| 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 | 32.8 | Very low | 41.7 | Very low | 234 Ų | 234 | 140.8 Ų | 140.8 | 100% | 1.153 | 83% | 0.833 | S | S | * | * | 0 | 141.6 | 0 | -68.5 | 172 | 68.2 | 0 | 0 | 107.9 | |||||
| 2 | P | 36.4 | Very low | 42.4 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -75.1 | 164.6 | 174.1 | 33.1 | -35.1 | 0 | 0 | 0 | 111.7 | ||||
| 3 | Q | 34.4 | Very low | 41.8 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -116.9 | 162.4 | 167.6 | -92.2 | -152.8 | -8.2 | 0 | 0 | 111.1 | ||||
| 4 | P | 45.8 | Very low | 41.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -92.2 | 172.9 | -149.8 | 36.1 | -37.6 | 0 | 0 | 0 | 115.6 | ||||
| 5 | S | 36.7 | Very low | 40.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -82.3 | 142 | -174 | 52.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 6 | V | 41.7 | Very low | 40.9 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -124.3 | 126.2 | 145.2 | -70.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 7 | S | 41.5 | Very low | 40.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | 79 | 111.9 | 35.5 | -161.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 8 | G | 43.4 | Very low | 40.4 | Very low | 60 Ų | 60 | 143.4 Ų | 143.4 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | 92.4 | 73 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 9 | M | 40.7 | Very low | 39.8 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -157.2 | 109.8 | 148.9 | -92.5 | -56.3 | 98.6 | 0 | 0 | 110 | ||||
| 10 | D | 47.9 | Very low | 39.3 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 139.4 | 171.2 | -69.6 | -60.9 | 0 | 0 | 0 | 110.9 | ||
| 11 | P | 57.8 | Low | 38.9 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 132.6 | 170.9 | -16.1 | 30.5 | 0 | 0 | 0 | 111.3 | ||
| 12 | P | 49.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -67.9 | 152.1 | 166.6 | 29.8 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 13 | F | 35.4 | Very low | 38.6 | Very low | 208 Ų | 208 | 142 Ų | 142 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | trans | 82.3 | 70.2 | -170.2 | -53 | -68.1 | 0 | 0 | 0 | 115.5 | D15 | F13-D15 PolarHBondContact O-N 2.99Š| ||
| 14 | G | 33.2 | Very low | 38.5 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 114.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 15 | D | 35.2 | Very low | 37.7 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -86 | 124.2 | 168.9 | 178.8 | 21.9 | 0 | 0 | 0 | 109.7 | F13 | F13-D15 PolarHBondContact O-N 2.99Š| ||
| 16 | A | 41.4 | Very low | 37.6 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -110.4 | 14.1 | -156.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 17 | F | 36.8 | Very low | 37.2 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -133.5 | 87.8 | 177.9 | -69.1 | -75 | 0 | 0 | 0 | 113.4 | ||||
| 18 | R | 36.3 | Very low | 36.7 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -107 | 117.1 | 158.5 | -72.4 | -170 | 179.8 | -87.5 | -6.3 | 110.1 | H20 | R18-H20 PolarHBondContact O-N 2.85Š| ||
| 19 | S | 30 | Very low | 36 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 121.2 | 174.2 | 40.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 20 | H | 28.4 | Very low | 35.6 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 122.8 | 172 | -102.9 | -73.5 | 0 | 0 | 0 | 110.9 | R18 | R18-H20 PolarHBondContact O-N 2.85Š|
| 21 | T | 32.1 | Very low | 34.7 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 154.2 | 165.2 | 49.8 | 0 | 0 | 0 | 0 | 111 | ||
| 22 | F | 31.3 | Very low | 33.7 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 151.8 | -170.1 | -79.6 | -104.1 | 0 | 0 | 0 | 116.2 | ||
| 23 | S | 31 | Very low | 33.1 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -148 | 141.8 | 143.8 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | E | 32.4 | Very low | 32.9 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -66.4 | 147 | -176.8 | -61.7 | 159.1 | 97.2 | 0 | 0 | 113.5 | ||||
| 25 | Q | 29.6 | Very low | 32.7 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -151.3 | 114.9 | 144.7 | -159.4 | 165.3 | 19 | 0 | 0 | 112.6 | ||||
| 26 | T | 33.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -81.3 | 124.5 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | L | 34.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -142 | 152.9 | 159.7 | -77.8 | -178 | 0 | 0 | 0 | 110.8 | ||||
| 28 | M | 31 | Very low | 32 | Very low | 172 Ų | 172 | 150 Ų | 150 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -117.3 | 143.7 | -175.5 | -55.8 | -147.1 | 77.1 | 0 | 0 | 112 | ||||
| 29 | S | 28.7 | Very low | 32.6 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 176.4 | 109.1 | 150 | -99.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 30 | T | 31.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | 71.1 | 106.9 | 77.1 | 61.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 31 | D | 30.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | 60.6 | 112.2 | 137.4 | -49.4 | -32.1 | 0 | 0 | 0 | 122 | ||||
| 32 | L | 35 | Very low | 32.6 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | -134.8 | 131.2 | 129.1 | -75.8 | -178.7 | 0 | 0 | 0 | 109.8 | |||||
| 33 | L | 37.4 | Very low | 33 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -114 | 141.6 | 175.4 | -67.8 | 169.6 | 0 | 0 | 0 | 110.1 | ||||
| 34 | A | 30.6 | Very low | 33.2 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -178 | 110.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 35 | N | 29.8 | Very low | 33.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | 36.9 | 125 | 139.7 | -56.8 | 5 | 0 | 0 | 0 | 123 | ||||
| 36 | S | 29.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | -155 | 148.3 | 125.1 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 37 | S | 34.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -99.3 | -174.4 | 175.5 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | D | 35.2 | Very low | 32.8 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | cis | -142.2 | 171 | 13.9 | -94.8 | -56.8 | 0 | 0 | 0 | 111.1 | ||||
| 39 | P | 49.1 | Very low | 32.7 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -103.4 | -161.2 | -163.7 | 42.6 | -38.3 | 0 | 0 | 0 | 115.3 | ||||
