| 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 | 34.3 | Very low | 36 | Very low | 237 Ų | 237 | 155 Ų | 155 | 100% | 1.167 | 83% | 0.834 | S | S | * | * | 0 | 102.5 | 0 | -61.7 | 167.1 | -175.6 | 0 | 0 | 104.7 | |||||
| 2 | N | 34.1 | Very low | 37 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | cis | 49.5 | 103 | 48.6 | -86.3 | 20.5 | 0 | 0 | 0 | 112 | ||||
| 3 | L | 33.4 | Very low | 36.7 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | -165.1 | 158.8 | 122.8 | -93.4 | 167.3 | 0 | 0 | 0 | 108.5 | |||||
| 4 | P | 44.7 | Very low | 36.3 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | -95.9 | 175 | -165.6 | 38.7 | -37.4 | 0 | 0 | 0 | 114.3 | ||||
| 5 | P | 38.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.7 | 165.8 | 29.5 | -36.5 | 0 | 0 | 0 | 112.2 | ||
| 6 | P | 38.2 | Very low | 35.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 163.9 | -178.8 | 33.8 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 7 | E | 32.6 | Very low | 35.2 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 170.2 | -169.7 | -63.2 | 136.8 | 132.7 | 0 | 0 | 114.7 | ||
| 8 | W | 35.4 | Very low | 35 | Very low | 247 Ų | 247 | 147 Ų | 147 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 139.4 | 164.7 | -73.4 | 50.7 | 0 | 0 | 0 | 109.4 | ||
| 9 | P | 38.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.1 | 176.9 | 31.2 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 10 | D | 29.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 158.4 | 175.4 | -143.7 | -35 | 0 | 0 | 0 | 112.2 | ||
| 11 | S | 37.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -3.4 | 149 | 162 | -53.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 12 | P | 48 | Very low | 34 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | -118.8 | 136.5 | 111.5 | -3.7 | 24.1 | 0 | 0 | 0 | 112.2 | |||||
| 13 | L | 33.3 | Very low | 34.7 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 63.9 | 133.9 | 74.2 | -61.5 | 167.9 | 0 | 0 | 0 | 112.4 | |||||
| 14 | K | 30.5 | Very low | 34.6 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | -160.7 | -175.5 | 14.1 | -112.6 | 167.9 | 155.4 | -72.8 | 0 | 107.8 | ||||
| 15 | D | 27.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | cis | -167.2 | 171.2 | 1.6 | -111.2 | -26.4 | 0 | 0 | 0 | 106.6 | ||||
| 16 | S | 30 | Very low | 34.2 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | cis | -174.3 | 134.5 | -35.1 | -104.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 17 | I | 32.1 | Very low | 34.7 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 62.2 | 129.9 | 148.2 | -40.8 | 155.3 | 0 | 0 | 0 | 120.9 | ||||
| 18 | H | 32.6 | Very low | 34.5 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | 142.1 | 135.9 | 138.3 | -79.9 | 82.2 | 0 | 0 | 0 | 111.1 | ||||
| 19 | G | 29.6 | Very low | 34.1 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | cis | 168.5 | 163.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 20 | A | 30.7 | Very low | 33.4 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | trans | 68.1 | 149.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 21 | D | 29 | Very low | 33.3 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | cis | -150.3 | 172.3 | -3.8 | -128.8 | -32 | 0 | 0 | 0 | 114.1 | ||||
| 22 | L | 29.6 | Very low | 32.8 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -114 | -171.6 | 177.9 | -84.5 | 165.5 | 0 | 0 | 0 | 110.6 | ||||
| 23 | P | 48.9 | Very low | 32 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -133 | -170.5 | -6.8 | 22.6 | 4.4 | 0 | 0 | 0 | 115.9 | ||||
| 24 | E | 31.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -26.7 | 170.7 | 149.8 | -74.7 | -176.3 | 126.5 | 0 | 0 | 119.1 | ||||
| 25 | P | 43.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -146.4 | 178.3 | 27 | 44.4 | -24.2 | 0 | 0 | 0 | 120.4 | ||||
| 26 | E | 31.3 | Very low | 32.2 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -70.2 | -176.5 | 155.5 | -78.4 | -91.2 | 165.1 | 0 | 0 | 111.7 | ||||
| 27 | P | 48.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -145.9 | -177.7 | 11.3 | 46 | -26.8 | 0 | 0 | 0 | 119 | ||||
| 28 | A | 28.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 80.9 | 146.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 29 | S | 27.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 73 | 160 | 155 | 79.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 30 | C | 23.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | -168.9 | 160.9 | -36.3 | -104.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | S | 26.8 | Very low | 31.5 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 71 | 151 | 145.4 | 58.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 32 | E | 27.2 | Very low | 31.6 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 85.9 | 116.2 | 154.8 | -50.4 | -134.5 | 124.6 | 0 | 0 | 122 | ||||
| 33 | E | 29.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -76.7 | 166.1 | 142.4 | -64.6 | -171.5 | 124.8 | 0 | 0 | 109.5 | ||||
| 34 | P | 43.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | -152.2 | 158.4 | 108 | 36.3 | -19.5 | 0 | 0 | 0 | 117.4 | |||||
| 35 | L | 28 | Very low | 30.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | 44.8 | 143.4 | 139.8 | -59 | 166.7 | 0 | 0 | 0 | 121.2 | ||||
| 36 | G | 26 | Very low | 30.3 | Very low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 141.5 | 145.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | R | 27.4 | Very low | 30.2 | Very low | 257 Ų | 257 | 131.7 Ų | 131.7 | 97% | 0.97 | 76% | 0.758 | S | S | * | * | trans | 70.1 | 154.5 | 179.6 | -54.3 | 174 | 172.7 | 177.6 | -3.1 | 114.3 | ||||
| 38 | S | 27.1 | Very low | 29.2 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | cis | -134 | 157.6 | 18.5 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 39 | K | 27.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | 52.5 | 135.6 | 77.1 | -98.7 | 169.1 | 163.4 | -69.5 | 0 | 112.8 | E41 | K39-E41 IonicContact NZ-OE2 2.95Š| |||
| 40 | E | 29.5 | Very low | 29.3 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -155.4 | -162.5 | 32.2 | -146.8 | 137.5 | -119.1 | 0 | 0 | 116.3 | ||||
| 41 | E | 28.5 | Very low | 29.7 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -74.8 | -179.7 | -164.5 | -66.3 | 154.6 | 60.8 | 0 | 0 | 114.9 | K39 | K39-E41 IonicContact NZ-OE2 2.95Š| ||
| 42 | S | 30.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -162.9 | 145 | 34.8 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 43 | A | 31.2 | Very low | 31 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | 60.6 | 139.2 | 90.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 44 | L | 30.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | -159.5 | 138.3 | 57.4 | -83 | 161 | 0 | 0 | 0 | 109.8 | |||||
| 45 | S | 28.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 74.5 | 150.4 | 80.3 | -62.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 46 | S | 33.9 | Very low | 31.5 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -166.1 | -173.7 | -9.7 | 47.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 47 | E | 29.2 | Very low | 32 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -154.2 | -177.2 | -4.3 | -120.9 | -108.8 | 94.5 | 0 | 0 | 104.9 | Q49 | E47-Q49 WeakPolarHBondContact OE1-CG 3.42Å; E47-Q49 PolarHBondContact OE1-N 3.04Å; E47-Q49 WeakPolarHBondContact OE2-CG 3.41Å; E47-Q49 PolarHBondContact OE2-NE2 3.11Å | ||
| 48 | G | 28.8 | Very low | 32.3 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | cis | 176.1 | 170.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 49 | Q | 30.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 29.2 | 121.6 | 161 | -48.6 | -178.9 | 16.7 | 0 | 0 | 122.1 | E47 | E47-Q49 WeakPolarHBondContact OE1-CG 3.42Å; E47-Q49 PolarHBondContact OE1-N 3.04Å; E47-Q49 WeakPolarHBondContact OE2-CG 3.41Å; E47-Q49 PolarHBondContact OE2-NE2 3.11Å | ||
| 50 | R | 27.9 | Very low | 32.7 | Very low | 234 Ų | 234 | 137.1 Ų | 137.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | 177.6 | 162.4 | 96.7 | -93.1 | -175 | -178.7 | -165.1 | 0.1 | 112.7 | |||||
| 51 | S | 30.1 | Very low | 32.9 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -135.2 | 166.6 | 175.7 | -39 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 52 | P | 52.4 | Low | 33.2 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | -150 | -164.5 | 60.3 | 38.9 | -15.1 | 0 | 0 | 0 | 117 | |||||
| 53 | D | 29.6 | Very low | 34.1 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 80 | 94.6 | 154.5 | -58.4 | -25.1 | 0 | 0 | 0 | 124.3 | ||||
| 54 | V | 31.8 | Very low | 34.6 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 51.3 | 128.1 | 101.1 | 173 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 55 | P | 45.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -143.3 | 82.8 | -39.3 | 40.1 | -18.4 | 0 | 0 | 0 | 112.9 | ||||
| 56 | V | 33.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -96 | 110.8 | -172.7 | 179.1 | 0 | 0 | 0 | 0 | 113.4 | V58 | V56-V58 HydrophobicContact CG1-CG2 3.79Š| ||
| 57 | R | 36.7 | Very low | 35.4 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | trans | -88.9 | 110.6 | 168.8 | -79.1 | -175.5 | 173 | 175.4 | -1.3 | 110.8 | ||||
| 58 | V | 34 | Very low | 35.5 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -118.3 | 147.7 | 172.4 | 165.2 | 0 | 0 | 0 | 0 | 110.5 | V56 | V56-V58 HydrophobicContact CG1-CG2 3.79Š| ||
| 59 | C | 28.4 | Very low | 35.4 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -80.7 | 154.1 | -159.8 | -54.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 60 | K | 34.7 | Very low | 35.5 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -117.4 | 158.2 | 151.1 | -93.1 | -176.4 | 176.6 | 179.7 | 0 | 108.7 | ||||
| 61 | P | 34.6 | Very low | 35.5 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 152 | -161.4 | 24.5 | -35 | 0 | 0 | 0 | 114.5 | ||
| 62 | S | 32.8 | Very low | 35.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 139.1 | -171.9 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 63 | P | 50.1 | Low | 34.2 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 168.2 | 168.5 | 33.6 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 64 | P | 41.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 156.2 | 176 | 28.2 | -36.2 | 0 | 0 | 0 | 113.6 | ||
| 65 | P | 36.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 157.3 | -177.7 | 31.6 | -36 | 0 | 0 | 0 | 113.8 | ||
| 66 | P | 40 | Very low | 33.1 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 164.4 | -169.4 | 39.9 | -36.3 | 0 | 0 | 0 | 115 | ||
| 67 | P | 34 | Very low | 34 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 120.7 | 158.3 | 33 | -29.5 | 0 | 0 | 0 | 111.3 | ||
| 68 | A | 30.8 | Very low | 33.4 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -159.2 | 153.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | Q | 27.6 | Very low | 33.5 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -160.9 | 157.3 | -26.3 | -105.2 | -144.6 | 17 | 0 | 0 | 110.1 | ||||
| 70 | V | 32.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | 18.8 | 137.5 | 142 | -174 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 71 | K | 27.2 | Very low | 33.2 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -129.8 | 117.2 | 135.1 | -75.6 | -166.8 | 176.1 | -177 | 0 | 108 | ||||
| 72 | E | 30.1 | Very low | 33.8 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 62% | 0.621 | 76% | 0.761 | S | S | * | * | 63.4 | 135.1 | 95.9 | -74.4 | -152.8 | 123.1 | 0 | 0 | 113.5 | |||||
| 73 | K | 25 | Very low | 33.5 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | cis | -157.8 | 167.1 | 13.8 | -106 | 148.7 | 169.6 | 134.6 | 0 | 106.3 | ||||
| 74 | T | 27.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | cis | 174 | 142.8 | -14.2 | -89 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 75 | Q | 26.5 | Very low | 31.7 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 73.2 | 151.9 | 165.2 | -76.1 | 160.5 | 2.9 | 0 | 0 | 121.8 | ||||
| 76 | T | 30.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -134.4 | -163.7 | -179.9 | 61.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 77 | P | 52.4 | Low | 30.5 | Very low | 106 Ų | 106 | 147 Ų | 147 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | cis | -131.7 | -179.3 | -16.1 | 41.7 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 78 | K | 25.4 | Very low | 30.1 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 176.7 | 157.9 | 130.7 | -99.5 | 165.1 | -177 | 178.3 | 0 | 112.7 | ||||
| 79 | L | 36.5 | Very low | 29.8 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -111.2 | 138.6 | 173.5 | -136.1 | 83.8 | 0 | 0 | 0 | 109.3 | ||||
| 80 | F | 24.6 | Very low | 29.8 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -159.2 | 145.4 | 159 | -112 | -78 | 0 | 0 | 0 | 110.9 | ||||
| 81 | T | 31.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -123.1 | -176.9 | 168 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 82 | P | 47.5 | Very low | 29.6 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -114.8 | -173.3 | -29.8 | 39.2 | -27.1 | 0 | 0 | 0 | 110.6 | ||||
| 83 | S | 25.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -155.5 | 143.3 | 156.4 | -87.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 84 | K | 27.8 | Very low | 30 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -136.3 | 117 | -174 | -179.7 | -175.9 | -177.8 | -177.4 | 0 | 108.1 | ||||
| 85 | L | 26.8 | Very low | 30 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -133.9 | 143.2 | 174.7 | -91.3 | 172 | 0 | 0 | 0 | 110.7 | ||||
| 86 | S | 25.5 | Very low | 30 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 120.4 | -169.6 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | F | 25.9 | Very low | 29.9 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -142.5 | 108.5 | 162.8 | -87.3 | -94.6 | 0 | 0 | 0 | 105.5 | ||||
| 88 | T | 24.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | 80.6 | 142.5 | 60.4 | 64.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 89 | S | 25.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 79.2 | 155.8 | 173.5 | 83.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 90 | G | 25.7 | Very low | 29.1 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 111.7 | 30.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 91 | G | 25.7 | Very low | 29.5 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -79.6 | 141.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 92 | N | 31.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -165.6 | 131.6 | 142.9 | -100.6 | -24.7 | 0 | 0 | 0 | 111.6 | ||||
| 93 | N | 29.5 | Very low | 28.3 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -68.3 | 151.5 | 156.8 | -83.2 | -53.3 | 0 | 0 | 0 | 109.3 | ||||
| 94 | M | 33.3 | Very low | 29.1 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 96% | 0.956 | 81% | 0.81 | S | S | * | * | trans | -156.7 | 156.9 | 138.7 | -96.3 | -95.9 | -97.4 | 0 | 0 | 108.2 | ||||
| 95 | N | 28.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -141.7 | 138.7 | -151.5 | -176.4 | 30.6 | 0 | 0 | 0 | 113.2 | ||||
| 96 | L | 26.9 | Very low | 29.2 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 59.4 | 162.6 | 161.8 | -121.7 | 81.1 | 0 | 0 | 0 | 119.6 | ||||
| 97 | S | 26.7 | Very low | 29.4 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 56.1 | 117.4 | 164.4 | 33.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 98 | D | 30 | Very low | 30.2 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | -145.5 | 153.8 | 69.2 | -91.2 | -31.9 | 0 | 0 | 0 | 115.8 | |||||
| 99 | L | 31.5 | Very low | 31.3 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -137.3 | 136.8 | 167 | -93.5 | 172.7 | 0 | 0 | 0 | 108.8 | ||||
| 100 | P | 37.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -116.8 | 122.8 | 149.7 | 33.3 | -25.1 | 0 | 0 | 0 | 111 | ||||
| 101 | S | 31.9 | Very low | 31.6 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -88.1 | 138.4 | 170.8 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | F | 27.5 | Very low | 31.8 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -152.8 | 150 | 152.7 | -106.7 | -72.5 | 0 | 0 | 0 | 112.6 | ||||
| 103 | T | 27.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -150.4 | 176.7 | -178 | 56.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 104 | P | 42.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | cis | -121.4 | -174.1 | -41.7 | 34.9 | -19.3 | 0 | 0 | 0 | 111.5 | ||||
| 105 | G | 25.9 | Very low | 31.2 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -151.4 | 153.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 106 | A | 30.1 | Very low | 31.2 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -149.8 | 127.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 107 | F | 29.4 | Very low | 31.6 | Very low | 205 Ų | 205 | 144 Ų | 144 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | 60.1 | 173.9 | 151.6 | -71.8 | -61.4 | 0 | 0 | 0 | 117.7 | ||||
| 108 | P | 43.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | -126.6 | -141.6 | 8.2 | 47.7 | -28.8 | 0 | 0 | 0 | 113 | ||||
| 109 | P | 46.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | -133 | -178.9 | -127.4 | 38 | -14.3 | 0 | 0 | 0 | 116.6 | |||||
| 110 | S | 30.2 | Very low | 32.1 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -165.1 | 160.6 | 147.2 | 41.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 111 | A | 28.1 | Very low | 32 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -137 | 143.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 112 | F | 28.8 | Very low | 32.1 | Very low | 208 Ų | 208 | 152.3 Ų | 152.3 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -145.4 | 130.1 | 165.4 | -101.6 | -82.5 | 0 | 0 | 0 | 109.9 | ||||
| 113 | N | 28 | Very low | 32.3 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 147.8 | 159.7 | -68.7 | -47 | 0 | 0 | 0 | 108.7 | ||||
| 114 | Y | 27.1 | Very low | 32.7 | Very low | 208 Ų | 208 | 149.9 Ų | 149.9 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | -162.6 | 173.8 | 126 | -112.8 | -74.6 | 0 | 0 | 0 | 110.8 | |||||
| 115 | E | 26.6 | Very low | 32 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 166.6 | -146.2 | -61.8 | 158.8 | 124.6 | 0 | 0 | 116.1 | ||
| 116 | R | 28.8 | Very low | 32.2 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 134.5 | 160.7 | -100.9 | -174.4 | 174.1 | 176.5 | -2.4 | 110.7 | ||
| 117 | P | 34.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 139 | 143.6 | -16 | 32 | 0 | 0 | 0 | 111.1 | ||
| 118 | R | 31.2 | Very low | 32.3 | Very low | 208 Ų | 208 | 154.6 Ų | 154.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 158.4 | 152.4 | -69.2 | 171.6 | 168.5 | 153.8 | -6.3 | 106.8 | ||
| 119 | H | 36.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 62% | 0.62 | 80% | 0.8 | S | S | * | * | -176.8 | 143.6 | 65.2 | -103.4 | -80.1 | 0 | 0 | 0 | 112 | |||||
| 120 | F | 31.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | trans | 59.5 | 160.4 | 131.8 | -74.1 | -158.1 | 0 | 0 | 0 | 120.6 | ||||
| 121 | I | 33.7 | Very low | 31.7 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | cis | -125.3 | -159.4 | 9.1 | -153.6 | 160.2 | 0 | 0 | 0 | 113 | ||||
| 122 | Q | 33.8 | Very low | 32.1 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 127.6 | -153.4 | 175.9 | -177.2 | -43.2 | 0 | 0 | 114.5 | ||||
| 123 | S | 32.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 154 Ų | 154 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -131 | 100.4 | 161.2 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 124 | Q | 36.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 78.1 | 143.7 | 75.2 | -73 | -168.2 | 33.1 | 0 | 0 | 113.5 | |||||
| 125 | A | 28.2 | Very low | 34.4 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | cis | -134.1 | 154 | 12.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 126 | A | 28.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -150.2 | 144.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 127 | F | 30.1 | Very low | 36.1 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 96% | 0.956 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 137.6 | 176.4 | -95.4 | -111.8 | 0 | 0 | 0 | 111.3 | ||||
| 128 | Q | 31.7 | Very low | 36.6 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | trans | -140.5 | 150.3 | 164.7 | -76.7 | -164.1 | -27.4 | 0 | 0 | 111.7 | ||||
| 129 | A | 33.5 | Very low | 37.2 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 158.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 130 | P | 35 | Very low | 37.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 150 | 177.5 | 28.1 | -35.8 | 0 | 0 | 0 | 112.7 | ||
| 131 | S | 40 | Very low | 38.2 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 162.3 | 178.6 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | E133 S134 | S131-E133 PolarHBondContact O-N 3.04Å; S131-S134 PolarHBondContact O-N 2.95Å; S131-S134 PolarHBondContact O-OG 2.9Å |
| 132 | Y | 36 | Very low | 38.8 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -59.7 | -11.1 | -169.9 | -164.5 | -104 | 0 | 0 | 0 | 116.2 | L136 | Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CE1-CD1 4.04Å |
| 133 | E | 45.1 | Very low | 39.2 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -92.2 | -15.9 | -170.8 | -157.7 | 168.6 | -152.5 | 0 | 0 | 114 | S131 | S131-E133 PolarHBondContact O-N 3.04Å |
| 134 | S | 40.3 | Very low | 39.6 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 41% | 0.413 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -75.9 | -45 | 172.5 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | S131 L136 R137 E138 | S131-S134 PolarHBondContact O-N 2.95Å; S131-S134 PolarHBondContact O-OG 2.9Å; S134-L136 PolarHBondContact O-N 2.97Å; S134-R137 PolarHBondContact O-N 3.02Å; S134-E138 PolarHBondContact O-N 2.95Å |
| 135 | V | 47.8 | Very low | 40 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -57.4 | -35 | -177.2 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | A139 | V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 3.21Å; V135-A139 VanDerWaalsContact O-N 3.13Å |
| 136 | L | 44.9 | Very low | 40.7 | Very low | 101 Ų | 101 | 131 Ų | 131 | 53% | 0.529 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -71 | -28.5 | 178.4 | -76.6 | 166.8 | 0 | 0 | 0 | 113.7 | Y132 S134 Q140 | Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CE1-CD1 4.04Å; S134-L136 PolarHBondContact O-N 2.97Å; L136-Q140 WeakPolarHBondContact O-CB 3.43Å |
| 137 | R | 45 | Very low | 41.3 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 73% | 0.725 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.1 | -44.9 | 172.9 | -85.5 | -175.1 | 162.8 | 122.4 | -2.4 | 111.7 | S134 A139 Q140 E141 | S134-R137 PolarHBondContact O-N 3.02Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.09Å; R137-Q140 PolarHBondContact O-N 2.87Å; R137-E141 PolarHBondContact O-N 2.79Å; R137-E141 VanDerWaalsContact O-N 3.07Å |
| 138 | E | 45.8 | Very low | 41.7 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -64.7 | -33.6 | -177.8 | -163.2 | 166.6 | -143.1 | 0 | 0 | 112.3 | S134 N142 | S134-E138 PolarHBondContact O-N 2.95Å; E138-N142 PolarHBondContact O-ND2 2.86Å |
| 139 | A | 44.5 | Very low | 42.2 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -66.5 | -33.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V135 R137 | V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 3.21Å; V135-A139 VanDerWaalsContact O-N 3.13Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.09Å |
| 140 | Q | 44.2 | Very low | 42.3 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.7 | -29 | -172.7 | -160.6 | 163.8 | 7.7 | 0 | 0 | 112.7 | L136 R137 Q143 | L136-Q140 WeakPolarHBondContact O-CB 3.43Å; R137-Q140 PolarHBondContact O-N 2.87Å; Q140-Q143 PolarHBondContact O-N 3.05Å |
| 141 | E | 44.7 | Very low | 42.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.2 | -37.5 | 175.8 | -161.5 | 154.7 | -136.7 | 0 | 0 | 112 | R137 Q143 N144 | R137-E141 PolarHBondContact O-N 2.79Å; R137-E141 VanDerWaalsContact O-N 3.07Å; E141-Q143 PolarHBondContact O-N 2.69Å; E141-N144 PolarHBondContact O-N 3.37Å |
| 142 | N | 46.2 | Very low | 41.7 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.5 | -26.1 | 173.8 | -83.3 | -70.6 | 0 | 0 | 0 | 113.8 | E138 | E138-N142 PolarHBondContact O-ND2 2.86Å |
| 143 | Q | 41.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 66% | 0.659 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.8 | -24.9 | -177.1 | -153.4 | 170.6 | 34.7 | 0 | 0 | 113.2 | Q140 E141 | Q140-Q143 PolarHBondContact O-N 3.05Å; E141-Q143 PolarHBondContact O-N 2.69Å |
| 144 | N | 42.7 | Very low | 40.7 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.9 | -36.1 | 176.3 | -100.5 | -6.6 | 0 | 0 | 0 | 112.9 | E141 Q146 Q147 | E141-N144 PolarHBondContact O-N 3.37Å; N144-Q146 VanDerWaalsContact C-N 3.27Å; N144-Q146 PolarHBondContact O-N 2.86Å; N144-Q147 PolarHBondContact O-N 2.82Å |
| 145 | N | 44.3 | Very low | 40.2 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 67% | 0.674 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.7 | -18.2 | -176.9 | -93.4 | -20.5 | 0 | 0 | 0 | 114.2 | ||
| 146 | Q | 42.1 | Very low | 39.3 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -12 | 177.6 | -68.3 | -169.5 | -6.8 | 0 | 0 | 114.3 | N144 | N144-Q146 VanDerWaalsContact C-N 3.27Å; N144-Q146 PolarHBondContact O-N 2.86Å |
| 147 | Q | 41.6 | Very low | 38.6 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -2.9 | -179.3 | -64.8 | -161.3 | -8.3 | 0 | 0 | 114.4 | N144 | N144-Q147 PolarHBondContact O-N 2.82Š|
| 148 | N | 39.4 | Very low | 37.9 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -113 | 22.2 | -168.1 | -142.8 | 5.6 | 0 | 0 | 0 | 114.6 | ||
| 149 | L | 41.2 | Very low | 37.2 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -129.1 | -5.7 | -173.5 | -94.4 | 165 | 0 | 0 | 0 | 116.2 | ||
| 150 | N | 35.8 | Very low | 36.6 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -116 | 48.9 | -177.1 | -85.5 | -21.3 | 0 | 0 | 0 | 112.8 | ||
| 151 | S | 31 | Very low | 35.7 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -145.7 | 61.1 | 178.5 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 152 | T | 30.9 | Very low | 35 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -150.5 | 123.8 | 163.2 | 5.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 153 | Q | 30.3 | Very low | 34.2 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 66.3 | 93.4 | 154.7 | -57.4 | -172.9 | 12.6 | 0 | 0 | 119.5 | ||||
| 154 | S | 30.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -58.3 | 153.4 | 147.4 | 53.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 155 | S | 29 | Very low | 33.2 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 178.3 | 148 | 123.4 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 156 | T | 29.7 | Very low | 32.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 60.5 | 154.7 | 159.9 | 50.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 157 | S | 29.2 | Very low | 32.3 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | cis | 176.9 | 169.1 | -43.5 | 49.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 158 | I | 31.4 | Very low | 31.8 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 72.3 | 134.2 | 159.6 | -70.3 | 160.8 | 0 | 0 | 0 | 115 | ||||
| 159 | T | 31 | Very low | 31.3 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | cis | -158.3 | 148.9 | -6.8 | 21.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 160 | E | 30.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | 51 | 148.7 | 138.2 | -61.1 | 178.2 | 125.3 | 0 | 0 | 124 | ||||
| 161 | G | 26.4 | Very low | 30.4 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | 166.9 | 48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 162 | Q | 29.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | trans | -55.8 | 150.5 | -177.6 | -52.6 | -179.4 | 0.5 | 0 | 0 | 112.9 | ||||
| 163 | M | 29.3 | Very low | 30.9 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 70% | 0.7 | 73% | 0.73 | S | S | * | * | -167 | 142.4 | 65.9 | -77.4 | -159.3 | -157.4 | 0 | 0 | 115.4 | |||||
| 164 | K | 32.5 | Very low | 30.8 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | 48.1 | 137.3 | 131.4 | -57.9 | 171.1 | -174.8 | 166.1 | 0 | 120.2 | ||||
| 165 | A | 32.2 | Very low | 30.8 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -164.7 | -149.7 | -12.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 166 | S | 32.2 | Very low | 30.7 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | cis | -173.8 | 147.3 | -5.4 | 32.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 167 | H | 34.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | cis | -153.7 | 162.9 | -11.7 | -133.1 | -77.9 | 0 | 0 | 0 | 109.4 | ||||
