact CE1-CB 4Å; F188-F197 HydrophobicContact CE1-CD2 4.28Å; F188-F197 HydrophobicContact CE1-CG 4.14Å; F188-F197 HydrophobicContact CE2-CB 3.7Å; F188-F197 AromaticContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD2 4.44Å; F188-F197 HydrophobicContact CE2-CE1 4.37Å; F188-F197 AromaticContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CZ-CB 3.39Å; F188-F197 AromaticContact CZ-CD1 3.61Å; F188-F197 HydrophobicContact CZ-CD1 3.61Å; F188-F197 AromaticContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CE1 4.23Å; F188-F197 HydrophobicContact CZ-CE2 4.2Å; F188-F197 AromaticContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CZ 4.49Å; N193-F197 PolarHBondContact O-N 3.44Å; A194-F197 PolarHBondContact O-N 2.82Å; N195-F197 VanDerWaalsContact C-N 3.33Å; N195-F197 PolarHBondContact O-N 2.87Å; F197-E199 PolarHBondContact O-N 2.86Å; F197-N200 PolarHBondContact O-N 3.42Å; F197-F201 HydrophobicContact CE1-CB 4.46Å; F197-F201 HydrophobicContact CE1-CD2 4Å; F197-F201 HydrophobicContact CE2-CD2 4.33Å; F197-F201 AromaticContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CE2 4.31Å; F197-F201 HydrophobicContact CZ-CG 4.5Å; F197-F201 VanDerWaalsContact O-CB 3.27Å; F197-F201 WeakPolarHBondContact O-CB 3.4Å; F197-F201 PolarHBondContact O-N 3.11Å |
| 198 | K | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 179.6 | 174.4 | 173.3 | 178.2 | -174.6 | 0 | 112 | L156 W166 A194 N195 N200 F201 E202 | L156-K198 HydrophobicContact CD1-CB 3.98Å; L156-K198 HydrophobicContact CD1-CG 3.94Å; W166-K198 HydrophobicContact CD2-CD 4.3Å; W166-K198 HydrophobicContact CE3-CD 4.33Å; W166-K198 HydrophobicContact CH2-CD 3.52Å; W166-K198 HydrophobicContact CZ2-CB 4.06Å; W166-K198 HydrophobicContact CZ2-CD 3.41Å; W166-K198 VanDerWaalsContact CZ2-CD 3.41Å; W166-K198 HydrophobicContact CZ2-CG 4.35Å; W166-K198 HydrophobicContact CZ3-CD 3.98Å; A194-K198 PolarHBondContact O-N 2.75Å; N195-K198 WeakPolarHBondContact O-CB 3.42Å; N195-K198 PolarHBondContact O-N 2.83Å; N195-K198 VanDerWaalsContact O-N 3.15Å; K198-N200 VanDerWaalsContact C-N 3.35Å; K198-N200 PolarHBondContact O-N 3.31Å; K198-F201 PolarHBondContact O-N 3.22Å; K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 HydrophobicContact CG-CG 4.36Å; K198-E202 IonicContact NZ-OE1 3.91Å; K198-E202 WeakPolarHBondContact O-CB 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.5Å; K198-E202 PolarHBondContact O-N 3.31Å |
| 199 | E | 98.3 | Very high | 97.8 | Very high | 129 Ų | 129 | 53.8 Ų | 53.8 | 60% | 0.603 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -56.9 | -48 | 177.5 | -176.3 | -173.8 | 165.1 | 0 | 0 | 111.5 | N195 F197 K203 | N195-E199 PolarHBondContact O-N 3.33Å; F197-E199 PolarHBondContact O-N 2.86Å; E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.14Å; E199-K203 PolarHBondContact O-N 2.7Å |
| 200 | N | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 178.2 | -79.1 | -86.7 | 0 | 0 | 0 | 111.9 | F97 L123 L196 F197 K198 K203 Y204 | F97-N200 HydrophobicContact CB-CB 4.29Å; F97-N200 HydrophobicContact CD2-CB 3.93Å; F97-N200 HydrophobicContact CG-CB 4.22Å; L123-N200 HydrophobicContact CD1-CB 3.94Å; L196-N200 PolarHBondContact O-N 2.79Å; L196-N200 VanDerWaalsContact O-N 3.14Å; L196-N200 PolarHBondContact O-ND2 2.5Å; F197-N200 PolarHBondContact O-N 3.42Å; K198-N200 VanDerWaalsContact C-N 3.35Å; K198-N200 PolarHBondContact O-N 3.31Å; N200-K203 PolarHBondContact O-N 2.82Å; N200-Y204 HydrophobicContact CB-CD2 4.44Å; N200-Y204 HydrophobicContact CB-CE2 4.36Å; N200-Y204 WeakPolarHBondContact O-CD2 3.38Å; N200-Y204 PolarHBondContact O-N 2.64Å |