| 40 | D | 29.1 | Very low | 32.8 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 72 | 110.4 | 167.2 | -73.6 | -14.3 | 0 | 0 | 0 | 120.1 | ||||
| 41 | F | 29.6 | Very low | 32.6 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | -146.4 | 94.3 | 126.9 | -135.7 | -86.2 | 0 | 0 | 0 | 111.2 | |||||
| 42 | M | 32.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | trans | -93.9 | 131.7 | 173.4 | -90.6 | -76.1 | -71.5 | 0 | 0 | 110.5 | E44 | M42-E44 HydrophobicContact CE-CG 4.02Š| ||
| 43 | Y | 38.5 | Very low | 32.3 | Very low | 221 Ų | 221 | 152.6 Ų | 152.6 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -151.5 | 131.5 | 149.3 | -108 | -72.9 | 0 | 0 | 0 | 110.5 | ||||
| 44 | E | 34.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | trans | -91.6 | 163 | -178.1 | -62.7 | 179.7 | 107 | 0 | 0 | 112.7 | M42 | M42-E44 HydrophobicContact CE-CG 4.02Š| ||
| 45 | L | 33.3 | Very low | 32.2 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 43.5 | 121.5 | 142.4 | -69.4 | 164 | 0 | 0 | 0 | 119.4 | ||||
| 46 | D | 28.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | -156.9 | 154.6 | 97.7 | -138.8 | -8.5 | 0 | 0 | 0 | 113.7 | |||||
| 47 | R | 31.9 | Very low | 32.3 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 32.4 | 153.1 | 151.9 | -79.2 | 171.3 | -103.9 | -90.4 | -13.4 | 122.2 | ||||
| 48 | E | 28.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -153.7 | 152.8 | 23.2 | -158 | 78.5 | -104.5 | 0 | 0 | 110.6 | ||||
| 49 | M | 30.3 | Very low | 32 | Very low | 147 Ų | 147 | 156.7 Ų | 156.7 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -80.1 | 141.7 | 167.3 | -81.9 | -137.6 | -58 | 0 | 0 | 112 | Y51 | M49-Y51 HydrophobicContact CE-CD2 4.25Å; M49-Y51 HydrophobicContact CE-CE2 4.16Å; M49-Y51 HydrophobicContact SD-CD2 4.33Å; M49-Y51 HydrophobicContact SD-CE2 4.09Å | ||
| 50 | N | 29.4 | Very low | 31.2 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -137.6 | 105.7 | 158.5 | -90.7 | -82.3 | 0 | 0 | 0 | 111.3 | ||||
| 51 | Y | 27.8 | Very low | 31.2 | Very low | 206 Ų | 206 | 158.1 Ų | 158.1 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -78.4 | 135.8 | 159.1 | -90.8 | -103.2 | 0 | 0 | 0 | 108.9 | M49 | M49-Y51 HydrophobicContact CE-CD2 4.25Å; M49-Y51 HydrophobicContact CE-CE2 4.16Å; M49-Y51 HydrophobicContact SD-CD2 4.33Å; M49-Y51 HydrophobicContact SD-CE2 4.09Å | ||
| 52 | Q | 29.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | trans | -138.1 | 127.5 | 163.4 | -156.9 | 170.1 | 5.7 | 0 | 0 | 111.7 | ||||
| 53 | Q | 28.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -89.2 | 154.7 | 179.5 | -60.8 | 171 | -20.9 | 0 | 0 | 110.9 | ||||
| 54 | N | 25.7 | Very low | 30.8 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -154.2 | 150.4 | 135.6 | -122.9 | -10.4 | 0 | 0 | 0 | 111.6 | ||||
| 55 | P | 41.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | trans | -119.8 | -170.1 | -165.8 | 44.2 | -34.4 | 0 | 0 | 0 | 115 | ||||
| 56 | R | 32.8 | Very low | 30.7 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | 81.3 | 150.4 | 167.1 | -74.9 | -178.8 | 178.8 | -136 | 3.2 | 116.6 | ||||
| 57 | D | 29 | Very low | 30.9 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 60% | 0.599 | 75% | 0.75 | S | S | * | * | cis | -136.5 | 137.4 | 14.6 | -101.4 | -42.7 | 0 | 0 | 0 | 114.9 | ||||
| 58 | N | 32.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 150 Ų | 150 | 58% | 0.583 | 75% | 0.749 | S | S | * | * | trans | 65.8 | 118.8 | 132.7 | -62.7 | -27.1 | 0 | 0 | 0 | 126.3 | ||||
| 59 | F | 28.8 | Very low | 31.4 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 60.8 | 112.3 | 131.1 | -65.5 | -59 | 0 | 0 | 0 | 121.7 | ||||
| 60 | L | 32.4 | Very low | 31.5 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | -178.2 | 136.6 | 86.4 | -93.7 | -178.9 | 0 | 0 | 0 | 113.4 | |||||
| 61 | S | 30.1 | Very low | 31.9 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 73.1 | 147.2 | 139.9 | -164.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 62 | L | 30.1 | Very low | 32.3 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | -177.3 | 145.4 | -24.2 | -169.4 | 33.7 | 0 | 0 | 0 | 107.1 | ||||
| 63 | E | 31.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | trans | 62.4 | 150.2 | 174.6 | -95.8 | 57 | 132.2 | 0 | 0 | 119.2 | ||||
| 64 | D | 31.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -157.5 | 173.7 | -12.5 | -151.2 | -8.7 | 0 | 0 | 0 | 112.4 | ||||
| 65 | C | 30.9 | Very low | 33.5 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | trans | 44 | 117.4 | 161.7 | -70.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 66 | K | 34.9 | Very low | 33.3 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | 57.5 | 112.1 | 66.1 | -63.5 | 179.3 | 179.1 | 173.9 | 0 | 114.7 | |||||
| 67 | D | 32.5 | Very low | 33.5 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | -151.6 | 167.1 | 106.6 | -114.4 | -22.5 | 0 | 0 | 0 | 110.8 | |||||
| 68 | I | 36.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -135.1 | 147.1 | -159.8 | -73.9 | 176.2 | 0 | 0 | 0 | 111.7 | ||||
| 69 | E | 34.3 | Very low | 33.9 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 54.4 | 97.3 | 163.5 | -72.5 | 153.6 | -148.8 | 0 | 0 | 118.9 | ||||
| 70 | N | 32 | Very low | 34.1 | Very low | 173 Ų | 173 | 147 Ų | 147 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | -132.2 | 103.5 | 127.8 | -150.2 | -104.4 | 0 | 0 | 0 | 109.8 | |||||
| 71 | L | 38.1 | Very low | 34.2 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -93.2 | 167.7 | 178.6 | -172.8 | 61.6 | 0 | 0 | 0 | 109.8 | ||||
| 72 | E | 36 | Very low | 34.6 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 59.3 | 155.2 | -155 | 166 | -116.6 | 0 | 0 | 117.8 | ||||
| 73 | S | 39.3 | Very low | 35 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | S | Bend | -171.5 | 89 | 125.6 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | |||
| 74 | F | 32.2 | Very low | 35.3 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -169.8 | 34.3 | 150.2 | -107.2 | -61.8 | 0 | 0 | 0 | 112.2 | D76 | F74-D76 PolarHBondContact O-N 2.6Š| ||