| 168 | T | 30.2 | Very low | 30.5 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | trans | -19.9 | 166.5 | 166.4 | 49.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 169 | Q | 29.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | cis | -149.4 | 179.7 | 33.6 | -100.8 | 96.8 | -29.4 | 0 | 0 | 111.7 | ||||
| 170 | S | 29.8 | Very low | 30 | Very low | 75 Ų | 75 | 133 Ų | 133 | 52% | 0.524 | 74% | 0.743 | S | S | . | * | cis | 173.6 | 144.6 | -48.1 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 171 | F | 27.7 | Very low | 29.7 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | 67.9 | 154.2 | 171.1 | -57.7 | -82.5 | 0 | 0 | 0 | 117.5 | ||||
| 172 | S | 25.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | -176 | -169.4 | -25.8 | -93.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 173 | P | 47.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | -136.4 | 166.6 | -65.2 | 42.2 | -26.4 | 0 | 0 | 0 | 116.5 | |||||
| 174 | A | 29.3 | Very low | 29.5 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 68.3 | 156.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 175 | Q | 29.6 | Very low | 29.2 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | 68.8 | 154 | 162.9 | -64.4 | -175.9 | 19.8 | 0 | 0 | 118.9 | ||||
| 176 | S | 27.1 | Very low | 29.4 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | cis | -168 | -174.2 | -27.7 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 177 | L | 28.1 | Very low | 29.2 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | 68.8 | 157.8 | 173.3 | -56.1 | 168.6 | 0 | 0 | 0 | 117.1 | ||||
| 178 | S | 26.4 | Very low | 29.3 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -167.2 | 165.2 | -41.3 | 56 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 179 | R | 26 | Very low | 29.3 | Very low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -46.4 | 159.1 | 165 | -58.6 | 162.2 | 179 | 171 | -2.9 | 111.9 | ||||
| 180 | S | 26.6 | Very low | 29.7 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | cis | -149.7 | 149.5 | 34.6 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 181 | V | 24.3 | Very low | 29.6 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 76.5 | 125.8 | 51.4 | 175.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 182 | S | 25.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 74.1 | 152.1 | 170.4 | -70.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 183 | Q | 29.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -160.1 | 139.4 | 7.7 | -134.6 | 162.7 | 10.6 | 0 | 0 | 114.3 | ||||
| 184 | T | 25.6 | Very low | 29 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 59.4 | 167.4 | 147.2 | 44.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 185 | Q | 27.2 | Very low | 29 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | cis | -143 | 171.5 | 7.5 | -145.5 | 163.5 | 21.6 | 0 | 0 | 113.2 | ||||
| 186 | S | 34.9 | Very low | 29 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -92 | 167.1 | -176.3 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 187 | Q | 29.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -158.4 | 159.6 | 130.2 | -115.5 | 176.4 | 32.3 | 0 | 0 | 113 | ||||
| 188 | F | 36.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -138.3 | 143.3 | 178.1 | -138.9 | -72.2 | 0 | 0 | 0 | 107.7 | ||||
| 189 | Q | 29.7 | Very low | 29.2 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 45% | 0.449 | 77% | 0.77 | S | S | . | * | trans | -163.3 | 141.7 | 153.5 | -124.1 | 164.5 | 109.2 | 0 | 0 | 111.5 | N369 Q370 | Q189-N369 WeakPolarHBondContact CG-OD1 3.36Å; Q189-Q370 HydrophobicContact CG-CG 4.43Å | ||
| 190 | S | 36.6 | Very low | 29.4 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -101.6 | 154.2 | 170.8 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 191 | L | 28.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -150.9 | 137.2 | 144.9 | -112.2 | 176.2 | 0 | 0 | 0 | 109.9 | ||||
| 192 | S | 33.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -82.1 | 149.9 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 193 | L | 27 | Very low | 30 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -140.1 | 160.7 | 149.5 | -111.9 | 173.5 | 0 | 0 | 0 | 110.8 | ||||
| 194 | S | 27.6 | Very low | 29.8 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 58% | 0.58 | 77% | 0.772 | S | S | * | * | trans | -111.6 | 166.5 | -158.5 | 57 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 195 | Q | 29.3 | Very low | 29.9 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 65.1 | 123 | 159.9 | -64.8 | 167.1 | -6.6 | 0 | 0 | 117.1 | ||||
| 196 | N | 29.2 | Very low | 29.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | -154.9 | 151.9 | 101.7 | -104.6 | -44.6 | 0 | 0 | 0 | 112.3 | |||||
| 197 | Q | 29.2 | Very low | 29.6 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -96.2 | 139.7 | 172.3 | -64.5 | 173.4 | -18.4 | 0 | 0 | 109.4 | ||||
| 198 | T | 29.9 | Very low | 29.5 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -147.6 | 87.7 | 159.5 | 4.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 199 | R | 26.7 | Very low | 29.1 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | 45.1 | 113.5 | 131.5 | -158.2 | 176.1 | -164.9 | 176 | 4.5 | 119.2 | ||||
| 200 | S | 30.8 | Very low | 29 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -80.4 | 145.3 | 156.2 | 179 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | V | 27.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | 177.8 | 121.1 | 154.4 | 152.4 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 202 | A | 27.8 | Very low | 28.5 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | cis | 92.7 | 102.9 | 40.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 203 | H | 33 | Very low | 28.3 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | 30.6 | 137.5 | 153.1 | -81.2 | -99.7 | 0 | 0 | 0 | 124.2 | ||||
| 204 | G | 25.1 | Very low | 28.3 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 141.1 | 98.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 205 | Q | 28.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | 92.9 | 157.6 | 56.8 | -162.9 | 175.3 | 21.5 | 0 | 0 | 112.6 | |||||
| 206 | I | 26.2 | Very low | 28.5 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 78.6 | 104.4 | -175.4 | -51 | 174.7 | 0 | 0 | 0 | 112 | ||||
| 207 | Q | 28.9 | Very low | 28.5 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 77.7 | 125.2 | 63.5 | -77.8 | -165.4 | -3.4 | 0 | 0 | 116.5 | |||||
| 208 | T | 27.9 | Very low | 29.3 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -162.5 | 156.1 | 143.5 | 5.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 209 | Q | 27.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -116.4 | 159.4 | -169.2 | -59.7 | 172.9 | -14.4 | 0 | 0 | 112.5 | ||||
| 210 | A | 27 | Very low | 29.7 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -162 | 126.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 211 | N | 27.4 | Very low | 29.7 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | 62.9 | 144 | 142.6 | -57.9 | -15.1 | 0 | 0 | 0 | 123.9 | ||||
| 212 | G | 27.9 | Very low | 29.8 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 129.8 | 58.8 | 153 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 213 | T | 29.4 | Very low | 29.9 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 59.3 | 89.5 | 97.7 | 65 | 0 | 0 | 0 | 0 | 120 | |||||
| 214 | S | 28.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 28.8 | 136.6 | 130.7 | 56.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 215 | K | 29.7 | Very low | 30.1 | Very low | 194 Ų | 194 | 131.1 Ų | 131.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | 179.6 | 147 | 116.8 | -103.4 | 175.2 | -178.1 | 179.5 | 0 | 117.5 | |||||
| 216 | S | 30.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 65.3 | 147.3 | 147.2 | 53 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 217 | S | 29.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -78.4 | 176.5 | 177.6 | -33.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 218 | P | 46.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | -145.2 | 149.3 | 75.9 | 39.5 | -21.7 | 0 | 0 | 0 | 118.5 | |||||
| 219 | S | 30.9 | Very low | 31.4 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 36.1 | 129.8 | 147.2 | 60.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 220 | S | 33.1 | Very low | 31.6 | Very low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 65.9 | 143.3 | 146.5 | 49.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 221 | S | 31.2 | Very low | 31.8 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -155.2 | 152.7 | 6.2 | 47.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 222 | S | 29.7 | Very low | 32 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 50.6 | 145 | 143.9 | 61.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 223 | L | 29.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | cis | -164.8 | 156.8 | -10 | -106.6 | 169.5 | 0 | 0 | 0 | 108.1 | ||||
| 224 | N | 28.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 54.2 | 105.4 | 152.9 | -61.6 | -7.1 | 0 | 0 | 0 | 121.3 | ||||
| 225 | S | 34.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | -72.1 | 170.3 | 123 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 226 | P | 45.6 | Very low | 33.8 | Very low | 100 Ų | 100 | 111.3 Ų | 111.3 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | -158.8 | 167.9 | 85.2 | 41.3 | -21 | 0 | 0 | 0 | 117.7 | |||||
| 227 | T | 30.8 | Very low | 34.8 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | 57.6 | 150.9 | 141.4 | 50.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 228 | S | 31.7 | Very low | 34.9 | Very low | 87 Ų | 87 | 116 Ų | 116 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | -175.4 | 165.1 | -13.3 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 229 | T | 30.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 115 Ų | 115 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 58.5 | 147.6 | 150.2 | 45.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 230 | S | 31.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -160.5 | 139.7 | 11.5 | 25.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 231 | A | 32.6 | Very low | 34 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | 85.3 | 153.4 | 66.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 232 | S | 30.8 | Very low | 33.9 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 70.6 | 140.4 | -169.1 | 82.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 233 | S | 30 | Very low | 33.8 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | 135.4 | 152.6 | 7.5 | 66.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 234 | A | 29.3 | Very low | 33.7 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | cis | -146.5 | -154.6 | 14.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 235 | A | 31.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -108.5 | 176.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 236 | P | 63 | Low | 35.2 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -95.4 | -174.7 | -164.3 | 40.4 | -38.1 | 0 | 0 | 0 | 114.8 | ||||
| 237 | P | 51.1 | Low | 35.3 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | -142.2 | -153.1 | 124.4 | 40.8 | -26.5 | 0 | 0 | 0 | 115.6 | |||||
| 238 | F | 31.8 | Very low | 35.4 | Very low | 198 Ų | 198 | 120.9 Ų | 120.9 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -112.4 | 175.2 | -149.7 | -95.2 | -106 | 0 | 0 | 0 | 117.3 | ||||
| 239 | S | 29.9 | Very low | 35.3 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | 80.1 | 104.7 | 136.9 | 54.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 240 | S | 30.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 44.3 | 128.1 | 122.2 | 65.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 241 | S | 30 | Very low | 35.1 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 165.3 | 171 | 133.9 | 44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 242 | T | 28.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -170.3 | 159.5 | -39.1 | -76.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 243 | S | 27.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 74.7 | 157.8 | 166.2 | 83.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 244 | L | 29.3 | Very low | 35.3 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | cis | -158.8 | 176.7 | -19 | -114.6 | 171 | 0 | 0 | 0 | 110.7 | ||||
| 245 | F | 28.4 | Very low | 36.7 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -83.3 | -166.4 | 176.5 | -73.8 | -95.9 | 0 | 0 | 0 | 113.1 | ||||
| 246 | P | 65.7 | Low | 36.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -117.2 | -162.2 | -88.6 | 40.2 | -21 | 0 | 0 | 0 | 111.2 | |||||
| 247 | P | 46.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -153 | -171.8 | 83 | 41.1 | -20.8 | 0 | 0 | 0 | 115.2 | |||||
| 248 | S | 33.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -116.3 | 154 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 249 | T | 28.9 | Very low | 34 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 175.7 | 158.5 | 6.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 250 | S | 29.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -131 | 159.1 | -157.1 | 58.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 251 | S | 29.8 | Very low | 34.2 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 74.9 | 139.6 | 143.7 | 59.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 252 | S | 31.2 | Very low | 34.3 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 77.2 | 145.6 | 152.4 | 72.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 253 | S | 33.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | cis | -175.2 | 147 | -18.7 | 53 | 0 | 0 | 0 | 0 | 115 | ||||
| 254 | L | 32.7 | Very low | 34.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 65.9 | 178.4 | 141.8 | -72.4 | 171.1 | 0 | 0 | 0 | 118.3 | ||||
| 255 | P | 58.8 | Low | 34.6 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -136.3 | -176.8 | 3.7 | 43.6 | -26.7 | 0 | 0 | 0 | 118.6 | ||||
| 256 | R | 27 | Very low | 35.1 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | 115.6 | 108.2 | 147 | -164 | 175 | -174.6 | 170.6 | 0.5 | 116 | ||||
| 257 | A | 34.6 | Very low | 34 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | 96 | 112.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 258 | T | 31 | Very low | 33.4 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 172.2 | 142.8 | 152.3 | 30.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 259 | M | 28.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | cis | -146.5 | 140.7 | -3.9 | -82.4 | -132.3 | -171.6 | 0 | 0 | 108.2 | ||||
| 260 | R | 32.2 | Very low | 33.9 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | 53.9 | 140.4 | 92.3 | -80.1 | -170.7 | 175.7 | -166.6 | -0.8 | 116.3 | |||||
| 261 | S | 31.4 | Very low | 34 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | cis | -164.6 | 170.6 | 1.7 | 34.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 262 | T | 32.2 | Very low | 35 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -85.1 | 148.3 | -167.8 | -34.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 263 | I | 31.5 | Very low | 35.2 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -138.3 | 167.9 | 154.4 | -67.2 | -170 | 0 | 0 | 0 | 109.8 | ||||
| 264 | T | 30.6 | Very low | 35.4 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -105 | 165.2 | -151.7 | 2.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 265 | L | 30 | Very low | 35.5 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 79.6 | 156.6 | 152 | -72.5 | 165.8 | 0 | 0 | 0 | 121 | ||||
| 266 | T | 38 | Very low | 34 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -103.7 | 162.2 | -172.4 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 267 | P | 42.4 | Very low | 34.2 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -141.6 | 169.6 | 125.2 | 38.4 | -26.3 | 0 | 0 | 0 | 114.7 | |||||
| 268 | T | 34.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -101.9 | 158 | 175.7 | 47 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 269 | P | 42.2 | Very low | 33.7 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -80.7 | 164.1 | 164.3 | 34.2 | -33.6 | 0 | 0 | 0 | 112 | ||||
| 270 | R | 30 | Very low | 33.8 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -134.1 | 149.9 | -164.3 | -156.8 | -174.4 | -159.7 | -177.4 | 6.6 | 111.9 | ||||
| 271 | V | 32.9 | Very low | 33.7 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -100 | 142.2 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 272 | P | 49.4 | Very low | 33.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -79.8 | 173.5 | -175.6 | 32 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 273 | S | 35.4 | Very low | 34.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -155.8 | 144.8 | -159.9 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 274 | A | 37 | Very low | 34.7 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -178.9 | 154.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | S | 35.3 | Very low | 34.5 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | cis | -175.5 | 149.7 | -19.3 | 53 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 276 | G | 27.5 | Very low | 34.5 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 131.9 | 112.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 277 | L | 30.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 100% | 0.995 | 81% | 0.814 | S | S | * | * | 64 | 116.7 | 69.5 | -59.9 | 171.6 | 0 | 0 | 0 | 112.5 | |||||
| 278 | G | 28.2 | Very low | 33.5 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | cis | -163.1 | -160.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 279 | S | 28.5 | Very low | 33.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | cis | -166.9 | -172.6 | -4.8 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 280 | A | 30.3 | Very low | 32.7 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -7 | 155.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 281 | S | 29.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | cis | -178.2 | 140.8 | -4.1 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 282 | L | 34.1 | Very low | 32.8 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | 72.2 | 176.5 | 142 | -58.4 | 171 | 0 | 0 | 0 | 119.3 | ||||
| 283 | P | 52.7 | Low | 32.2 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -144.4 | 170.7 | -103 | 39 | -14.9 | 0 | 0 | 0 | 119.2 | |||||
| 284 | A | 29.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 119 Ų | 119 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 177.8 | 158.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 285 | N | 28 | Very low | 32.2 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | cis | -146.2 | 177.8 | -8.5 | -145.7 | 7.2 | 0 | 0 | 0 | 110 | ||||
| 286 | Q | 29.9 | Very low | 32.1 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 150.7 | 174.2 | -64.3 | 171.1 | -28.8 | 0 | 0 | 112.3 | ||||
| 287 | D | 28.6 | Very low | 32.2 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 170 | 142.1 | 109.9 | -93.5 | -34.5 | 0 | 0 | 0 | 117.9 | |||||
| 288 | T | 31 | Very low | 32.5 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 54.2 | 120.9 | 151.2 | 58.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 289 | L | 29.9 | Very low | 32.6 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | 46.6 | 126.5 | 127.5 | -52.5 | 172.1 | 0 | 0 | 0 | 120.3 | |||||
| 290 | S | 29.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | 75.7 | 100.6 | 40.1 | -165.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 291 | A | 30.3 | Very low | 33.4 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -171.8 | 173.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 292 | S | 34.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -156.8 | 172 | -179.6 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 293 | A | 36.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 74 | 156.3 | 172 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 294 | A | 38.3 | Very low | 32.1 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | cis | -172.9 | -172 | -21.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 295 | Y | 34.9 | Very low | 32.1 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | 73.4 | 162.6 | 165.5 | -74.8 | -77.1 | 0 | 0 | 0 | 117.9 | ||||
| 296 | L | 32.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | cis | -145.4 | -173.9 | 10.8 | -134.7 | 175.1 | 0 | 0 | 0 | 111.5 | ||||
| 297 | C | 28.6 | Very low | 32.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 72% | 0.716 | 77% | 0.773 | S | S | * | * | trans | -128.6 | 169.1 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 298 | S | 36.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 124.9 | 166.2 | 129.2 | 74.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 299 | V | 31.3 | Very low | 32.4 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 96.6 | 138.8 | 166.5 | -168.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 300 | L | 33 | Very low | 33.3 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -133.2 | 156.9 | 178.2 | -97.8 | 173.5 | 0 | 0 | 0 | 106.6 | ||||
| 301 | P | 43.4 | Very low | 33.4 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | -162.3 | 169.4 | 82.9 | 43.1 | -21.5 | 0 | 0 | 0 | 120.3 | |||||
| 302 | S | 31.3 | Very low | 33.5 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | 57.9 | 113.3 | 137.7 | 66.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 303 | S | 29.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 51 | 133.1 | 127.5 | 67.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 304 | F | 27.6 | Very low | 33.3 | Very low | 215 Ų | 215 | 130.1 Ų | 130.1 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | -154 | 174.2 | 124.6 | -122.1 | -82.2 | 0 | 0 | 0 | 111.3 | |||||
| 305 | S | 28.2 | Very low | 34 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -140.1 | 143.3 | -168.2 | -173.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 306 | S | 30.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | 80.3 | 149 | 149.1 | 83.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 307 | K | 30.9 | Very low | 35.2 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | 92.6 | 127.4 | 137.8 | -87.1 | 171.7 | -179.2 | 179.1 | 0 | 122.4 | ||||
| 308 | L | 29.8 | Very low | 35.4 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 95.6 | 127.4 | 140.3 | -69.4 | 162.6 | 0 | 0 | 0 | 121.4 | ||||
| 309 | S | 31.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -94.4 | -171.2 | 162.8 | 58.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 310 | P | 50.8 | Low | 35.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -147.2 | -175.7 | 21.7 | 43.5 | -22 | 0 | 0 | 0 | 118.5 | ||||
| 311 | S | 30.4 | Very low | 36.4 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 66.5 | 154.5 | 150.8 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 312 | S | 32.5 | Very low | 36 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | cis | -176.4 | 132.3 | -27.7 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 313 | S | 30.9 | Very low | 35.9 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -172.9 | 160 | 154.8 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 314 | I | 37.5 | Very low | 36.1 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -137.9 | 138.9 | -175.2 | -75 | 173.7 | 0 | 0 | 0 | 105 | ||||
| 315 | P | 51.1 | Low | 37.4 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | -153.8 | 176.5 | 71.7 | 40.1 | -17.4 | 0 | 0 | 0 | 119.9 | |||||
| 316 | H | 39.4 | Very low | 37.6 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -80.9 | -174.5 | 164.8 | -78.1 | -63.9 | 0 | 0 | 0 | 111.6 | ||||
| 317 | P | 54.3 | Low | 37.7 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -148.3 | 174.4 | 16.8 | 43.2 | -22.4 | 0 | 0 | 0 | 120.7 | ||||
| 318 | S | 33.5 | Very low | 38.7 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 64.1 | 157.9 | 150.4 | 60.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 319 | T | 30.7 | Very low | 39 | Very low | 133 Ų | 133 | 119 Ų | 119 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | cis | -153.3 | 178 | 14.6 | -24.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 320 | S | 35.4 | Very low | 39.2 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -88.1 | -170.1 | 173.5 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 321 | P | 54 | Low | 39.4 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -153 | 171 | 16.6 | 46.1 | -24.2 | 0 | 0 | 0 | 122.1 | ||||
| 322 | S | 35.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 55.3 | 141.4 | 136 | 69.4 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 323 | C | 29 | Very low | 39.6 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | 103.8 | 150.4 | 141.7 | -74.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 324 | S | 33.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -105.8 | -164.6 | -172.5 | -28.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 325 | P | 54.5 | Low | 40.3 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -154.8 | -173.5 | 27.7 | 46.5 | -23.7 | 0 | 0 | 0 | 120.8 | ||||
| 326 | L | 32.3 | Very low | 39.3 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | 75.3 | 167.5 | 147.4 | -79 | 160.7 | 0 | 0 | 0 | 124.3 | ||||
| 327 | A | 32.7 | Very low | 38.8 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -138.2 | 178.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 328 | P | 53.7 | Low | 37.6 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -162.8 | 156.7 | 116 | 41.9 | -21.7 | 0 | 0 | 0 | 122 | |||||
| 329 | S | 35.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 50.2 | 123.9 | 136.7 | 70.6 | 0 | 0 | 0 | 0 | 128.9 | ||||
| 330 | S | 36.1 | Very low | 37.2 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | 53.9 | 147.5 | 118 | -44.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 331 | P | 55.1 | Low | 36.9 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | -145 | -163.4 | 82.6 | 39.4 | -19.5 | 0 | 0 | 0 | 116.5 | |||||
| 332 | L | 33.4 | Very low | 35.6 | Very low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -131.5 | -170.9 | -159.2 | -54.8 | 175.8 | 0 | 0 | 0 | 113.2 | ||||
| 333 | L | 33.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | -161.8 | -56.7 | 16.5 | -149.6 | 160.9 | 0 | 0 | 0 | 119.5 | ||||
| 334 | P | 53.1 | Low | 35.4 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | -109.6 | 138.8 | -119.2 | 37.9 | -38.6 | 0 | 0 | 0 | 123.2 | |||||
| 335 | M | 30.2 | Very low | 35.6 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | 85.4 | 130.4 | 128 | -75.2 | -69.9 | 148.4 | 0 | 0 | 126.6 | |||||
| 336 | R | 29 | Very low | 34.5 | Very low | 210 Ų | 210 | 129.1 Ų | 129.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 109.2 | 99.1 | 130.4 | -98.5 | -179.8 | 171.8 | -105.5 | 2.3 | 124 | ||||
| 337 | T | 29.4 | Very low | 34.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | 66.7 | 111.9 | 125.7 | 52.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 338 | S | 29.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 76.1 | 120.5 | 124.4 | 67.6 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 339 | A | 28.5 | Very low | 34 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 65 | 141.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 340 | S | 27.5 | Very low | 34 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -163.7 | -176 | -9.8 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 341 | T | 27.6 | Very low | 33.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | 86.7 | 125.5 | 168.6 | 67.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 342 | S | 27.1 | Very low | 32.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 135.4 | 142.3 | 54 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 343 | S | 28.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 110.1 | 155.8 | 61.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 344 | L | 32.5 | Very low | 33.1 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -175.4 | 172.1 | 120.1 | -93.6 | 165.9 | 0 | 0 | 0 | 108.6 | |||||
| 345 | P | 38.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -89.3 | 167 | -143 | 35.1 | -38.9 | 0 | 0 | 0 | 116.9 | ||||
| 346 | Q | 29.8 | Very low | 33 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -86 | 132.4 | -178.2 | -63.7 | 174.3 | -15 | 0 | 0 | 113.6 | ||||
| 347 | Q | 42.2 | Very low | 33.1 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | -139.2 | 129.8 | 128.9 | -75.1 | -164.8 | -1.9 | 0 | 0 | 107.8 | |||||