| 201 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 177.6 | -171 | -75.8 | 0 | 0 | 0 | 111 | L134 L150 M154 L156 F197 K198 Y204 Q205 | L134-F201 HydrophobicContact CD1-CD2 4.49Å; L134-F201 HydrophobicContact CD1-CE2 4.29Å; L150-F201 HydrophobicContact CD2-CD2 3.83Å; L150-F201 HydrophobicContact CD2-CE1 4.44Å; L150-F201 HydrophobicContact CD2-CE2 3.42Å; L150-F201 VanDerWaalsContact CD2-CE2 3.42Å; L150-F201 HydrophobicContact CD2-CZ 3.76Å; M154-F201 HydrophobicContact CB-CE1 4.19Å; M154-F201 HydrophobicContact CB-CZ 4.25Å; M154-F201 HydrophobicContact SD-CZ 4.03Å; L156-F201 HydrophobicContact CD1-CB 3.78Å; L156-F201 HydrophobicContact CD1-CD1 3.82Å; L156-F201 HydrophobicContact CD1-CD2 4.28Å; L156-F201 HydrophobicContact CD1-CE1 4.48Å; L156-F201 HydrophobicContact CD1-CG 3.71Å; L156-F201 HydrophobicContact CD2-CD1 4.4Å; L156-F201 HydrophobicContact CD2-CD2 4.41Å; L156-F201 HydrophobicContact CD2-CE1 4.3Å; L156-F201 HydrophobicContact CD2-CE2 4.28Å; L156-F201 HydrophobicContact CD2-CG 4.47Å; L156-F201 HydrophobicContact CD2-CZ 4.23Å; L156-F201 HydrophobicContact CG-CD1 3.93Å; L156-F201 HydrophobicContact CG-CE1 4.13Å; L156-F201 HydrophobicContact CG-CG 4.22Å; F197-F201 HydrophobicContact CE1-CB 4.46Å; F197-F201 HydrophobicContact CE1-CD2 4Å; F197-F201 HydrophobicContact CE2-CD2 4.33Å; F197-F201 AromaticContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CE2 4.31Å; F197-F201 HydrophobicContact CZ-CG 4.5Å; F197-F201 VanDerWaalsContact O-CB 3.27Å; F197-F201 WeakPolarHBondContact O-CB 3.4Å; F197-F201 PolarHBondContact O-N 3.11Å; K198-F201 PolarHBondContact O-N 3.22Å; F201-Y204 PolarHBondContact O-N 2.94Å; F201-Q205 WeakPolarHBondContact O-CB 3.11Å; F201-Q205 PolarHBondContact O-N 3.32Å |
| 202 | E | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | -179.9 | -70.3 | 177.1 | 165.7 | 0 | 0 | 111.3 | K198 Y204 Q205 E206 | K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 HydrophobicContact CG-CG 4.36Å; K198-E202 IonicContact NZ-OE1 3.91Å; K198-E202 WeakPolarHBondContact O-CB 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.5Å; K198-E202 PolarHBondContact O-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.1Å; E202-Q205 WeakPolarHBondContact O-CB 3.5Å; E202-Q205 PolarHBondContact O-N 2.86Å; E202-E206 WeakPolarHBondContact O-CG 3.23Å; E202-E206 PolarHBondContact O-N 3.44Å |
| 203 | K | 98 | Very high | 96.7 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.3 | -53.6 | 174.1 | 177.2 | -167.6 | 172 | -163.3 | 0 | 112.1 | E199 N200 E206 E207 | E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.14Å; E199-K203 PolarHBondContact O-N 2.7Å; N200-K203 PolarHBondContact O-N 2.82Å; K203-E206 PolarHBondContact O-N 3.5Å; K203-E207 PolarHBondContact O-N 2.77Å; K203-E207 VanDerWaalsContact O-N 3.1Å |