| 75 | T | 37.9 | Very low | 35.6 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 37.3 | -168.4 | -22.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 76 | D | 35.9 | Very low | 35.9 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.8 | 10.5 | -166.4 | -132.4 | 0.4 | 0 | 0 | 0 | 114.2 | F74 | F74-D76 PolarHBondContact O-N 2.6Š|
| 77 | V | 37.7 | Very low | 35.8 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -137.5 | 42.7 | 176.6 | -160 | 0 | 0 | 0 | 0 | 110.9 | ||
| 78 | L | 37.2 | Very low | 36 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -138.5 | 46 | -176.9 | -140.6 | 159.8 | 0 | 0 | 0 | 111.7 | ||||
| 79 | D | 33.7 | Very low | 36.1 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -144.1 | 61.1 | 172.3 | -162.7 | 17.6 | 0 | 0 | 0 | 110.9 | ||
| 80 | N | 33.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -167.2 | 166.7 | 162.6 | -115.7 | -83.6 | 0 | 0 | 0 | 111.9 | ||
| 81 | E | 33.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 62% | 0.621 | 75% | 0.749 | S | S | * | * | trans | 61.5 | 39.6 | 170.7 | -65.9 | -60.3 | 155.7 | 0 | 0 | 118.2 | A83 | E81-A83 PolarHBondContact O-N 3.05Š| ||
| 82 | G | 37.5 | Very low | 36.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 55 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 83 | A | 38.6 | Very low | 37.1 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.3 | 0.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | E81 | E81-A83 PolarHBondContact O-N 3.05Š|
| 84 | L | 38.9 | Very low | 37 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -100.8 | 10 | -161.5 | -92 | 153.1 | 0 | 0 | 0 | 117.7 | ||
| 85 | T | 36.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -109.7 | -8.4 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 115 | N87 | T85-N87 PolarHBondContact O-N 2.81Š|
| 86 | S | 38.2 | Very low | 37.8 | Very low | 87 Ų | 87 | 133 Ų | 133 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.3 | -169.9 | -171.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 87 | N | 32.6 | Very low | 38 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 54% | 0.535 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -23.7 | -165.7 | -163.8 | -104.7 | 0 | 0 | 0 | 114.3 | T85 Q90 W91 | T85-N87 PolarHBondContact O-N 2.81Å; N87-Q90 WeakPolarHBondContact O-CB 3.14Å; N87-Q90 PolarHBondContact O-N 2.94Å; N87-W91 VanDerWaalsContact O-CD1 3.26Å; N87-W91 PolarHBondContact OD1-NE1 3.43Å |
| 88 | W | 36 | Very low | 38.2 | Very low | 225 Ų | 225 | 127.9 Ų | 127.9 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -76.3 | -36.8 | -169.5 | -126.9 | -62.5 | 0 | 0 | 0 | 113.7 | Q90 | W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 3.2Å |
| 89 | E | 39.2 | Very low | 38.7 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -14.2 | 177.3 | -59.4 | 179.6 | 140.9 | 0 | 0 | 112.7 | W91 T93 | E89-W91 VanDerWaalsContact C-N 3.32Å; E89-W91 PolarHBondContact O-N 2.88Å; E89-T93 PolarHBondContact O-OG1 3.25Å |
| 90 | Q | 38.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.5 | -24.6 | -178 | -161.4 | 171.3 | 12.4 | 0 | 0 | 112.9 | N87 W88 Y94 | N87-Q90 WeakPolarHBondContact O-CB 3.14Å; N87-Q90 PolarHBondContact O-N 2.94Å; W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 3.2Å; Q90-Y94 PolarHBondContact O-N 3.36Å |
| 91 | W | 39.5 | Very low | 39.3 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.1 | -43.5 | -178.8 | -73.3 | 91.3 | 0 | 0 | 0 | 113.3 | N87 E89 T93 Y94 C95 | N87-W91 VanDerWaalsContact O-CD1 3.26Å; N87-W91 PolarHBondContact OD1-NE1 3.43Å; E89-W91 VanDerWaalsContact C-N 3.32Å; E89-W91 PolarHBondContact O-N 2.88Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.45Å; W91-Y94 PolarHBondContact O-N 3.47Å; W91-C95 PolarHBondContact O-N 2.86Å; W91-C95 PolarHBondContact O-SG 2.73Å; W91-C95 VanDerWaalsContact O-SG 3.39Å |
| 92 | D | 42.6 | Very low | 39.6 | Very low | 126 Ų | 126 | 121 Ų | 121 | 67% | 0.674 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -38.5 | 177.7 | -69.6 | -35.5 | 0 | 0 | 0 | 111 | Y94 C95 | D92-Y94 VanDerWaalsContact C-N 3.34Å; D92-Y94 PolarHBondContact O-N 3.41Å; D92-C95 WeakPolarHBondContact O-CB 3.43Å; D92-C95 PolarHBondContact O-N 2.99Å |
| 93 | T | 40.9 | Very low | 39.7 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.9 | -39.9 | 176 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | E89 W91 C95 E96 | E89-T93 PolarHBondContact O-OG1 3.25Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.45Å; T93-C95 VanDerWaalsContact C-N 3.31Å; T93-C95 PolarHBondContact O-N 2.68Å; T93-E96 PolarHBondContact O-N 2.78Å |
| 94 | Y | 36.4 | Very low | 39.6 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.2 | -28.2 | 179.4 | -166.6 | -105 | 0 | 0 | 0 | 112.9 | Q90 W91 D92 E96 D97 L98 | Q90-Y94 PolarHBondContact O-N 3.36Å; W91-Y94 PolarHBondContact O-N 3.47Å; D92-Y94 VanDerWaalsContact C-N 3.34Å; D92-Y94 PolarHBondContact O-N 3.41Å; Y94-E96 PolarHBondContact O-N 2.92Å; Y94-D97 PolarHBondContact O-N 3.45Å; Y94-L98 PolarHBondContact O-N 2.93Å |
| 95 | C | 44 | Very low | 39.5 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.2 | -32.1 | 177.9 | -68 | 0 | 0 | 0 | 0 | 112.9 | W91 D92 T93 | W91-C95 PolarHBondContact O-N 2.86Å; W91-C95 PolarHBondContact O-SG 2.73Å; W91-C95 VanDerWaalsContact O-SG 3.39Å; D92-C95 WeakPolarHBondContact O-CB 3.43Å; D92-C95 PolarHBondContact O-N 2.99Å; T93-C95 VanDerWaalsContact C-N 3.31Å; T93-C95 PolarHBondContact O-N 2.68Å |
| 96 | E | 43.3 | Very low | 39.5 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.2 | -40.9 | 173.9 | -65.9 | -159.2 | 157.8 | 0 | 0 | 112.5 | T93 Y94 L98 T99 | T93-E96 PolarHBondContact O-N 2.78Å; Y94-E96 PolarHBondContact O-N 2.92Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; E96-T99 PolarHBondContact O-N 3.4Å; E96-T99 PolarHBondContact O-OG1 2.87Å |
| 97 | D | 39.9 | Very low | 39.6 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 34% | 0.342 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.2 | -29 | -174.4 | -103.5 | 38 | 0 | 0 | 0 | 113.7 | Y94 T99 K100 Y101 | Y94-D97 PolarHBondContact O-N 3.45Å; D97-T99 PolarHBondContact O-N 3.29Å; D97-K100 WeakPolarHBondContact O-CA 3.11Å; D97-K100 WeakPolarHBondContact O-CB 3.36Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 VanDerWaalsContact OD1-CD 3.29Å; D97-K100 WeakPolarHBondContact OD1-CD 3.4Å; D97-K100 VanDerWaalsContact OD1-CE 3.3Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 2.98Å; D97-K100 PolarHBondContact OD1-NZ 3.49Å; D97-Y101 PolarHBondContact O-N 3.07Å |