| 348 | P | 38.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 151.2 | 132.7 | 34.6 | -17.4 | 0 | 0 | 0 | 115.9 | ||||
| 349 | L | 29.7 | Very low | 33.7 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 63 | 135.9 | 148.2 | -64.7 | 165.2 | 0 | 0 | 0 | 121.1 | ||||
| 350 | P | 34.9 | Very low | 33.8 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -96.4 | 145 | 155.7 | 36.2 | -29.4 | 0 | 0 | 0 | 112.1 | ||||
| 351 | V | 30.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -139.7 | 144.3 | 167.9 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 352 | S | 34.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -72 | 173.9 | -170.8 | -27.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 353 | P | 45.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -123.3 | -162.5 | 49.6 | 29.6 | -6.1 | 0 | 0 | 0 | 112.1 | ||||
| 354 | S | 28.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -154.5 | 160.7 | 17.9 | -52.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 355 | L | 33.5 | Very low | 35.1 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 167.4 | 156.8 | -95.1 | 172 | 0 | 0 | 0 | 106.5 | ||||
| 356 | P | 46.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | cis | -141 | -175.6 | 36.2 | 37.3 | -14.3 | 0 | 0 | 0 | 115 | ||||
| 357 | H | 32 | Very low | 34.6 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | cis | -156.1 | 170.3 | -17.3 | -113.3 | -33.4 | 0 | 0 | 0 | 111.3 | ||||
| 358 | C | 32.3 | Very low | 34 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -85.1 | -172.3 | 165.6 | -47.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 359 | P | 38.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -125.8 | 151.9 | 57.3 | 13.2 | 11.2 | 0 | 0 | 0 | 112.8 | |||||
| 360 | S | 30.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | cis | 95 | 143.8 | 35.6 | 86.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 361 | S | 40.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -99.3 | 172.7 | -163.1 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 362 | S | 30.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -154.2 | 164.2 | 163.1 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 363 | S | 31.9 | Very low | 33 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -138.7 | 173.6 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 364 | L | 32 | Very low | 32.3 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -67.7 | 159 | -167.8 | -65.2 | 162.9 | 0 | 0 | 0 | 114.9 | ||||
| 365 | P | 36.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | -144.9 | -174.2 | 100.7 | 37.9 | -21.6 | 0 | 0 | 0 | 115.7 | |||||
| 366 | Q | 30.1 | Very low | 33.2 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -108.2 | 159.3 | -175.9 | -55.8 | 173.9 | -47.1 | 0 | 0 | 113.5 | ||||
| 367 | M | 27.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 84% | 0.837 | 75% | 0.754 | S | S | * | * | 164.3 | 153.8 | 107.1 | -90.6 | -132.6 | 172.1 | 0 | 0 | 117.1 | |||||
| 368 | N | 29.4 | Very low | 32 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 86.4 | 164.9 | 149.6 | -139.6 | 3.2 | 0 | 0 | 0 | 121.8 | ||||
| 369 | N | 28.5 | Very low | 31.8 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 40% | 0.396 | 76% | 0.757 | S | S | . | * | trans | -114.4 | -163.8 | -170.9 | -49.1 | -92.5 | 0 | 0 | 0 | 109.5 | Q189 | Q189-N369 WeakPolarHBondContact CG-OD1 3.36Š| ||
| 370 | Q | 30 | Very low | 31.3 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | cis | -159.2 | -175.5 | 7.1 | -140 | 135.8 | 9.2 | 0 | 0 | 106.9 | Q189 | Q189-Q370 HydrophobicContact CG-CG 4.43Š| ||
| 371 | S | 32.6 | Very low | 31.8 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | -144 | -99.3 | 8.2 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 372 | R | 27.8 | Very low | 31.3 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -171.2 | 150.5 | -170.1 | -175.9 | -177.7 | -179 | -168.1 | 1.5 | 111.2 | ||||
| 373 | V | 28.1 | Very low | 31.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | 158.6 | 142.8 | 134.6 | 160.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 374 | Q | 29.8 | Very low | 31 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -131.3 | 171.6 | 174.7 | -84.6 | -103.8 | 5.5 | 0 | 0 | 106.3 | ||||
| 375 | P | 55.6 | Low | 30.9 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | cis | -143.8 | -158.3 | 20 | 44.5 | -24.3 | 0 | 0 | 0 | 114.1 | ||||
| 376 | T | 25 | Very low | 30.6 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | 177.3 | 109.4 | 125.3 | -68 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 377 | V | 27.5 | Very low | 30.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | 59.5 | 131.1 | 84.3 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 378 | V | 26.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | cis | -131.9 | -139.1 | 48.9 | -150.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 379 | S | 28.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -173.4 | -164.5 | -165.3 | -76 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 380 | L | 29.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 104.1 | 150.7 | 165.4 | -58.4 | -178.7 | 0 | 0 | 0 | 117.2 | ||||
| 381 | P | 39.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -141.7 | 149.6 | -26.6 | 34.3 | -15 | 0 | 0 | 0 | 118.6 | ||||
| 382 | A | 30.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | 57.5 | 133.4 | 133 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 383 | G | 30.3 | Very low | 33.4 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 111.9 | 137.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 384 | Y | 26.5 | Very low | 33.8 | Very low | 217 Ų | 217 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | cis | -164.2 | 154.7 | -2.7 | -139.5 | -68.4 | 0 | 0 | 0 | 110.5 | ||||
| 385 | K | 29.8 | Very low | 33.8 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | 73 | 135 | 166.7 | -52.2 | -175 | -178.8 | 177.8 | 0 | 118.7 | ||||
| 386 | G | 30.2 | Very low | 32.8 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 140.4 | 97.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 387 | T | 31.7 | Very low | 33.2 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 163.7 | 166.1 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 388 | P | 43.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | cis | -125.1 | -155.9 | 0.5 | 42.1 | -26.2 | 0 | 0 | 0 | 113.4 | ||||
| 389 | N | 30.7 | Very low | 33.8 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 94.8 | 101.9 | 165 | -67.1 | -7.4 | 0 | 0 | 0 | 120.4 | ||||
| 390 | T | 35.5 | Very low | 34 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | 33.9 | 110.4 | 122.5 | 16.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 391 | L | 41 | Very low | 34.3 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 32.7 | 102 | 142.3 | -71 | 170.8 | 0 | 0 | 0 | 119.3 | ||||
| 392 | P | 39.3 | Very low | 34.5 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -110.9 | 157.8 | 150.3 | 1.5 | 20 | 0 | 0 | 0 | 113.7 | ||||
| 393 | K | 42.3 | Very low | 34.9 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 174 | 167.2 | -52 | 162.8 | -172.5 | 171.9 | 0 | 110.2 | I395 | K393-I395 HydrophobicContact CB-CG1 4.39Å; K393-I395 HydrophobicContact CD-CD1 3.88Å; K393-I395 HydrophobicContact CD-CG1 4.42Å | ||
| 394 | P | 36.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -118 | 162.1 | 133.2 | 34.5 | -31 | 0 | 0 | 0 | 113.2 | ||||
| 395 | I | 30 | Very low | 35.8 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -146.9 | 136.8 | -163.8 | -84.3 | 177.9 | 0 | 0 | 0 | 109.8 | K393 | K393-I395 HydrophobicContact CB-CG1 4.39Å; K393-I395 HydrophobicContact CD-CD1 3.88Å; K393-I395 HydrophobicContact CD-CG1 4.42Å | ||
| 396 | L | 34.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 52.3 | 140.4 | 159.5 | -71.1 | 166.3 | 0 | 0 | 0 | 121.1 | ||||
| 397 | K | 33 | Very low | 37 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | -179.6 | 145.7 | 116 | -95.4 | 151.1 | -168.6 | 172.7 | 0 | 110.2 | |||||
| 398 | K | 35.6 | Very low | 38 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | cis | -161.8 | 166.3 | -9.4 | -151.2 | -174 | 178.2 | -172.5 | 0 | 110.7 | ||||
| 399 | S | 30.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 75 | 151.4 | 161 | -52.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 400 | V | 32.8 | Very low | 38.9 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | cis | -142 | -177.8 | -6.3 | 80.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 401 | A | 34.7 | Very low | 39.6 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | trans | -136.2 | 167.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 402 | P | 45.2 | Very low | 40.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -134.7 | 170 | 97.7 | 38.7 | -29.7 | 0 | 0 | 0 | 114.9 | |||||
| 403 | R | 37.9 | Very low | 41 | Very low | 237 Ų | 237 | 138.9 Ų | 138.9 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | trans | -94.5 | 156.4 | 169 | -63.3 | -179.9 | 171.9 | -170.4 | -3.6 | 110 | ||||
| 404 | P | 44.2 | Very low | 41.6 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | -134.5 | 179.5 | 88.8 | 39.1 | -27.8 | 0 | 0 | 0 | 111.5 | |||||
| 405 | S | 31.6 | Very low | 42.5 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | cis | -152.4 | 176.6 | -15.8 | 34.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 406 | S | 46.6 | Very low | 44 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -72.8 | 133.4 | -179.1 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 407 | S | 39.4 | Very low | 45.3 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | trans | -128 | 156 | 142 | 65.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 408 | R | 52.4 | Low | 47 | Very low | 241 Ų | 241 | 121.3 Ų | 121.3 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | trans | -121 | 85.1 | -168.1 | -177.6 | -176.3 | -174.5 | 176.3 | 0.9 | 108.4 | ||||
| 409 | S | 40.9 | Very low | 48.7 | Very low | 87 Ų | 87 | 116 Ų | 116 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | trans | -62.1 | 142.2 | 169.6 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 410 | T | 52.3 | Low | 50.7 | Low | 84 Ų | 84 | 113.7 Ų | 113.7 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | trans | -84.7 | 158 | -173.9 | 27.4 | 0 | 0 | 0 | 0 | 111.6 | E412 D413 | T410-E412 PolarHBondContact O-N 3Å; T410-E412 VanDerWaalsContact O-N 3.15Å; T410-D413 PolarHBondContact N-OD2 3.24Å; T410-D413 WeakPolarHBondContact O-CB 3.35Å; T410-D413 PolarHBondContact O-N 2.75Å; T410-D413 PolarHBondContact OG1-OD2 2.83Å | ||
| 411 | D | 51.3 | Low | 52.9 | Low | 137 Ų | 137 | 112 Ų | 112 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -25.9 | 177.5 | -72.4 | -73.8 | 0 | 0 | 0 | 112.7 | D413 I414 Q415 | D411-D413 VanDerWaalsContact C-N 3.3Å; D411-D413 PolarHBondContact O-N 3.07Å; D411-I414 PolarHBondContact O-N 3.07Å; D411-I414 VanDerWaalsContact O-N 3.14Å; D411-Q415 WeakPolarHBondContact O-CB 3.31Å; D411-Q415 PolarHBondContact O-N 3.2Å |
| 412 | E | 54.5 | Low | 55.1 | Low | 156 Ų | 156 | 112.3 Ų | 112.3 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -50 | -44.9 | 167.7 | -64.8 | -67.2 | 125.8 | 0 | 0 | 112.8 | T410 I414 Q415 G416 | T410-E412 PolarHBondContact O-N 3Å; T410-E412 VanDerWaalsContact O-N 3.15Å; E412-I414 VanDerWaalsContact C-N 3.3Å; E412-I414 PolarHBondContact O-N 2.85Å; E412-Q415 PolarHBondContact O-N 3.49Å; E412-G416 PolarHBondContact O-N 3.34Å |
| 413 | D | 53.9 | Low | 56.7 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 49% | 0.492 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.8 | -34.2 | -178.9 | -58.7 | -66.8 | 0 | 0 | 0 | 111.5 | T410 D411 S417 | T410-D413 PolarHBondContact N-OD2 3.24Å; T410-D413 WeakPolarHBondContact O-CB 3.35Å; T410-D413 PolarHBondContact O-N 2.75Å; T410-D413 PolarHBondContact OG1-OD2 2.83Å; D411-D413 VanDerWaalsContact C-N 3.3Å; D411-D413 PolarHBondContact O-N 3.07Å; D413-S417 VanDerWaalsContact O-CB 3.31Å; D413-S417 WeakPolarHBondContact O-CB 3.28Å; D413-S417 PolarHBondContact O-N 2.86Å |
| 414 | I | 56.1 | Low | 58.9 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.9 | -37.6 | 178.7 | -57.8 | 177.3 | 0 | 0 | 0 | 110.2 | D411 E412 K418 | D411-I414 PolarHBondContact O-N 3.07Å; D411-I414 VanDerWaalsContact O-N 3.14Å; E412-I414 VanDerWaalsContact C-N 3.3Å; E412-I414 PolarHBondContact O-N 2.85Å; I414-K418 PolarHBondContact O-N 2.94Å; I414-K418 VanDerWaalsContact O-N 3.13Å |
| 415 | Q | 55.2 | Low | 60.7 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.8 | -45.2 | 179.5 | -172.4 | 52.9 | 37.8 | 0 | 0 | 111.6 | D411 E412 S417 K418 D419 | D411-Q415 WeakPolarHBondContact O-CB 3.31Å; D411-Q415 PolarHBondContact O-N 3.2Å; E412-Q415 PolarHBondContact O-N 3.49Å; Q415-S417 PolarHBondContact O-N 3.46Å; Q415-K418 WeakPolarHBondContact O-CB 3.43Å; Q415-K418 PolarHBondContact O-N 2.9Å; Q415-D419 PolarHBondContact NE2-OD1 3.48Å; Q415-D419 PolarHBondContact NE2-OD2 3.42Å; Q415-D419 PolarHBondContact O-N 3.3Å |
| 416 | G | 61.8 | Low | 63.2 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 44% | 0.443 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.2 | -35.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | E412 D419 A420 | E412-G416 PolarHBondContact O-N 3.34Å; G416-D419 PolarHBondContact O-N 2.88Å; G416-A420 VanDerWaalsContact O-CB 3.3Å; G416-A420 WeakPolarHBondContact O-CB 3.45Å; G416-A420 PolarHBondContact O-N 2.95Å |
| 417 | S | 62.2 | Low | 65 | Low | 82 Ų | 82 | 103.3 Ų | 103.3 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 173 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | D413 Q415 L421 | D413-S417 VanDerWaalsContact O-CB 3.31Å; D413-S417 WeakPolarHBondContact O-CB 3.28Å; D413-S417 PolarHBondContact O-N 2.86Å; Q415-S417 PolarHBondContact O-N 3.46Å; S417-L421 WeakPolarHBondContact O-CB 3.45Å; S417-L421 PolarHBondContact O-N 2.86Å; S417-L421 VanDerWaalsContact O-N 3.14Å |
| 418 | K | 67.3 | Low | 67 | Low | 113 Ų | 113 | 103.4 Ų | 103.4 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 172 | -75.3 | 171.5 | 179.6 | 168.4 | 0 | 112.1 | I414 Q415 A420 L421 I422 | I414-K418 PolarHBondContact O-N 2.94Å; I414-K418 VanDerWaalsContact O-N 3.13Å; Q415-K418 WeakPolarHBondContact O-CB 3.43Å; Q415-K418 PolarHBondContact O-N 2.9Å; K418-A420 VanDerWaalsContact C-N 3.35Å; K418-A420 PolarHBondContact O-N 2.79Å; K418-L421 CarbonylContact O-C 3.5Å; K418-L421 WeakPolarHBondContact O-CA 3.45Å; K418-L421 WeakPolarHBondContact O-CB 3.27Å; K418-L421 PolarHBondContact O-N 2.79Å; K418-L421 VanDerWaalsContact O-N 3.1Å; K418-I422 WeakPolarHBondContact O-CG1 3.41Å; K418-I422 PolarHBondContact O-N 2.8Å |
| 419 | D | 72.7 | Confident | 68.2 | Low | 67 Ų | 67 | 96.8 Ų | 96.8 | 36% | 0.358 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.3 | -33.1 | -174.6 | -65.5 | -32.5 | 0 | 0 | 0 | 111.5 | Q415 G416 I422 Q423 | Q415-D419 PolarHBondContact NE2-OD1 3.48Å; Q415-D419 PolarHBondContact NE2-OD2 3.42Å; Q415-D419 PolarHBondContact O-N 3.3Å; G416-D419 PolarHBondContact O-N 2.88Å; D419-I422 PolarHBondContact O-N 3.03Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.79Å |
| 420 | A | 71.5 | Confident | 69.6 | Low | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G416 K418 Q423 D424 | G416-A420 VanDerWaalsContact O-CB 3.3Å; G416-A420 WeakPolarHBondContact O-CB 3.45Å; G416-A420 PolarHBondContact O-N 2.95Å; K418-A420 VanDerWaalsContact C-N 3.35Å; K418-A420 PolarHBondContact O-N 2.79Å; A420-Q423 PolarHBondContact O-N 2.96Å; A420-D424 WeakPolarHBondContact O-CB 3.26Å; A420-D424 PolarHBondContact O-N 2.8Å |
| 421 | L | 79.2 | Confident | 70.5 | Confident | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -37.8 | 176.4 | -170.9 | 70.2 | 0 | 0 | 0 | 112.1 | S417 K418 D424 L425 | S417-L421 WeakPolarHBondContact O-CB 3.45Å; S417-L421 PolarHBondContact O-N 2.86Å; S417-L421 VanDerWaalsContact O-N 3.14Å; K418-L421 CarbonylContact O-C 3.5Å; K418-L421 WeakPolarHBondContact O-CA 3.45Å; K418-L421 WeakPolarHBondContact O-CB 3.27Å; K418-L421 PolarHBondContact O-N 2.79Å; K418-L421 VanDerWaalsContact O-N 3.1Å; L421-D424 PolarHBondContact O-N 2.87Å; L421-L425 HydrophobicContact CG-CD1 4.26Å; L421-L425 WeakPolarHBondContact O-CB 3.44Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.09Å |
| 422 | I | 80.1 | Confident | 71.4 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 43% | 0.426 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 174.3 | -69.7 | 163.5 | 0 | 0 | 0 | 109.9 | K418 D419 D424 L425 E426 | K418-I422 WeakPolarHBondContact O-CG1 3.41Å; K418-I422 PolarHBondContact O-N 2.8Å; D419-I422 PolarHBondContact O-N 3.03Å; I422-D424 VanDerWaalsContact C-N 3.34Å; I422-D424 PolarHBondContact O-N 2.68Å; I422-L425 PolarHBondContact O-N 2.98Å; I422-E426 HydrophobicContact CG2-CG 4.46Å; I422-E426 WeakPolarHBondContact O-CG 3.05Å; I422-E426 PolarHBondContact O-N 3.28Å |
| 423 | Q | 79.6 | Confident | 72.1 | Confident | 136 Ų | 136 | 94.4 Ų | 94.4 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 176.8 | -74.6 | -173 | 19.2 | 0 | 0 | 112.9 | D419 A420 K427 | D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.79Å; A420-Q423 PolarHBondContact O-N 2.96Å; Q423-K427 WeakPolarHBondContact O-CB 3.41Å; Q423-K427 PolarHBondContact O-N 2.87Å |
| 424 | D | 84.9 | Confident | 72.6 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 31% | 0.31 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 174.7 | 174 | 60.2 | 0 | 0 | 0 | 112.3 | A420 L421 I422 K427 K428 | A420-D424 WeakPolarHBondContact O-CB 3.26Å; A420-D424 PolarHBondContact O-N 2.8Å; L421-D424 PolarHBondContact O-N 2.87Å; I422-D424 VanDerWaalsContact C-N 3.34Å; I422-D424 PolarHBondContact O-N 2.68Å; D424-K427 PolarHBondContact O-N 3.44Å; D424-K428 WeakPolarHBondContact O-CB 3.5Å; D424-K428 VanDerWaalsContact O-CG 3.31Å; D424-K428 WeakPolarHBondContact O-CG 3.44Å; D424-K428 PolarHBondContact O-N 2.88Å; D424-K428 WeakPolarHBondContact OD1-CE 3.43Å; D424-K428 IonicContact OD1-NZ 2.82Å; D424-K428 PolarHBondContact OD1-NZ 2.87Å; D424-K428 VanDerWaalsContact OD2-CE 3.26Å; D424-K428 WeakPolarHBondContact OD2-CE 3.28Å; D424-K428 IonicContact OD2-NZ 2.71Å; D424-K428 PolarHBondContact OD2-NZ 3.44Å |
| 425 | L | 81.7 | Confident | 73 | Confident | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 173.6 | -78.9 | 169 | 0 | 0 | 0 | 111.7 | L421 I422 K428 L429 | L421-L425 HydrophobicContact CG-CD1 4.26Å; L421-L425 WeakPolarHBondContact O-CB 3.44Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.09Å; I422-L425 PolarHBondContact O-N 2.98Å; L425-K428 PolarHBondContact O-N 2.99Å; L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 2.8Å |
| 426 | E | 84.6 | Confident | 73.3 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 173.8 | -71.2 | -168.8 | 168.3 | 0 | 0 | 112.5 | I422 K428 L429 R430 | I422-E426 HydrophobicContact CG2-CG 4.46Å; I422-E426 WeakPolarHBondContact O-CG 3.05Å; I422-E426 PolarHBondContact O-N 3.28Å; E426-K428 VanDerWaalsContact C-N 3.34Å; E426-L429 PolarHBondContact O-N 3.49Å; E426-R430 WeakPolarHBondContact O-CB 3.45Å; E426-R430 WeakPolarHBondContact O-CG 3.39Å; E426-R430 PolarHBondContact O-N 3.37Å; E426-R430 IonicContact OE2-CZ 3.1Å; E426-R430 IonicContact OE2-NH1 3.63Å; E426-R430 PolarHBondContact OE2-NH1 3.37Å; E426-R430 IonicContact OE2-NH2 3.26Å; E426-R430 PolarHBondContact OE2-NH2 3.06Å |
| 427 | K | 83.8 | Confident | 73.3 | Confident | 152 Ų | 152 | 105.8 Ų | 105.8 | 66% | 0.661 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | -174.2 | 175.8 | -177.5 | 177.2 | 0 | 110.9 | Q423 D424 S431 | Q423-K427 WeakPolarHBondContact O-CB 3.41Å; Q423-K427 PolarHBondContact O-N 2.87Å; D424-K427 PolarHBondContact O-N 3.44Å; K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 2.72Å |
| 428 | K | 81.4 | Confident | 73 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 171.5 | -74.7 | 166.7 | 177.4 | 167.3 | 0 | 111.8 | D424 L425 E426 S431 K432 | D424-K428 WeakPolarHBondContact O-CB 3.5Å; D424-K428 VanDerWaalsContact O-CG 3.31Å; D424-K428 WeakPolarHBondContact O-CG 3.44Å; D424-K428 PolarHBondContact O-N 2.88Å; D424-K428 WeakPolarHBondContact OD1-CE 3.43Å; D424-K428 IonicContact OD1-NZ 2.82Å; D424-K428 PolarHBondContact OD1-NZ 2.87Å; D424-K428 VanDerWaalsContact OD2-CE 3.26Å; D424-K428 WeakPolarHBondContact OD2-CE 3.28Å; D424-K428 IonicContact OD2-NZ 2.71Å; D424-K428 PolarHBondContact OD2-NZ 3.44Å; L425-K428 PolarHBondContact O-N 2.99Å; E426-K428 VanDerWaalsContact C-N 3.34Å; K428-S431 PolarHBondContact O-N 3.09Å; K428-K432 VanDerWaalsContact O-CB 3.3Å; K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.7Å |
| 429 | L | 78 | Confident | 72.3 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -52.6 | 175.4 | -164 | 75.6 | 0 | 0 | 0 | 110.8 | L425 E426 S431 K432 E433 | L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 2.8Å; E426-L429 PolarHBondContact O-N 3.49Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.37Å; L429-K432 CarbonylContact O-C 3.16Å; L429-K432 WeakPolarHBondContact O-CA 3.3Å; L429-K432 WeakPolarHBondContact O-CB 3.44Å; L429-K432 PolarHBondContact O-N 2.79Å; L429-E433 WeakPolarHBondContact O-CB 3.38Å; L429-E433 PolarHBondContact O-N 2.99Å |
| 430 | R | 69 | Low | 71.6 | Confident | 144 Ų | 144 | 106.1 Ų | 106.1 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.9 | -42.1 | 174.9 | -74.2 | -175.1 | -81.8 | -99.2 | 2.2 | 112 | E426 E433 A434 | E426-R430 WeakPolarHBondContact O-CB 3.45Å; E426-R430 WeakPolarHBondContact O-CG 3.39Å; E426-R430 PolarHBondContact O-N 3.37Å; E426-R430 IonicContact OE2-CZ 3.1Å; E426-R430 IonicContact OE2-NH1 3.63Å; E426-R430 PolarHBondContact OE2-NH1 3.37Å; E426-R430 IonicContact OE2-NH2 3.26Å; E426-R430 PolarHBondContact OE2-NH2 3.06Å; R430-E433 PolarHBondContact O-N 2.84Å; R430-A434 VanDerWaalsContact O-CB 3.32Å; R430-A434 WeakPolarHBondContact O-CB 3.45Å; R430-A434 PolarHBondContact O-N 2.9Å |
| 431 | S | 71.2 | Confident | 70.8 | Confident | 53 Ų | 53 | 112.2 Ų | 112.2 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 174 | -169 | 0 | 0 | 0 | 0 | 112.8 | K427 K428 L429 A434 R435 | K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 2.72Å; K428-S431 PolarHBondContact O-N 3.09Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.37Å; S431-A434 PolarHBondContact O-N 2.76Å; S431-R435 WeakPolarHBondContact O-CB 3.17Å; S431-R435 VanDerWaalsContact O-CG 3.26Å; S431-R435 WeakPolarHBondContact O-CG 3.33Å; S431-R435 PolarHBondContact O-N 2.79Å |
| 432 | K | 71.8 | Confident | 69.8 | Low | 151 Ų | 151 | 108 Ų | 108 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -40.6 | 176.3 | -167.7 | 178 | -177.7 | -177.3 | 0 | 111.9 | K428 L429 R435 R436 | K428-K432 VanDerWaalsContact O-CB 3.3Å; K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.7Å; L429-K432 CarbonylContact O-C 3.16Å; L429-K432 WeakPolarHBondContact O-CA 3.3Å; L429-K432 WeakPolarHBondContact O-CB 3.44Å; L429-K432 PolarHBondContact O-N 2.79Å; K432-R435 PolarHBondContact O-N 3.5Å; K432-R436 WeakPolarHBondContact O-CB 3.5Å; K432-R436 PolarHBondContact O-N 2.72Å |
| 433 | E | 68.3 | Low | 68.8 | Low | 66 Ų | 66 | 107 Ų | 107 | 31% | 0.308 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 173.5 | -129.1 | 68.6 | -106.6 | 0 | 0 | 111.5 | L429 R430 R436 R437 | L429-E433 WeakPolarHBondContact O-CB 3.38Å; L429-E433 PolarHBondContact O-N 2.99Å; R430-E433 PolarHBondContact O-N 2.84Å; E433-R436 PolarHBondContact O-N 2.91Å; E433-R436 IonicContact OE1-NE 3.6Å; E433-R437 WeakPolarHBondContact O-CB 3.15Å; E433-R437 WeakPolarHBondContact O-CG 3.44Å; E433-R437 PolarHBondContact O-N 2.64Å |
| 434 | A | 63.3 | Low | 67.6 | Low | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R430 S431 R436 R437 H438 | R430-A434 VanDerWaalsContact O-CB 3.32Å; R430-A434 WeakPolarHBondContact O-CB 3.45Å; R430-A434 PolarHBondContact O-N 2.9Å; S431-A434 PolarHBondContact O-N 2.76Å; A434-R436 VanDerWaalsContact C-N 3.3Å; A434-R436 PolarHBondContact O-N 3.29Å; A434-R437 PolarHBondContact O-N 3.06Å; A434-H438 WeakPolarHBondContact O-CB 3.36Å; A434-H438 PolarHBondContact O-N 2.8Å |
| 435 | R | 64.9 | Low | 66 | Low | 183 Ų | 183 | 113.4 Ų | 113.4 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -39 | 172.9 | -71.3 | 170.7 | -171.7 | -149.4 | -1.1 | 112 | S431 K432 S439 | S431-R435 WeakPolarHBondContact O-CB 3.17Å; S431-R435 VanDerWaalsContact O-CG 3.26Å; S431-R435 WeakPolarHBondContact O-CG 3.33Å; S431-R435 PolarHBondContact O-N 2.79Å; K432-R435 PolarHBondContact O-N 3.5Å; R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.15Å |
| 436 | R | 63 | Low | 64.9 | Low | 142 Ų | 142 | 110.5 Ų | 110.5 | 54% | 0.536 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.1 | -45.6 | 177.5 | -156.9 | 177.7 | 87.2 | 98.6 | 1 | 111.9 | K432 E433 A434 S439 Q440 | K432-R436 WeakPolarHBondContact O-CB 3.5Å; K432-R436 PolarHBondContact O-N 2.72Å; E433-R436 PolarHBondContact O-N 2.91Å; E433-R436 IonicContact OE1-NE 3.6Å; A434-R436 VanDerWaalsContact C-N 3.3Å; A434-R436 PolarHBondContact O-N 3.29Å; R436-S439 PolarHBondContact O-N 2.86Å; R436-Q440 WeakPolarHBondContact O-CB 3.02Å; R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 2.83Å |
| 437 | R | 60.7 | Low | 64.1 | Low | 161 Ų | 161 | 111.8 Ų | 111.8 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 174.8 | -75.2 | -175.7 | 176.5 | 99.5 | -2.3 | 112.1 | E433 A434 Q440 K441 | E433-R437 WeakPolarHBondContact O-CB 3.15Å; E433-R437 WeakPolarHBondContact O-CG 3.44Å; E433-R437 PolarHBondContact O-N 2.64Å; A434-R437 PolarHBondContact O-N 3.06Å; R437-Q440 PolarHBondContact O-N 3.08Å; R437-K441 WeakPolarHBondContact O-CB 3.46Å; R437-K441 PolarHBondContact O-N 2.9Å |
| 438 | H | 56.4 | Low | 63 | Low | 83 Ų | 83 | 107.7 Ų | 107.7 | 38% | 0.384 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -52 | 173.6 | -170 | -1.6 | 0 | 0 | 0 | 110.3 | A434 Q440 K441 L442 R450 | A434-H438 WeakPolarHBondContact O-CB 3.36Å; A434-H438 PolarHBondContact O-N 2.8Å; H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 PolarHBondContact O-N 2.87Å; H438-K441 CarbonylContact O-C 3.56Å; H438-K441 PolarHBondContact O-N 2.87Å; H438-L442 VanDerWaalsContact CE1-CD2 3.43Å; H438-L442 WeakPolarHBondContact CE1-CD2 3.31Å; H438-L442 WeakPolarHBondContact O-CG 3.34Å; H438-L442 PolarHBondContact O-N 2.72Å; H438-R450 PolarHBondContact CE1-NH1 2.94Å; H438-R450 PolarHBondContact NE2-NH1 3.06Å; H438-R450 PolarHBondContact NE2-NH2 3.03Å |
| 439 | S | 53.1 | Low | 61.9 | Low | 69 Ų | 69 | 103 Ų | 103 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -32.6 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 113.8 | R435 R436 | R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.15Å; R436-S439 PolarHBondContact O-N 2.86Å |
| 440 | Q | 57.8 | Low | 61.3 | Low | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -79.3 | -26 | 174.4 | -71.6 | -178.8 | -58.4 | 0 | 0 | 113.7 | R436 R437 H438 | R436-Q440 WeakPolarHBondContact O-CB 3.02Å; R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 2.83Å; R437-Q440 PolarHBondContact O-N 3.08Å; H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 PolarHBondContact O-N 2.87Å |
| 441 | K | 55 | Low | 60.9 | Low | 186 Ų | 186 | 103.7 Ų | 103.7 | 81% | 0.809 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -83.5 | -25.9 | 173.3 | -80.8 | -165.1 | 169.4 | -162.1 | 0 | 114.1 | R437 H438 S443 | R437-K441 WeakPolarHBondContact O-CB 3.46Å; R437-K441 PolarHBondContact O-N 2.9Å; H438-K441 CarbonylContact O-C 3.56Å; H438-K441 PolarHBondContact O-N 2.87Å; K441-S443 PolarHBondContact O-N 3Å |
| 442 | L | 56.8 | Low | 60.3 | Low | 17 Ų | 17 | 107 Ų | 107 | 9% | 0.089 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -52.3 | 127.7 | -179.7 | -72.3 | 176.9 | 0 | 0 | 0 | 110.7 | H438 E446 R447 | H438-L442 VanDerWaalsContact CE1-CD2 3.43Å; H438-L442 WeakPolarHBondContact CE1-CD2 3.31Å; H438-L442 WeakPolarHBondContact O-CG 3.34Å; H438-L442 PolarHBondContact O-N 2.72Å; L442-E446 VanDerWaalsContact CA-OE2 3.23Å; L442-E446 WeakPolarHBondContact CA-OE2 3.48Å; L442-E446 HydrophobicContact CB-CB 4.35Å; L442-E446 HydrophobicContact CD2-CB 4.18Å; L442-E446 HydrophobicContact CD2-CG 3.78Å; L442-E446 WeakPolarHBondContact CD2-OE1 3.27Å; L442-R447 HydrophobicContact CB-CG 3.68Å; L442-R447 HydrophobicContact CD1-CG 3.97Å; L442-R447 HydrophobicContact CG-CG 4.47Å; L442-R447 PolarHBondContact O-NE 3.28Å; L442-R447 PolarHBondContact O-NH2 2.74Å |
| 443 | S | 59 | Low | 59.8 | Low | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | trans | -60.9 | 161.2 | 169.9 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | K441 E445 E446 R447 | K441-S443 PolarHBondContact O-N 3Å; S443-E445 PolarHBondContact O-N 2.93Å; S443-E446 PolarHBondContact N-OE2 2.86Å; S443-E446 WeakPolarHBondContact O-CB 3.49Å; S443-E446 PolarHBondContact O-N 3.47Å; S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.32Å; S443-R447 PolarHBondContact O-N 2.8Å | ||