| 204 | Y | 97.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.9 | -24.9 | -177.1 | -69.1 | -64.6 | 0 | 0 | 0 | 112.9 | E96 L123 K125 T132 N200 F201 E202 E207 N208 | E96-Y204 HydrophobicContact CB-CD2 4.47Å; E96-Y204 HydrophobicContact CB-CE1 4.08Å; E96-Y204 HydrophobicContact CB-CE2 3.66Å; E96-Y204 VanDerWaalsContact CB-CZ 3.44Å; E96-Y204 WeakPolarHBondContact CB-OH 3.46Å; E96-Y204 HydrophobicContact CG-CE1 3.83Å; E96-Y204 HydrophobicContact CG-CE2 4.34Å; E96-Y204 PolarHBondContact OE2-OH 2.73Å; L123-Y204 HydrophobicContact CD1-CD2 3.78Å; L123-Y204 HydrophobicContact CD1-CE2 4.46Å; K125-Y204 HydrophobicContact CD-CE1 4.46Å; T132-Y204 HydrophobicContact CG2-CD1 4.34Å; T132-Y204 HydrophobicContact CG2-CG 3.97Å; N200-Y204 HydrophobicContact CB-CD2 4.44Å; N200-Y204 HydrophobicContact CB-CE2 4.36Å; N200-Y204 WeakPolarHBondContact O-CD2 3.38Å; N200-Y204 PolarHBondContact O-N 2.64Å; F201-Y204 PolarHBondContact O-N 2.94Å; E202-Y204 PolarHBondContact O-N 3.1Å; Y204-E207 PolarHBondContact O-N 2.88Å; Y204-N208 WeakPolarHBondContact O-CB 3.39Å; Y204-N208 PolarHBondContact O-N 2.58Å |
| 205 | Q | 96.8 | Very high | 93.7 | Very high | 21 Ų | 21 | 72.2 Ų | 72.2 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 168.5 | 178.3 | -178.7 | 4.4 | 0 | 0 | 111.4 | L150 M151 P152 M154 F201 E202 N208 A209 | L150-Q205 HydrophobicContact CB-CB 4.49Å; M151-Q205 WeakPolarHBondContact O-CG 3.24Å; M151-Q205 PolarHBondContact O-NE2 2.91Å; M151-Q205 VanDerWaalsContact O-NE2 3.11Å; P152-Q205 VanDerWaalsContact C-NE2 3.29Å; P152-Q205 PolarHBondContact O-NE2 3.14Å; M154-Q205 PolarHBondContact O-NE2 2.98Å; F201-Q205 WeakPolarHBondContact O-CB 3.11Å; F201-Q205 PolarHBondContact O-N 3.32Å; E202-Q205 WeakPolarHBondContact O-CB 3.5Å; E202-Q205 PolarHBondContact O-N 2.86Å; Q205-N208 PolarHBondContact O-N 3Å; Q205-A209 WeakPolarHBondContact O-CB 3.18Å; Q205-A209 PolarHBondContact O-N 2.87Å |
| 206 | E | 96.9 | Very high | 93.4 | Very high | 119 Ų | 119 | 71.5 Ų | 71.5 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | 174.5 | -73 | -175.9 | -172.9 | 0 | 0 | 112.6 | E202 K203 A209 K210 | E202-E206 WeakPolarHBondContact O-CG 3.23Å; E202-E206 PolarHBondContact O-N 3.44Å; K203-E206 PolarHBondContact O-N 3.5Å; E206-A209 WeakPolarHBondContact O-CB 3.24Å; E206-A209 PolarHBondContact O-N 2.91Å; E206-K210 WeakPolarHBondContact O-CG 2.81Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact O-N 3.11Å |
| 207 | E | 96.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.2 | -72.3 | -174 | -164.4 | 0 | 0 | 111.2 | K125 K203 Y204 A209 K210 I211 | K125-E207 IonicContact NZ-OE2 3.48Å; K125-E207 PolarHBondContact NZ-OE2 2.78Å; K203-E207 PolarHBondContact O-N 2.77Å; K203-E207 VanDerWaalsContact O-N 3.1Å; Y204-E207 PolarHBondContact O-N 2.88Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.36Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact O-N 3.17Å; E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 2.99Å; E207-I211 VanDerWaalsContact O-N 3.14Å |
| 208 | N | 97.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 174.9 | -80.3 | 4 | 0 | 0 | 0 | 112 | K131 T132 L150 Y204 Q205 K210 I211 L212 | K131-N208 WeakPolarHBondContact CA-OD1 3.43Å; T132-N208 PolarHBondContact N-ND2 2.71Å; T132-N208 PolarHBondContact N-OD1 3.32Å; T132-N208 PolarHBondContact O-ND2 3.3Å; L150-N208 WeakPolarHBondContact O-CB 3.47Å; L150-N208 PolarHBondContact O-ND2 3.45Å; Y204-N208 WeakPolarHBondContact O-CB 3.39Å; Y204-N208 PolarHBondContact O-N 2.58Å; Q205-N208 PolarHBondContact O-N 3Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.04Å; N208-I211 PolarHBondContact O-N 2.89Å; N208-I211 VanDerWaalsContact O-N 3.12Å; N208-L212 WeakPolarHBondContact O-CB 3.34Å; N208-L212 VanDerWaalsContact O-CG 3.3Å; N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 2.67Å |