| 98 | L | 41.8 | Very low | 39.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 58% | 0.576 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59 | -33.2 | 176.8 | -171.3 | 61 | 0 | 0 | 0 | 112.3 | Y94 E96 K100 T102 | Y94-L98 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.01Å; L98-T102 PolarHBondContact O-N 3.29Å; L98-T102 PolarHBondContact O-OG1 3.48Å |
| 99 | T | 47.2 | Very low | 40.3 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.1 | -19.9 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | E96 D97 | E96-T99 PolarHBondContact O-N 3.4Å; E96-T99 PolarHBondContact O-OG1 2.87Å; D97-T99 PolarHBondContact O-N 3.29Å |
| 100 | K | 42.2 | Very low | 40.5 | Very low | 106 Ų | 106 | 128 Ų | 128 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -78.5 | -38.1 | -179.5 | -55.9 | 174.8 | -160.8 | 162.4 | 0 | 110.6 | D97 L98 | D97-K100 WeakPolarHBondContact O-CA 3.11Å; D97-K100 WeakPolarHBondContact O-CB 3.36Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 VanDerWaalsContact OD1-CD 3.29Å; D97-K100 WeakPolarHBondContact OD1-CD 3.4Å; D97-K100 VanDerWaalsContact OD1-CE 3.3Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 2.98Å; D97-K100 PolarHBondContact OD1-NZ 3.49Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.01Å |
| 101 | Y | 37.5 | Very low | 40.2 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 71% | 0.71 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.4 | -21.1 | 173.7 | -73.6 | -82.4 | 0 | 0 | 0 | 114.5 | D97 K103 L104 | D97-Y101 PolarHBondContact O-N 3.07Å; Y101-K103 PolarHBondContact O-N 3.1Å; Y101-L104 PolarHBondContact O-N 3.45Å |
| 102 | T | 39.8 | Very low | 39.9 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 45% | 0.454 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -63.3 | -11.8 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | L98 L104 T105 | L98-T102 PolarHBondContact O-N 3.29Å; L98-T102 PolarHBondContact O-OG1 3.48Å; T102-L104 PolarHBondContact O-N 2.93Å; T102-L104 VanDerWaalsContact O-N 3.09Å; T102-T105 PolarHBondContact O-N 3.36Å; T102-T105 VanDerWaalsContact O-N 3.13Å; T102-T105 PolarHBondContact O-OG1 3.35Å |
| 103 | K | 39.7 | Very low | 39.5 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -68.9 | -1.4 | 178.3 | -68.1 | -171.9 | 176.3 | -178.5 | 0 | 115.8 | Y101 | Y101-K103 PolarHBondContact O-N 3.1Š|
| 104 | L | 36.6 | Very low | 39.5 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -110.4 | 2.4 | 173.2 | -83.8 | 152.1 | 0 | 0 | 0 | 113.4 | Y101 T102 | Y101-L104 PolarHBondContact O-N 3.45Å; T102-L104 PolarHBondContact O-N 2.93Å; T102-L104 VanDerWaalsContact O-N 3.09Å |
| 105 | T | 36.7 | Very low | 39.7 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -121.8 | 22.4 | 179.8 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | T102 C107 | T102-T105 PolarHBondContact O-N 3.36Å; T102-T105 VanDerWaalsContact O-N 3.13Å; T102-T105 PolarHBondContact O-OG1 3.35Å; T105-C107 PolarHBondContact O-N 3.02Å | ||
| 106 | S | 36.6 | Very low | 39.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | -73.4 | 61.7 | 158.7 | 60.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 107 | C | 40.4 | Very low | 39.3 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 75% | 0.75 | 67% | 0.665 | S | S | * | * | trans | -101.7 | 115.2 | 160.2 | -90.4 | 0 | 0 | 0 | 0 | 107.4 | T105 I109 | T105-C107 PolarHBondContact O-N 3.02Å; C107-I109 PolarHBondContact O-N 3Å; C107-I109 VanDerWaalsContact O-N 3.16Å | ||
| 108 | D | 36 | Very low | 39.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 119.1 | 175.8 | -70.7 | -73.1 | 0 | 0 | 0 | 110.8 | W110 G111 | D108-W110 PolarHBondContact O-N 2.78Å; D108-W110 VanDerWaalsContact O-N 3.07Å; D108-G111 PolarHBondContact O-N 3.25Å | ||
| 109 | I | 47.9 | Very low | 40.2 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -64.8 | -10.2 | 173.5 | -62.9 | 173.9 | 0 | 0 | 0 | 110.8 | C107 | C107-I109 PolarHBondContact O-N 3Å; C107-I109 VanDerWaalsContact O-N 3.16Å |
| 110 | W | 43.3 | Very low | 39.9 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -117.6 | 75.6 | 165.6 | -59.5 | 99 | 0 | 0 | 0 | 109.6 | D108 T112 | D108-W110 PolarHBondContact O-N 2.78Å; D108-W110 VanDerWaalsContact O-N 3.07Å; W110-T112 PolarHBondContact O-N 3.32Å |
| 111 | G | 31.1 | Very low | 39.9 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -63.8 | 99.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D108 K113 | D108-G111 PolarHBondContact O-N 3.25Å; G111-K113 VanDerWaalsContact C-N 3.27Å; G111-K113 PolarHBondContact O-N 2.72Å | ||
| 112 | T | 34.8 | Very low | 40.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | trans | -83.2 | 76 | 153.8 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | W110 E114 | W110-T112 PolarHBondContact O-N 3.32Å; T112-E114 VanDerWaalsContact C-N 3.25Å; T112-E114 WeakPolarHBondContact CB-OE1 3.45Å; T112-E114 PolarHBondContact O-N 3.3Å | ||
| 113 | K | 33.1 | Very low | 40.4 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -78.4 | 82.2 | 170.8 | -166 | -171.3 | -176 | -167.5 | 0 | 108.9 | G111 V115 | G111-K113 VanDerWaalsContact C-N 3.27Å; G111-K113 PolarHBondContact O-N 2.72Å; K113-V115 HydrophobicContact CD-CG2 3.86Å; K113-V115 HydrophobicContact CG-CG2 4Å; K113-V115 PolarHBondContact O-N 3.04Å; K113-V115 VanDerWaalsContact O-N 3.09Å | ||
| 114 | E | 41.2 | Very low | 40.7 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -52.6 | 115.2 | 152.4 | -21.2 | -66.6 | 141 | 0 | 0 | 106.3 | T112 | T112-E114 VanDerWaalsContact C-N 3.25Å; T112-E114 WeakPolarHBondContact CB-OE1 3.45Å; T112-E114 PolarHBondContact O-N 3.3Å | ||
| 115 | V | 41.1 | Very low | 40.8 | Very low | 81 Ų | 81 | 134 Ų | 134 | 49% | 0.491 | 74% | 0.735 | S | S | . | * | trans | -93.8 | 128.7 | 168.1 | 178.5 | 0 | 0 | 0 | 0 | 106 | K113 Y117 | K113-V115 HydrophobicContact CD-CG2 3.86Å; K113-V115 HydrophobicContact CG-CG2 4Å; K113-V115 PolarHBondContact O-N 3.04Å; K113-V115 VanDerWaalsContact O-N 3.09Å; V115-Y117 HydrophobicContact CB-CD2 4.34Å; V115-Y117 PolarHBondContact O-N 3.39Å | ||