| 444 | Y | 55 | Low | 59.2 | Low | 179 Ų | 179 | 100.8 Ų | 100.8 | 70% | 0.702 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.6 | -43.4 | 172.5 | 174.4 | -91.7 | 0 | 0 | 0 | 111 | R447 M448 | Y444-R447 WeakPolarHBondContact O-CB 3.44Å; Y444-R447 PolarHBondContact O-N 2.88Å; Y444-M448 HydrophobicContact CD1-CG 4.39Å; Y444-M448 HydrophobicContact CE1-CG 3.96Å; Y444-M448 PolarHBondContact O-N 2.88Å |
| 445 | E | 51.3 | Low | 58.6 | Low | 151 Ų | 151 | 102.1 Ų | 102.1 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 177.4 | -164.2 | 154.3 | -138.1 | 0 | 0 | 111.8 | S443 R447 M448 A449 | S443-E445 PolarHBondContact O-N 2.93Å; E445-R447 VanDerWaalsContact C-N 3.33Å; E445-R447 PolarHBondContact O-N 2.77Å; E445-M448 CarbonylContact O-C 3.51Å; E445-M448 WeakPolarHBondContact O-CA 3.44Å; E445-M448 WeakPolarHBondContact O-CB 3.49Å; E445-M448 PolarHBondContact O-N 3.09Å; E445-A449 PolarHBondContact O-N 3.37Å |
| 446 | E | 58.3 | Low | 58 | Low | 41 Ų | 41 | 99.4 Ų | 99.4 | 19% | 0.192 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 175.2 | -142.5 | -175.9 | 150.9 | 0 | 0 | 112.7 | L442 S443 R450 L462 | L442-E446 VanDerWaalsContact CA-OE2 3.23Å; L442-E446 WeakPolarHBondContact CA-OE2 3.48Å; L442-E446 HydrophobicContact CB-CB 4.35Å; L442-E446 HydrophobicContact CD2-CB 4.18Å; L442-E446 HydrophobicContact CD2-CG 3.78Å; L442-E446 WeakPolarHBondContact CD2-OE1 3.27Å; S443-E446 PolarHBondContact N-OE2 2.86Å; S443-E446 WeakPolarHBondContact O-CB 3.49Å; S443-E446 PolarHBondContact O-N 3.47Å; E446-R450 WeakPolarHBondContact O-CB 2.87Å; E446-R450 PolarHBondContact O-N 3.04Å; E446-R450 VanDerWaalsContact O-N 3.1Å; E446-L462 HydrophobicContact CG-CD1 3.47Å; E446-L462 VanDerWaalsContact CG-CD1 3.47Å; E446-L462 HydrophobicContact CG-CD2 3.96Å; E446-L462 HydrophobicContact CG-CG 4.37Å |
| 447 | R | 67.4 | Low | 57.6 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 173.3 | -64.8 | 169 | -149.7 | -179 | 5.8 | 112 | L442 S443 Y444 E445 R451 | L442-R447 HydrophobicContact CB-CG 3.68Å; L442-R447 HydrophobicContact CD1-CG 3.97Å; L442-R447 HydrophobicContact CG-CG 4.47Å; L442-R447 PolarHBondContact O-NE 3.28Å; L442-R447 PolarHBondContact O-NH2 2.74Å; S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.32Å; S443-R447 PolarHBondContact O-N 2.8Å; Y444-R447 WeakPolarHBondContact O-CB 3.44Å; Y444-R447 PolarHBondContact O-N 2.88Å; E445-R447 VanDerWaalsContact C-N 3.33Å; E445-R447 PolarHBondContact O-N 2.77Å; R447-R451 VanDerWaalsContact O-CB 3.29Å; R447-R451 WeakPolarHBondContact O-CB 3.45Å; R447-R451 PolarHBondContact O-N 2.9Å |
| 448 | M | 61.5 | Low | 57.4 | Low | 66 Ų | 66 | 88 Ų | 88 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.3 | -49 | 173.8 | -76.6 | -67.1 | -76.8 | 0 | 0 | 110.9 | Y444 E445 R450 R451 L452 | Y444-M448 HydrophobicContact CD1-CG 4.39Å; Y444-M448 HydrophobicContact CE1-CG 3.96Å; Y444-M448 PolarHBondContact O-N 2.88Å; E445-M448 CarbonylContact O-C 3.51Å; E445-M448 WeakPolarHBondContact O-CA 3.44Å; E445-M448 WeakPolarHBondContact O-CB 3.49Å; E445-M448 PolarHBondContact O-N 3.09Å; M448-R450 PolarHBondContact O-N 2.91Å; M448-R451 PolarHBondContact O-N 2.79Å; M448-L452 HydrophobicContact CE-CD1 4.31Å; M448-L452 WeakPolarHBondContact O-CG 3.38Å; M448-L452 PolarHBondContact O-N 2.88Å |
| 449 | A | 58.8 | Low | 57.2 | Low | 23 Ų | 23 | 86.9 Ų | 86.9 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.2 | -50.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E445 R451 L452 L453 A458 | E445-A449 PolarHBondContact O-N 3.37Å; A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.45Å; A449-L452 PolarHBondContact O-N 3.02Å; A449-L453 WeakPolarHBondContact O-CB 3.32Å; A449-L453 PolarHBondContact O-N 3.05Å; A449-A458 HydrophobicContact CB-CB 4.21Å |
| 450 | R | 64.2 | Low | 57.2 | Low | 69 Ų | 69 | 92.4 Ų | 92.4 | 26% | 0.26 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -23.4 | 177.4 | -76.2 | -179.1 | 173.4 | -164.3 | 1.6 | 114.7 | H438 E446 M448 G454 A458 | H438-R450 PolarHBondContact CE1-NH1 2.94Å; H438-R450 PolarHBondContact NE2-NH1 3.06Å; H438-R450 PolarHBondContact NE2-NH2 3.03Å; E446-R450 WeakPolarHBondContact O-CB 2.87Å; E446-R450 PolarHBondContact O-N 3.04Å; E446-R450 VanDerWaalsContact O-N 3.1Å; M448-R450 PolarHBondContact O-N 2.91Å; R450-G454 PolarHBondContact O-N 3.05Å; R450-A458 HydrophobicContact CB-CB 4.3Å; R450-A458 HydrophobicContact CG-CB 3.39Å |
| 451 | R | 60 | Low | 56.7 | Low | 192 Ų | 192 | 92.5 Ų | 92.5 | 73% | 0.725 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -84.4 | -28.9 | 176.8 | -172.3 | -177.8 | -66.1 | 164.1 | -1.7 | 112.6 | R447 M448 A449 | R447-R451 VanDerWaalsContact O-CB 3.29Å; R447-R451 WeakPolarHBondContact O-CB 3.45Å; R447-R451 PolarHBondContact O-N 2.9Å; M448-R451 PolarHBondContact O-N 2.79Å; A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.45Å |
| 452 | L | 59.2 | Low | 56.6 | Low | 121 Ų | 121 | 86.9 Ų | 86.9 | 63% | 0.634 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -93.6 | -35 | -178.1 | -65.7 | 173 | 0 | 0 | 0 | 113.3 | M448 A449 | M448-L452 HydrophobicContact CE-CD1 4.31Å; M448-L452 WeakPolarHBondContact O-CG 3.38Å; M448-L452 PolarHBondContact O-N 2.88Å; A449-L452 PolarHBondContact O-N 3.02Å |
| 453 | L | 62.6 | Low | 56.1 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -112 | -9.2 | -172 | -57.4 | 175.7 | 0 | 0 | 0 | 114.1 | A449 N457 | A449-L453 WeakPolarHBondContact O-CB 3.32Å; A449-L453 PolarHBondContact O-N 3.05Å; L453-N457 HydrophobicContact CB-CB 4.16Å; L453-N457 WeakPolarHBondContact O-CB 3.48Å; L453-N457 PolarHBondContact O-ND2 3.04Å |
| 454 | G | 54.1 | Low | 55.4 | Low | 25 Ų | 25 | 95.9 Ų | 95.9 | 26% | 0.258 | 46% | 0.46 | S | S | . | . | trans | 86 | 170.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R450 A458 | R450-G454 PolarHBondContact O-N 3.05Å; G454-A458 WeakPolarHBondContact O-CB 3.38Å; G454-A458 PolarHBondContact O-N 2.81Å | ||
| 455 | P | 51.6 | Low | 54.7 | Low | 83 Ų | 83 | 94 Ų | 94 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -39.8 | -171.9 | 27.5 | -33.9 | 0 | 0 | 0 | 113.4 | T459 | P455-T459 PolarHBondContact O-OG1 2.89Š|
| 456 | D | 52.2 | Low | 53.9 | Low | 126 Ų | 126 | 94 Ų | 94 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -44.2 | -170.6 | -50.7 | -49.5 | 0 | 0 | 0 | 111.1 | A458 T459 | D456-A458 PolarHBondContact O-N 3.31Å; D456-T459 PolarHBondContact O-N 2.91Å |
| 457 | N | 54.2 | Low | 53 | Low | 65 Ų | 65 | 99.7 Ų | 99.7 | 35% | 0.348 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -64 | -38.7 | 176.8 | -72.9 | -28.6 | 0 | 0 | 0 | 113.2 | L453 T459 Y460 E563 | L453-N457 HydrophobicContact CB-CB 4.16Å; L453-N457 WeakPolarHBondContact O-CB 3.48Å; L453-N457 PolarHBondContact O-ND2 3.04Å; N457-T459 PolarHBondContact O-N 2.94Å; N457-Y460 PolarHBondContact O-N 2.9Å; N457-E563 PolarHBondContact ND2-OE1 2.95Å |
| 458 | A | 55.9 | Low | 51.4 | Low | 0 Ų | 0 | 99.5 Ų | 99.5 | 0% | 0 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -67.3 | -16.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A449 R450 G454 D456 L462 | A449-A458 HydrophobicContact CB-CB 4.21Å; R450-A458 HydrophobicContact CB-CB 4.3Å; R450-A458 HydrophobicContact CG-CB 3.39Å; G454-A458 WeakPolarHBondContact O-CB 3.38Å; G454-A458 PolarHBondContact O-N 2.81Å; D456-A458 PolarHBondContact O-N 3.31Å; A458-L462 WeakPolarHBondContact O-CD1 3.48Å |
| 459 | T | 52.6 | Low | 50.2 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 36% | 0.356 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -70.6 | -39.9 | 177.2 | -52.2 | 0 | 0 | 0 | 0 | 111 | P455 D456 N457 M461 L462 | P455-T459 PolarHBondContact O-OG1 2.89Å; D456-T459 PolarHBondContact O-N 2.91Å; N457-T459 PolarHBondContact O-N 2.94Å; T459-M461 PolarHBondContact O-N 2.88Å; T459-L462 PolarHBondContact O-N 3.28Å |
| 460 | Y | 53.1 | Low | 49 | Very low | 186 Ų | 186 | 110.6 Ų | 110.6 | 73% | 0.729 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -64.9 | -12.1 | 179.7 | -69.7 | -83 | 0 | 0 | 0 | 115.1 | N457 | N457-Y460 PolarHBondContact O-N 2.9Š|
| 461 | M | 47.9 | Very low | 47.4 | Very low | 118 Ų | 118 | 116 Ų | 116 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -88.6 | -9.1 | 175.6 | -78.6 | -120.6 | 60.7 | 0 | 0 | 113.8 | T459 | T459-M461 PolarHBondContact O-N 2.88Š|
| 462 | L | 53 | Low | 46 | Very low | 68 Ų | 68 | 115.1 Ų | 115.1 | 36% | 0.356 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.1 | -17 | -168.5 | -60.2 | 164.8 | 0 | 0 | 0 | 113.3 | E446 A458 T459 Q464 | E446-L462 HydrophobicContact CG-CD1 3.47Å; E446-L462 VanDerWaalsContact CG-CD1 3.47Å; E446-L462 HydrophobicContact CG-CD2 3.96Å; E446-L462 HydrophobicContact CG-CG 4.37Å; A458-L462 WeakPolarHBondContact O-CD1 3.48Å; T459-L462 PolarHBondContact O-N 3.28Å; L462-Q464 PolarHBondContact O-N 3.32Å |
| 463 | D | 45.4 | Very low | 44.5 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 5.9 | 177.8 | -67.4 | -40.7 | 0 | 0 | 0 | 113.4 | ||
| 464 | Q | 45.7 | Very low | 42.9 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -23.3 | 179.2 | -65.8 | -160.9 | -11.3 | 0 | 0 | 114.3 | L462 N466 | L462-Q464 PolarHBondContact O-N 3.32Å; Q464-N466 VanDerWaalsContact C-N 3.29Å; Q464-N466 PolarHBondContact O-N 3.5Å |
| 465 | D | 39.6 | Very low | 41.7 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -82.6 | 2.1 | -175.5 | -69.7 | -30.5 | 0 | 0 | 0 | 114.4 | ||
| 466 | N | 34.8 | Very low | 40.6 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -117.2 | 39.6 | -171.9 | -161 | 24.2 | 0 | 0 | 0 | 113.3 | Q464 | Q464-N466 VanDerWaalsContact C-N 3.29Å; Q464-N466 PolarHBondContact O-N 3.5Å |
| 467 | L | 39.3 | Very low | 39.6 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -136.1 | 23.2 | -177.6 | -110 | 170.7 | 0 | 0 | 0 | 113.9 | ||
| 468 | S | 34.2 | Very low | 39 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -126.3 | 17.5 | -173.1 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 469 | D | 36 | Very low | 37.8 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -141.6 | 72.2 | -178 | -152.2 | 5.5 | 0 | 0 | 0 | 112.7 | ||||
| 470 | L | 32.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -162.6 | 68.5 | 168 | -122.5 | 178.6 | 0 | 0 | 0 | 113.8 | ||||
| 471 | Q | 31.7 | Very low | 35.7 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -147.7 | 145.4 | 167.7 | -146.6 | 85.8 | 56.5 | 0 | 0 | 110.7 | ||||
| 472 | L | 30.3 | Very low | 35.1 | Very low | 174 Ų | 174 | 150 Ų | 150 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | 78 | 106.9 | -167.4 | -50.8 | 170.1 | 0 | 0 | 0 | 112.2 | ||||
| 473 | D | 27.8 | Very low | 34.2 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | -149.9 | 177.8 | 79.3 | -172.7 | 27.7 | 0 | 0 | 0 | 113.3 | |||||
| 474 | Q | 28.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | 78.2 | 82.1 | 163.4 | -48.6 | -162.4 | -1.9 | 0 | 0 | 117.4 | ||||
| 475 | S | 28.8 | Very low | 32.9 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -56.8 | 138.8 | 139 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 476 | D | 28.9 | Very low | 32.6 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -150.7 | 151.9 | 137.3 | -139.5 | -18.8 | 0 | 0 | 0 | 111.1 | ||||
| 477 | S | 31.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -157.2 | 125 | -177.3 | -170.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 478 | P | 41.1 | Very low | 32.2 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | trans | -118.5 | 124.9 | 161.1 | 17.3 | 3 | 0 | 0 | 0 | 113.3 | ||||
| 479 | E | 30.9 | Very low | 32.1 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | 36.6 | 107.3 | 135.9 | -52.5 | -165 | 134.7 | 0 | 0 | 119.8 | ||||
| 480 | G | 29 | Very low | 32.2 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -87.8 | -172 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 481 | R | 32.8 | Very low | 32.4 | Very low | 258 Ų | 258 | 154.5 Ų | 154.5 | 97% | 0.974 | 82% | 0.823 | S | S | * | * | trans | -146.1 | 159.5 | 165.4 | -93.7 | -176 | -175.9 | -154.8 | -0.1 | 111.9 | ||||
| 482 | R | 35.5 | Very low | 32.6 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -99.8 | 124.2 | 176.6 | -67.1 | 177.4 | 174.3 | -179.9 | -2.1 | 111.9 | ||||
| 483 | T | 33.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -159.3 | 150.7 | 150.9 | 39.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 484 | G | 32.3 | Very low | 33.8 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | 120.3 | 95.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 485 | G | 31.6 | Very low | 34.5 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 93.6 | 130.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 486 | L | 33.7 | Very low | 35.1 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | cis | 82.9 | 140.8 | 32.6 | -153.9 | 77.3 | 0 | 0 | 0 | 113.6 | ||||
| 487 | W | 33.7 | Very low | 35.6 | Very low | 238 Ų | 238 | 149.6 Ų | 149.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 72.5 | 131.4 | -172.9 | -41 | 100.6 | 0 | 0 | 0 | 115.1 | ||||
| 488 | G | 32.9 | Very low | 36.1 | Very low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 177.6 | 155.5 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 489 | R | 32 | Very low | 36.4 | Very low | 216 Ų | 216 | 151.3 Ų | 151.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 47.8 | 125.6 | 157.9 | -86.8 | -174.5 | 167.1 | -143.1 | -4 | 122.2 | ||||
| 490 | H | 36.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | trans | 68.7 | 97 | 137.6 | -58.2 | -36 | 0 | 0 | 0 | 120.2 | ||||
| 491 | H | 39.1 | Very low | 38 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | -125.5 | 131.5 | 116.9 | -80 | -76.4 | 0 | 0 | 0 | 109.4 | |||||
| 492 | S | 35.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -90 | 111.3 | 174.3 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 493 | G | 35.6 | Very low | 39.3 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -140.6 | 138.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | D495 | G493-D495 PolarHBondContact O-N 2.92Š| ||
| 494 | T | 47.7 | Very low | 40.4 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 130.3 | 179.4 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 495 | D | 41.7 | Very low | 41.5 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | -174.4 | 107.3 | 109.3 | -83 | -13.1 | 0 | 0 | 0 | 109.6 | G493 | G493-D495 PolarHBondContact O-N 2.92Š| |||
| 496 | E | 41.8 | Very low | 43.2 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -80.5 | 135.7 | 165.8 | -79.8 | -158 | 96.4 | 0 | 0 | 109.7 | ||||
| 497 | R | 39.8 | Very low | 45.4 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 56.7 | 128.1 | 149.1 | -65 | 167.3 | 166.7 | 132.1 | 2.5 | 117.1 | ||||
| 498 | T | 41.2 | Very low | 48 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | cis | -143.3 | 158 | 22.1 | -6 | 0 | 0 | 0 | 0 | 112 | E500 | T498-E500 PolarHBondContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE1 3.18Å | ||
| 499 | N | 48.6 | Very low | 50.9 | Low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -69.5 | 78.4 | 161.9 | 175.5 | 23.5 | 0 | 0 | 0 | 109.6 | G501 | N499-G501 PolarHBondContact O-N 3.05Å; N499-G501 PolarHBondContact OD1-N 2.88Å | ||
| 500 | E | 46.9 | Very low | 53.9 | Low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | trans | -90.1 | 57.3 | 168.3 | -76.2 | 179.3 | -128.2 | 0 | 0 | 110.6 | T498 S502 | T498-E500 PolarHBondContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE1 3.18Å; E500-S502 PolarHBondContact O-N 3.1Å | ||
| 501 | G | 46.6 | Very low | 56.8 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | trans | -62.4 | 64.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 110 | N499 A503 | N499-G501 PolarHBondContact O-N 3.05Å; N499-G501 PolarHBondContact OD1-N 2.88Å; G501-A503 PolarHBondContact O-N 3.48Å | ||
| 502 | S | 44.6 | Very low | 59.4 | Low | 88 Ų | 88 | 119 Ų | 119 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | trans | -59.4 | 100.3 | 171.8 | -89.2 | 0 | 0 | 0 | 0 | 107.6 | E500 I504 | E500-S502 PolarHBondContact O-N 3.1Å; S502-I504 PolarHBondContact O-N 2.96Å | ||
| 503 | A | 50.3 | Low | 62.3 | Low | 89 Ų | 89 | 114.3 Ų | 114.3 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | trans | -55.4 | 109.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | G501 Q505 | G501-A503 PolarHBondContact O-N 3.48Å; A503-Q505 VanDerWaalsContact C-N 3.27Å; A503-Q505 PolarHBondContact O-N 3.41Å | ||
| 504 | I | 55.9 | Low | 65.1 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | trans | -61.1 | 99.1 | 174.4 | -62.7 | 174.3 | 0 | 0 | 0 | 105.3 | S502 E506 | S502-I504 PolarHBondContact O-N 2.96Å; I504-E506 PolarHBondContact O-N 2.91Å | ||
| 505 | Q | 56.3 | Low | 67.3 | Low | 186 Ų | 186 | 114.1 Ų | 114.1 | 87% | 0.869 | 59% | 0.59 | S | S | * | * | trans | -74.8 | 84.9 | -170.3 | -165.1 | 175.4 | 40.8 | 0 | 0 | 107.7 | A503 K507 | A503-Q505 VanDerWaalsContact C-N 3.27Å; A503-Q505 PolarHBondContact O-N 3.41Å; Q505-K507 PolarHBondContact O-N 2.85Å; Q505-K507 VanDerWaalsContact O-N 3.08Å | ||
| 506 | E | 66.6 | Low | 69.9 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | trans | -45.5 | 119.5 | -175.9 | -68.5 | -168.7 | 129.1 | 0 | 0 | 109.3 | I504 C508 R589 | I504-E506 PolarHBondContact O-N 2.91Å; E506-C508 PolarHBondContact O-N 3.4Å; E506-C508 PolarHBondContact O-SG 3.12Å; E506-R589 IonicContact OE2-CZ 2.62Å; E506-R589 IonicContact OE2-NH1 3.45Å; E506-R589 IonicContact OE2-NH2 3.45Å; E506-R589 PolarHBondContact OE2-NH2 3.22Å | ||
| 507 | K | 80 | Confident | 72.4 | Confident | 181 Ų | 181 | 104.7 Ų | 104.7 | 79% | 0.787 | 55% | 0.545 | S | S | * | . | trans | -72.1 | 78 | -170 | -171.3 | 179 | 178.1 | 176.5 | 0 | 111 | Q505 | Q505-K507 PolarHBondContact O-N 2.85Å; Q505-K507 VanDerWaalsContact O-N 3.08Å | ||
| 508 | C | 88.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 33% | 0.331 | 54% | 0.537 | S | S | . | . | trans | -71.4 | 144.8 | 178 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | E506 L537 R589 A590 | E506-C508 PolarHBondContact O-N 3.4Å; E506-C508 PolarHBondContact O-SG 3.12Å; C508-L537 CarbonylContact C-O 3.58Å; C508-L537 WeakPolarHBondContact CA-O 3.41Å; C508-L537 WeakPolarHBondContact CB-O 3.45Å; C508-R589 PolarHBondContact SG-NE 3.29Å; C508-R589 PolarHBondContact SG-NH2 3.31Å; C508-A590 HydrophobicContact CB-CB 3.93Å | ||
| 509 | F | 93.4 | Very high | 77.7 | Confident | 86 Ų | 86 | 99.6 Ų | 99.6 | 38% | 0.377 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 145.4 | 169.6 | 60.8 | -95.4 | 0 | 0 | 0 | 110.8 | G536 L537 N588 | F509-G536 VanDerWaalsContact CE2-CA 3.44Å; F509-L537 HydrophobicContact CD1-CB 3.91Å; F509-L537 HydrophobicContact CD1-CD1 4.17Å; F509-L537 HydrophobicContact CD1-CG 4.11Å; F509-L537 HydrophobicContact CE1-CB 3.84Å; F509-L537 HydrophobicContact CE1-CD1 3.58Å; F509-L537 HydrophobicContact CE1-CG 3.51Å; F509-L537 HydrophobicContact CZ-CB 4.44Å; F509-L537 HydrophobicContact CZ-CD1 4.42Å; F509-L537 HydrophobicContact CZ-CG 3.99Å; F509-L537 PolarHBondContact N-O 3.32Å; F509-L537 PolarHBondContact O-N 2.8Å; F509-L537 VanDerWaalsContact O-N 3.13Å; F509-N588 PolarHBondContact O-ND2 3.37Å |
| 510 | A | 94.9 | Very high | 80 | Confident | 42 Ų | 42 | 94.4 Ų | 94.4 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 153.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R512 | A510-R512 PolarHBondContact O-N 2.79Å |
| 511 | P | 96.6 | Very high | 82.2 | Confident | 8 Ų | 8 | 91.7 Ų | 91.7 | 5% | 0.052 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130 | -178 | -21 | 36.7 | 0 | 0 | 0 | 111.4 | V534 S535 P540 A586 N588 G591 | P511-V534 HydrophobicContact CB-CG2 4.21Å; P511-S535 CarbonylContact C-O 3.57Å; P511-S535 VanDerWaalsContact CA-O 3.32Å; P511-S535 WeakPolarHBondContact CA-O 3.41Å; P511-P540 HydrophobicContact CB-CB 3.94Å; P511-P540 HydrophobicContact CB-CG 4.4Å; P511-P540 HydrophobicContact CG-CB 3.83Å; P511-A586 HydrophobicContact CB-CB 3.77Å; P511-A586 WeakPolarHBondContact CG-O 3.36Å; P511-N588 WeakPolarHBondContact CD-OD1 2.91Å; P511-N588 HydrophobicContact CG-CB 4.14Å; P511-G591 WeakPolarHBondContact CD-O 3.47Å |
| 512 | R | 94.9 | Very high | 84.5 | Confident | 175 Ų | 175 | 89.8 Ų | 89.8 | 66% | 0.66 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.7 | 177.7 | 178.5 | 174.4 | 177 | 164.6 | 1.3 | 110.1 | A510 L514 V534 S535 | A510-R512 PolarHBondContact O-N 2.79Å; R512-L514 HydrophobicContact CG-CD2 4.27Å; R512-L514 PolarHBondContact O-N 3.38Å; R512-V534 WeakPolarHBondContact O-CA 3.35Å; R512-S535 PolarHBondContact N-O 3.34Å; R512-S535 PolarHBondContact O-N 3.1Å |
| 513 | F | 95.7 | Very high | 86.7 | Confident | 23 Ų | 23 | 89.9 Ų | 89.9 | 10% | 0.101 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.9 | 168 | -65.7 | -73.1 | 0 | 0 | 0 | 110.2 | I516 F532 K533 V534 A586 F595 | F513-I516 HydrophobicContact CB-CD1 4.14Å; F513-I516 HydrophobicContact CB-CG1 3.79Å; F513-I516 HydrophobicContact CG-CG1 4.48Å; F513-F532 HydrophobicContact CD1-CD2 4.12Å; F513-F532 AromaticContact CE1-CD2 3.71Å; F513-F532 HydrophobicContact CE1-CD2 3.71Å; F513-F532 AromaticContact CE1-CE2 3.97Å; F513-F532 HydrophobicContact CE1-CE2 3.97Å; F513-K533 CarbonylContact C-O 3.6Å; F513-K533 WeakPolarHBondContact CA-O 3.47Å; F513-V534 HydrophobicContact CD1-CB 3.72Å; F513-V534 HydrophobicContact CD1-CG2 3.94Å; F513-V534 HydrophobicContact CE1-CB 3.78Å; F513-V534 HydrophobicContact CE1-CG2 3.93Å; F513-V534 HydrophobicContact CG-CG2 4.43Å; F513-V534 HydrophobicContact CZ-CG2 4.42Å; F513-A586 HydrophobicContact CE1-CB 4.23Å; F513-A586 HydrophobicContact CE2-CB 4.07Å; F513-A586 HydrophobicContact CZ-CB 3.55Å; F513-F595 AromaticContact CD1-CD1 3.62Å; F513-F595 HydrophobicContact CD1-CD1 3.62Å; F513-F595 AromaticContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD2-CB 4.44Å; F513-F595 AromaticContact CD2-CD1 3.75Å; F513-F595 HydrophobicContact CD2-CD1 3.75Å; F513-F595 AromaticContact CE1-CD1 3.6Å; F513-F595 HydrophobicContact CE1-CD1 3.6Å; F513-F595 AromaticContact CE1-CE1 3.52Å; F513-F595 HydrophobicContact CE1-CE1 3.52Å; F513-F595 AromaticContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CE1 4.42Å; F513-F595 AromaticContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CE1 4.31Å; F513-F595 AromaticContact CZ-CD1 3.63Å; F513-F595 HydrophobicContact CZ-CD1 3.63Å; F513-F595 AromaticContact CZ-CE1 3.88Å; F513-F595 HydrophobicContact CZ-CE1 3.88Å |
| 514 | L | 95.3 | Very high | 88.7 | Confident | 95 Ų | 95 | 88 Ų | 88 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -25.2 | 179.1 | -59.1 | -178.9 | 0 | 0 | 0 | 111.7 | R512 K533 | R512-L514 HydrophobicContact CG-CD2 4.27Å; R512-L514 PolarHBondContact O-N 3.38Å; L514-K533 HydrophobicContact CB-CB 4.31Å; L514-K533 HydrophobicContact CB-CD 4.28Å; L514-K533 HydrophobicContact CB-CG 4.27Å; L514-K533 HydrophobicContact CD1-CD 4.34Å; L514-K533 PolarHBondContact N-O 2.86Å |
| 515 | Q | 94.8 | Very high | 90.2 | Very high | 101 Ų | 101 | 82.8 Ų | 82.8 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 121.4 | 173.3 | -178.4 | 178.1 | -20.3 | 0 | 0 | 107.5 | K533 | Q515-K533 HydrophobicContact CB-CB 3.64Å; Q515-K533 PolarHBondContact N-O 2.88Å; Q515-K533 PolarHBondContact O-N 2.85Å |
| 516 | I | 95.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 80.7 Ų | 80.7 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | trans | -110 | 129.4 | 176.4 | -65.1 | 169.8 | 0 | 0 | 0 | 106.7 | F513 F595 | F513-I516 HydrophobicContact CB-CD1 4.14Å; F513-I516 HydrophobicContact CB-CG1 3.79Å; F513-I516 HydrophobicContact CG-CG1 4.48Å; I516-F595 HydrophobicContact CD1-CB 3.81Å; I516-F595 HydrophobicContact CG1-CB 3.99Å; I516-F595 HydrophobicContact CG1-CD1 4.25Å; I516-F595 HydrophobicContact CG1-CG 4.14Å; I516-F595 HydrophobicContact CG2-CB 3.94Å; I516-F595 HydrophobicContact CG2-CD2 3.71Å; I516-F595 HydrophobicContact CG2-CE2 4.32Å; I516-F595 HydrophobicContact CG2-CG 3.85Å | ||
| 517 | P | 94.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 81.5 Ų | 81.5 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 145.9 | 175.7 | 27.8 | -33.8 | 0 | 0 | 0 | 110.9 | I530 F532 F595 M597 | P517-I530 HydrophobicContact CB-CG2 4.16Å; P517-I530 HydrophobicContact CG-CG2 3.59Å; P517-F532 HydrophobicContact CG-CB 4.41Å; P517-F595 HydrophobicContact CG-CE2 3.82Å; P517-F595 HydrophobicContact CG-CZ 4.01Å; P517-M597 HydrophobicContact CB-CE 3.93Å; P517-M597 HydrophobicContact CG-CE 3.81Å |
| 518 | P | 95.8 | Very high | 93.6 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 167.9 | 171.3 | 34.5 | -36.7 | 0 | 0 | 0 | 111 | M597 | P518-M597 VanDerWaalsContact O-CE 3.26Å; P518-M597 WeakPolarHBondContact O-CE 3.42Å |
| 519 | D | 96.5 | Very high | 93.9 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 145.6 | 168.3 | -60.6 | -24.3 | 0 | 0 | 0 | 111.2 | M597 R598 | D519-M597 WeakPolarHBondContact OD1-CA 3.45Å; D519-R598 CarbonylContact C-O 3.47Å; D519-R598 WeakPolarHBondContact CA-O 3.31Å; D519-R598 HydrophobicContact CB-CB 4.2Å; D519-R598 PolarHBondContact OD1-N 2.9Å |
| 520 | L | 95.6 | Very high | 94 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.8 | -173.6 | -64.4 | 179 | 0 | 0 | 0 | 111.9 | I530 M597 R598 L599 D600 | L520-I530 HydrophobicContact CD1-CG1 3.97Å; L520-M597 HydrophobicContact CD1-CE 3.97Å; L520-M597 HydrophobicContact CG-CE 4.01Å; L520-R598 PolarHBondContact N-O 3.32Å; L520-L599 HydrophobicContact CB-CD1 3.9Å; L520-L599 WeakPolarHBondContact O-CA 3.42Å; L520-D600 PolarHBondContact O-N 3.03Å |
| 521 | T | 95.1 | Very high | 94 | Very high | 93 Ų | 93 | 72.8 Ų | 72.8 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.3 | 170.7 | -49.6 | 0 | 0 | 0 | 0 | 108.8 | D600 I602 | T521-D600 CarbonylContact C-O 3.58Å; T521-D600 VanDerWaalsContact CA-O 3.29Å; T521-D600 WeakPolarHBondContact CA-O 3.29Å; T521-D600 HydrophobicContact CG2-CB 4.13Å; T521-I602 HydrophobicContact CG2-CD1 3.7Å; T521-I602 HydrophobicContact CG2-CG1 3.74Å |
| 522 | V | 93.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 141 | -171.4 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | R526 C528 V574 L599 D600 V601 I602 | V522-R526 HydrophobicContact CG1-CB 3.94Å; V522-C528 HydrophobicContact CG2-CB 4.41Å; V522-V574 HydrophobicContact CG1-CB 4.46Å; V522-V574 HydrophobicContact CG1-CG1 4.43Å; V522-V574 HydrophobicContact CG1-CG2 4.09Å; V522-L599 HydrophobicContact CB-CD1 4.29Å; V522-L599 HydrophobicContact CG2-CD1 3.74Å; V522-D600 PolarHBondContact N-O 2.86Å; V522-V601 CarbonylContact O-C 3.53Å; V522-V601 WeakPolarHBondContact O-CA 3.38Å; V522-I602 PolarHBondContact O-N 3Å |
| 523 | E | 91.2 | Very high | 94 | Very high | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 141.9 | 172.4 | -60.3 | 169.7 | 166.5 | 0 | 0 | 110.8 | R526 | E523-R526 HydrophobicContact CB-CG 3.74Å; E523-R526 WeakPolarHBondContact O-CB 3.48Å; E523-R526 WeakPolarHBondContact O-CG 3.48Å; E523-R526 PolarHBondContact O-N 3.49Å; E523-R526 IonicContact OE2-CZ 3.17Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 3.26Å; E523-R526 IonicContact OE2-NH2 3.63Å; E523-R526 PolarHBondContact OE2-NH2 2.89Å |
| 524 | E | 91.8 | Very high | 94 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 144.9 | 169.4 | 178.7 | 154.9 | -122.2 | 0 | 0 | 111.8 | R526 T575 V576 V601 I602 Q604 | E524-R526 VanDerWaalsContact C-N 3.26Å; E524-R526 PolarHBondContact O-N 3.5Å; E524-T575 VanDerWaalsContact OE1-CA 3.24Å; E524-T575 WeakPolarHBondContact OE1-CA 3.38Å; E524-V576 PolarHBondContact OE1-N 2.87Å; E524-V601 HydrophobicContact CB-CG1 4.1Å; E524-I602 PolarHBondContact N-O 2.92Å; E524-Q604 HydrophobicContact CB-CB 4.3Å |
| 525 | G | 87 | Confident | 93.9 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -4.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V574 | G525-V574 PolarHBondContact N-O 2.96Š|
| 526 | R | 90.4 | Very high | 93.7 | Very high | 143 Ų | 143 | 59.3 Ų | 59.3 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -86.8 | 167.2 | 172.1 | -56.1 | -60.8 | -168.3 | 165.2 | 5.6 | 111.8 | V522 E523 E524 V574 | V522-R526 HydrophobicContact CG1-CB 3.94Å; E523-R526 HydrophobicContact CB-CG 3.74Å; E523-R526 WeakPolarHBondContact O-CB 3.48Å; E523-R526 WeakPolarHBondContact O-CG 3.48Å; E523-R526 PolarHBondContact O-N 3.49Å; E523-R526 IonicContact OE2-CZ 3.17Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 3.26Å; E523-R526 IonicContact OE2-NH2 3.63Å; E523-R526 PolarHBondContact OE2-NH2 2.89Å; E524-R526 VanDerWaalsContact C-N 3.26Å; E524-R526 PolarHBondContact O-N 3.5Å; R526-V574 WeakPolarHBondContact O-CB 3.31Å; R526-V574 WeakPolarHBondContact O-CG2 3.37Å; R526-V574 PolarHBondContact O-N 3.28Å |
| 527 | F | 90.9 | Very high | 93.5 | Very high | 148 Ų | 148 | 59.1 Ų | 59.1 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | trans | -84.9 | 146.8 | 163 | 71.9 | -87.9 | 0 | 0 | 0 | 110.3 | I571 E572 | F527-I571 CarbonylContact C-O 3.46Å; F527-I571 VanDerWaalsContact CA-O 3.31Å; F527-I571 WeakPolarHBondContact CA-O 3.35Å; F527-E572 WeakPolarHBondContact CA-O 3.36Å; F527-E572 WeakPolarHBondContact CB-O 3.32Å | ||