| 209 | A | 96.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P152 Q205 E206 E207 K213 | P152-A209 HydrophobicContact CB-CB 3.87Å; P152-A209 HydrophobicContact CG-CB 3.56Å; Q205-A209 WeakPolarHBondContact O-CB 3.18Å; Q205-A209 PolarHBondContact O-N 2.87Å; E206-A209 WeakPolarHBondContact O-CB 3.24Å; E206-A209 PolarHBondContact O-N 2.91Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.36Å; A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 3.33Å |
| 210 | K | 95.7 | Very high | 92.2 | Very high | 129 Ų | 129 | 73.1 Ų | 73.1 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68 | -35 | 176.2 | -67.4 | 165.2 | -171.5 | 164.4 | 0 | 111.9 | E206 E207 N208 K214 | E206-K210 WeakPolarHBondContact O-CG 2.81Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact O-N 3.11Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact O-N 3.17Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.04Å; K210-K214 WeakPolarHBondContact O-CG 3.3Å |
| 211 | I | 94.6 | Very high | 91.8 | Very high | 37 Ų | 37 | 76.3 Ų | 76.3 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74 | -45.4 | 178.6 | -64.5 | 164 | 0 | 0 | 0 | 110.6 | G130 K131 E207 N208 K213 K214 | G130-I211 VanDerWaalsContact O-CD1 3.29Å; G130-I211 WeakPolarHBondContact O-CD1 3.43Å; K131-I211 HydrophobicContact CG-CG2 4.18Å; E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 2.99Å; E207-I211 VanDerWaalsContact O-N 3.14Å; N208-I211 PolarHBondContact O-N 2.89Å; N208-I211 VanDerWaalsContact O-N 3.12Å; I211-K213 VanDerWaalsContact C-N 3.26Å; I211-K213 PolarHBondContact O-N 3.22Å; I211-K214 PolarHBondContact O-N 3.04Å; I211-K214 VanDerWaalsContact O-N 3.1Å |
| 212 | L | 90.7 | Very high | 91.3 | Very high | 57 Ų | 57 | 81.8 Ų | 81.8 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -26.2 | -178.6 | -71.2 | 166.1 | 0 | 0 | 0 | 113.3 | M151 P152 N208 | M151-L212 HydrophobicContact CE-CD1 4.28Å; M151-L212 HydrophobicContact SD-CD1 4.19Å; P152-L212 HydrophobicContact CG-CD1 3.93Å; N208-L212 WeakPolarHBondContact O-CB 3.34Å; N208-L212 VanDerWaalsContact O-CG 3.3Å; N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 2.67Å |
| 213 | K | 88 | Confident | 90.8 | Very high | 181 Ų | 181 | 82.2 Ų | 82.2 | 79% | 0.787 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.6 | 174.2 | -73 | 176.1 | -177.2 | -178.9 | 0 | 114.1 | A209 I211 | A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 3.33Å; I211-K213 VanDerWaalsContact C-N 3.26Å; I211-K213 PolarHBondContact O-N 3.22Å |
| 214 | K | 76.5 | Confident | 90.2 | Very high | 180 Ų | 180 | 81 Ų | 81 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -15.1 | -178.4 | -75.4 | 179.9 | 178.6 | -175.6 | 0 | 113.1 | K210 I211 | K210-K214 WeakPolarHBondContact O-CG 3.3Å; I211-K214 PolarHBondContact O-N 3.04Å; I211-K214 VanDerWaalsContact O-N 3.1Å |
| 215 | N | 55.5 | Low | 89.5 | Confident | 173 Ų | 173 | 87.7 Ų | 87.7 | 93% | 0.925 | 42% | 0.416 | S | S | * | . | trans | -112.3 | 0 | -179.1 | -63.6 | -9.3 | 0 | 0 | 0 | 109.9 |
Retrieved 215 of 215 residues in 105.6 ms
(Link to these results)