| 116 | D | 40.5 | Very low | 41.2 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -56.4 | 96.4 | 175.4 | -74 | -61.7 | 0 | 0 | 0 | 110.8 | L118 | D116-L118 PolarHBondContact O-N 2.93Š| ||
| 117 | Y | 38.3 | Very low | 41.6 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | trans | -83.3 | 47.7 | -174.1 | -116.3 | -86.1 | 0 | 0 | 0 | 112.5 | V115 D121 | V115-Y117 HydrophobicContact CB-CD2 4.34Å; V115-Y117 PolarHBondContact O-N 3.39Å; Y117-D121 HydrophobicContact CE1-CB 4.22Å; Y117-D121 PolarHBondContact OH-OD2 2.95Å | ||
| 118 | L | 49.5 | Very low | 42 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -134.5 | 76.7 | 175.7 | -72.5 | 177.1 | 0 | 0 | 0 | 110.6 | D116 | D116-L118 PolarHBondContact O-N 2.93Š|
| 119 | G | 50.1 | Low | 42.5 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 142.9 | 8.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 120 | L | 41.6 | Very low | 42.9 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -134.3 | 3 | -173.3 | -77.5 | 177.8 | 0 | 0 | 0 | 118.3 | D122 | L120-D122 PolarHBondContact O-N 3.1Š| ||
| 121 | D | 41.1 | Very low | 43.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | -91.7 | 5.7 | -168.5 | -142 | 40 | 0 | 0 | 0 | 115.5 | Y117 F123 | Y117-D121 HydrophobicContact CE1-CB 4.22Å; Y117-D121 PolarHBondContact OH-OD2 2.95Å; D121-F123 PolarHBondContact O-N 3.42Å | ||
| 122 | D | 47.4 | Very low | 44.9 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90 | 7.2 | -167.1 | -147.9 | 27.2 | 0 | 0 | 0 | 114.7 | L120 | L120-D122 PolarHBondContact O-N 3.1Š|
| 123 | F | 42.1 | Very low | 45.9 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -145.3 | 56.2 | -175.1 | -80.5 | -78.9 | 0 | 0 | 0 | 115.1 | D121 | D121-F123 PolarHBondContact O-N 3.42Š|
| 124 | S | 45.8 | Very low | 46.9 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | 177.6 | 71.2 | 143.3 | 41.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 125 | S | 38.2 | Very low | 47.7 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | -115 | 101 | 164.3 | -87 | 0 | 0 | 0 | 0 | 111.9 | Y127 | S125-Y127 PolarHBondContact O-N 3.29Š| ||
| 126 | P | 45.8 | Very low | 48.7 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 13.4 | -176.9 | -23.3 | 35.6 | 0 | 0 | 0 | 117.3 | ||
| 127 | Y | 44.8 | Very low | 50.1 | Low | 211 Ų | 211 | 128 Ų | 128 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | 40.9 | -172 | -67.4 | -72.1 | 0 | 0 | 0 | 113.5 | S125 | S125-Y127 PolarHBondContact O-N 3.29Š|
| 128 | Q | 49 | Very low | 51.8 | Low | 168 Ų | 168 | 123.8 Ų | 123.8 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -107.4 | 43.8 | 168.7 | -73.4 | -174.5 | -27.3 | 0 | 0 | 111.9 | ||||
| 129 | D | 45.8 | Very low | 52.4 | Low | 98 Ų | 98 | 122 Ų | 122 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | trans | -101.6 | 93.5 | 177.2 | -156.4 | -12.2 | 0 | 0 | 0 | 109.6 | E131 V132 | D129-E131 PolarHBondContact O-N 3.13Å; D129-E131 VanDerWaalsContact O-N 3.09Å; D129-V132 HydrophobicContact CB-CG2 4.05Å; D129-V132 WeakPolarHBondContact O-CB 3.33Å; D129-V132 PolarHBondContact O-N 3.03Å | ||
| 130 | E | 57.1 | Low | 53.1 | Low | 147 Ų | 147 | 122.2 Ų | 122.2 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -52.8 | -28.8 | -179.9 | -71 | -79.6 | 130.2 | 0 | 0 | 112.4 | V132 I133 S134 | E130-V132 PolarHBondContact O-N 3.03Å; E130-I133 PolarHBondContact O-N 3.1Å; E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.79Å; E130-S134 VanDerWaalsContact O-N 3.16Å; E130-S134 PolarHBondContact O-OG 3Å |
| 131 | E | 58.6 | Low | 54.3 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.1 | -17.1 | 174.5 | -81.6 | -146.9 | -150.7 | 0 | 0 | 114.1 | D129 S134 K135 | D129-E131 PolarHBondContact O-N 3.13Å; D129-E131 VanDerWaalsContact O-N 3.09Å; E131-S134 WeakPolarHBondContact CA-OG 3.42Å; E131-S134 PolarHBondContact O-OG 2.85Å; E131-K135 WeakPolarHBondContact O-CD 3.25Å; E131-K135 WeakPolarHBondContact O-CE 3.45Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-NZ 3.25Å; E131-K135 IonicContact OE2-NZ 2.69Å; E131-K135 PolarHBondContact OE2-NZ 3.47Å |
| 132 | V | 56.4 | Low | 55.7 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -92.8 | -41.7 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | D129 E130 S134 K135 T136 | D129-V132 HydrophobicContact CB-CG2 4.05Å; D129-V132 WeakPolarHBondContact O-CB 3.33Å; D129-V132 PolarHBondContact O-N 3.03Å; E130-V132 PolarHBondContact O-N 3.03Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 3.27Å; V132-K135 PolarHBondContact O-N 3.41Å; V132-T136 PolarHBondContact O-N 2.79Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.44Å |
| 133 | I | 55.6 | Low | 56.5 | Low | 99 Ų | 99 | 116 Ų | 116 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.8 | -43.3 | 179.4 | -54.8 | 175.6 | 0 | 0 | 0 | 110.3 | E130 K135 T136 | E130-I133 PolarHBondContact O-N 3.1Å; I133-K135 PolarHBondContact O-N 2.93Å; I133-T136 PolarHBondContact O-N 3.01Å; I133-T136 PolarHBondContact O-OG1 2.87Å |
| 134 | S | 55.1 | Low | 57.4 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -8.6 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | E130 E131 V132 | E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.79Å; E130-S134 VanDerWaalsContact O-N 3.16Å; E130-S134 PolarHBondContact O-OG 3Å; E131-S134 WeakPolarHBondContact CA-OG 3.42Å; E131-S134 PolarHBondContact O-OG 2.85Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 3.27Å |
| 135 | K | 57.9 | Low | 57.7 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -12.3 | 177.8 | -62.8 | 178.3 | -173.3 | 107.8 | 0 | 113.2 | E131 V132 I133 | E131-K135 WeakPolarHBondContact O-CD 3.25Å; E131-K135 WeakPolarHBondContact O-CE 3.45Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-NZ 3.25Å; E131-K135 IonicContact OE2-NZ 2.69Å; E131-K135 PolarHBondContact OE2-NZ 3.47Å; V132-K135 PolarHBondContact O-N 3.41Å; I133-K135 PolarHBondContact O-N 2.93Å |
| 136 | T | 61.4 | Low | 58.6 | Low | 83 Ų | 83 | 113.3 Ų | 113.3 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -82.2 | 126.5 | 171.4 | 35.3 | 0 | 0 | 0 | 0 | 111.7 | V132 I133 T138 | V132-T136 PolarHBondContact O-N 2.79Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.44Å; I133-T136 PolarHBondContact O-N 3.01Å; I133-T136 PolarHBondContact O-OG1 2.87Å; T136-T138 PolarHBondContact O-N 3.33Å |