| 528 | C | 94.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.6 | 167.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V522 I570 I571 V574 | V522-C528 HydrophobicContact CG2-CB 4.41Å; C528-I570 WeakPolarHBondContact O-CA 3.23Å; C528-I571 HydrophobicContact CB-CB 4.14Å; C528-I571 HydrophobicContact CB-CD1 4.32Å; C528-I571 HydrophobicContact CB-CG1 4.41Å; C528-I571 PolarHBondContact N-O 3.3Å; C528-I571 PolarHBondContact O-N 3.37Å; C528-V574 HydrophobicContact CB-CG2 3.59Å |
| 529 | R | 94.8 | Very high | 93.1 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122.7 | 172.8 | 175.6 | 174.3 | 174.5 | 163.6 | 3.8 | 109.5 | D531 S568 I570 | R529-D531 IonicContact CZ-OD1 2.74Å; R529-D531 IonicContact CZ-OD2 2.63Å; R529-D531 VanDerWaalsContact NE-CG 3.25Å; R529-D531 IonicContact NE-OD1 2.67Å; R529-D531 PolarHBondContact NE-OD1 3.39Å; R529-D531 IonicContact NE-OD2 3.33Å; R529-D531 PolarHBondContact NE-OD2 2.88Å; R529-D531 IonicContact NH2-OD1 3.66Å; R529-D531 PolarHBondContact NH2-OD1 2.88Å; R529-D531 IonicContact NH2-OD2 3.86Å; R529-D531 PolarHBondContact NH2-OD2 3.16Å; R529-S568 PolarHBondContact NE-OG 2.72Å; R529-S568 PolarHBondContact NH2-OG 2.69Å; R529-I570 HydrophobicContact CB-CG1 4.34Å; R529-I570 HydrophobicContact CG-CG1 4.11Å |
| 530 | I | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 104.2 | -177.4 | -55.9 | -175.8 | 0 | 0 | 0 | 108 | P517 L520 W544 S568 F569 M597 | P517-I530 HydrophobicContact CB-CG2 4.16Å; P517-I530 HydrophobicContact CG-CG2 3.59Å; L520-I530 HydrophobicContact CD1-CG1 3.97Å; I530-W544 HydrophobicContact CG2-CH2 3.67Å; I530-W544 HydrophobicContact CG2-CZ2 4.27Å; I530-S568 WeakPolarHBondContact O-CA 3.11Å; I530-F569 HydrophobicContact CB-CB 4.33Å; I530-F569 HydrophobicContact CB-CD1 4.44Å; I530-F569 HydrophobicContact CD1-CD1 3.98Å; I530-F569 HydrophobicContact CD1-CE1 4.44Å; I530-F569 HydrophobicContact CG1-CD1 4.38Å; I530-F569 PolarHBondContact N-O 3.39Å; I530-F569 PolarHBondContact O-N 3.07Å; I530-M597 HydrophobicContact CD1-CE 4.1Å; I530-M597 HydrophobicContact CD1-SD 3.92Å; I530-M597 HydrophobicContact CG1-CE 4.34Å; I530-M597 HydrophobicContact CG2-CE 3.71Å |
| 531 | D | 94.7 | Very high | 92.8 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.8 | -174.1 | -85 | -11.4 | 0 | 0 | 0 | 111.5 | R529 M566 S568 | R529-D531 IonicContact CZ-OD1 2.74Å; R529-D531 IonicContact CZ-OD2 2.63Å; R529-D531 VanDerWaalsContact NE-CG 3.25Å; R529-D531 IonicContact NE-OD1 2.67Å; R529-D531 PolarHBondContact NE-OD1 3.39Å; R529-D531 IonicContact NE-OD2 3.33Å; R529-D531 PolarHBondContact NE-OD2 2.88Å; R529-D531 IonicContact NH2-OD1 3.66Å; R529-D531 PolarHBondContact NH2-OD1 2.88Å; R529-D531 IonicContact NH2-OD2 3.86Å; R529-D531 PolarHBondContact NH2-OD2 3.16Å; D531-M566 HydrophobicContact CB-CE 3.64Å; D531-S568 VanDerWaalsContact OD1-CB 3.25Å; D531-S568 WeakPolarHBondContact OD1-CB 3.36Å; D531-S568 PolarHBondContact OD1-OG 2.83Å |
| 532 | F | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 159.7 | -174.8 | 66.6 | -78.3 | 0 | 0 | 0 | 111.6 | F513 P517 I542 W544 H567 F569 F595 | F513-F532 HydrophobicContact CD1-CD2 4.12Å; F513-F532 AromaticContact CE1-CD2 3.71Å; F513-F532 HydrophobicContact CE1-CD2 3.71Å; F513-F532 AromaticContact CE1-CE2 3.97Å; F513-F532 HydrophobicContact CE1-CE2 3.97Å; P517-F532 HydrophobicContact CG-CB 4.41Å; F532-I542 HydrophobicContact CE2-CD1 3.99Å; F532-I542 HydrophobicContact CE2-CG2 4.35Å; F532-I542 HydrophobicContact CZ-CD1 4.13Å; F532-I542 HydrophobicContact CZ-CG2 4.08Å; F532-W544 AromaticContact CD1-CZ2 3.87Å; F532-W544 HydrophobicContact CD1-CZ2 3.87Å; F532-W544 AromaticContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CZ-CZ2 4.06Å; F532-W544 AromaticContact CZ-NE1 3.98Å; F532-H567 HydrophobicContact CD1-CB 4.07Å; F532-H567 WeakPolarHBondContact CD1-O 3.32Å; F532-H567 HydrophobicContact CD2-CB 4.11Å; F532-H567 HydrophobicContact CE1-CB 3.55Å; F532-H567 HydrophobicContact CE2-CB 3.63Å; F532-H567 HydrophobicContact CG-CB 4.33Å; F532-H567 HydrophobicContact CZ-CB 3.32Å; F532-H567 PolarHBondContact N-O 2.95Å; F532-H567 PolarHBondContact O-N 2.95Å; F532-H567 VanDerWaalsContact O-O 3.1Å; F532-F569 HydrophobicContact CE1-CB 4.42Å; F532-F595 HydrophobicContact CB-CE1 4.01Å; F532-F595 HydrophobicContact CB-CZ 3.97Å; F532-F595 AromaticContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CZ 4.37Å; F532-F595 HydrophobicContact CG-CE1 4.04Å; F532-F595 HydrophobicContact CG-CZ 4.08Å |
| 533 | K | 95.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.6 | -179.7 | -164.6 | 177.8 | -178.1 | 157.2 | 0 | 110.9 | F513 L514 Q515 K564 G565 M566 | F513-K533 CarbonylContact C-O 3.6Å; F513-K533 WeakPolarHBondContact CA-O 3.47Å; L514-K533 HydrophobicContact CB-CB 4.31Å; L514-K533 HydrophobicContact CB-CD 4.28Å; L514-K533 HydrophobicContact CB-CG 4.27Å; L514-K533 HydrophobicContact CD1-CD 4.34Å; L514-K533 PolarHBondContact N-O 2.86Å; Q515-K533 HydrophobicContact CB-CB 3.64Å; Q515-K533 PolarHBondContact N-O 2.88Å; Q515-K533 PolarHBondContact O-N 2.85Å; K533-K564 WeakPolarHBondContact CE-O 3.49Å; K533-K564 PolarHBondContact NZ-O 2.79Å; K533-G565 WeakPolarHBondContact CA-O 3.39Å; K533-G565 WeakPolarHBondContact CG-O 3.23Å; K533-M566 HydrophobicContact CB-SD 3.94Å; K533-M566 HydrophobicContact CG-SD 4.31Å |
| 534 | V | 95.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.1 | 176.9 | 67.1 | 0 | 0 | 0 | 0 | 110.5 | P511 R512 F513 P540 I542 G565 A586 | P511-V534 HydrophobicContact CB-CG2 4.21Å; R512-V534 WeakPolarHBondContact O-CA 3.35Å; F513-V534 HydrophobicContact CD1-CB 3.72Å; F513-V534 HydrophobicContact CD1-CG2 3.94Å; F513-V534 HydrophobicContact CE1-CB 3.78Å; F513-V534 HydrophobicContact CE1-CG2 3.93Å; F513-V534 HydrophobicContact CG-CG2 4.43Å; F513-V534 HydrophobicContact CZ-CG2 4.42Å; V534-P540 HydrophobicContact CG1-CG 3.86Å; V534-P540 HydrophobicContact CG2-CG 4.11Å; V534-I542 HydrophobicContact CG1-CD1 4.15Å; V534-G565 PolarHBondContact N-O 2.82Å; V534-G565 VanDerWaalsContact N-O 3.08Å; V534-A586 HydrophobicContact CG2-CB 3.92Å |
| 535 | S | 93.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144.9 | 167.9 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | P511 R512 | P511-S535 CarbonylContact C-O 3.57Å; P511-S535 VanDerWaalsContact CA-O 3.32Å; P511-S535 WeakPolarHBondContact CA-O 3.41Å; R512-S535 PolarHBondContact N-O 3.34Å; R512-S535 PolarHBondContact O-N 3.1Å |
| 536 | G | 91.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 149.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | F509 P538 | F509-G536 VanDerWaalsContact CE2-CA 3.44Å; G536-P538 CarbonylContact C-O 3.55Å; G536-P538 CarbonylContact O-C 3.58Å |
| 537 | L | 91 | Very high | 94 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.3 | 168.6 | -74.1 | -177.1 | 0 | 0 | 0 | 110 | C508 F509 N588 | C508-L537 CarbonylContact C-O 3.58Å; C508-L537 WeakPolarHBondContact CA-O 3.41Å; C508-L537 WeakPolarHBondContact CB-O 3.45Å; F509-L537 HydrophobicContact CD1-CB 3.91Å; F509-L537 HydrophobicContact CD1-CD1 4.17Å; F509-L537 HydrophobicContact CD1-CG 4.11Å; F509-L537 HydrophobicContact CE1-CB 3.84Å; F509-L537 HydrophobicContact CE1-CD1 3.58Å; F509-L537 HydrophobicContact CE1-CG 3.51Å; F509-L537 HydrophobicContact CZ-CB 4.44Å; F509-L537 HydrophobicContact CZ-CD1 4.42Å; F509-L537 HydrophobicContact CZ-CG 3.99Å; F509-L537 PolarHBondContact N-O 3.32Å; F509-L537 PolarHBondContact O-N 2.8Å; F509-L537 VanDerWaalsContact O-N 3.13Å; L537-N588 PolarHBondContact N-ND2 2.95Å; L537-N588 PolarHBondContact O-ND2 3.02Å |
| 538 | P | 91.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 46 Ų | 46 | 31% | 0.312 | 27% | 0.266 | S | S | . | . | S | Bend | cis | -56.8 | 167.5 | -9.2 | -22.3 | 35 | 0 | 0 | 0 | 113.2 | G536 N588 R589 | G536-P538 CarbonylContact C-O 3.55Å; G536-P538 CarbonylContact O-C 3.58Å; P538-N588 WeakPolarHBondContact O-CB 3.43Å; P538-N588 PolarHBondContact O-ND2 3.1Å; P538-R589 HydrophobicContact CG-CG 3.99Å |
| 539 | A | 90.4 | Very high | 94.1 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 70% | 0.702 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 133.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 540 | P | 93.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 140.6 | -176.9 | 30 | -33.6 | 0 | 0 | 0 | 112.2 | P511 V534 A586 K587 | P511-P540 HydrophobicContact CB-CB 3.94Å; P511-P540 HydrophobicContact CB-CG 4.4Å; P511-P540 HydrophobicContact CG-CB 3.83Å; V534-P540 HydrophobicContact CG1-CG 3.86Å; V534-P540 HydrophobicContact CG2-CG 4.11Å; P540-A586 HydrophobicContact CB-CB 4.05Å; P540-A586 HydrophobicContact CG-CB 4.46Å; P540-K587 CarbonylContact C-O 3.53Å; P540-K587 VanDerWaalsContact CA-O 3.29Å; P540-K587 WeakPolarHBondContact CA-O 3.31Å |
| 541 | D | 92.9 | Very high | 94 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 149.4 | 158.2 | -178.4 | 29.8 | 0 | 0 | 0 | 109.5 | A586 K587 | D541-A586 CarbonylContact O-C 3.51Å; D541-A586 VanDerWaalsContact O-CA 3.29Å; D541-A586 WeakPolarHBondContact O-CA 3.38Å; D541-K587 PolarHBondContact N-O 2.93Å; D541-K587 PolarHBondContact O-N 2.78Å |
| 542 | I | 94.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 121.2 | -171.5 | -62.8 | 165.4 | 0 | 0 | 0 | 110 | F532 V534 M559 H567 V585 A586 | F532-I542 HydrophobicContact CE2-CD1 3.99Å; F532-I542 HydrophobicContact CE2-CG2 4.35Å; F532-I542 HydrophobicContact CZ-CD1 4.13Å; F532-I542 HydrophobicContact CZ-CG2 4.08Å; V534-I542 HydrophobicContact CG1-CD1 4.15Å; I542-M559 HydrophobicContact CG2-SD 4.28Å; I542-H567 VanDerWaalsContact CD1-CE1 3.45Å; I542-H567 WeakPolarHBondContact CD1-CE1 3.43Å; I542-H567 VanDerWaalsContact CD1-ND1 3.33Å; I542-H567 WeakPolarHBondContact CD1-ND1 3.38Å; I542-V585 WeakPolarHBondContact CA-O 3.49Å; I542-A586 HydrophobicContact CG1-CB 4.38Å |
| 543 | S | 95 | Very high | 93.1 | Very high | 44 Ų | 44 | 64 Ų | 64 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.2 | 175.2 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | V585 | S543-V585 PolarHBondContact N-O 2.89Å; S543-V585 PolarHBondContact O-N 2.77Å |
| 544 | W | 96.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.7 | 173.5 | -76 | 85.3 | 0 | 0 | 0 | 111.4 | I530 F532 I551 M559 F569 Y582 E583 C584 F595 | I530-W544 HydrophobicContact CG2-CH2 3.67Å; I530-W544 HydrophobicContact CG2-CZ2 4.27Å; F532-W544 AromaticContact CD1-CZ2 3.87Å; F532-W544 HydrophobicContact CD1-CZ2 3.87Å; F532-W544 AromaticContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CZ-CZ2 4.06Å; F532-W544 AromaticContact CZ-NE1 3.98Å; W544-I551 HydrophobicContact CB-CB 4.23Å; W544-I551 HydrophobicContact CB-CD1 4.06Å; W544-I551 HydrophobicContact CB-CG1 4.38Å; W544-I551 PolarHBondContact O-N 3.01Å; W544-M559 VanDerWaalsContact CD1-SD 3.59Å; W544-F569 HydrophobicContact CB-CD2 4.48Å; W544-F569 HydrophobicContact CB-CE2 4.16Å; W544-F569 AromaticContact CD1-CD2 3.61Å; W544-F569 HydrophobicContact CD2-CD2 4.09Å; W544-F569 HydrophobicContact CD2-CE2 4.45Å; W544-F569 HydrophobicContact CD2-CG 4.19Å; W544-F569 AromaticContact CE2-CG 3.87Å; W544-F569 AromaticContact CG-CD2 3.83Å; W544-F569 HydrophobicContact CG-CD2 3.83Å; W544-F569 AromaticContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CG 4.41Å; W544-F569 HydrophobicContact CZ2-CB 3.75Å; W544-F569 HydrophobicContact CZ2-CG 4.23Å; W544-F569 AromaticContact NE1-CD2 3.7Å; W544-F569 AromaticContact NE1-CG 3.95Å; W544-Y582 AromaticContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CZ3-CD1 4.29Å; W544-E583 CarbonylContact C-O 3.54Å; W544-E583 WeakPolarHBondContact CA-O 3.37Å; W544-C584 HydrophobicContact CD2-CB 3.87Å; W544-C584 HydrophobicContact CE3-CB 3.78Å; W544-C584 HydrophobicContact CH2-CB 3.79Å; W544-C584 HydrophobicContact CZ2-CB 3.84Å; W544-C584 HydrophobicContact CZ3-CB 3.75Å; W544-F595 AromaticContact CH2-CE2 3.81Å; W544-F595 HydrophobicContact CH2-CE2 3.81Å; W544-F595 AromaticContact CH2-CZ 3.51Å; W544-F595 HydrophobicContact CH2-CZ 3.51Å; W544-F595 AromaticContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ3-CE2 4.23Å; W544-F595 HydrophobicContact CZ3-CZ 4.28Å |
| 545 | Y | 96.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 27% | 0.271 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.1 | 177.3 | -55.6 | -106.2 | 0 | 0 | 0 | 109.6 | K549 A550 Y582 E583 V585 | Y545-K549 CarbonylContact C-O 3.57Å; Y545-K549 WeakPolarHBondContact CA-O 3.41Å; Y545-A550 HydrophobicContact CD1-CB 3.83Å; Y545-A550 HydrophobicContact CE1-CB 3.72Å; Y545-Y582 CarbonylContact O-C 3.56Å; Y545-Y582 VanDerWaalsContact O-CA 3.27Å; Y545-Y582 WeakPolarHBondContact O-CA 3.29Å; Y545-E583 PolarHBondContact N-O 3.4Å; Y545-E583 PolarHBondContact O-N 3.47Å; Y545-V585 HydrophobicContact CD2-CG2 3.99Å; Y545-V585 HydrophobicContact CE2-CB 4.15Å; Y545-V585 HydrophobicContact CE2-CG2 3.61Å |
| 546 | L | 95.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 75 Ų | 75 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118 | 170.3 | 171.8 | 56.1 | 0 | 0 | 0 | 108.5 | G548 K549 I551 Y582 | L546-G548 PolarHBondContact O-N 2.85Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 WeakPolarHBondContact O-CB 3.45Å; L546-K549 PolarHBondContact O-N 3.31Å; L546-I551 HydrophobicContact CB-CD1 3.94Å; L546-I551 HydrophobicContact CB-CG1 4.09Å; L546-Y582 HydrophobicContact CD1-CD2 3.96Å; L546-Y582 HydrophobicContact CD1-CE2 3.65Å |
| 547 | D | 94.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 41.8 | -175 | -57.8 | -31.3 | 0 | 0 | 0 | 112.6 | K549 V581 | D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.41Å; D547-V581 PolarHBondContact N-O 2.86Å; D547-V581 PolarHBondContact OD1-N 2.79Å |
| 548 | G | 93.3 | Very high | 91.8 | Very high | 58 Ų | 58 | 75 Ų | 75 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L546 | L546-G548 PolarHBondContact O-N 2.85Š|
| 549 | K | 95.6 | Very high | 91.8 | Very high | 155 Ų | 155 | 76.6 Ų | 76.6 | 67% | 0.674 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.2 | 175.4 | -57.6 | 168.5 | -171.4 | 157.7 | 0 | 109.9 | Y545 L546 D547 I551 | Y545-K549 CarbonylContact C-O 3.57Å; Y545-K549 WeakPolarHBondContact CA-O 3.41Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 WeakPolarHBondContact O-CB 3.45Å; L546-K549 PolarHBondContact O-N 3.31Å; D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.41Å; K549-I551 PolarHBondContact O-N 3.15Å |
| 550 | A | 94.6 | Very high | 91.7 | Very high | 68 Ų | 68 | 76.3 Ų | 76.3 | 56% | 0.562 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 123.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y545 | Y545-A550 HydrophobicContact CD1-CB 3.83Å; Y545-A550 HydrophobicContact CE1-CB 3.72Å |
| 551 | I | 93.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 80.6 Ų | 80.6 | 16% | 0.159 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132.5 | 171.4 | -51.4 | -179.8 | 0 | 0 | 0 | 107.3 | W544 L546 K549 H557 F569 Y582 | W544-I551 HydrophobicContact CB-CB 4.23Å; W544-I551 HydrophobicContact CB-CD1 4.06Å; W544-I551 HydrophobicContact CB-CG1 4.38Å; W544-I551 PolarHBondContact O-N 3.01Å; L546-I551 HydrophobicContact CB-CD1 3.94Å; L546-I551 HydrophobicContact CB-CG1 4.09Å; K549-I551 PolarHBondContact O-N 3.15Å; I551-H557 HydrophobicContact CG2-CB 4.05Å; I551-F569 HydrophobicContact CD1-CE2 4.38Å; I551-F569 HydrophobicContact CD1-CZ 3.81Å; I551-F569 HydrophobicContact CG2-CE2 4.22Å; I551-F569 HydrophobicContact CG2-CZ 4.21Å; I551-Y582 HydrophobicContact CD1-CD1 3.75Å; I551-Y582 HydrophobicContact CD1-CE1 3.42Å; I551-Y582 VanDerWaalsContact CD1-CE1 3.42Å |
| 552 | R | 87.6 | Confident | 91 | Very high | 205 Ų | 205 | 77 Ų | 77 | 77% | 0.774 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 152.4 | 171.8 | -68.9 | -172.1 | 173.7 | 113.5 | 0.2 | 109.7 | D554 | R552-D554 PolarHBondContact O-N 2.69Š|
| 553 | P | 83.1 | Confident | 90.5 | Very high | 100 Ų | 100 | 81 Ų | 81 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 127.5 | 161.6 | -18.9 | 31.6 | 0 | 0 | 0 | 109.3 | M559 | P553-M559 HydrophobicContact CG-CE 4.19Š|
| 554 | D | 86.7 | Confident | 89.8 | Confident | 73 Ų | 73 | 86.8 Ų | 86.8 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | trans | -148.2 | -176.8 | 176.1 | 65.5 | 40.9 | 0 | 0 | 0 | 109.8 | R552 Y556 H557 | R552-D554 PolarHBondContact O-N 2.69Å; D554-Y556 PolarHBondContact O-N 3.18Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.2Å; D554-Y556 WeakPolarHBondContact OD1-CB 3.39Å; D554-Y556 PolarHBondContact OD1-N 2.85Å; D554-H557 VanDerWaalsContact CG-ND1 3.33Å; D554-H557 PolarHBondContact N-O 2.62Å; D554-H557 PolarHBondContact O-N 2.84Å; D554-H557 IonicContact OD1-CG 3.43Å; D554-H557 PolarHBondContact OD1-N 3.45Å; D554-H557 IonicContact OD1-ND1 3.33Å; D554-H557 PolarHBondContact OD1-ND1 2.71Å; D554-H557 VanDerWaalsContact OD1-ND1 3.1Å; D554-H557 IonicContact OD2-CE1 3.23Å; D554-H557 IonicContact OD2-CG 2.79Å; D554-H557 IonicContact OD2-ND1 3.45Å; D554-H557 PolarHBondContact OD2-ND1 2.82Å | ||
| 555 | D | 84.4 | Confident | 89.1 | Confident | 132 Ų | 132 | 88 Ų | 88 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -62.2 | -19.4 | -178.5 | -69.2 | -47.1 | 0 | 0 | 0 | 113.8 | K558 | D555-K558 VanDerWaalsContact O-CE 3.31Å; D555-K558 WeakPolarHBondContact O-CE 3.27Å; D555-K558 PolarHBondContact O-NZ 2.95Å |
| 556 | Y | 85.6 | Confident | 88.9 | Confident | 130 Ų | 130 | 86.7 Ų | 86.7 | 51% | 0.51 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -100.9 | -35.2 | 179.7 | -54.1 | -80.9 | 0 | 0 | 0 | 112.2 | D554 I571 E572 | D554-Y556 PolarHBondContact O-N 3.18Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.2Å; D554-Y556 WeakPolarHBondContact OD1-CB 3.39Å; D554-Y556 PolarHBondContact OD1-N 2.85Å; Y556-I571 WeakPolarHBondContact O-CA 3.34Å; Y556-E572 PolarHBondContact O-N 2.86Å |
| 557 | H | 92.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 86.2 Ų | 86.2 | 10% | 0.102 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 94.5 | -175 | -63.5 | 105.8 | 0 | 0 | 0 | 112.4 | I551 D554 F569 I570 H578 | I551-H557 HydrophobicContact CG2-CB 4.05Å; D554-H557 VanDerWaalsContact CG-ND1 3.33Å; D554-H557 PolarHBondContact N-O 2.62Å; D554-H557 PolarHBondContact O-N 2.84Å; D554-H557 IonicContact OD1-CG 3.43Å; D554-H557 PolarHBondContact OD1-N 3.45Å; D554-H557 IonicContact OD1-ND1 3.33Å; D554-H557 PolarHBondContact OD1-ND1 2.71Å; D554-H557 VanDerWaalsContact OD1-ND1 3.1Å; D554-H557 IonicContact OD2-CE1 3.23Å; D554-H557 IonicContact OD2-CG 2.79Å; D554-H557 IonicContact OD2-ND1 3.45Å; D554-H557 PolarHBondContact OD2-ND1 2.82Å; H557-F569 HydrophobicContact CB-CE2 4.42Å; H557-F569 AromaticContact CD2-CZ 3.63Å; H557-I570 WeakPolarHBondContact CA-O 3.4Å; H557-H578 AromaticContact CE1-CD2 3.97Å; H557-H578 AromaticContact CE1-NE2 3.63Å; H557-H578 AromaticContact NE2-CD2 3.39Å; H557-H578 PolarHBondContact NE2-CD2 3.24Å; H557-H578 AromaticContact NE2-NE2 3.47Å; H557-H578 PolarHBondContact NE2-NE2 2.66Å |
| 558 | K | 90.6 | Very high | 88.7 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 34% | 0.343 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.7 | -174 | -77 | 153.3 | 174.4 | 149.7 | 0 | 111.6 | D555 I570 E572 | D555-K558 VanDerWaalsContact O-CE 3.31Å; D555-K558 WeakPolarHBondContact O-CE 3.27Å; D555-K558 PolarHBondContact O-NZ 2.95Å; K558-I570 HydrophobicContact CB-CB 4.31Å; K558-I570 PolarHBondContact N-O 3.27Å; K558-I570 PolarHBondContact O-N 2.92Å; K558-E572 IonicContact NZ-OE2 2.99Å; K558-E572 PolarHBondContact NZ-OE2 3.01Å |
| 559 | M | 90.7 | Very high | 88.8 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.6 | 171.1 | -71.2 | -161.1 | -69.6 | 0 | 0 | 110.6 | I542 W544 P553 F569 | I542-M559 HydrophobicContact CG2-SD 4.28Å; W544-M559 VanDerWaalsContact CD1-SD 3.59Å; P553-M559 HydrophobicContact CG-CE 4.19Å; M559-F569 HydrophobicContact CG-CD2 3.89Å |
| 560 | L | 89.1 | Confident | 88.8 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.8 | 176.3 | -57.1 | 179.3 | 0 | 0 | 0 | 110.2 | H567 S568 I570 | L560-H567 WeakPolarHBondContact O-CA 3.35Å; L560-S568 PolarHBondContact N-O 2.87Å; L560-S568 PolarHBondContact O-N 2.89Å; L560-I570 HydrophobicContact CD1-CD1 3.73Å; L560-I570 HydrophobicContact CG-CD1 4.41Å |
| 561 | V | 88.3 | Confident | 88.8 | Confident | 112 Ų | 112 | 70 Ų | 70 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.2 | 165.6 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 562 | C | 82.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | trans | -108.8 | 172 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | M566 | C562-M566 CarbonylContact C-O 3.6Å; C562-M566 WeakPolarHBondContact CA-O 3.24Å; C562-M566 HydrophobicContact CB-CB 4.07Å; C562-M566 WeakPolarHBondContact CB-O 3.18Å; C562-M566 PolarHBondContact N-O 2.97Å | ||
| 563 | E | 82.9 | Confident | 88.9 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -55.8 | 154.6 | 179.2 | -61 | -174.3 | -168.5 | 0 | 0 | 113.2 | N457 G565 M566 | N457-E563 PolarHBondContact ND2-OE1 2.95Å; E563-G565 VanDerWaalsContact C-N 3.27Å; E563-G565 PolarHBondContact O-N 2.89Å; E563-M566 WeakPolarHBondContact O-CB 3.46Å; E563-M566 PolarHBondContact O-N 3.18Å |
| 564 | K | 81.7 | Confident | 89.4 | Confident | 164 Ų | 164 | 63 Ų | 63 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | 60.5 | 29.6 | 166.4 | -53.5 | 173.7 | -176.6 | 85.5 | 0 | 114.5 | K533 | K533-K564 WeakPolarHBondContact CE-O 3.49Å; K533-K564 PolarHBondContact NZ-O 2.79Å |
| 565 | G | 80.4 | Confident | 89.6 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | 77.7 | 20 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K533 V534 E563 H567 | K533-G565 WeakPolarHBondContact CA-O 3.39Å; K533-G565 WeakPolarHBondContact CG-O 3.23Å; V534-G565 PolarHBondContact N-O 2.82Å; V534-G565 VanDerWaalsContact N-O 3.08Å; E563-G565 VanDerWaalsContact C-N 3.27Å; E563-G565 PolarHBondContact O-N 2.89Å; G565-H567 PolarHBondContact O-CD2 2.88Å; G565-H567 VanDerWaalsContact O-CD2 3.3Å |
| 566 | M | 91.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141 | 173 | -167.4 | 69.5 | -163.5 | 0 | 0 | 109.6 | D531 K533 C562 E563 | D531-M566 HydrophobicContact CB-CE 3.64Å; K533-M566 HydrophobicContact CB-SD 3.94Å; K533-M566 HydrophobicContact CG-SD 4.31Å; C562-M566 CarbonylContact C-O 3.6Å; C562-M566 WeakPolarHBondContact CA-O 3.24Å; C562-M566 HydrophobicContact CB-CB 4.07Å; C562-M566 WeakPolarHBondContact CB-O 3.18Å; C562-M566 PolarHBondContact N-O 2.97Å; E563-M566 WeakPolarHBondContact O-CB 3.46Å; E563-M566 PolarHBondContact O-N 3.18Å |
| 567 | H | 93.9 | Very high | 90.2 | Very high | 19 Ų | 19 | 60 Ų | 60 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.2 | -178.4 | -62.7 | -102.4 | 0 | 0 | 0 | 110.7 | F532 I542 L560 G565 | F532-H567 HydrophobicContact CD1-CB 4.07Å; F532-H567 WeakPolarHBondContact CD1-O 3.32Å; F532-H567 HydrophobicContact CD2-CB 4.11Å; F532-H567 HydrophobicContact CE1-CB 3.55Å; F532-H567 HydrophobicContact CE2-CB 3.63Å; F532-H567 HydrophobicContact CG-CB 4.33Å; F532-H567 HydrophobicContact CZ-CB 3.32Å; F532-H567 PolarHBondContact N-O 2.95Å; F532-H567 PolarHBondContact O-N 2.95Å; F532-H567 VanDerWaalsContact O-O 3.1Å; I542-H567 VanDerWaalsContact CD1-CE1 3.45Å; I542-H567 WeakPolarHBondContact CD1-CE1 3.43Å; I542-H567 VanDerWaalsContact CD1-ND1 3.33Å; I542-H567 WeakPolarHBondContact CD1-ND1 3.38Å; L560-H567 WeakPolarHBondContact O-CA 3.35Å; G565-H567 PolarHBondContact O-CD2 2.88Å; G565-H567 VanDerWaalsContact O-CD2 3.3Å |
| 568 | S | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.8 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 110 | R529 I530 D531 L560 | R529-S568 PolarHBondContact NE-OG 2.72Å; R529-S568 PolarHBondContact NH2-OG 2.69Å; I530-S568 WeakPolarHBondContact O-CA 3.11Å; D531-S568 VanDerWaalsContact OD1-CB 3.25Å; D531-S568 WeakPolarHBondContact OD1-CB 3.36Å; D531-S568 PolarHBondContact OD1-OG 2.83Å; L560-S568 PolarHBondContact N-O 2.87Å; L560-S568 PolarHBondContact O-N 2.89Å |
| 569 | F | 95.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.3 | 165.4 | 174.9 | -90 | 0 | 0 | 0 | 108.2 | I530 F532 W544 I551 H557 M559 I571 Y582 | I530-F569 HydrophobicContact CB-CB 4.33Å; I530-F569 HydrophobicContact CB-CD1 4.44Å; I530-F569 HydrophobicContact CD1-CD1 3.98Å; I530-F569 HydrophobicContact CD1-CE1 4.44Å; I530-F569 HydrophobicContact CG1-CD1 4.38Å; I530-F569 PolarHBondContact N-O 3.39Å; I530-F569 PolarHBondContact O-N 3.07Å; F532-F569 HydrophobicContact CE1-CB 4.42Å; W544-F569 HydrophobicContact CB-CD2 4.48Å; W544-F569 HydrophobicContact CB-CE2 4.16Å; W544-F569 AromaticContact CD1-CD2 3.61Å; W544-F569 HydrophobicContact CD2-CD2 4.09Å; W544-F569 HydrophobicContact CD2-CE2 4.45Å; W544-F569 HydrophobicContact CD2-CG 4.19Å; W544-F569 AromaticContact CE2-CG 3.87Å; W544-F569 AromaticContact CG-CD2 3.83Å; W544-F569 HydrophobicContact CG-CD2 3.83Å; W544-F569 AromaticContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CG 4.41Å; W544-F569 HydrophobicContact CZ2-CB 3.75Å; W544-F569 HydrophobicContact CZ2-CG 4.23Å; W544-F569 AromaticContact NE1-CD2 3.7Å; W544-F569 AromaticContact NE1-CG 3.95Å; I551-F569 HydrophobicContact CD1-CE2 4.38Å; I551-F569 HydrophobicContact CD1-CZ 3.81Å; I551-F569 HydrophobicContact CG2-CE2 4.22Å; I551-F569 HydrophobicContact CG2-CZ 4.21Å; H557-F569 HydrophobicContact CB-CE2 4.42Å; H557-F569 AromaticContact CD2-CZ 3.63Å; M559-F569 HydrophobicContact CG-CD2 3.89Å; F569-I571 HydrophobicContact CD1-CG1 4.42Å; F569-I571 HydrophobicContact CE1-CD1 4.11Å; F569-I571 HydrophobicContact CE1-CG1 3.73Å; F569-I571 HydrophobicContact CZ-CG1 4.44Å; F569-Y582 HydrophobicContact CE1-CD1 4.2Å; F569-Y582 AromaticContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CZ-CE1 4.02Å |
| 570 | I | 94.6 | Very high | 90.6 | Very high | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.9 | -171.4 | -62 | 175.3 | 0 | 0 | 0 | 109.2 | C528 R529 H557 K558 L560 | C528-I570 WeakPolarHBondContact O-CA 3.23Å; R529-I570 HydrophobicContact CB-CG1 4.34Å; R529-I570 HydrophobicContact CG-CG1 4.11Å; H557-I570 WeakPolarHBondContact CA-O 3.4Å; K558-I570 HydrophobicContact CB-CB 4.31Å; K558-I570 PolarHBondContact N-O 3.27Å; K558-I570 PolarHBondContact O-N 2.92Å; L560-I570 HydrophobicContact CD1-CD1 3.73Å; L560-I570 HydrophobicContact CG-CD1 4.41Å |
| 571 | I | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.9 | 169 | -50.6 | 174.1 | 0 | 0 | 0 | 106.2 | F527 C528 Y556 F569 V574 H578 Y582 L599 | F527-I571 CarbonylContact C-O 3.46Å; F527-I571 VanDerWaalsContact CA-O 3.31Å; F527-I571 WeakPolarHBondContact CA-O 3.35Å; C528-I571 HydrophobicContact CB-CB 4.14Å; C528-I571 HydrophobicContact CB-CD1 4.32Å; C528-I571 HydrophobicContact CB-CG1 4.41Å; C528-I571 PolarHBondContact N-O 3.3Å; C528-I571 PolarHBondContact O-N 3.37Å; Y556-I571 WeakPolarHBondContact O-CA 3.34Å; F569-I571 HydrophobicContact CD1-CG1 4.42Å; F569-I571 HydrophobicContact CE1-CD1 4.11Å; F569-I571 HydrophobicContact CE1-CG1 3.73Å; F569-I571 HydrophobicContact CZ-CG1 4.44Å; I571-V574 HydrophobicContact CB-CG2 4.24Å; I571-V574 HydrophobicContact CG2-CG2 4.1Å; I571-H578 HydrophobicContact CD1-CB 4.29Å; I571-Y582 HydrophobicContact CD1-CE1 4.42Å; I571-Y582 WeakPolarHBondContact CD1-OH 3.39Å; I571-L599 HydrophobicContact CD1-CD2 3.76Å |
| 572 | E | 91.4 | Very high | 91.4 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -71 | -38.4 | -171.6 | -171.6 | 163.1 | 160.3 | 0 | 0 | 113.1 | F527 Y556 K558 | F527-E572 WeakPolarHBondContact CA-O 3.36Å; F527-E572 WeakPolarHBondContact CB-O 3.32Å; Y556-E572 PolarHBondContact O-N 2.86Å; K558-E572 IonicContact NZ-OE2 2.99Å; K558-E572 PolarHBondContact NZ-OE2 3.01Å |
| 573 | I | 91.1 | Very high | 92.1 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -133 | 104.2 | 173.8 | -53.6 | 179 | 0 | 0 | 0 | 108.3 | ||
| 574 | V | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -68.1 | 139.4 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | V522 G525 R526 C528 I571 V601 | V522-V574 HydrophobicContact CG1-CB 4.46Å; V522-V574 HydrophobicContact CG1-CG1 4.43Å; V522-V574 HydrophobicContact CG1-CG2 4.09Å; G525-V574 PolarHBondContact N-O 2.96Å; R526-V574 WeakPolarHBondContact O-CB 3.31Å; R526-V574 WeakPolarHBondContact O-CG2 3.37Å; R526-V574 PolarHBondContact O-N 3.28Å; C528-V574 HydrophobicContact CB-CG2 3.59Å; I571-V574 HydrophobicContact CB-CG2 4.24Å; I571-V574 HydrophobicContact CG2-CG2 4.1Å; V574-V601 HydrophobicContact CG1-CB 4.3Å; V574-V601 HydrophobicContact CG1-CG1 3.74Å; V574-V601 HydrophobicContact CG1-CG2 3.54Å | ||