| 137 | P | 70.7 | Confident | 58.8 | Low | 77 Ų | 77 | 113 Ų | 113 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 133.9 | 178.7 | 27.4 | -34.3 | 0 | 0 | 0 | 110.8 | L142 | P137-L142 HydrophobicContact CG-CD2 4.34Š|
| 138 | T | 73.2 | Confident | 59.1 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 156.6 | -179.5 | 57.7 | 0 | 0 | 0 | 0 | 112 | T136 A140 Q141 L142 | T136-T138 PolarHBondContact O-N 3.33Å; T138-A140 PolarHBondContact O-N 3.07Å; T138-A140 VanDerWaalsContact O-N 3.07Å; T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.33Å; T138-L142 PolarHBondContact O-N 3.27Å |
| 139 | L | 62.8 | Low | 58.9 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -26.4 | 176.4 | -167.2 | 69.1 | 0 | 0 | 0 | 112.7 | N143 | L139-N143 PolarHBondContact O-N 3.19Å; L139-N143 PolarHBondContact O-ND2 3.27Å |
| 140 | A | 65.3 | Low | 59 | Low | 74 Ų | 74 | 109.8 Ų | 109.8 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T138 N143 S144 | T138-A140 PolarHBondContact O-N 3.07Å; T138-A140 VanDerWaalsContact O-N 3.07Å; A140-N143 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-N 3.46Å |
| 141 | Q | 67 | Low | 58.4 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -63.5 | -46.1 | 177.2 | -71.2 | 165 | -81.5 | 0 | 0 | 111 | T138 N143 S144 | T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.33Å; Q141-N143 PolarHBondContact O-N 2.88Å; Q141-N143 VanDerWaalsContact O-N 3.15Å; Q141-S144 WeakPolarHBondContact O-CB 3.46Å; Q141-S144 PolarHBondContact O-N 3.11Å; Q141-S144 PolarHBondContact O-OG 3.1Å |
| 142 | L | 70.1 | Confident | 57.3 | Low | 96 Ų | 96 | 109 Ų | 109 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -64.5 | -16.3 | 178 | -64.3 | 173.6 | 0 | 0 | 0 | 114.2 | P137 T138 | P137-L142 HydrophobicContact CG-CD2 4.34Å; T138-L142 PolarHBondContact O-N 3.27Å |
| 143 | N | 63.2 | Low | 56.5 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -95.3 | -5.6 | 172 | -77.8 | -73.2 | 0 | 0 | 0 | 113.2 | L139 A140 Q141 | L139-N143 PolarHBondContact O-N 3.19Å; L139-N143 PolarHBondContact O-ND2 3.27Å; A140-N143 PolarHBondContact O-N 2.91Å; Q141-N143 PolarHBondContact O-N 2.88Å; Q141-N143 VanDerWaalsContact O-N 3.15Å |
| 144 | S | 61.2 | Low | 56.1 | Low | 64 Ų | 64 | 112.7 Ų | 112.7 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -19.3 | -177.9 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | A140 Q141 | A140-S144 PolarHBondContact O-N 3.46Å; Q141-S144 WeakPolarHBondContact O-CB 3.46Å; Q141-S144 PolarHBondContact O-N 3.11Å; Q141-S144 PolarHBondContact O-OG 3.1Å |
| 145 | E | 53 | Low | 55 | Low | 132 Ų | 132 | 119 Ų | 119 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -76.1 | -29.9 | -176.8 | -63.6 | 172.9 | 129.5 | 0 | 0 | 112.2 | S147 | E145-S147 PolarHBondContact O-N 3.48Š|
| 146 | D | 56.3 | Low | 54.1 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -75 | 8.7 | -179 | -145.1 | 29.1 | 0 | 0 | 0 | 113.4 | ||
| 147 | S | 51 | Low | 53.2 | Low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -124.6 | 6.7 | -176.5 | -65.6 | 0 | 0 | 0 | 0 | 114.5 | E145 | E145-S147 PolarHBondContact O-N 3.48Š|
| 148 | Q | 50.4 | Low | 51.5 | Low | 151 Ų | 151 | 126.1 Ų | 126.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -88.6 | 124.5 | 179.5 | -66.6 | -175.6 | 0.1 | 0 | 0 | 111.7 | V150 | Q148-V150 PolarHBondContact O-N 3.43Š| ||
| 149 | S | 44.2 | Very low | 49.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -71.1 | 123.1 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 111 | S151 | S149-S151 PolarHBondContact O-N 2.86Š| ||
| 150 | V | 48.6 | Very low | 48.4 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 90% | 0.903 | 70% | 0.701 | S | S | * | * | trans | -67.7 | 104.1 | -178.8 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | Q148 | Q148-V150 PolarHBondContact O-N 3.43Š| ||
| 151 | S | 44.8 | Very low | 46.8 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | -152.5 | 151.3 | 168.5 | -71.2 | 0 | 0 | 0 | 0 | 108.7 | S149 | S149-S151 PolarHBondContact O-N 2.86Š| ||
| 152 | D | 36.1 | Very low | 45 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | 58.1 | 92.2 | -176.7 | -60.2 | -24.2 | 0 | 0 | 0 | 115.3 | ||||
| 153 | S | 39 | Very low | 43.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | 96.9 | 105.2 | 47.1 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 154 | L | 47.1 | Very low | 41.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | 35.1 | 98.6 | 143.6 | -57.5 | 175.8 | 0 | 0 | 0 | 118.7 | ||||
| 155 | Y | 30.9 | Very low | 40.3 | Very low | 227 Ų | 227 | 144.2 Ų | 144.2 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -147.6 | 124.7 | 140.1 | -128.1 | -84 | 0 | 0 | 0 | 111.8 | ||||
| 156 | Y | 40.3 | Very low | 39.1 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -115.8 | 140.3 | 173.8 | -129.9 | -87.8 | 0 | 0 | 0 | 108.2 | ||||
| 157 | P | 42.9 | Very low | 38.5 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -131.2 | 148.2 | 146.8 | 26.7 | -9.8 | 0 | 0 | 0 | 112.7 | ||||
| 158 | D | 33.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 172.3 | -161.6 | -56.2 | -78.5 | 0 | 0 | 0 | 117.2 | ||||
| 159 | S | 34.6 | Very low | 37.2 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 94.4 | 118.7 | 133.3 | -76.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 160 | L | 35.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | trans | 60.3 | 125.8 | 131 | -51.2 | 168.8 | 0 | 0 | 0 | 117.5 | ||||
| 161 | F | 32.7 | Very low | 35.3 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | cis | -155.4 | 175.2 | 47.6 | -102.1 | -77.6 | 0 | 0 | 0 | 113.4 | ||||
| 162 | S | 29.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -101.9 | -179.3 | 176.2 | -173 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | V | 30 | Very low | 35.2 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 96.9 | 124.3 | 164.5 | -171.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 164 | K | 33.6 | Very low | 34.8 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -47.8 | 147.8 | 170.8 | -53.6 | 170.5 | 175.6 | -179.9 | 0 | 114.1 | ||||
| 165 | Q | 31.6 | Very low | 34.4 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | -179.4 | 147.1 | 102.9 | -97.6 | 174.6 | 15.7 | 0 | 0 | 113.7 | |||||
| 166 | N | 27.7 | Very low | 34.5 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -93.4 | 160.8 | 154.7 | -122.1 | -23 | 0 | 0 | 0 | 106.9 | ||||
| 167 | P | 44.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -140.2 | -180 | 32.7 | 40.1 | -19.9 | 0 | 0 | 0 | 118.1 | ||||
| 168 | L | 27.8 | Very low | 33.8 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -40.3 | 172.2 | 152.9 | -84.5 | 101.6 | 0 | 0 | 0 | 115.6 | ||||
| 169 | P | 44.6 | Very low | 33.7 | Very low | 100 Ų | 100 | 142 Ų | 142 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | -142 | -175.9 | 18.3 | 33.4 | -10.2 | 0 | 0 | 0 | 118.1 | ||||
| 170 | T | 25.5 | Very low | 33.8 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 70.8 | 145.5 | 153.6 | 23.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 171 | S | 29.3 | Very low | 33.6 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | -156.2 | 154 | 16.6 | 47.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 172 | F | 33.4 | Very low | 33.7 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 164.6 | 154.1 | -77.9 | -74.8 | 0 | 0 | 0 | 110.4 | ||||
| 173 | P | 44.7 | Very low | 34.1 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | cis | -149.5 | 171.4 | 36.4 | 42.1 | -21.4 | 0 | 0 | 0 | 119 | ||||
| 174 | G | 30.4 | Very low | 34.8 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -166.7 | 75.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 175 | K | 38.4 | Very low | 34.9 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 0.7 | 112.7 | 157.3 | -62.6 | 163.7 | -174.5 | 171.5 | 0 | 117.3 | ||||
| 176 | K | 32.5 | Very low | 34.8 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | 83.6 | 154.3 | 85.1 | -78.7 | -172.8 | 175 | -170.4 | 0 | 116.2 | |||||
| 177 | I | 38.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 88.8 | 96.9 | 159.4 | -38.8 | -172.9 | 0 | 0 | 0 | 118.9 | ||||
| 178 | T | 31.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | 47.4 | 119.5 | 133.1 | -47.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 179 | S | 32.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | -170.8 | 167.5 | 105.4 | -156.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 180 | R | 35.9 | Very low | 34 | Very low | 236 Ų | 236 | 137.5 Ų | 137.5 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -84 | 148.4 | -173.7 | -91.2 | 171.3 | 147.2 | -174.9 | -7.1 | 115 | ||||
| 181 | A | 32 | Very low | 34.3 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 75.3 | 130.3 | 131 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 182 | A | 35 | Very low | 34.2 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 72.8 | 149.2 | 139 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 183 | A | 38.2 | Very low | 34.2 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -95.4 | 158.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 184 | P | 43.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -97.7 | 168 | 164.1 | 37.9 | -32.3 | 0 | 0 | 0 | 113 | ||||
| 185 | V | 36.2 | Very low | 33.3 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -126.7 | 155.4 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | C | 28.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | 70.8 | 145.4 | 175.8 | -78 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 187 | S | 29.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | -170.7 | 138.1 | 55.9 | -170.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 188 | S | 33.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 42 | 132.6 | 137.1 | -40.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 189 | K | 34.7 | Very low | 32.6 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | -167.9 | 170 | 127.3 | -104.2 | 157.6 | -172.9 | 175.6 | 0 | 112.5 | |||||
| 190 | T | 31.2 | Very low | 32.3 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -142.7 | 175.3 | -158.2 | 37.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 191 | L | 31.3 | Very low | 32 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 92.6 | 139 | 174.2 | -56.8 | 170.6 | 0 | 0 | 0 | 115 | ||||
| 192 | Q | 27.7 | Very low | 32 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | cis | -135.6 | 175 | 5.9 | -88 | -149.6 | -18.9 | 0 | 0 | 114.5 | ||||
| 193 | A | 31.9 | Very low | 31.9 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -49.7 | 179.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 194 | E | 25.9 | Very low | 31.4 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | cis | -150.3 | 161.6 | 11.6 | -155.8 | 175.4 | 154.7 | 0 | 0 | 110.2 | ||||
| 195 | V | 31.7 | Very low | 30.8 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 121.7 | -169.1 | -176.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 196 | P | 42.8 | Very low | 30.7 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -102.5 | -176.4 | 171.2 | 39.7 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 197 | L | 28.3 | Very low | 31.1 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -124.8 | 165.1 | 174.1 | -73 | 77.3 | 0 | 0 | 0 | 111.3 | ||||
| 198 | S | 28 | Very low | 31.1 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -163.2 | 141.8 | 135.7 | -78.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 199 | D | 25.7 | Very low | 30.9 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -77.6 | 166.6 | 174.2 | -52.5 | -97.1 | 0 | 0 | 0 | 113.2 | ||||
| 200 | C | 26 | Very low | 30.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 156.6 | 141.5 | 112.9 | -166.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 201 | V | 30.6 | Very low | 30.6 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | -70.7 | 142.5 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | Q | 31 | Very low | 30.5 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -157.4 | 176.9 | 142.2 | -116 | 148.8 | 108.4 | 0 | 0 | 115 | ||||
| 203 | K | 33.1 | Very low | 30.8 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -120.4 | 175.9 | -156 | -67 | -174.5 | 175 | -176.6 | 0 | 114.4 | ||||