| 575 | T | 91.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | trans | -138.2 | 165.2 | 174.6 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | E524 H577 H578 | E524-T575 VanDerWaalsContact OE1-CA 3.24Å; E524-T575 WeakPolarHBondContact OE1-CA 3.38Å; T575-H577 PolarHBondContact O-N 2.96Å; T575-H577 PolarHBondContact OG1-N 3Å; T575-H578 PolarHBondContact N-ND1 2.89Å; T575-H578 VanDerWaalsContact N-ND1 3.16Å; T575-H578 WeakPolarHBondContact O-CB 3.42Å; T575-H578 PolarHBondContact O-N 3.41Å; T575-H578 PolarHBondContact OG1-CE1 2.74Å; T575-H578 PolarHBondContact OG1-ND1 3.3Å | ||
| 576 | V | 90.2 | Very high | 94.3 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -52.8 | -21.6 | 175.7 | -70.2 | 0 | 0 | 0 | 0 | 114.7 | E524 H578 A579 A603 | E524-V576 PolarHBondContact OE1-N 2.87Å; V576-H578 VanDerWaalsContact C-N 3.3Å; V576-H578 PolarHBondContact O-N 2.88Å; V576-A579 PolarHBondContact O-N 2.63Å; V576-A603 HydrophobicContact CG1-CB 3.71Å |
| 577 | H | 91.4 | Very high | 94.5 | Very high | 161 Ų | 161 | 39.9 Ų | 39.9 | 75% | 0.745 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -77.7 | -10.7 | 175.7 | -63.2 | -47.4 | 0 | 0 | 0 | 114.6 | T575 | T575-H577 PolarHBondContact O-N 2.96Å; T575-H577 PolarHBondContact OG1-N 3Å |
| 578 | H | 93.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -93 | 2.1 | 174.5 | -60.1 | 93.1 | 0 | 0 | 0 | 112.6 | H557 I571 T575 V576 Y582 L599 | H557-H578 AromaticContact CE1-CD2 3.97Å; H557-H578 AromaticContact CE1-NE2 3.63Å; H557-H578 AromaticContact NE2-CD2 3.39Å; H557-H578 PolarHBondContact NE2-CD2 3.24Å; H557-H578 AromaticContact NE2-NE2 3.47Å; H557-H578 PolarHBondContact NE2-NE2 2.66Å; I571-H578 HydrophobicContact CD1-CB 4.29Å; T575-H578 PolarHBondContact N-ND1 2.89Å; T575-H578 VanDerWaalsContact N-ND1 3.16Å; T575-H578 WeakPolarHBondContact O-CB 3.42Å; T575-H578 PolarHBondContact O-N 3.41Å; T575-H578 PolarHBondContact OG1-CE1 2.74Å; T575-H578 PolarHBondContact OG1-ND1 3.3Å; V576-H578 VanDerWaalsContact C-N 3.3Å; V576-H578 PolarHBondContact O-N 2.88Å; H578-Y582 WeakPolarHBondContact O-CE2 3.49Å; H578-Y582 PolarHBondContact O-OH 2.8Å; H578-L599 WeakPolarHBondContact O-CD2 3.4Å |
| 579 | A | 94.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | trans | -76.4 | 136.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V576 L599 V601 | V576-A579 PolarHBondContact O-N 2.63Å; A579-L599 WeakPolarHBondContact CA-O 3.44Å; A579-V601 HydrophobicContact CB-CB 4.05Å; A579-V601 HydrophobicContact CB-CG2 3.88Å | ||
| 580 | G | 95.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -164.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L599 | G580-L599 PolarHBondContact N-O 3.2Å; G580-L599 PolarHBondContact O-N 2.85Å |
| 581 | V | 97.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 42% | 0.418 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.3 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | D547 | D547-V581 PolarHBondContact N-O 2.86Å; D547-V581 PolarHBondContact OD1-N 2.79Å |
| 582 | Y | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.4 | 175.6 | -76.5 | -107.1 | 0 | 0 | 0 | 110.3 | W544 Y545 L546 I551 F569 I571 H578 T596 M597 L599 | W544-Y582 AromaticContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CZ3-CD1 4.29Å; Y545-Y582 CarbonylContact O-C 3.56Å; Y545-Y582 VanDerWaalsContact O-CA 3.27Å; Y545-Y582 WeakPolarHBondContact O-CA 3.29Å; L546-Y582 HydrophobicContact CD1-CD2 3.96Å; L546-Y582 HydrophobicContact CD1-CE2 3.65Å; I551-Y582 HydrophobicContact CD1-CD1 3.75Å; I551-Y582 HydrophobicContact CD1-CE1 3.42Å; I551-Y582 VanDerWaalsContact CD1-CE1 3.42Å; F569-Y582 HydrophobicContact CE1-CD1 4.2Å; F569-Y582 AromaticContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CZ-CE1 4.02Å; I571-Y582 HydrophobicContact CD1-CE1 4.42Å; I571-Y582 WeakPolarHBondContact CD1-OH 3.39Å; H578-Y582 WeakPolarHBondContact O-CE2 3.49Å; H578-Y582 PolarHBondContact O-OH 2.8Å; Y582-T596 CarbonylContact O-C 3.5Å; Y582-T596 VanDerWaalsContact O-CA 3.29Å; Y582-T596 WeakPolarHBondContact O-CA 3.27Å; Y582-M597 PolarHBondContact N-O 2.92Å; Y582-M597 PolarHBondContact O-N 3.44Å; Y582-L599 HydrophobicContact CD2-CB 3.89Å; Y582-L599 HydrophobicContact CE2-CB 3.71Å; Y582-L599 HydrophobicContact CE2-CD2 3.81Å; Y582-L599 HydrophobicContact CE2-CG 4.34Å |
| 583 | E | 97.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.7 | 168.7 | -174.7 | -173.8 | 172.1 | 0 | 0 | 109.5 | W544 Y545 V585 K594 F595 T596 | W544-E583 CarbonylContact C-O 3.54Å; W544-E583 WeakPolarHBondContact CA-O 3.37Å; Y545-E583 PolarHBondContact N-O 3.4Å; Y545-E583 PolarHBondContact O-N 3.47Å; E583-V585 HydrophobicContact CG-CG2 4.1Å; E583-K594 VanDerWaalsContact OE1-CD 3.29Å; E583-K594 WeakPolarHBondContact OE1-CD 3.34Å; E583-K594 WeakPolarHBondContact OE1-CE 3.29Å; E583-K594 IonicContact OE1-NZ 3.82Å; E583-K594 PolarHBondContact OE1-NZ 2.85Å; E583-F595 WeakPolarHBondContact CA-O 3.47Å; E583-T596 HydrophobicContact CB-CG2 4.09Å; E583-T596 HydrophobicContact CG-CG2 4.01Å |
| 584 | C | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.8 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | W544 K594 F595 | W544-C584 HydrophobicContact CD2-CB 3.87Å; W544-C584 HydrophobicContact CE3-CB 3.78Å; W544-C584 HydrophobicContact CH2-CB 3.79Å; W544-C584 HydrophobicContact CZ2-CB 3.84Å; W544-C584 HydrophobicContact CZ3-CB 3.75Å; C584-K594 VanDerWaalsContact O-CA 3.32Å; C584-K594 WeakPolarHBondContact O-CA 3.49Å; C584-F595 HydrophobicContact CB-CD1 3.82Å; C584-F595 HydrophobicContact CB-CD2 4.31Å; C584-F595 HydrophobicContact CB-CE1 3.45Å; C584-F595 VanDerWaalsContact CB-CE1 3.45Å; C584-F595 HydrophobicContact CB-CE2 3.97Å; C584-F595 HydrophobicContact CB-CG 4.24Å; C584-F595 HydrophobicContact CB-CZ 3.54Å; C584-F595 PolarHBondContact N-O 2.9Å; C584-F595 PolarHBondContact O-N 3.39Å |
| 585 | V | 96.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.5 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | I542 S543 Y545 E583 E592 K594 | I542-V585 WeakPolarHBondContact CA-O 3.49Å; S543-V585 PolarHBondContact N-O 2.89Å; S543-V585 PolarHBondContact O-N 2.77Å; Y545-V585 HydrophobicContact CD2-CG2 3.99Å; Y545-V585 HydrophobicContact CE2-CB 4.15Å; Y545-V585 HydrophobicContact CE2-CG2 3.61Å; E583-V585 HydrophobicContact CG-CG2 4.1Å; V585-E592 HydrophobicContact CG1-CG 3.69Å; V585-K594 HydrophobicContact CB-CG 4.47Å; V585-K594 HydrophobicContact CG1-CG 4.19Å; V585-K594 HydrophobicContact CG2-CD 4.22Å; V585-K594 HydrophobicContact CG2-CG 4.11Å |
| 586 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P511 F513 V534 P540 D541 I542 E592 G593 | P511-A586 HydrophobicContact CB-CB 3.77Å; P511-A586 WeakPolarHBondContact CG-O 3.36Å; F513-A586 HydrophobicContact CE1-CB 4.23Å; F513-A586 HydrophobicContact CE2-CB 4.07Å; F513-A586 HydrophobicContact CZ-CB 3.55Å; V534-A586 HydrophobicContact CG2-CB 3.92Å; P540-A586 HydrophobicContact CB-CB 4.05Å; P540-A586 HydrophobicContact CG-CB 4.46Å; D541-A586 CarbonylContact O-C 3.51Å; D541-A586 VanDerWaalsContact O-CA 3.29Å; D541-A586 WeakPolarHBondContact O-CA 3.38Å; I542-A586 HydrophobicContact CG1-CB 4.38Å; A586-E592 CarbonylContact O-C 3.58Å; A586-E592 WeakPolarHBondContact O-CA 3.26Å; A586-G593 PolarHBondContact N-O 3.35Å; A586-G593 PolarHBondContact O-N 2.84Å |
| 587 | K | 96.6 | Very high | 96 | Very high | 116 Ų | 116 | 50.5 Ų | 50.5 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.2 | -170.6 | -161.6 | -171.3 | -171.4 | 95.2 | 0 | 112.3 | P540 D541 E592 | P540-K587 CarbonylContact C-O 3.53Å; P540-K587 VanDerWaalsContact CA-O 3.29Å; P540-K587 WeakPolarHBondContact CA-O 3.31Å; D541-K587 PolarHBondContact N-O 2.93Å; D541-K587 PolarHBondContact O-N 2.78Å; K587-E592 HydrophobicContact CB-CG 4.41Å; K587-E592 HydrophobicContact CG-CB 4.38Å; K587-E592 HydrophobicContact CG-CG 4.28Å; K587-E592 IonicContact NZ-OE2 2.88Å; K587-E592 PolarHBondContact NZ-OE2 2.85Å |
| 588 | N | 95.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | -179.5 | 169.9 | 75.4 | 11.4 | 0 | 0 | 0 | 111.5 | F509 P511 L537 P538 A590 G591 | F509-N588 PolarHBondContact O-ND2 3.37Å; P511-N588 WeakPolarHBondContact CD-OD1 2.91Å; P511-N588 HydrophobicContact CG-CB 4.14Å; L537-N588 PolarHBondContact N-ND2 2.95Å; L537-N588 PolarHBondContact O-ND2 3.02Å; P538-N588 WeakPolarHBondContact O-CB 3.43Å; P538-N588 PolarHBondContact O-ND2 3.1Å; N588-A590 PolarHBondContact O-N 3.34Å; N588-A590 WeakPolarHBondContact OD1-CA 3.49Å; N588-A590 WeakPolarHBondContact OD1-CB 3.23Å; N588-A590 PolarHBondContact OD1-N 3.34Å; N588-G591 PolarHBondContact N-O 2.84Å; N588-G591 PolarHBondContact O-N 3.38Å; N588-G591 VanDerWaalsContact O-O 3.07Å; N588-G591 PolarHBondContact OD1-N 2.91Å; N588-G591 VanDerWaalsContact OD1-N 3.13Å |
| 589 | R | 95.6 | Very high | 96.4 | Very high | 162 Ų | 162 | 48 Ų | 48 | 61% | 0.611 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -8.5 | -179.2 | 80.3 | -172.8 | 176.8 | -162.1 | -3.9 | 115.2 | E506 C508 P538 | E506-R589 IonicContact OE2-CZ 2.62Å; E506-R589 IonicContact OE2-NH1 3.45Å; E506-R589 IonicContact OE2-NH2 3.45Å; E506-R589 PolarHBondContact OE2-NH2 3.22Å; C508-R589 PolarHBondContact SG-NE 3.29Å; C508-R589 PolarHBondContact SG-NH2 3.31Å; P538-R589 HydrophobicContact CG-CG 3.99Å |
| 590 | A | 93.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C508 N588 | C508-A590 HydrophobicContact CB-CB 3.93Å; N588-A590 PolarHBondContact O-N 3.34Å; N588-A590 WeakPolarHBondContact OD1-CA 3.49Å; N588-A590 WeakPolarHBondContact OD1-CB 3.23Å; N588-A590 PolarHBondContact OD1-N 3.34Å |
| 591 | G | 94.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -162.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P511 N588 | P511-G591 WeakPolarHBondContact CD-O 3.47Å; N588-G591 PolarHBondContact N-O 2.84Å; N588-G591 PolarHBondContact O-N 3.38Å; N588-G591 VanDerWaalsContact O-O 3.07Å; N588-G591 PolarHBondContact OD1-N 2.91Å; N588-G591 VanDerWaalsContact OD1-N 3.13Å |
| 592 | E | 97.1 | Very high | 95.9 | Very high | 87 Ų | 87 | 50.5 Ų | 50.5 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.3 | -176 | -168.6 | 172.3 | 121.3 | 0 | 0 | 109.7 | V585 A586 K587 K594 | V585-E592 HydrophobicContact CG1-CG 3.69Å; A586-E592 CarbonylContact O-C 3.58Å; A586-E592 WeakPolarHBondContact O-CA 3.26Å; K587-E592 HydrophobicContact CB-CG 4.41Å; K587-E592 HydrophobicContact CG-CB 4.38Å; K587-E592 HydrophobicContact CG-CG 4.28Å; K587-E592 IonicContact NZ-OE2 2.88Å; K587-E592 PolarHBondContact NZ-OE2 2.85Å; E592-K594 WeakPolarHBondContact OE1-CE 3.45Å; E592-K594 IonicContact OE1-NZ 3.71Å |
| 593 | G | 96.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | A586 | A586-G593 PolarHBondContact N-O 3.35Å; A586-G593 PolarHBondContact O-N 2.84Å |
| 594 | K | 97.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.9 | -173.6 | -62.6 | -173.1 | 160.9 | -141.7 | 0 | 112.7 | E583 C584 V585 E592 | E583-K594 VanDerWaalsContact OE1-CD 3.29Å; E583-K594 WeakPolarHBondContact OE1-CD 3.34Å; E583-K594 WeakPolarHBondContact OE1-CE 3.29Å; E583-K594 IonicContact OE1-NZ 3.82Å; E583-K594 PolarHBondContact OE1-NZ 2.85Å; C584-K594 VanDerWaalsContact O-CA 3.32Å; C584-K594 WeakPolarHBondContact O-CA 3.49Å; V585-K594 HydrophobicContact CB-CG 4.47Å; V585-K594 HydrophobicContact CG1-CG 4.19Å; V585-K594 HydrophobicContact CG2-CD 4.22Å; V585-K594 HydrophobicContact CG2-CG 4.11Å; E592-K594 WeakPolarHBondContact OE1-CE 3.45Å; E592-K594 IonicContact OE1-NZ 3.71Å |
| 595 | F | 97.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 159.8 | 157.9 | 74.8 | -98.7 | 0 | 0 | 0 | 111.3 | F513 I516 P517 F532 W544 E583 C584 M597 | F513-F595 AromaticContact CD1-CD1 3.62Å; F513-F595 HydrophobicContact CD1-CD1 3.62Å; F513-F595 AromaticContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD2-CB 4.44Å; F513-F595 AromaticContact CD2-CD1 3.75Å; F513-F595 HydrophobicContact CD2-CD1 3.75Å; F513-F595 AromaticContact CE1-CD1 3.6Å; F513-F595 HydrophobicContact CE1-CD1 3.6Å; F513-F595 AromaticContact CE1-CE1 3.52Å; F513-F595 HydrophobicContact CE1-CE1 3.52Å; F513-F595 AromaticContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CE1 4.42Å; F513-F595 AromaticContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CE1 4.31Å; F513-F595 AromaticContact CZ-CD1 3.63Å; F513-F595 HydrophobicContact CZ-CD1 3.63Å; F513-F595 AromaticContact CZ-CE1 3.88Å; F513-F595 HydrophobicContact CZ-CE1 3.88Å; I516-F595 HydrophobicContact CD1-CB 3.81Å; I516-F595 HydrophobicContact CG1-CB 3.99Å; I516-F595 HydrophobicContact CG1-CD1 4.25Å; I516-F595 HydrophobicContact CG1-CG 4.14Å; I516-F595 HydrophobicContact CG2-CB 3.94Å; I516-F595 HydrophobicContact CG2-CD2 3.71Å; I516-F595 HydrophobicContact CG2-CE2 4.32Å; I516-F595 HydrophobicContact CG2-CG 3.85Å; P517-F595 HydrophobicContact CG-CE2 3.82Å; P517-F595 HydrophobicContact CG-CZ 4.01Å; F532-F595 HydrophobicContact CB-CE1 4.01Å; F532-F595 HydrophobicContact CB-CZ 3.97Å; F532-F595 AromaticContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CZ 4.37Å; F532-F595 HydrophobicContact CG-CE1 4.04Å; F532-F595 HydrophobicContact CG-CZ 4.08Å; W544-F595 AromaticContact CH2-CE2 3.81Å; W544-F595 HydrophobicContact CH2-CE2 3.81Å; W544-F595 AromaticContact CH2-CZ 3.51Å; W544-F595 HydrophobicContact CH2-CZ 3.51Å; W544-F595 AromaticContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ3-CE2 4.23Å; W544-F595 HydrophobicContact CZ3-CZ 4.28Å; E583-F595 WeakPolarHBondContact CA-O 3.47Å; C584-F595 HydrophobicContact CB-CD1 3.82Å; C584-F595 HydrophobicContact CB-CD2 4.31Å; C584-F595 HydrophobicContact CB-CE1 3.45Å; C584-F595 VanDerWaalsContact CB-CE1 3.45Å; C584-F595 HydrophobicContact CB-CE2 3.97Å; C584-F595 HydrophobicContact CB-CG 4.24Å; C584-F595 HydrophobicContact CB-CZ 3.54Å; C584-F595 PolarHBondContact N-O 2.9Å; C584-F595 PolarHBondContact O-N 3.39Å; F595-M597 HydrophobicContact CE2-CG 4.19Å |
| 596 | T | 97.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.1 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 110 | Y582 E583 | Y582-T596 CarbonylContact O-C 3.5Å; Y582-T596 VanDerWaalsContact O-CA 3.29Å; Y582-T596 WeakPolarHBondContact O-CA 3.27Å; E583-T596 HydrophobicContact CB-CG2 4.09Å; E583-T596 HydrophobicContact CG-CG2 4.01Å |
| 597 | M | 97.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.8 | 172.8 | 63.4 | 109.8 | 72.9 | 0 | 0 | 110.2 | P517 P518 D519 L520 I530 Y582 F595 | P517-M597 HydrophobicContact CB-CE 3.93Å; P517-M597 HydrophobicContact CG-CE 3.81Å; P518-M597 VanDerWaalsContact O-CE 3.26Å; P518-M597 WeakPolarHBondContact O-CE 3.42Å; D519-M597 WeakPolarHBondContact OD1-CA 3.45Å; L520-M597 HydrophobicContact CD1-CE 3.97Å; L520-M597 HydrophobicContact CG-CE 4.01Å; I530-M597 HydrophobicContact CD1-CE 4.1Å; I530-M597 HydrophobicContact CD1-SD 3.92Å; I530-M597 HydrophobicContact CG1-CE 4.34Å; I530-M597 HydrophobicContact CG2-CE 3.71Å; Y582-M597 PolarHBondContact N-O 2.92Å; Y582-M597 PolarHBondContact O-N 3.44Å; F595-M597 HydrophobicContact CE2-CG 4.19Å |
| 598 | R | 97.1 | Very high | 90.8 | Very high | 130 Ų | 130 | 70.2 Ų | 70.2 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.9 | 177.4 | -179.8 | 175.3 | 169.7 | 156.5 | -0.6 | 111 | D519 L520 D600 | D519-R598 CarbonylContact C-O 3.47Å; D519-R598 WeakPolarHBondContact CA-O 3.31Å; D519-R598 HydrophobicContact CB-CB 4.2Å; D519-R598 PolarHBondContact OD1-N 2.9Å; L520-R598 PolarHBondContact N-O 3.32Å; R598-D600 IonicContact CZ-OD1 3.65Å; R598-D600 VanDerWaalsContact CZ-OD1 3.26Å; R598-D600 IonicContact CZ-OD2 2.72Å; R598-D600 IonicContact NE-OD1 3.79Å; R598-D600 PolarHBondContact NE-OD1 2.87Å; R598-D600 IonicContact NE-OD2 2.74Å; R598-D600 PolarHBondContact NE-OD2 3.42Å; R598-D600 IonicContact NH2-OD1 3.28Å; R598-D600 PolarHBondContact NH2-OD1 3.49Å; R598-D600 IonicContact NH2-OD2 3.45Å; R598-D600 PolarHBondContact NH2-OD2 2.77Å |
| 599 | L | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.7 | 167.2 | 177.9 | 58 | 0 | 0 | 0 | 108.7 | L520 V522 I571 H578 A579 G580 Y582 V601 | L520-L599 HydrophobicContact CB-CD1 3.9Å; L520-L599 WeakPolarHBondContact O-CA 3.42Å; V522-L599 HydrophobicContact CB-CD1 4.29Å; V522-L599 HydrophobicContact CG2-CD1 3.74Å; I571-L599 HydrophobicContact CD1-CD2 3.76Å; H578-L599 WeakPolarHBondContact O-CD2 3.4Å; A579-L599 WeakPolarHBondContact CA-O 3.44Å; G580-L599 PolarHBondContact N-O 3.2Å; G580-L599 PolarHBondContact O-N 2.85Å; Y582-L599 HydrophobicContact CD2-CB 3.89Å; Y582-L599 HydrophobicContact CE2-CB 3.71Å; Y582-L599 HydrophobicContact CE2-CD2 3.81Å; Y582-L599 HydrophobicContact CE2-CG 4.34Å; L599-V601 HydrophobicContact CG-CG2 4.45Å |
| 600 | D | 95.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.7 | 169.6 | -75.7 | -57 | 0 | 0 | 0 | 110.2 | L520 T521 V522 R598 | L520-D600 PolarHBondContact O-N 3.03Å; T521-D600 CarbonylContact C-O 3.58Å; T521-D600 VanDerWaalsContact CA-O 3.29Å; T521-D600 WeakPolarHBondContact CA-O 3.29Å; T521-D600 HydrophobicContact CG2-CB 4.13Å; V522-D600 PolarHBondContact N-O 2.86Å; R598-D600 IonicContact CZ-OD1 3.65Å; R598-D600 VanDerWaalsContact CZ-OD1 3.26Å; R598-D600 IonicContact CZ-OD2 2.72Å; R598-D600 IonicContact NE-OD1 3.79Å; R598-D600 PolarHBondContact NE-OD1 2.87Å; R598-D600 IonicContact NE-OD2 2.74Å; R598-D600 PolarHBondContact NE-OD2 3.42Å; R598-D600 IonicContact NH2-OD1 3.28Å; R598-D600 PolarHBondContact NH2-OD1 3.49Å; R598-D600 IonicContact NH2-OD2 3.45Å; R598-D600 PolarHBondContact NH2-OD2 2.77Å |
| 601 | V | 94.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.6 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V522 E524 V574 A579 L599 A603 | V522-V601 CarbonylContact O-C 3.53Å; V522-V601 WeakPolarHBondContact O-CA 3.38Å; E524-V601 HydrophobicContact CB-CG1 4.1Å; V574-V601 HydrophobicContact CG1-CB 4.3Å; V574-V601 HydrophobicContact CG1-CG1 3.74Å; V574-V601 HydrophobicContact CG1-CG2 3.54Å; A579-V601 HydrophobicContact CB-CB 4.05Å; A579-V601 HydrophobicContact CB-CG2 3.88Å; L599-V601 HydrophobicContact CG-CG2 4.45Å; V601-A603 PolarHBondContact O-N 2.85Å |
| 602 | I | 88.3 | Confident | 90.9 | Very high | 99 Ų | 99 | 65 Ų | 65 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104.5 | 168.7 | -59.5 | 174.2 | 0 | 0 | 0 | 106.8 | T521 V522 E524 Q604 | T521-I602 HydrophobicContact CG2-CD1 3.7Å; T521-I602 HydrophobicContact CG2-CG1 3.74Å; V522-I602 PolarHBondContact O-N 3Å; E524-I602 PolarHBondContact N-O 2.92Å; I602-Q604 PolarHBondContact O-N 2.87Å |
| 603 | A | 81.8 | Confident | 90.8 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | V576 V601 E605 | V576-A603 HydrophobicContact CG1-CB 3.71Å; V601-A603 PolarHBondContact O-N 2.85Å; A603-E605 PolarHBondContact O-N 3.3Å |
| 604 | Q | 74.4 | Confident | 90.7 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 118.8 | -178.3 | -168.1 | 176.7 | 22.1 | 0 | 0 | 108.7 | E524 I602 A606 | E524-Q604 HydrophobicContact CB-CB 4.3Å; I602-Q604 PolarHBondContact O-N 2.87Å; Q604-A606 PolarHBondContact O-N 2.83Å; Q604-A606 VanDerWaalsContact O-N 3.12Å |
| 605 | E | 71.3 | Confident | 90.7 | Very high | 142 Ų | 142 | 70.6 Ų | 70.6 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -57 | 123.2 | 175.6 | -75.3 | -160.2 | 172.2 | 0 | 0 | 109.7 | A603 L607 | A603-E605 PolarHBondContact O-N 3.3Å; E605-L607 PolarHBondContact O-N 2.81Å |
| 606 | A | 71.7 | Confident | 90.6 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 60% | 0.595 | 37% | 0.37 | S | S | * | . | trans | -64.9 | 105.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q604 R608 | Q604-A606 PolarHBondContact O-N 2.83Å; Q604-A606 VanDerWaalsContact O-N 3.12Å; A606-R608 WeakPolarHBondContact O-CG 3.46Å; A606-R608 PolarHBondContact O-N 2.97Å | ||
| 607 | L | 84.5 | Confident | 90.6 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | trans | -63 | 107.2 | 179.2 | -57.7 | -179.3 | 0 | 0 | 0 | 109.6 | E605 S636 P637 E689 A690 | E605-L607 PolarHBondContact O-N 2.81Å; L607-S636 CarbonylContact C-O 3.54Å; L607-S636 WeakPolarHBondContact CA-O 3.41Å; L607-P637 HydrophobicContact CD2-CG 4.47Å; L607-E689 HydrophobicContact CD1-CG 4.5Å; L607-E689 HydrophobicContact CD2-CG 4.33Å; L607-E689 WeakPolarHBondContact CD2-OE1 3.35Å; L607-A690 HydrophobicContact CB-CB 4.03Å | ||
| 608 | R | 90.6 | Very high | 90.5 | Very high | 105 Ų | 105 | 77.5 Ų | 77.5 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.1 | -178.3 | -67.3 | -176.8 | -52.7 | 121.4 | 9.6 | 110 | A606 D634 S636 N688 | A606-R608 WeakPolarHBondContact O-CG 3.46Å; A606-R608 PolarHBondContact O-N 2.97Å; R608-D634 IonicContact CZ-OD1 2.72Å; R608-D634 IonicContact CZ-OD2 3.99Å; R608-D634 VanDerWaalsContact NH1-CG 3.29Å; R608-D634 IonicContact NH1-OD1 3.18Å; R608-D634 PolarHBondContact NH1-OD1 2.52Å; R608-D634 IonicContact NH1-OD2 3.84Å; R608-D634 PolarHBondContact NH1-OD2 3.25Å; R608-D634 IonicContact NH2-OD1 2.63Å; R608-D634 PolarHBondContact NH2-OD1 2.81Å; R608-D634 IonicContact NH2-OD2 2.66Å; R608-S636 PolarHBondContact N-O 3.13Å; R608-S636 PolarHBondContact O-N 2.72Å; R608-S636 VanDerWaalsContact O-O 3.12Å; R608-N688 PolarHBondContact O-ND2 2.95Å |
| 609 | P | 92.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 159.8 | 178.6 | 28.2 | -35.2 | 0 | 0 | 0 | 111.1 | T611 A690 | P609-T611 PolarHBondContact O-N 3.48Å; P609-A690 HydrophobicContact CB-CB 4.15Å |
| 610 | P | 96.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 83.3 Ų | 83.3 | 2% | 0.019 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 129 | -174.9 | -18.1 | 33.9 | 0 | 0 | 0 | 111.1 | V633 A635 P639 A686 N688 G691 S693 | P610-V633 HydrophobicContact CB-CG1 3.95Å; P610-A635 HydrophobicContact CB-CB 4.03Å; P610-A635 HydrophobicContact CG-CB 4.19Å; P610-P639 HydrophobicContact CB-CB 4.21Å; P610-P639 HydrophobicContact CG-CB 3.98Å; P610-A686 HydrophobicContact CB-CB 3.68Å; P610-A686 HydrophobicContact CG-CB 4.33Å; P610-N688 WeakPolarHBondContact CD-OD1 3.33Å; P610-N688 HydrophobicContact CG-CB 4.35Å; P610-G691 WeakPolarHBondContact CD-O 3.3Å; P610-S693 WeakPolarHBondContact O-CB 3.29Å; P610-S693 PolarHBondContact O-OG 2.94Å |
| 611 | T | 95.4 | Very high | 90.4 | Very high | 63 Ų | 63 | 81.4 Ų | 81.4 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.6 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | P609 V613 V633 D634 | P609-T611 PolarHBondContact O-N 3.48Å; T611-V613 PolarHBondContact O-N 3.23Å; T611-V613 VanDerWaalsContact O-N 3.09Å; T611-V633 CarbonylContact O-C 3.59Å; T611-V633 WeakPolarHBondContact O-CA 3.32Å; T611-D634 PolarHBondContact N-O 3Å; T611-D634 PolarHBondContact O-N 2.76Å; T611-D634 PolarHBondContact OG1-O 2.89Å |
| 612 | F | 96.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 83.7 Ų | 83.7 | 8% | 0.083 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 85.3 | 176.9 | -74.1 | -90.6 | 0 | 0 | 0 | 110.2 | Q614 K615 C631 K632 V633 L684 A686 C695 | F612-Q614 VanDerWaalsContact C-N 3.25Å; F612-Q614 PolarHBondContact O-N 3.33Å; F612-K615 HydrophobicContact CB-CG 3.94Å; F612-C631 HydrophobicContact CD1-CB 4.31Å; F612-K632 CarbonylContact C-O 3.58Å; F612-K632 WeakPolarHBondContact CA-O 3.33Å; F612-V633 HydrophobicContact CD1-CG2 3.78Å; F612-V633 HydrophobicContact CE1-CG2 3.47Å; F612-V633 VanDerWaalsContact CE1-CG2 3.47Å; F612-V633 HydrophobicContact CZ-CG2 3.95Å; F612-L684 HydrophobicContact CE1-CB 4.39Å; F612-L684 HydrophobicContact CE1-CD2 4.04Å; F612-L684 HydrophobicContact CE1-CG 4.17Å; F612-L684 HydrophobicContact CZ-CB 4.35Å; F612-L684 HydrophobicContact CZ-CD2 4.41Å; F612-L684 HydrophobicContact CZ-CG 4.08Å; F612-L684 WeakPolarHBondContact CZ-O 3.44Å; F612-A686 HydrophobicContact CE2-CB 4.08Å; F612-A686 HydrophobicContact CZ-CB 3.99Å; F612-C695 HydrophobicContact CB-CB 4.42Å; F612-C695 HydrophobicContact CD1-CB 3.4Å; F612-C695 VanDerWaalsContact CD1-CB 3.4Å; F612-C695 HydrophobicContact CD2-CB 3.89Å; F612-C695 HydrophobicContact CE1-CB 3.43Å; F612-C695 VanDerWaalsContact CE1-CB 3.43Å; F612-C695 HydrophobicContact CE2-CB 3.93Å; F612-C695 HydrophobicContact CG-CB 3.64Å; F612-C695 HydrophobicContact CZ-CB 3.7Å |
| 613 | V | 95.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 82.3 Ų | 82.3 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | -38.6 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | T611 K632 D634 | T611-V613 PolarHBondContact O-N 3.23Å; T611-V613 VanDerWaalsContact O-N 3.09Å; V613-K632 PolarHBondContact N-O 2.79Å; V613-D634 HydrophobicContact CG2-CB 3.56Å |
| 614 | Q | 95.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 81.9 Ų | 81.9 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.5 | 167.9 | -178.6 | -180 | -13.9 | 0 | 0 | 107.7 | F612 C631 K632 | F612-Q614 VanDerWaalsContact C-N 3.25Å; F612-Q614 PolarHBondContact O-N 3.33Å; Q614-C631 CarbonylContact O-C 3.55Å; Q614-C631 WeakPolarHBondContact O-CA 3.42Å; Q614-C631 WeakPolarHBondContact O-CB 3.26Å; Q614-K632 HydrophobicContact CB-CB 3.77Å; Q614-K632 PolarHBondContact N-O 3.46Å; Q614-K632 PolarHBondContact O-N 2.95Å |
| 615 | K | 95.7 | Very high | 92.3 | Very high | 141 Ų | 141 | 77.9 Ų | 77.9 | 61% | 0.613 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 151.5 | 177.6 | -68.5 | 179.2 | -177.4 | 178.1 | 0 | 110.5 | F612 | F612-K615 HydrophobicContact CB-CG 3.94Š|
| 616 | M | 95.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 75.1 Ų | 75.1 | 4% | 0.044 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.3 | 167.8 | -63.3 | -174.3 | -72.8 | 0 | 0 | 109.9 | L629 E630 C631 W643 Y682 L684 C695 A697 | M616-L629 HydrophobicContact SD-CB 4.22Å; M616-E630 WeakPolarHBondContact CA-O 3.4Å; M616-C631 HydrophobicContact CG-CB 3.64Å; M616-W643 HydrophobicContact CE-CZ3 4.36Å; M616-W643 HydrophobicContact SD-CH2 3.48Å; M616-W643 WeakPolarHBondContact SD-CH2 3.38Å; M616-W643 HydrophobicContact SD-CZ3 3.44Å; M616-W643 WeakPolarHBondContact SD-CZ3 3.36Å; M616-Y682 WeakPolarHBondContact CE-O 3.29Å; M616-L684 HydrophobicContact CE-CB 4.01Å; M616-C695 HydrophobicContact CE-CB 4.22Å; M616-C695 WeakPolarHBondContact CE-O 3.46Å; M616-C695 PolarHBondContact N-SG 2.99Å; M616-A697 HydrophobicContact CB-CB 3.54Å |
| 617 | L | 96.6 | Very high | 94.6 | Very high | 133 Ų | 133 | 72.1 Ų | 72.1 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 149.7 | 177.9 | -58.2 | -179.6 | 0 | 0 | 0 | 110.4 | T619 A697 | L617-T619 PolarHBondContact O-N 3.06Å; L617-T619 PolarHBondContact O-OG1 3.06Å; L617-A697 WeakPolarHBondContact O-CB 3.08Å |
| 618 | N | 97 | Very high | 95.1 | Very high | 112 Ų | 112 | 75.9 Ų | 75.9 | 60% | 0.599 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 131.5 | 170.3 | -65.9 | -16.5 | 0 | 0 | 0 | 109.3 | A697 R698 | N618-A697 WeakPolarHBondContact OD1-CA 3.38Å; N618-R698 CarbonylContact C-O 3.53Å; N618-R698 VanDerWaalsContact CA-O 3.28Å; N618-R698 WeakPolarHBondContact CA-O 3.43Å; N618-R698 HydrophobicContact CB-CB 4.32Å; N618-R698 PolarHBondContact OD1-N 3.29Å |
| 619 | T | 95.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 71 Ų | 71 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.8 | -174.9 | -54 | 0 | 0 | 0 | 0 | 110.5 | L617 I627 R698 L699 D700 | L617-T619 PolarHBondContact O-N 3.06Å; L617-T619 PolarHBondContact O-OG1 3.06Å; T619-I627 HydrophobicContact CG2-CG2 4.45Å; T619-R698 PolarHBondContact N-O 3.17Å; T619-L699 HydrophobicContact CG2-CD1 4.14Å; T619-L699 WeakPolarHBondContact O-CA 3.34Å; T619-D700 PolarHBondContact O-N 3.25Å |
| 620 | R | 95.8 | Very high | 95.5 | Very high | 218 Ų | 218 | 71.6 Ų | 71.6 | 82% | 0.823 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.5 | 166.5 | -65.2 | -174 | 173.1 | 164.5 | -0 | 108.5 | D700 | R620-D700 WeakPolarHBondContact CA-O 3.21Å; R620-D700 HydrophobicContact CG-CB 4.34Å |
| 621 | A | 94.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 71.4 Ų | 71.4 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 166.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D625 I627 V674 D700 I701 G702 | A621-D625 HydrophobicContact CB-CB 4.26Å; A621-I627 HydrophobicContact CB-CG2 3.46Å; A621-I627 VanDerWaalsContact CB-CG2 3.46Å; A621-V674 HydrophobicContact CB-CG2 4.17Å; A621-D700 PolarHBondContact N-O 2.87Å; A621-I701 CarbonylContact O-C 3.59Å; A621-I701 WeakPolarHBondContact O-CA 3.45Å; A621-G702 PolarHBondContact O-N 3.27Å |
| 622 | L | 95.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 154.7 | 169 | -61 | 172.2 | 0 | 0 | 0 | 110.5 | G624 D625 V674 G702 R704 | L622-G624 PolarHBondContact O-N 3.25Å; L622-D625 WeakPolarHBondContact CA-OD2 2.97Å; L622-D625 WeakPolarHBondContact CB-OD2 3.38Å; L622-D625 PolarHBondContact N-OD2 3.44Å; L622-D625 VanDerWaalsContact O-CB 3.27Å; L622-D625 WeakPolarHBondContact O-CB 3.41Å; L622-D625 PolarHBondContact O-N 3.38Å; L622-D625 VanDerWaalsContact O-N 3.07Å; L622-V674 VanDerWaalsContact O-CG2 3.26Å; L622-V674 WeakPolarHBondContact O-CG2 3.38Å; L622-G702 CarbonylContact C-O 3.53Å; L622-G702 VanDerWaalsContact CA-O 3.31Å; L622-G702 WeakPolarHBondContact CA-O 3.39Å; L622-R704 HydrophobicContact CB-CG 3.95Å; L622-R704 HydrophobicContact CD1-CG 4.17Å; L622-R704 HydrophobicContact CG-CG 4.49Å |
| 623 | E | 95.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 71.2 Ų | 71.2 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 128.4 | 173.9 | -172.1 | 149.5 | -125.5 | 0 | 0 | 110.2 | V674 T675 K676 I701 G702 R704 | E623-V674 WeakPolarHBondContact CA-O 3.44Å; E623-T675 WeakPolarHBondContact OE1-CA 3.48Å; E623-K676 PolarHBondContact OE1-N 3.26Å; E623-I701 HydrophobicContact CB-CG2 4.2Å; E623-G702 PolarHBondContact N-O 2.85Å; E623-R704 PolarHBondContact O-NE 3.07Å |
| 624 | G | 92.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -12.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L622 V674 | L622-G624 PolarHBondContact O-N 3.25Å; G624-V674 PolarHBondContact N-O 3.13Å |
| 625 | D | 95.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | trans | -74.9 | 162.6 | -178 | -62.2 | -2.7 | 0 | 0 | 0 | 113 | A621 L622 R673 V674 R704 | A621-D625 HydrophobicContact CB-CB 4.26Å; L622-D625 WeakPolarHBondContact CA-OD2 2.97Å; L622-D625 WeakPolarHBondContact CB-OD2 3.38Å; L622-D625 PolarHBondContact N-OD2 3.44Å; L622-D625 VanDerWaalsContact O-CB 3.27Å; L622-D625 WeakPolarHBondContact O-CB 3.41Å; L622-D625 PolarHBondContact O-N 3.38Å; L622-D625 VanDerWaalsContact O-N 3.07Å; D625-R673 CarbonylContact O-C 3.51Å; D625-R673 WeakPolarHBondContact O-CA 3.48Å; D625-R673 PolarHBondContact O-N 3.47Å; D625-V674 HydrophobicContact CB-CG2 4.29Å; D625-V674 PolarHBondContact O-N 3.49Å; D625-R704 IonicContact OD1-CZ 3.61Å; D625-R704 IonicContact OD1-NE 2.69Å; D625-R704 IonicContact OD1-NH2 3.65Å; D625-R704 PolarHBondContact OD1-NH2 3.01Å | ||
| 626 | T | 95.7 | Very high | 95 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | trans | -100.8 | 124.5 | 170.4 | -44 | 0 | 0 | 0 | 0 | 109.7 | L670 I671 D672 | T626-L670 HydrophobicContact CG2-CD1 3.67Å; T626-L670 HydrophobicContact CG2-CG 4.43Å; T626-I671 CarbonylContact C-O 3.56Å; T626-I671 WeakPolarHBondContact CA-O 3.4Å; T626-D672 HydrophobicContact CG2-CB 4.27Å; T626-D672 PolarHBondContact OG1-OD1 3.46Å | ||
| 627 | I | 95.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 153.9 | -178.5 | 71 | 84.9 | 0 | 0 | 0 | 113 | T619 A621 L629 L670 I671 V674 L699 | T619-I627 HydrophobicContact CG2-CG2 4.45Å; A621-I627 HydrophobicContact CB-CG2 3.46Å; A621-I627 VanDerWaalsContact CB-CG2 3.46Å; I627-L629 HydrophobicContact CD1-CD1 4.3Å; I627-L629 HydrophobicContact CD1-CG 3.88Å; I627-L670 WeakPolarHBondContact O-CA 3.32Å; I627-I671 HydrophobicContact CD1-CB 4.1Å; I627-I671 HydrophobicContact CD1-CD1 4.12Å; I627-I671 HydrophobicContact CD1-CG1 4.04Å; I627-I671 HydrophobicContact CG1-CB 4.07Å; I627-I671 PolarHBondContact N-O 2.83Å; I627-I671 PolarHBondContact O-N 3.33Å; I627-V674 HydrophobicContact CB-CG1 4.29Å; I627-V674 HydrophobicContact CG1-CG1 3.58Å; I627-V674 HydrophobicContact CG2-CG1 3.88Å; I627-V674 HydrophobicContact CG2-CG2 4.43Å; I627-L699 HydrophobicContact CD1-CD1 4.42Å; I627-L699 HydrophobicContact CD1-CD2 3.98Å; I627-L699 HydrophobicContact CG1-CD1 4.18Å; I627-L699 HydrophobicContact CG1-CD2 4.03Å; I627-L699 HydrophobicContact CG2-CD1 4.38Å |
| 628 | R | 94.9 | Very high | 94.4 | Very high | 168 Ų | 168 | 60.8 Ų | 60.8 | 63% | 0.634 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.2 | 177.8 | -65.5 | 175.5 | 104.3 | 142.2 | 4.5 | 110.2 | L669 L670 | R628-L669 WeakPolarHBondContact CA-O 3.29Å; R628-L670 HydrophobicContact CG-CD1 3.51Å |
| 629 | L | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 97.3 | 170.4 | -62 | 176.1 | 0 | 0 | 0 | 108.3 | M616 I627 W643 C668 L669 Y682 | M616-L629 HydrophobicContact SD-CB 4.22Å; I627-L629 HydrophobicContact CD1-CD1 4.3Å; I627-L629 HydrophobicContact CD1-CG 3.88Å; L629-W643 HydrophobicContact CB-CH2 4.35Å; L629-W643 HydrophobicContact CB-CZ3 4.46Å; L629-C668 WeakPolarHBondContact O-CA 3.2Å; L629-L669 HydrophobicContact CB-CB 4.41Å; L629-L669 HydrophobicContact CD1-CD2 4.49Å; L629-L669 PolarHBondContact N-O 2.87Å; L629-L669 PolarHBondContact O-N 2.93Å; L629-Y682 HydrophobicContact CD1-CD1 3.78Å; L629-Y682 HydrophobicContact CD1-CD2 3.8Å; L629-Y682 HydrophobicContact CD1-CE1 4.42Å; L629-Y682 HydrophobicContact CD1-CE2 4.46Å; L629-Y682 HydrophobicContact CD1-CG 3.43Å; L629-Y682 VanDerWaalsContact CD1-CG 3.43Å |
| 630 | E | 95.3 | Very high | 94.2 | Very high | 77 Ų | 77 | 61.8 Ų | 61.8 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.7 | -178.9 | -173.4 | 175.3 | -175.6 | 0 | 0 | 112.1 | M616 Q667 C668 | M616-E630 WeakPolarHBondContact CA-O 3.4Å; E630-Q667 CarbonylContact C-O 3.58Å; E630-Q667 VanDerWaalsContact CA-O 3.31Å; E630-Q667 WeakPolarHBondContact CA-O 3.29Å; E630-C668 HydrophobicContact CB-CB 4.47Å; E630-C668 HydrophobicContact CG-CB 4.44Å |
| 631 | C | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 168 | 169.7 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | F612 Q614 M616 R666 Q667 | F612-C631 HydrophobicContact CD1-CB 4.31Å; Q614-C631 CarbonylContact O-C 3.55Å; Q614-C631 WeakPolarHBondContact O-CA 3.42Å; Q614-C631 WeakPolarHBondContact O-CB 3.26Å; M616-C631 HydrophobicContact CG-CB 3.64Å; C631-R666 WeakPolarHBondContact O-CA 3.45Å; C631-Q667 PolarHBondContact N-O 3.3Å; C631-Q667 PolarHBondContact O-N 3.49Å |
| 632 | K | 96.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.9 | 177.5 | -167.7 | -177.7 | -175.9 | -173.6 | 0 | 110.5 | F612 V613 Q614 S664 G665 R666 | F612-K632 CarbonylContact C-O 3.58Å; F612-K632 WeakPolarHBondContact CA-O 3.33Å; V613-K632 PolarHBondContact N-O 2.79Å; Q614-K632 HydrophobicContact CB-CB 3.77Å; Q614-K632 PolarHBondContact N-O 3.46Å; Q614-K632 PolarHBondContact O-N 2.95Å; K632-S664 WeakPolarHBondContact CE-O 3.36Å; K632-G665 WeakPolarHBondContact CA-O 3.45Å; K632-R666 HydrophobicContact CB-CG 4.13Å; K632-R666 HydrophobicContact CD-CG 4.12Å; K632-R666 HydrophobicContact CG-CG 3.88Å |
| 633 | V | 96.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.5 | 178 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | P610 T611 F612 P639 L641 G665 Q667 A686 | P610-V633 HydrophobicContact CB-CG1 3.95Å; T611-V633 CarbonylContact O-C 3.59Å; T611-V633 WeakPolarHBondContact O-CA 3.32Å; F612-V633 HydrophobicContact CD1-CG2 3.78Å; F612-V633 HydrophobicContact CE1-CG2 3.47Å; F612-V633 VanDerWaalsContact CE1-CG2 3.47Å; F612-V633 HydrophobicContact CZ-CG2 3.95Å; V633-P639 HydrophobicContact CG1-CG 3.94Å; V633-L641 HydrophobicContact CG2-CD2 4.36Å; V633-G665 PolarHBondContact N-O 2.85Å; V633-G665 WeakPolarHBondContact O-CA 3.42Å; V633-Q667 HydrophobicContact CG2-CG 4.47Å; V633-A686 HydrophobicContact CG1-CB 4.02Å |
| 634 | D | 94.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 32% | 0.316 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128 | 168.1 | 178.3 | 22.2 | 0 | 0 | 0 | 109.1 | R608 T611 V613 | R608-D634 IonicContact CZ-OD1 2.72Å; R608-D634 IonicContact CZ-OD2 3.99Å; R608-D634 VanDerWaalsContact NH1-CG 3.29Å; R608-D634 IonicContact NH1-OD1 3.18Å; R608-D634 PolarHBondContact NH1-OD1 2.52Å; R608-D634 IonicContact NH1-OD2 3.84Å; R608-D634 PolarHBondContact NH1-OD2 3.25Å; R608-D634 IonicContact NH2-OD1 2.63Å; R608-D634 PolarHBondContact NH2-OD1 2.81Å; R608-D634 IonicContact NH2-OD2 2.66Å; T611-D634 PolarHBondContact N-O 3Å; T611-D634 PolarHBondContact O-N 2.76Å; T611-D634 PolarHBondContact OG1-O 2.89Å; V613-D634 HydrophobicContact CG2-CB 3.56Å |
| 635 | A | 92 | Very high | 94.2 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 157.4 | -179 | 0 | 0 | 0 | 0 | 0 | 109.8 | P610 P637 P639 | P610-A635 HydrophobicContact CB-CB 4.03Å; P610-A635 HydrophobicContact CG-CB 4.19Å; A635-P637 CarbonylContact C-O 3.53Å; A635-P639 HydrophobicContact CB-CB 4.25Å; A635-P639 HydrophobicContact CB-CG 4.01Å |
| 636 | S | 89.6 | Confident | 94.1 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 119.4 | 170.6 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | L607 R608 N688 | L607-S636 CarbonylContact C-O 3.54Å; L607-S636 WeakPolarHBondContact CA-O 3.41Å; R608-S636 PolarHBondContact N-O 3.13Å; R608-S636 PolarHBondContact O-N 2.72Å; R608-S636 VanDerWaalsContact O-O 3.12Å; S636-N688 PolarHBondContact O-ND2 2.88Å |
| 637 | P | 89.1 | Confident | 93.8 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -64.1 | 171.6 | -6.7 | -22 | 35.1 | 0 | 0 | 0 | 113.9 | L607 A635 N688 E689 | L607-P637 HydrophobicContact CD2-CG 4.47Å; A635-P637 CarbonylContact C-O 3.53Å; P637-N688 PolarHBondContact O-ND2 3.32Å; P637-E689 WeakPolarHBondContact CD-OE1 3.11Å; P637-E689 VanDerWaalsContact CG-OE1 3.23Å; P637-E689 WeakPolarHBondContact CG-OE1 3.14Å |
| 638 | P | 90.3 | Very high | 93.6 | Very high | 115 Ų | 115 | 65.1 Ų | 65.1 | 75% | 0.747 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 139.6 | 176.7 | -26.8 | 36 | 0 | 0 | 0 | 113.1 | ||
| 639 | P | 94.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 150 | -170 | 35.2 | -32.1 | 0 | 0 | 0 | 113.2 | P610 V633 A635 L641 A686 I687 N688 | P610-P639 HydrophobicContact CB-CB 4.21Å; P610-P639 HydrophobicContact CG-CB 3.98Å; V633-P639 HydrophobicContact CG1-CG 3.94Å; A635-P639 HydrophobicContact CB-CB 4.25Å; A635-P639 HydrophobicContact CB-CG 4.01Å; P639-L641 HydrophobicContact CG-CD2 4.2Å; P639-A686 HydrophobicContact CB-CB 4.29Å; P639-A686 HydrophobicContact CG-CB 4.49Å; P639-I687 CarbonylContact C-O 3.53Å; P639-I687 VanDerWaalsContact CA-O 3.29Å; P639-I687 WeakPolarHBondContact CA-O 3.44Å; P639-N688 HydrophobicContact CB-CB 4.41Å |
| 640 | Q | 93.8 | Very high | 93.4 | Very high | 136 Ų | 136 | 63.2 Ų | 63.2 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 144.6 | 161.2 | -63 | -173.1 | 5.6 | 0 | 0 | 110.2 | F642 A686 I687 | Q640-F642 HydrophobicContact CB-CE2 3.81Å; Q640-F642 HydrophobicContact CB-CZ 4.06Å; Q640-A686 WeakPolarHBondContact O-CA 3.34Å; Q640-I687 PolarHBondContact N-O 2.87Å; Q640-I687 PolarHBondContact O-N 2.94Å |
| 641 | L | 94.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.7 | -166.4 | -68.1 | 176.8 | 0 | 0 | 0 | 112 | V633 P639 Q667 L684 S685 A686 | V633-L641 HydrophobicContact CG2-CD2 4.36Å; P639-L641 HydrophobicContact CG-CD2 4.2Å; L641-Q667 HydrophobicContact CD1-CG 3.83Å; L641-Q667 VanDerWaalsContact CD1-NE2 3.34Å; L641-Q667 VanDerWaalsContact CD1-OE1 3.3Å; L641-L684 HydrophobicContact CB-CD1 4.16Å; L641-L684 HydrophobicContact CD2-CD1 4.29Å; L641-L684 HydrophobicContact CD2-CG 4.5Å; L641-S685 WeakPolarHBondContact CA-O 3.44Å; L641-A686 HydrophobicContact CD2-CB 3.48Å; L641-A686 VanDerWaalsContact CD2-CB 3.48Å |
| 642 | F | 94.8 | Very high | 93 | Very high | 69 Ų | 69 | 74.2 Ų | 74.2 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 112.7 | -174 | -55 | -86.5 | 0 | 0 | 0 | 111.3 | Q640 M649 L684 S685 I687 | Q640-F642 HydrophobicContact CB-CE2 3.81Å; Q640-F642 HydrophobicContact CB-CZ 4.06Å; F642-M649 HydrophobicContact CB-SD 4.47Å; F642-M649 HydrophobicContact CD1-CE 4.25Å; F642-L684 WeakPolarHBondContact O-CD1 3.3Å; F642-S685 PolarHBondContact N-O 3.34Å; F642-S685 PolarHBondContact O-N 2.85Å; F642-I687 HydrophobicContact CD2-CD1 4.05Å; F642-I687 HydrophobicContact CD2-CG1 4.32Å; F642-I687 HydrophobicContact CE2-CD1 3.78Å; F642-I687 HydrophobicContact CE2-CG1 4.15Å |
| 643 | W | 95.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.1 | 175.7 | -75.6 | 86.4 | 0 | 0 | 0 | 111.7 | M616 L629 L650 L659 Q667 L669 T683 L684 | M616-W643 HydrophobicContact CE-CZ3 4.36Å; M616-W643 HydrophobicContact SD-CH2 3.48Å; M616-W643 WeakPolarHBondContact SD-CH2 3.38Å; M616-W643 HydrophobicContact SD-CZ3 3.44Å; M616-W643 WeakPolarHBondContact SD-CZ3 3.36Å; L629-W643 HydrophobicContact CB-CH2 4.35Å; L629-W643 HydrophobicContact CB-CZ3 4.46Å; W643-L650 HydrophobicContact CB-CB 3.82Å; W643-L650 HydrophobicContact CB-CD2 3.76Å; W643-L650 HydrophobicContact CB-CG 4.46Å; W643-L650 HydrophobicContact CE3-CD2 4.5Å; W643-L650 HydrophobicContact CG-CD2 4.3Å; W643-L650 WeakPolarHBondContact O-CB 3.32Å; W643-L650 PolarHBondContact O-N 3.42Å; W643-L659 HydrophobicContact CZ2-CD1 3.96Å; W643-L659 VanDerWaalsContact NE1-CD1 3.28Å; W643-Q667 HydrophobicContact CZ2-CB 4.5Å; W643-L669 HydrophobicContact CD2-CD2 4.47Å; W643-L669 HydrophobicContact CE3-CB 4.31Å; W643-L669 HydrophobicContact CE3-CD2 3.8Å; W643-L669 HydrophobicContact CH2-CB 3.58Å; W643-L669 HydrophobicContact CH2-CD2 4.41Å; W643-L669 HydrophobicContact CZ2-CB 3.91Å; W643-L669 HydrophobicContact CZ3-CB 3.8Å; W643-L669 HydrophobicContact CZ3-CD2 3.76Å; W643-L669 HydrophobicContact CZ3-CG 4.46Å; W643-T683 CarbonylContact C-O 3.48Å; W643-L684 HydrophobicContact CD2-CB 4.37Å; W643-L684 HydrophobicContact CD2-CD1 4.14Å; W643-L684 HydrophobicContact CE3-CB 4.49Å; W643-L684 HydrophobicContact CG-CD1 3.98Å; W643-L684 HydrophobicContact CZ2-CD2 3.86Å |
| 644 | K | 95.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 78.4 Ų | 78.4 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.1 | 177 | -65.5 | 172.5 | -175.9 | 166.4 | 0 | 110.5 | D648 M649 Y682 T683 | K644-D648 CarbonylContact C-O 3.57Å; K644-D648 WeakPolarHBondContact CA-O 3.25Å; K644-D648 VanDerWaalsContact CB-O 3.23Å; K644-D648 WeakPolarHBondContact CB-O 3.42Å; K644-M649 HydrophobicContact CG-SD 4.48Å; K644-Y682 WeakPolarHBondContact O-CA 3.17Å; K644-T683 PolarHBondContact N-O 3.13Å; K644-T683 PolarHBondContact O-N 3.03Å |
| 645 | K | 95.3 | Very high | 92.3 | Very high | 42 Ų | 42 | 82.8 Ų | 82.8 | 18% | 0.183 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.5 | 167.9 | -172.6 | -177 | -177 | -69.6 | 0 | 109.2 | K647 D648 L650 S677 D678 S679 Y682 | K645-K647 VanDerWaalsContact C-N 3.27Å; K645-K647 PolarHBondContact O-N 2.83Å; K645-D648 PolarHBondContact N-O 2.93Å; K645-D648 PolarHBondContact O-N 3.38Å; K645-L650 HydrophobicContact CB-CD1 4.05Å; K645-S677 PolarHBondContact NZ-O 2.91Å; K645-D678 VanDerWaalsContact CE-C 3.49Å; K645-D678 WeakPolarHBondContact CE-O 3.49Å; K645-S679 PolarHBondContact NZ-O 2.81Å; K645-Y682 HydrophobicContact CD-CE1 4.45Å; K645-Y682 HydrophobicContact CD-CE2 4.35Å; K645-Y682 HydrophobicContact CG-CE1 4.4Å; K645-Y682 HydrophobicContact CG-CE2 4.28Å |
| 646 | D | 92.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 84.5 Ų | 84.5 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -73.2 | -175.4 | -61.7 | -66.9 | 0 | 0 | 0 | 113.7 | G680 W681 R698 | D646-G680 VanDerWaalsContact OD1-CA 3.28Å; D646-G680 WeakPolarHBondContact OD1-CA 3.31Å; D646-G680 WeakPolarHBondContact OD2-CA 3.36Å; D646-W681 PolarHBondContact N-O 2.89Å; D646-W681 PolarHBondContact OD1-N 3.47Å; D646-R698 IonicContact OD1-NH1 3.8Å |
| 647 | K | 89.5 | Confident | 92.6 | Very high | 191 Ų | 191 | 84.3 Ų | 84.3 | 83% | 0.83 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | -19.9 | 172.3 | -66.9 | -177 | -179.3 | 177 | 0 | 113.9 | K645 | K645-K647 VanDerWaalsContact C-N 3.27Å; K645-K647 PolarHBondContact O-N 2.83Å |
| 648 | D | 92.6 | Very high | 92.8 | Very high | 120 Ų | 120 | 84 Ų | 84 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 159.9 | -173.4 | -65.8 | -51.8 | 0 | 0 | 0 | 111.9 | K644 K645 L650 | K644-D648 CarbonylContact C-O 3.57Å; K644-D648 WeakPolarHBondContact CA-O 3.25Å; K644-D648 VanDerWaalsContact CB-O 3.23Å; K644-D648 WeakPolarHBondContact CB-O 3.42Å; K645-D648 PolarHBondContact N-O 2.93Å; K645-D648 PolarHBondContact O-N 3.38Å; D648-L650 PolarHBondContact O-N 2.81Å |
| 649 | M | 93.3 | Very high | 93 | Very high | 112 Ų | 112 | 81.3 Ų | 81.3 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 134.6 | 169.9 | -165.8 | 68.9 | 76 | 0 | 0 | 109.7 | F642 K644 R651 | F642-M649 HydrophobicContact CB-SD 4.47Å; F642-M649 HydrophobicContact CD1-CE 4.25Å; K644-M649 HydrophobicContact CG-SD 4.48Å; M649-R651 PolarHBondContact O-N 3.41Å; M649-R651 VanDerWaalsContact O-N 3.1Å |
| 650 | L | 93.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 85.9 Ų | 85.9 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | trans | -61.7 | 115.8 | -177.9 | 177.5 | 66.7 | 0 | 0 | 0 | 110 | W643 K645 D648 I652 M657 L669 Y682 | W643-L650 HydrophobicContact CB-CB 3.82Å; W643-L650 HydrophobicContact CB-CD2 3.76Å; W643-L650 HydrophobicContact CB-CG 4.46Å; W643-L650 HydrophobicContact CE3-CD2 4.5Å; W643-L650 HydrophobicContact CG-CD2 4.3Å; W643-L650 WeakPolarHBondContact O-CB 3.32Å; W643-L650 PolarHBondContact O-N 3.42Å; K645-L650 HydrophobicContact CB-CD1 4.05Å; D648-L650 PolarHBondContact O-N 2.81Å; L650-I652 HydrophobicContact CD2-CG1 4.46Å; L650-I652 HydrophobicContact CG-CG1 4.46Å; L650-I652 PolarHBondContact O-N 2.79Å; L650-M657 HydrophobicContact CD1-SD 4.37Å; L650-L669 HydrophobicContact CD2-CD1 4.02Å; L650-L669 HydrophobicContact CD2-CD2 3.53Å; L650-L669 HydrophobicContact CD2-CG 4.44Å; L650-Y682 HydrophobicContact CD1-CD1 4.49Å; L650-Y682 HydrophobicContact CD1-CE1 3.86Å | ||
| 651 | R | 90.4 | Very high | 92.7 | Very high | 221 Ų | 221 | 84.9 Ų | 84.9 | 83% | 0.834 | 41% | 0.407 | S | S | * | . | trans | -80.2 | 102.4 | 170 | -66 | -179.1 | -178.7 | 166.4 | 2.2 | 108.3 | M649 D653 | M649-R651 PolarHBondContact O-N 3.41Å; M649-R651 VanDerWaalsContact O-N 3.1Å; R651-D653 PolarHBondContact O-N 3.32Å | ||
| 652 | I | 90.7 | Very high | 92.1 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 44% | 0.441 | 41% | 0.412 | S | S | . | . | trans | -69.6 | 116.6 | 174.3 | -58.5 | 176.6 | 0 | 0 | 0 | 108.1 | L650 P654 M657 | L650-I652 HydrophobicContact CD2-CG1 4.46Å; L650-I652 HydrophobicContact CG-CG1 4.46Å; L650-I652 PolarHBondContact O-N 2.79Å; I652-P654 WeakPolarHBondContact O-CD 3.32Å; I652-M657 HydrophobicContact CG2-CB 3.88Å; I652-M657 WeakPolarHBondContact CG2-O 3.34Å | ||
| 653 | D | 91.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | trans | -79.6 | 110.2 | 166 | 174.1 | -2.2 | 0 | 0 | 0 | 108.7 | R651 N655 R656 M657 | R651-D653 PolarHBondContact O-N 3.32Å; D653-N655 PolarHBondContact O-N 2.96Å; D653-N655 WeakPolarHBondContact OD1-CB 3.26Å; D653-N655 PolarHBondContact OD1-N 3.08Å; D653-R656 HydrophobicContact CB-CB 4.45Å; D653-R656 PolarHBondContact O-N 3.29Å; D653-R656 VanDerWaalsContact O-N 3.09Å; D653-R656 WeakPolarHBondContact OD2-CD 3.48Å; D653-R656 IonicContact OD2-NH1 2.8Å; D653-M657 HydrophobicContact CB-CG 4.26Å; D653-M657 WeakPolarHBondContact O-CB 3.32Å; D653-M657 PolarHBondContact O-N 2.94Å | ||
| 654 | P | 89.9 | Confident | 91 | Very high | 116 Ų | 116 | 89 Ų | 89 | 75% | 0.753 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.8 | -174.2 | -22.7 | 34.9 | 0 | 0 | 0 | 114.5 | I652 | I652-P654 WeakPolarHBondContact O-CD 3.32Š|
| 655 | N | 90.8 | Very high | 90.5 | Very high | 150 Ų | 150 | 86.2 Ų | 86.2 | 80% | 0.802 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.6 | -179.4 | -59.8 | -44.4 | 0 | 0 | 0 | 113.2 | D653 | D653-N655 PolarHBondContact O-N 2.96Å; D653-N655 WeakPolarHBondContact OD1-CB 3.26Å; D653-N655 PolarHBondContact OD1-N 3.08Å |
| 656 | R | 93.4 | Very high | 90.5 | Very high | 51 Ų | 51 | 89.8 Ų | 89.8 | 19% | 0.192 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | -27.9 | -171.1 | -70.1 | 178.5 | 56.5 | -121 | -0.4 | 114.5 | D653 I671 D672 R673 D678 | D653-R656 HydrophobicContact CB-CB 4.45Å; D653-R656 PolarHBondContact O-N 3.29Å; D653-R656 VanDerWaalsContact O-N 3.09Å; D653-R656 WeakPolarHBondContact OD2-CD 3.48Å; D653-R656 IonicContact OD2-NH1 2.8Å; R656-I671 CarbonylContact O-C 3.54Å; R656-I671 WeakPolarHBondContact O-CA 3.49Å; R656-D672 PolarHBondContact NE-O 2.99Å; R656-D672 PolarHBondContact NH2-O 3.16Å; R656-D672 PolarHBondContact O-N 3.4Å; R656-R673 PolarHBondContact NE-O 2.7Å; R656-R673 PolarHBondContact NH2-O 2.92Å; R656-D678 IonicContact CZ-OD2 3.37Å; R656-D678 IonicContact NH1-OD1 3.65Å; R656-D678 IonicContact NH1-OD2 4Å; R656-D678 IonicContact NH2-OD1 3.07Å; R656-D678 IonicContact NH2-OD2 2.75Å; R656-D678 PolarHBondContact NH2-OD2 3.21Å |
| 657 | M | 95.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 86.6 Ų | 86.6 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.6 | -175.2 | -61.2 | -172.8 | -172.1 | 0 | 0 | 110.6 | L650 I652 D653 L670 I671 D678 | L650-M657 HydrophobicContact CD1-SD 4.37Å; I652-M657 HydrophobicContact CG2-CB 3.88Å; I652-M657 WeakPolarHBondContact CG2-O 3.34Å; D653-M657 HydrophobicContact CB-CG 4.26Å; D653-M657 WeakPolarHBondContact O-CB 3.32Å; D653-M657 PolarHBondContact O-N 2.94Å; M657-L670 WeakPolarHBondContact CA-O 3.49Å; M657-I671 HydrophobicContact CE-CD1 4.23Å; M657-I671 HydrophobicContact CE-CG2 4.14Å; M657-I671 HydrophobicContact CG-CB 4.45Å; M657-I671 HydrophobicContact CG-CG1 4.08Å; M657-I671 HydrophobicContact CG-CG2 4.01Å; M657-I671 HydrophobicContact SD-CD1 4.37Å; M657-D678 VanDerWaalsContact CE-OD1 3.23Å; M657-D678 WeakPolarHBondContact CE-OD1 3.42Å |
| 658 | S | 93.6 | Very high | 90.8 | Very high | 35 Ų | 35 | 78.1 Ų | 78.1 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.2 | 174.5 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | Y660 L670 | S658-Y660 WeakPolarHBondContact OG-CE2 3.46Å; S658-L670 PolarHBondContact N-O 2.9Å; S658-L670 PolarHBondContact O-N 3.43Å |
| 659 | L | 93.3 | Very high | 91 | Very high | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.9 | 178.1 | 177.3 | 61.8 | 0 | 0 | 0 | 109.2 | W643 Q661 | W643-L659 HydrophobicContact CZ2-CD1 3.96Å; W643-L659 VanDerWaalsContact NE1-CD1 3.28Å; L659-Q661 HydrophobicContact CG-CG 4.33Å |
| 660 | Y | 91.8 | Very high | 91.1 | Very high | 126 Ų | 126 | 68.7 Ų | 68.7 | 49% | 0.494 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.7 | 175.7 | -59.8 | -84.6 | 0 | 0 | 0 | 110 | S658 Q667 C668 L670 | S658-Y660 WeakPolarHBondContact OG-CE2 3.46Å; Y660-Q667 WeakPolarHBondContact O-CA 3.43Å; Y660-C668 PolarHBondContact N-O 3.25Å; Y660-C668 PolarHBondContact O-N 2.9Å; Y660-L670 HydrophobicContact CD2-CB 4.42Å; Y660-L670 HydrophobicContact CE2-CB 3.99Å; Y660-L670 HydrophobicContact CE2-CD2 3.97Å |
| 661 | Q | 89.3 | Confident | 91.2 | Very high | 116 Ų | 116 | 67.8 Ų | 67.8 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.3 | 175.7 | -50 | -160.9 | -48 | 0 | 0 | 107.8 | L659 R666 Q667 | L659-Q661 HydrophobicContact CG-CG 4.33Å; Q661-R666 WeakPolarHBondContact CA-O 3.4Å; Q661-Q667 VanDerWaalsContact CG-OE1 3.3Å |
| 662 | D | 83.3 | Confident | 91.5 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -119.8 | 159.2 | 170.7 | 86.1 | 5 | 0 | 0 | 0 | 112.8 | S664 G665 R666 | D662-S664 PolarHBondContact O-N 3.01Å; D662-S664 VanDerWaalsContact OD1-CA 3.27Å; D662-S664 WeakPolarHBondContact OD1-CA 3.3Å; D662-S664 WeakPolarHBondContact OD1-CB 3.34Å; D662-S664 PolarHBondContact OD1-N 3.49Å; D662-S664 PolarHBondContact OD1-OG 2.83Å; D662-S664 PolarHBondContact OD2-OG 3.41Å; D662-S664 VanDerWaalsContact OD2-OG 3.06Å; D662-G665 PolarHBondContact O-N 2.74Å; D662-G665 PolarHBondContact OD1-N 2.82Å; D662-G665 VanDerWaalsContact OD1-N 3.15Å; D662-R666 PolarHBondContact N-O 2.83Å; D662-R666 VanDerWaalsContact N-O 3.08Å; D662-R666 PolarHBondContact OD1-N 3.25Å; D662-R666 IonicContact OD1-NE 3.84Å; D662-R666 IonicContact OD2-CZ 3.61Å; D662-R666 IonicContact OD2-NE 2.72Å; D662-R666 PolarHBondContact OD2-NE 2.98Å; D662-R666 IonicContact OD2-NH2 3.86Å; D662-R666 PolarHBondContact OD2-NH2 3.4Å | ||
| 663 | G | 80.4 | Confident | 91.6 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 100% | 1.021 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 0.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 664 | S | 84.8 | Confident | 91.8 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.2 | 171.2 | 84.7 | 0 | 0 | 0 | 0 | 112.8 | K632 D662 | K632-S664 WeakPolarHBondContact CE-O 3.36Å; D662-S664 PolarHBondContact O-N 3.01Å; D662-S664 VanDerWaalsContact OD1-CA 3.27Å; D662-S664 WeakPolarHBondContact OD1-CA 3.3Å; D662-S664 WeakPolarHBondContact OD1-CB 3.34Å; D662-S664 PolarHBondContact OD1-N 3.49Å; D662-S664 PolarHBondContact OD1-OG 2.83Å; D662-S664 PolarHBondContact OD2-OG 3.41Å; D662-S664 VanDerWaalsContact OD2-OG 3.06Å |
| 665 | G | 86.5 | Confident | 92 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 86.9 | 8.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K632 V633 D662 | K632-G665 WeakPolarHBondContact CA-O 3.45Å; V633-G665 PolarHBondContact N-O 2.85Å; V633-G665 WeakPolarHBondContact O-CA 3.42Å; D662-G665 PolarHBondContact O-N 2.74Å; D662-G665 PolarHBondContact OD1-N 2.82Å; D662-G665 VanDerWaalsContact OD1-N 3.15Å |
| 666 | R | 93.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 57.8 Ų | 57.8 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 144.6 | 172 | -73 | -179.1 | -67.7 | -164.5 | -1.6 | 111.2 | C631 K632 Q661 D662 | C631-R666 WeakPolarHBondContact O-CA 3.45Å; K632-R666 HydrophobicContact CB-CG 4.13Å; K632-R666 HydrophobicContact CD-CG 4.12Å; K632-R666 HydrophobicContact CG-CG 3.88Å; Q661-R666 WeakPolarHBondContact CA-O 3.4Å; D662-R666 PolarHBondContact N-O 2.83Å; D662-R666 VanDerWaalsContact N-O 3.08Å; D662-R666 PolarHBondContact OD1-N 3.25Å; D662-R666 IonicContact OD1-NE 3.84Å; D662-R666 IonicContact OD2-CZ 3.61Å; D662-R666 IonicContact OD2-NE 2.72Å; D662-R666 PolarHBondContact OD2-NE 2.98Å; D662-R666 IonicContact OD2-NH2 3.86Å; D662-R666 PolarHBondContact OD2-NH2 3.4Å |
| 667 | Q | 94.9 | Very high | 92 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 114.3 | -172.2 | -64.4 | -62.3 | -50.6 | 0 | 0 | 108.2 | E630 C631 V633 L641 W643 Y660 Q661 L684 | E630-Q667 CarbonylContact C-O 3.58Å; E630-Q667 VanDerWaalsContact CA-O 3.31Å; E630-Q667 WeakPolarHBondContact CA-O 3.29Å; C631-Q667 PolarHBondContact N-O 3.3Å; C631-Q667 PolarHBondContact O-N 3.49Å; V633-Q667 HydrophobicContact CG2-CG 4.47Å; L641-Q667 HydrophobicContact CD1-CG 3.83Å; L641-Q667 VanDerWaalsContact CD1-NE2 3.34Å; L641-Q667 VanDerWaalsContact CD1-OE1 3.3Å; W643-Q667 HydrophobicContact CZ2-CB 4.5Å; Y660-Q667 WeakPolarHBondContact O-CA 3.43Å; Q661-Q667 VanDerWaalsContact CG-OE1 3.3Å; Q667-L684 HydrophobicContact CB-CD2 4.02Å; Q667-L684 HydrophobicContact CG-CD2 4.15Å |
| 668 | C | 94.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 10% | 0.095 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.1 | -178 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L629 E630 Y660 | L629-C668 WeakPolarHBondContact O-CA 3.2Å; E630-C668 HydrophobicContact CB-CB 4.47Å; E630-C668 HydrophobicContact CG-CB 4.44Å; Y660-C668 PolarHBondContact N-O 3.25Å; Y660-C668 PolarHBondContact O-N 2.9Å |
| 669 | L | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.9 | 165.2 | 174.6 | 62.5 | 0 | 0 | 0 | 109 | R628 L629 W643 L650 I671 Y682 | R628-L669 WeakPolarHBondContact CA-O 3.29Å; L629-L669 HydrophobicContact CB-CB 4.41Å; L629-L669 HydrophobicContact CD1-CD2 4.49Å; L629-L669 PolarHBondContact N-O 2.87Å; L629-L669 PolarHBondContact O-N 2.93Å; W643-L669 HydrophobicContact CD2-CD2 4.47Å; W643-L669 HydrophobicContact CE3-CB 4.31Å; W643-L669 HydrophobicContact CE3-CD2 3.8Å; W643-L669 HydrophobicContact CH2-CB 3.58Å; W643-L669 HydrophobicContact CH2-CD2 4.41Å; W643-L669 HydrophobicContact CZ2-CB 3.91Å; W643-L669 HydrophobicContact CZ3-CB 3.8Å; W643-L669 HydrophobicContact CZ3-CD2 3.76Å; W643-L669 HydrophobicContact CZ3-CG 4.46Å; L650-L669 HydrophobicContact CD2-CD1 4.02Å; L650-L669 HydrophobicContact CD2-CD2 3.53Å; L650-L669 HydrophobicContact CD2-CG 4.44Å; L669-I671 HydrophobicContact CD1-CG1 4.32Å; L669-I671 HydrophobicContact CD2-CD1 4.2Å; L669-I671 HydrophobicContact CD2-CG1 4.43Å; L669-I671 HydrophobicContact CG-CD1 4.37Å; L669-I671 HydrophobicContact CG-CG1 4.06Å; L669-Y682 HydrophobicContact CD2-CD1 3.64Å; L669-Y682 HydrophobicContact CD2-CE1 3.71Å |
| 670 | L | 95.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.9 | 171.9 | 179.5 | 72.3 | 0 | 0 | 0 | 108.5 | T626 I627 R628 M657 S658 Y660 | T626-L670 HydrophobicContact CG2-CD1 3.67Å; T626-L670 HydrophobicContact CG2-CG 4.43Å; I627-L670 WeakPolarHBondContact O-CA 3.32Å; R628-L670 HydrophobicContact CG-CD1 3.51Å; M657-L670 WeakPolarHBondContact CA-O 3.49Å; S658-L670 PolarHBondContact N-O 2.9Å; S658-L670 PolarHBondContact O-N 3.43Å; Y660-L670 HydrophobicContact CD2-CB 4.42Å; Y660-L670 HydrophobicContact CE2-CB 3.99Å; Y660-L670 HydrophobicContact CE2-CD2 3.97Å |
| 671 | I | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.6 | 172.6 | -49.5 | -177.6 | 0 | 0 | 0 | 108.4 | T626 I627 R656 M657 L669 V674 Y682 | T626-I671 CarbonylContact C-O 3.56Å; T626-I671 WeakPolarHBondContact CA-O 3.4Å; I627-I671 HydrophobicContact CD1-CB 4.1Å; I627-I671 HydrophobicContact CD1-CD1 4.12Å; I627-I671 HydrophobicContact CD1-CG1 4.04Å; I627-I671 HydrophobicContact CG1-CB 4.07Å; I627-I671 PolarHBondContact N-O 2.83Å; I627-I671 PolarHBondContact O-N 3.33Å; R656-I671 CarbonylContact O-C 3.54Å; R656-I671 WeakPolarHBondContact O-CA 3.49Å; M657-I671 HydrophobicContact CE-CD1 4.23Å; M657-I671 HydrophobicContact CE-CG2 4.14Å; M657-I671 HydrophobicContact CG-CB 4.45Å; M657-I671 HydrophobicContact CG-CG1 4.08Å; M657-I671 HydrophobicContact CG-CG2 4.01Å; M657-I671 HydrophobicContact SD-CD1 4.37Å; L669-I671 HydrophobicContact CD1-CG1 4.32Å; L669-I671 HydrophobicContact CD2-CD1 4.2Å; L669-I671 HydrophobicContact CD2-CG1 4.43Å; L669-I671 HydrophobicContact CG-CD1 4.37Å; L669-I671 HydrophobicContact CG-CG1 4.06Å; I671-V674 HydrophobicContact CB-CG1 4.22Å; I671-V674 HydrophobicContact CG2-CG1 3.96Å; I671-Y682 HydrophobicContact CD1-CE1 3.84Å; I671-Y682 WeakPolarHBondContact CD1-OH 3.32Å |
| 672 | D | 95.6 | Very high | 92.7 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.5 | 147.3 | 177.3 | -168.5 | 39.4 | 0 | 0 | 0 | 112.8 | T626 R656 V674 | T626-D672 HydrophobicContact CG2-CB 4.27Å; T626-D672 PolarHBondContact OG1-OD1 3.46Å; R656-D672 PolarHBondContact NE-O 2.99Å; R656-D672 PolarHBondContact NH2-O 3.16Å; R656-D672 PolarHBondContact O-N 3.4Å; D672-V674 PolarHBondContact O-N 3.11Å |
| 673 | R | 93.5 | Very high | 93.3 | Very high | 172 Ų | 172 | 49.6 Ų | 49.6 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 47 | 62.5 | -178.7 | -58.9 | 169 | -163.1 | -149.8 | -2.9 | 111.5 | D625 R656 T675 | D625-R673 CarbonylContact O-C 3.51Å; D625-R673 WeakPolarHBondContact O-CA 3.48Å; D625-R673 PolarHBondContact O-N 3.47Å; R656-R673 PolarHBondContact NE-O 2.7Å; R656-R673 PolarHBondContact NH2-O 2.92Å; R673-T675 PolarHBondContact O-N 3.45Å |
| 674 | V | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -58.9 | 136.8 | -175.5 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | A621 L622 E623 G624 D625 I627 I671 D672 I701 | A621-V674 HydrophobicContact CB-CG2 4.17Å; L622-V674 VanDerWaalsContact O-CG2 3.26Å; L622-V674 WeakPolarHBondContact O-CG2 3.38Å; E623-V674 WeakPolarHBondContact CA-O 3.44Å; G624-V674 PolarHBondContact N-O 3.13Å; D625-V674 HydrophobicContact CB-CG2 4.29Å; D625-V674 PolarHBondContact O-N 3.49Å; I627-V674 HydrophobicContact CB-CG1 4.29Å; I627-V674 HydrophobicContact CG1-CG1 3.58Å; I627-V674 HydrophobicContact CG2-CG1 3.88Å; I627-V674 HydrophobicContact CG2-CG2 4.43Å; I671-V674 HydrophobicContact CB-CG1 4.22Å; I671-V674 HydrophobicContact CG2-CG1 3.96Å; D672-V674 PolarHBondContact O-N 3.11Å; V674-I701 HydrophobicContact CB-CD1 3.8Å; V674-I701 HydrophobicContact CG2-CD1 3.99Å; V674-I701 HydrophobicContact CG2-CG1 4.23Å; V674-I701 HydrophobicContact CG2-CG2 4.29Å | ||
| 675 | T | 93.9 | Very high | 94.6 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | trans | -111.8 | 158.9 | 178.8 | 67.7 | 0 | 0 | 0 | 0 | 109.5 | E623 R673 S677 D678 I701 | E623-T675 WeakPolarHBondContact OE1-CA 3.48Å; R673-T675 PolarHBondContact O-N 3.45Å; T675-S677 PolarHBondContact O-N 2.63Å; T675-D678 WeakPolarHBondContact CA-OD2 3.19Å; T675-D678 WeakPolarHBondContact CB-OD2 3.26Å; T675-D678 PolarHBondContact N-OD2 2.67Å; T675-D678 WeakPolarHBondContact O-CB 3.38Å; T675-D678 PolarHBondContact O-N 3.31Å; T675-D678 PolarHBondContact OG1-OD2 3.49Å; T675-I701 WeakPolarHBondContact O-CD1 3.31Å | ||
| 676 | K | 92.9 | Very high | 95.1 | Very high | 143 Ų | 143 | 41.9 Ų | 41.9 | 62% | 0.622 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -51.2 | -28.1 | 178 | -167.7 | 172.8 | -178.1 | 176.4 | 0 | 114.2 | E623 D678 S679 | E623-K676 PolarHBondContact OE1-N 3.26Å; K676-D678 VanDerWaalsContact C-N 3.33Å; K676-D678 PolarHBondContact O-N 3.33Å; K676-S679 VanDerWaalsContact O-CB 3.3Å; K676-S679 WeakPolarHBondContact O-CB 3.13Å; K676-S679 PolarHBondContact O-N 3.14Å |
| 677 | S | 92.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -68.9 | -24.3 | 176 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | K645 T675 S679 | K645-S677 PolarHBondContact NZ-O 2.91Å; T675-S677 PolarHBondContact O-N 2.63Å; S677-S679 VanDerWaalsContact C-N 3.26Å; S677-S679 PolarHBondContact O-N 3.1Å |
| 678 | D | 93.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -77.2 | -14.5 | 178.9 | -57.2 | -66.8 | 0 | 0 | 0 | 111.9 | K645 R656 M657 T675 K676 G680 Y682 I701 | K645-D678 VanDerWaalsContact CE-C 3.49Å; K645-D678 WeakPolarHBondContact CE-O 3.49Å; R656-D678 IonicContact CZ-OD2 3.37Å; R656-D678 IonicContact NH1-OD1 3.65Å; R656-D678 IonicContact NH1-OD2 4Å; R656-D678 IonicContact NH2-OD1 3.07Å; R656-D678 IonicContact NH2-OD2 2.75Å; R656-D678 PolarHBondContact NH2-OD2 3.21Å; M657-D678 VanDerWaalsContact CE-OD1 3.23Å; M657-D678 WeakPolarHBondContact CE-OD1 3.42Å; T675-D678 WeakPolarHBondContact CA-OD2 3.19Å; T675-D678 WeakPolarHBondContact CB-OD2 3.26Å; T675-D678 PolarHBondContact N-OD2 2.67Å; T675-D678 WeakPolarHBondContact O-CB 3.38Å; T675-D678 PolarHBondContact O-N 3.31Å; T675-D678 PolarHBondContact OG1-OD2 3.49Å; K676-D678 VanDerWaalsContact C-N 3.33Å; K676-D678 PolarHBondContact O-N 3.33Å; D678-G680 PolarHBondContact O-N 2.96Å; D678-Y682 WeakPolarHBondContact O-CE2 3.39Å; D678-Y682 PolarHBondContact O-OH 3.26Å; D678-Y682 VanDerWaalsContact O-OH 3.09Å; D678-I701 HydrophobicContact CB-CD1 3.81Å |
| 679 | S | 95.4 | Very high | 95 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | trans | -57.7 | 128.9 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | K645 K676 S677 R698 L699 | K645-S679 PolarHBondContact NZ-O 2.81Å; K676-S679 VanDerWaalsContact O-CB 3.3Å; K676-S679 WeakPolarHBondContact O-CB 3.13Å; K676-S679 PolarHBondContact O-N 3.14Å; S677-S679 VanDerWaalsContact C-N 3.26Å; S677-S679 PolarHBondContact O-N 3.1Å; S679-R698 PolarHBondContact OG-NH2 3.4Å; S679-L699 CarbonylContact C-O 3.59Å; S679-L699 WeakPolarHBondContact CA-O 3.5Å; S679-L699 PolarHBondContact OG-O 3.15Å | ||
| 680 | G | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | 173.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D646 D678 R698 L699 | D646-G680 VanDerWaalsContact OD1-CA 3.28Å; D646-G680 WeakPolarHBondContact OD1-CA 3.31Å; D646-G680 WeakPolarHBondContact OD2-CA 3.36Å; D678-G680 PolarHBondContact O-N 2.96Å; G680-R698 VanDerWaalsContact CA-NH1 3.29Å; G680-L699 PolarHBondContact N-O 3.34Å; G680-L699 PolarHBondContact O-N 3.14Å |
| 681 | W | 97 | Very high | 94.5 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 47% | 0.466 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 111.4 | 167.7 | -73.2 | 101.2 | 0 | 0 | 0 | 110.6 | D646 A697 R698 | D646-W681 PolarHBondContact N-O 2.89Å; D646-W681 PolarHBondContact OD1-N 3.47Å; W681-A697 CarbonylContact C-O 3.6Å; W681-A697 WeakPolarHBondContact CA-O 3.47Å; W681-R698 HydrophobicContact CD2-CB 4.35Å; W681-R698 HydrophobicContact CE3-CB 3.95Å; W681-R698 HydrophobicContact CH2-CB 4.03Å; W681-R698 HydrophobicContact CZ2-CB 4.4Å; W681-R698 HydrophobicContact CZ3-CB 3.79Å |
| 682 | Y | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126 | 174.1 | -74.1 | -100.4 | 0 | 0 | 0 | 109.3 | M616 L629 K644 K645 L650 L669 I671 D678 N696 A697 L699 | M616-Y682 WeakPolarHBondContact CE-O 3.29Å; L629-Y682 HydrophobicContact CD1-CD1 3.78Å; L629-Y682 HydrophobicContact CD1-CD2 3.8Å; L629-Y682 HydrophobicContact CD1-CE1 4.42Å; L629-Y682 HydrophobicContact CD1-CE2 4.46Å; L629-Y682 HydrophobicContact CD1-CG 3.43Å; L629-Y682 VanDerWaalsContact CD1-CG 3.43Å; K644-Y682 WeakPolarHBondContact O-CA 3.17Å; K645-Y682 HydrophobicContact CD-CE1 4.45Å; K645-Y682 HydrophobicContact CD-CE2 4.35Å; K645-Y682 HydrophobicContact CG-CE1 4.4Å; K645-Y682 HydrophobicContact CG-CE2 4.28Å; L650-Y682 HydrophobicContact CD1-CD1 4.49Å; L650-Y682 HydrophobicContact CD1-CE1 3.86Å; L669-Y682 HydrophobicContact CD2-CD1 3.64Å; L669-Y682 HydrophobicContact CD2-CE1 3.71Å; I671-Y682 HydrophobicContact CD1-CE1 3.84Å; I671-Y682 WeakPolarHBondContact CD1-OH 3.32Å; D678-Y682 WeakPolarHBondContact O-CE2 3.39Å; D678-Y682 PolarHBondContact O-OH 3.26Å; D678-Y682 VanDerWaalsContact O-OH 3.09Å; Y682-N696 CarbonylContact O-C 3.58Å; Y682-N696 WeakPolarHBondContact O-CA 3.4Å; Y682-A697 PolarHBondContact N-O 3.37Å; Y682-A697 PolarHBondContact O-N 2.96Å; Y682-L699 HydrophobicContact CD2-CB 3.96Å; Y682-L699 HydrophobicContact CE2-CB 3.84Å; Y682-L699 HydrophobicContact CE2-CD2 3.82Å; Y682-L699 HydrophobicContact CE2-CG 4.47Å |
| 683 | T | 96.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125 | -178 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | W643 K644 C695 N696 | W643-T683 CarbonylContact C-O 3.48Å; K644-T683 PolarHBondContact N-O 3.13Å; K644-T683 PolarHBondContact O-N 3.03Å; T683-C695 CarbonylContact C-O 3.53Å; T683-C695 VanDerWaalsContact CA-O 3.31Å; T683-C695 WeakPolarHBondContact CA-O 3.5Å; T683-N696 WeakPolarHBondContact CG2-ND2 3.45Å; T683-N696 PolarHBondContact OG1-ND2 3.29Å |
| 684 | L | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.4 | 170.3 | 179.9 | 52.7 | 0 | 0 | 0 | 109.2 | F612 M616 L641 F642 W643 Q667 T694 C695 | F612-L684 HydrophobicContact CE1-CB 4.39Å; F612-L684 HydrophobicContact CE1-CD2 4.04Å; F612-L684 HydrophobicContact CE1-CG 4.17Å; F612-L684 HydrophobicContact CZ-CB 4.35Å; F612-L684 HydrophobicContact CZ-CD2 4.41Å; F612-L684 HydrophobicContact CZ-CG 4.08Å; F612-L684 WeakPolarHBondContact CZ-O 3.44Å; M616-L684 HydrophobicContact CE-CB 4.01Å; L641-L684 HydrophobicContact CB-CD1 4.16Å; L641-L684 HydrophobicContact CD2-CD1 4.29Å; L641-L684 HydrophobicContact CD2-CG 4.5Å; F642-L684 WeakPolarHBondContact O-CD1 3.3Å; W643-L684 HydrophobicContact CD2-CB 4.37Å; W643-L684 HydrophobicContact CD2-CD1 4.14Å; W643-L684 HydrophobicContact CE3-CB 4.49Å; W643-L684 HydrophobicContact CG-CD1 3.98Å; W643-L684 HydrophobicContact CZ2-CD2 3.86Å; Q667-L684 HydrophobicContact CB-CD2 4.02Å; Q667-L684 HydrophobicContact CG-CD2 4.15Å; L684-T694 WeakPolarHBondContact O-CA 3.4Å; L684-C695 PolarHBondContact N-O 3.19Å; L684-C695 PolarHBondContact O-N 3.02Å |
| 685 | S | 95.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.6 | 170.3 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | L641 F642 | L641-S685 WeakPolarHBondContact CA-O 3.44Å; F642-S685 PolarHBondContact N-O 3.34Å; F642-S685 PolarHBondContact O-N 2.85Å |
| 686 | A | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | P610 F612 V633 P639 Q640 L641 M692 S693 | P610-A686 HydrophobicContact CB-CB 3.68Å; P610-A686 HydrophobicContact CG-CB 4.33Å; F612-A686 HydrophobicContact CE2-CB 4.08Å; F612-A686 HydrophobicContact CZ-CB 3.99Å; V633-A686 HydrophobicContact CG1-CB 4.02Å; P639-A686 HydrophobicContact CB-CB 4.29Å; P639-A686 HydrophobicContact CG-CB 4.49Å; Q640-A686 WeakPolarHBondContact O-CA 3.34Å; L641-A686 HydrophobicContact CD2-CB 3.48Å; L641-A686 VanDerWaalsContact CD2-CB 3.48Å; A686-M692 CarbonylContact O-C 3.59Å; A686-M692 VanDerWaalsContact O-CA 3.27Å; A686-M692 WeakPolarHBondContact O-CA 3.48Å; A686-S693 PolarHBondContact N-O 3.26Å; A686-S693 PolarHBondContact O-N 3.37Å |
| 687 | I | 95.2 | Very high | 95 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 128.9 | -172.5 | -46.6 | -176.4 | 0 | 0 | 0 | 110.2 | P639 Q640 F642 M692 | P639-I687 CarbonylContact C-O 3.53Å; P639-I687 VanDerWaalsContact CA-O 3.29Å; P639-I687 WeakPolarHBondContact CA-O 3.44Å; Q640-I687 PolarHBondContact N-O 2.87Å; Q640-I687 PolarHBondContact O-N 2.94Å; F642-I687 HydrophobicContact CD2-CD1 4.05Å; F642-I687 HydrophobicContact CD2-CG1 4.32Å; F642-I687 HydrophobicContact CE2-CD1 3.78Å; F642-I687 HydrophobicContact CE2-CG1 4.15Å; I687-M692 HydrophobicContact CD1-CG 4.47Å; I687-M692 HydrophobicContact CD1-SD 3.9Å; I687-M692 HydrophobicContact CG1-CB 4.22Å; I687-M692 HydrophobicContact CG1-CG 3.9Å; I687-M692 HydrophobicContact CG1-SD 3.99Å; I687-M692 HydrophobicContact CG2-CB 4.48Å |
| 688 | N | 94.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | -175.7 | 161.8 | 74.2 | -0.1 | 0 | 0 | 0 | 109.7 | R608 P610 S636 P637 P639 A690 G691 | R608-N688 PolarHBondContact O-ND2 2.95Å; P610-N688 WeakPolarHBondContact CD-OD1 3.33Å; P610-N688 HydrophobicContact CG-CB 4.35Å; S636-N688 PolarHBondContact O-ND2 2.88Å; P637-N688 PolarHBondContact O-ND2 3.32Å; P639-N688 HydrophobicContact CB-CB 4.41Å; N688-A690 VanDerWaalsContact C-N 3.26Å; N688-A690 PolarHBondContact O-N 2.89Å; N688-A690 WeakPolarHBondContact OD1-CB 3.5Å; N688-A690 PolarHBondContact OD1-N 3.08Å; N688-G691 PolarHBondContact N-O 2.92Å; N688-G691 PolarHBondContact O-N 2.78Å; N688-G691 PolarHBondContact OD1-N 2.78Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å; N688-G691 PolarHBondContact OD1-O 3.13Å |
| 689 | E | 92.2 | Very high | 95.4 | Very high | 145 Ų | 145 | 40.4 Ų | 40.4 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.6 | -178.9 | 66.5 | -168.2 | 155.7 | 0 | 0 | 114.3 | L607 P637 | L607-E689 HydrophobicContact CD1-CG 4.5Å; L607-E689 HydrophobicContact CD2-CG 4.33Å; L607-E689 WeakPolarHBondContact CD2-OE1 3.35Å; P637-E689 WeakPolarHBondContact CD-OE1 3.11Å; P637-E689 VanDerWaalsContact CG-OE1 3.23Å; P637-E689 WeakPolarHBondContact CG-OE1 3.14Å |
| 690 | A | 88.3 | Confident | 95.4 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L607 P609 N688 | L607-A690 HydrophobicContact CB-CB 4.03Å; P609-A690 HydrophobicContact CB-CB 4.15Å; N688-A690 VanDerWaalsContact C-N 3.26Å; N688-A690 PolarHBondContact O-N 2.89Å; N688-A690 WeakPolarHBondContact OD1-CB 3.5Å; N688-A690 PolarHBondContact OD1-N 3.08Å |
| 691 | G | 92.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -165.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P610 N688 | P610-G691 WeakPolarHBondContact CD-O 3.3Å; N688-G691 PolarHBondContact N-O 2.92Å; N688-G691 PolarHBondContact O-N 2.78Å; N688-G691 PolarHBondContact OD1-N 2.78Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å; N688-G691 PolarHBondContact OD1-O 3.13Å |
| 692 | M | 96.2 | Very high | 95.2 | Very high | 125 Ų | 125 | 38.2 Ų | 38.2 | 62% | 0.616 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.8 | -179.5 | 172.7 | 172.8 | 66.3 | 0 | 0 | 111 | A686 I687 | A686-M692 CarbonylContact O-C 3.59Å; A686-M692 VanDerWaalsContact O-CA 3.27Å; A686-M692 WeakPolarHBondContact O-CA 3.48Å; I687-M692 HydrophobicContact CD1-CG 4.47Å; I687-M692 HydrophobicContact CD1-SD 3.9Å; I687-M692 HydrophobicContact CG1-CB 4.22Å; I687-M692 HydrophobicContact CG1-CG 3.9Å; I687-M692 HydrophobicContact CG1-SD 3.99Å; I687-M692 HydrophobicContact CG2-CB 4.48Å |
| 693 | S | 96.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.9 | 170.4 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | P610 A686 | P610-S693 WeakPolarHBondContact O-CB 3.29Å; P610-S693 PolarHBondContact O-OG 2.94Å; A686-S693 PolarHBondContact N-O 3.26Å; A686-S693 PolarHBondContact O-N 3.37Å |
| 694 | T | 96.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.5 | -177 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | L684 | L684-T694 WeakPolarHBondContact O-CA 3.4Å |
| 695 | C | 95.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.7 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | F612 M616 T683 L684 | F612-C695 HydrophobicContact CB-CB 4.42Å; F612-C695 HydrophobicContact CD1-CB 3.4Å; F612-C695 VanDerWaalsContact CD1-CB 3.4Å; F612-C695 HydrophobicContact CD2-CB 3.89Å; F612-C695 HydrophobicContact CE1-CB 3.43Å; F612-C695 VanDerWaalsContact CE1-CB 3.43Å; F612-C695 HydrophobicContact CE2-CB 3.93Å; F612-C695 HydrophobicContact CG-CB 3.64Å; F612-C695 HydrophobicContact CZ-CB 3.7Å; M616-C695 HydrophobicContact CE-CB 4.22Å; M616-C695 WeakPolarHBondContact CE-O 3.46Å; M616-C695 PolarHBondContact N-SG 2.99Å; T683-C695 CarbonylContact C-O 3.53Å; T683-C695 VanDerWaalsContact CA-O 3.31Å; T683-C695 WeakPolarHBondContact CA-O 3.5Å; L684-C695 PolarHBondContact N-O 3.19Å; L684-C695 PolarHBondContact O-N 3.02Å |
| 696 | N | 96.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.6 | -174.2 | -58.8 | 60.8 | 0 | 0 | 0 | 109.4 | Y682 T683 | Y682-N696 CarbonylContact O-C 3.58Å; Y682-N696 WeakPolarHBondContact O-CA 3.4Å; T683-N696 WeakPolarHBondContact CG2-ND2 3.45Å; T683-N696 PolarHBondContact OG1-ND2 3.29Å |
| 697 | A | 97 | Very high | 89.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 152.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M616 L617 N618 W681 Y682 | M616-A697 HydrophobicContact CB-CB 3.54Å; L617-A697 WeakPolarHBondContact O-CB 3.08Å; N618-A697 WeakPolarHBondContact OD1-CA 3.38Å; W681-A697 CarbonylContact C-O 3.6Å; W681-A697 WeakPolarHBondContact CA-O 3.47Å; Y682-A697 PolarHBondContact N-O 3.37Å; Y682-A697 PolarHBondContact O-N 2.96Å |
| 698 | R | 96.5 | Very high | 87.3 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.1 | 175 | -175 | 70.9 | -164.3 | 157.6 | 17 | 110.2 | N618 T619 D646 S679 G680 W681 D700 | N618-R698 CarbonylContact C-O 3.53Å; N618-R698 VanDerWaalsContact CA-O 3.28Å; N618-R698 WeakPolarHBondContact CA-O 3.43Å; N618-R698 HydrophobicContact CB-CB 4.32Å; N618-R698 PolarHBondContact OD1-N 3.29Å; T619-R698 PolarHBondContact N-O 3.17Å; D646-R698 IonicContact OD1-NH1 3.8Å; S679-R698 PolarHBondContact OG-NH2 3.4Å; G680-R698 VanDerWaalsContact CA-NH1 3.29Å; W681-R698 HydrophobicContact CD2-CB 4.35Å; W681-R698 HydrophobicContact CE3-CB 3.95Å; W681-R698 HydrophobicContact CH2-CB 4.03Å; W681-R698 HydrophobicContact CZ2-CB 4.4Å; W681-R698 HydrophobicContact CZ3-CB 3.79Å; R698-D700 IonicContact CZ-OD1 3.13Å; R698-D700 IonicContact NE-OD1 2.72Å; R698-D700 PolarHBondContact NE-OD1 2.86Å; R698-D700 IonicContact NH2-OD1 2.69Å; R698-D700 PolarHBondContact NH2-OD1 2.78Å; R698-D700 VanDerWaalsContact NH2-OD1 3.07Å |
| 699 | L | 96.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.6 | 164.3 | 178.7 | 60.8 | 0 | 0 | 0 | 108.5 | T619 I627 S679 G680 Y682 I701 | T619-L699 HydrophobicContact CG2-CD1 4.14Å; T619-L699 WeakPolarHBondContact O-CA 3.34Å; I627-L699 HydrophobicContact CD1-CD1 4.42Å; I627-L699 HydrophobicContact CD1-CD2 3.98Å; I627-L699 HydrophobicContact CG1-CD1 4.18Å; I627-L699 HydrophobicContact CG1-CD2 4.03Å; I627-L699 HydrophobicContact CG2-CD1 4.38Å; S679-L699 CarbonylContact C-O 3.59Å; S679-L699 WeakPolarHBondContact CA-O 3.5Å; S679-L699 PolarHBondContact OG-O 3.15Å; G680-L699 PolarHBondContact N-O 3.34Å; G680-L699 PolarHBondContact O-N 3.14Å; Y682-L699 HydrophobicContact CD2-CB 3.96Å; Y682-L699 HydrophobicContact CE2-CB 3.84Å; Y682-L699 HydrophobicContact CE2-CD2 3.82Å; Y682-L699 HydrophobicContact CE2-CG 4.47Å; L699-I701 HydrophobicContact CD1-CG1 4.43Å; L699-I701 HydrophobicContact CD2-CD1 4.23Å; L699-I701 HydrophobicContact CG-CD1 4.3Å; L699-I701 HydrophobicContact CG-CG1 4.19Å |
| 700 | D | 96.2 | Very high | 83.3 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.8 | 172.8 | -63.5 | -43.6 | 0 | 0 | 0 | 110.1 | T619 R620 A621 R698 | T619-D700 PolarHBondContact O-N 3.25Å; R620-D700 WeakPolarHBondContact CA-O 3.21Å; R620-D700 HydrophobicContact CG-CB 4.34Å; A621-D700 PolarHBondContact N-O 2.87Å; R698-D700 IonicContact CZ-OD1 3.13Å; R698-D700 IonicContact NE-OD1 2.72Å; R698-D700 PolarHBondContact NE-OD1 2.86Å; R698-D700 IonicContact NH2-OD1 2.69Å; R698-D700 PolarHBondContact NH2-OD1 2.78Å; R698-D700 VanDerWaalsContact NH2-OD1 3.07Å |
| 701 | I | 95.7 | Very high | 81.4 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 13% | 0.133 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.4 | -172.1 | -61.2 | 170.6 | 0 | 0 | 0 | 110.1 | A621 E623 V674 T675 D678 L699 | A621-I701 CarbonylContact O-C 3.59Å; A621-I701 WeakPolarHBondContact O-CA 3.45Å; E623-I701 HydrophobicContact CB-CG2 4.2Å; V674-I701 HydrophobicContact CB-CD1 3.8Å; V674-I701 HydrophobicContact CG2-CD1 3.99Å; V674-I701 HydrophobicContact CG2-CG1 4.23Å; V674-I701 HydrophobicContact CG2-CG2 4.29Å; T675-I701 WeakPolarHBondContact O-CD1 3.31Å; D678-I701 HydrophobicContact CB-CD1 3.81Å; L699-I701 HydrophobicContact CD1-CG1 4.43Å; L699-I701 HydrophobicContact CD2-CD1 4.23Å; L699-I701 HydrophobicContact CG-CD1 4.3Å; L699-I701 HydrophobicContact CG-CG1 4.19Å |
| 702 | G | 91.6 | Very high | 79.6 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 32% | 0.32 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A621 L622 E623 | A621-G702 PolarHBondContact O-N 3.27Å; L622-G702 CarbonylContact C-O 3.53Å; L622-G702 VanDerWaalsContact CA-O 3.31Å; L622-G702 WeakPolarHBondContact CA-O 3.39Å; E623-G702 PolarHBondContact N-O 2.85Å |
| 703 | T | 88.4 | Confident | 77.5 | Confident | 76 Ų | 76 | 86 Ų | 86 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | trans | -76.6 | 136.9 | 171.9 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | T705 | T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 2.83Å | ||
| 704 | R | 78.8 | Confident | 75.1 | Confident | 161 Ų | 161 | 90 Ų | 90 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | trans | -70.5 | 79.9 | 170.8 | -68.7 | -179.9 | 174.9 | -112.8 | -1.5 | 110.6 | L622 E623 D625 T706 | L622-R704 HydrophobicContact CB-CG 3.95Å; L622-R704 HydrophobicContact CD1-CG 4.17Å; L622-R704 HydrophobicContact CG-CG 4.49Å; E623-R704 PolarHBondContact O-NE 3.07Å; D625-R704 IonicContact OD1-CZ 3.61Å; D625-R704 IonicContact OD1-NE 2.69Å; D625-R704 IonicContact OD1-NH2 3.65Å; D625-R704 PolarHBondContact OD1-NH2 3.01Å; R704-T706 PolarHBondContact O-N 2.92Å; R704-T706 VanDerWaalsContact O-N 3.09Å | ||
| 705 | T | 70.3 | Confident | 72.8 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 69% | 0.693 | 54% | 0.539 | S | S | * | . | trans | -72.1 | 99 | 171.6 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | T703 | T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 2.83Å | ||
| 706 | T | 60.9 | Low | 70.3 | Confident | 125 Ų | 125 | 96 Ų | 96 | 77% | 0.767 | 57% | 0.569 | S | S | * | * | trans | -57.1 | 125.9 | 160.9 | 42 | 0 | 0 | 0 | 0 | 108.1 | R704 A708 | R704-T706 PolarHBondContact O-N 2.92Å; R704-T706 VanDerWaalsContact O-N 3.09Å; T706-A708 PolarHBondContact O-N 3.41Å | ||
| 707 | P | 56.7 | Low | 67.8 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | trans | -68 | 105.3 | 177.8 | 26.7 | -32.3 | 0 | 0 | 0 | 108.1 | L709 | P707-L709 PolarHBondContact O-N 3.25Š| ||
| 708 | A | 56.7 | Low | 64.9 | Low | 90 Ų | 90 | 107.4 Ų | 107.4 | 74% | 0.744 | 63% | 0.626 | S | S | * | * | trans | -57 | 115 | 178 | 0 | 0 | 0 | 0 | 0 | 109.3 | T706 K710 | T706-A708 PolarHBondContact O-N 3.41Å; A708-K710 PolarHBondContact O-N 3.29Å | ||
| 709 | L | 53.1 | Low | 62.1 | Low | 169 Ų | 169 | 113.6 Ų | 113.6 | 89% | 0.885 | 66% | 0.661 | S | S | * | * | trans | -55 | 109.1 | 174.2 | -83 | 164 | 0 | 0 | 0 | 108.3 | P707 M711 | P707-L709 PolarHBondContact O-N 3.25Å; L709-M711 PolarHBondContact O-N 3.47Å | ||
| 710 | K | 48.5 | Very low | 59.4 | Low | 204 Ų | 204 | 122.6 Ų | 122.6 | 89% | 0.887 | 70% | 0.701 | S | S | * | * | trans | -62.6 | 102.1 | 174.3 | -73.8 | -178.3 | 177.3 | 177.6 | 0 | 107.8 | A708 A712 | A708-K710 PolarHBondContact O-N 3.29Å; K710-A712 PolarHBondContact O-N 3.49Å | ||
| 711 | M | 49.1 | Very low | 56.5 | Low | 183 Ų | 183 | 127.2 Ų | 127.2 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | trans | -54.3 | 115.2 | 170.1 | -68.4 | 177.2 | 67.5 | 0 | 0 | 108.2 | L709 | L709-M711 PolarHBondContact O-N 3.47Š| ||
| 712 | A | 53.1 | Low | 53.7 | Low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -63.8 | 139.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | K710 | K710-A712 PolarHBondContact O-N 3.49Š| ||
| 713 | P | 54 | Low | 51 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -63.3 | 140.6 | 176.5 | 27.2 | -34.1 | 0 | 0 | 0 | 110 | A715 | P713-A715 PolarHBondContact O-N 3.36Å; P713-A715 VanDerWaalsContact O-N 3.11Å | ||
| 714 | P | 45.8 | Very low | 48.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 113.3 | -176.2 | 25.9 | -33.8 | 0 | 0 | 0 | 111 | S716 | P714-S716 PolarHBondContact O-N 3.3Š| ||
| 715 | A | 47 | Very low | 46.3 | Very low | 112 Ų | 112 | 138 Ų | 138 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 101.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P713 | P713-A715 PolarHBondContact O-N 3.36Å; P713-A715 VanDerWaalsContact O-N 3.11Å | ||
| 716 | S | 45.1 | Very low | 44.6 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | -121.2 | 131 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | P714 | P714-S716 PolarHBondContact O-N 3.3Š| ||
| 717 | K | 41.8 | Very low | 43.6 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 71 | 116.4 | -173.1 | -44.4 | 160.8 | -172.2 | 174.3 | 0 | 111.5 | ||||
| 718 | T | 37.6 | Very low | 42.7 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | -170.8 | 126.7 | 57.3 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 719 | L | 37 | Very low | 42.4 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -139 | 112.4 | 157.9 | -85 | 178.4 | 0 | 0 | 0 | 109.8 | ||||
| 720 | K | 39.8 | Very low | 41.5 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -145.1 | 129.8 | 162.1 | -100.7 | -169.5 | 175.1 | -175.5 | 0 | 107.4 | ||||
| 721 | L | 35.6 | Very low | 40.6 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 48.8 | 111.2 | 169.3 | -79.6 | 64.2 | 0 | 0 | 0 | 116.3 | ||||
| 722 | L | 38.1 | Very low | 39.9 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | -160.1 | 110.7 | 98.4 | -103.9 | 164.6 | 0 | 0 | 0 | 110.5 | |||||
| 723 | S | 33.6 | Very low | 39.1 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -120.6 | 103.5 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 724 | S | 32.9 | Very low | 38.1 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -173.9 | 147 | 166.1 | 37.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 725 | L | 35.6 | Very low | 37.5 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 57.1 | 102.1 | 158.5 | -58.5 | 161.2 | 0 | 0 | 0 | 116 | ||||
| 726 | S | 36 | Very low | 37.6 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | 66 | 100 | 34.6 | 94.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 727 | H | 39 | Very low | 37.3 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -166.9 | 142.9 | 132.8 | -88.3 | -55.3 | 0 | 0 | 0 | 111 | ||||
| 728 | L | 37.9 | Very low | 36.8 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -123.8 | 154.3 | 168.1 | -66.9 | 171.7 | 0 | 0 | 0 | 107 | ||||
| 729 | P | 50.9 | Low | 36.7 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -129.6 | 157.5 | 78.2 | 11.4 | 12 | 0 | 0 | 0 | 112.5 | |||||
| 730 | A | 32.6 | Very low | 36.5 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | cis | 99.3 | 106.3 | 27.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 731 | L | 31.2 | Very low | 36.1 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -144 | 115.8 | 154.5 | -86.8 | -178 | 0 | 0 | 0 | 110.2 | ||||
| 732 | T | 33.8 | Very low | 36.5 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | trans | 23.6 | 120.4 | 143.8 | 52.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 733 | V | 36.7 | Very low | 36.1 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | 73.8 | 124.8 | 66.2 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 734 | E | 32 | Very low | 36 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | cis | -128.3 | 172.3 | 45.2 | -71.3 | -174.6 | 137.6 | 0 | 0 | 118.5 | ||||
| 735 | S | 33.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -135.9 | 170.9 | 165.6 | -139 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 736 | P | 49.4 | Very low | 35.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -148.3 | -158 | 47.7 | 46.2 | -24.1 | 0 | 0 | 0 | 112.1 | ||||
| 737 | A | 37.4 | Very low | 35.9 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 58% | 0.579 | 76% | 0.761 | S | S | * | * | cis | -151.3 | 147.2 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 738 | Q | 33.1 | Very low | 36.1 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | 45.8 | 150.9 | 129.5 | -57.7 | 169.4 | -12.1 | 0 | 0 | 120.9 | |||||
| 739 | H | 33.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -159 | 154.7 | 33.9 | -131.7 | -72.9 | 0 | 0 | 0 | 112.8 | ||||
| 740 | T | 33.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 61 | 120.9 | 157.5 | 33.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 741 | A | 31.7 | Very low | 35.7 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -93.8 | 169.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 742 | P | 44.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -117.6 | 160.7 | 66.2 | 4 | 19.7 | 0 | 0 | 0 | 112.6 | |||||
| 743 | L | 29.1 | Very low | 36 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | 76 | 132.6 | 54 | -98.3 | 171.3 | 0 | 0 | 0 | 116.1 | |||||
| 744 | Y | 31.1 | Very low | 36 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 96.3 | 127.8 | 157 | -114.3 | -121.8 | 0 | 0 | 0 | 121.9 | ||||
| 745 | E | 32 | Very low | 36.3 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | 52.4 | 156.8 | 150.3 | -73.5 | 178.3 | 164.6 | 0 | 0 | 121.3 | ||||
| 746 | S | 34.3 | Very low | 36.5 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | -168.5 | 175 | -21.9 | 53.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 747 | E | 37.1 | Very low | 35.5 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 70.7 | -176 | 153.1 | -75.2 | 177.7 | 159.6 | 0 | 0 | 120.7 | ||||
| 748 | E | 41.5 | Very low | 35.3 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -88.2 | 155.3 | -143.9 | -50.5 | 177.2 | 123.2 | 0 | 0 | 116 | ||||
| 749 | L | 42.2 | Very low | 35.5 | Very low | 245 Ų | 245 | 151.8 Ų | 151.8 | 100% | 1.283 | 80% | 0.799 | S | S | * | * | -167.5 | 0 | 113.1 | -101.9 | 164 | 0 | 0 | 0 | 113 |
Retrieved 749 of 749 residues in 210 ms
(Link to these results)