| 204 | A | 28.8 | Very low | 30.6 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 87 | 152.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 205 | S | 29.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | cis | -144.7 | 165.7 | 9.4 | -47.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 206 | K | 34.2 | Very low | 31 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -82 | 161.9 | 161.4 | -53.7 | -175 | 178.6 | -175.9 | 0 | 110.1 | T208 | K206-T208 HydrophobicContact CD-CG2 4.19Š| ||
| 207 | P | 37.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | -126.4 | 157.6 | 72.1 | 36.5 | -25.5 | 0 | 0 | 0 | 112.6 | |||||
| 208 | T | 30.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 64% | 0.638 | 82% | 0.82 | S | S | * | * | cis | 61.4 | 98.9 | 28.1 | 51.3 | 0 | 0 | 0 | 0 | 118.4 | K206 | K206-T208 HydrophobicContact CD-CG2 4.19Š| ||
| 209 | S | 28.4 | Very low | 30.5 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -123.4 | 146.2 | 138.8 | -77.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 210 | S | 27.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -153 | 139 | -179.6 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 211 | T | 33.1 | Very low | 30.7 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | trans | -109 | 130 | -177.8 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 212 | Q | 28.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -88.3 | 151.3 | -177.5 | -65.9 | 178.8 | -18.9 | 0 | 0 | 112.2 | ||||
| 213 | I | 33.7 | Very low | 30.5 | Very low | 171 Ų | 171 | 153 Ų | 153 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -122 | 139.5 | 158.9 | 38.5 | 174.1 | 0 | 0 | 0 | 108.4 | ||||
| 214 | M | 28.8 | Very low | 30.8 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -93.4 | 136.3 | -175.3 | -65.5 | -173.2 | -66.5 | 0 | 0 | 111.7 | ||||
| 215 | V | 29.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 154.7 Ų | 154.7 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -111.6 | 144.2 | 163.1 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 216 | K | 36.3 | Very low | 30.8 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -122.9 | 132.2 | -172 | -157.6 | 171.8 | -174.9 | 178 | 0 | 111.4 | ||||
| 217 | T | 31.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | trans | -100.8 | 148.8 | -163.9 | -37.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 218 | N | 26.6 | Very low | 30.2 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | 169.8 | 160.5 | 144.4 | -91.3 | -16.1 | 0 | 0 | 0 | 109.1 | ||||
| 219 | M | 30.6 | Very low | 30.3 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | cis | 179.3 | 137.2 | -38.6 | -118.3 | -130 | 66.8 | 0 | 0 | 105.1 | ||||
| 220 | Y | 28.6 | Very low | 30.5 | Very low | 208 Ų | 208 | 159.3 Ų | 159.3 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -45.6 | 149.3 | -174.4 | -70.7 | -97.1 | 0 | 0 | 0 | 118.4 | ||||
| 221 | H | 26.6 | Very low | 30.7 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | -145.2 | -179 | 116.3 | -148.7 | -4.2 | 0 | 0 | 0 | 111.4 | |||||
| 222 | N | 27.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 160.1 Ų | 160.1 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -160.1 | 128 | -164.1 | -177.9 | -32.6 | 0 | 0 | 0 | 110.1 | ||||
| 223 | E | 29.3 | Very low | 31.3 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -164.4 | 165.3 | 152.7 | -123.2 | 173.3 | -161.6 | 0 | 0 | 113.4 | ||||
| 224 | K | 38.8 | Very low | 31.3 | Very low | 198 Ų | 198 | 161 Ų | 161 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -114.9 | 130.6 | 178.5 | -65.7 | 176 | 179.9 | 175.5 | 0 | 110.9 | ||||
| 225 | V | 29.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 159.2 Ų | 159.2 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -135.7 | 138.4 | 159.9 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | F227 | V225-F227 HydrophobicContact CG1-CD2 4.1Š| ||
| 226 | N | 30.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 161.8 Ų | 161.8 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 126 | 174 | 173.8 | 3.6 | 0 | 0 | 0 | 108.2 | ||||
| 227 | F | 28.5 | Very low | 32.1 | Very low | 185 Ų | 185 | 161.8 Ų | 161.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 137.6 | 168.7 | -112.1 | -79 | 0 | 0 | 0 | 113.2 | V225 | V225-F227 HydrophobicContact CG1-CD2 4.1Š| ||
| 228 | H | 31.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 161.1 Ų | 161.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -92.4 | 119.6 | 175.2 | 175.2 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 229 | V | 30.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 163.2 Ų | 163.2 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | trans | -135.4 | 136.1 | 169 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 230 | E | 33.6 | Very low | 32.7 | Very low | 134 Ų | 134 | 162.6 Ų | 162.6 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | trans | -95.6 | 113.7 | 179.5 | -178 | -174.4 | -179.6 | 0 | 0 | 110.1 | K232 | E230-K232 WeakPolarHBondContact OE1-CE 3.34Å; E230-K232 IonicContact OE1-NZ 2.6Å; E230-K232 PolarHBondContact OE1-NZ 2.98Å | ||
| 231 | C | 30.4 | Very low | 33 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 112.1 | 171.5 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 232 | K | 41.2 | Very low | 33.9 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -104 | 117.2 | 168.8 | -74.5 | 166.9 | 172.9 | 141.4 | 0 | 108.4 | E230 | E230-K232 WeakPolarHBondContact OE1-CE 3.34Å; E230-K232 IonicContact OE1-NZ 2.6Å; E230-K232 PolarHBondContact OE1-NZ 2.98Å | ||
| 233 | D | 34.2 | Very low | 34 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -135.5 | 141.3 | 165.5 | -110.8 | -47.9 | 0 | 0 | 0 | 112 | ||||
| 234 | Y | 34 | Very low | 34.5 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -113.9 | 111.5 | -169.7 | -75 | -94.5 | 0 | 0 | 0 | 111.5 | ||||
| 235 | V | 34.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -108.2 | 135.5 | 165.7 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | K | 36.5 | Very low | 34.4 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -91.2 | 115.6 | -158.6 | -61 | 159.2 | -173.3 | 166.1 | 0 | 111.5 | ||||
| 237 | K | 40.6 | Very low | 34.7 | Very low | 207 Ų | 207 | 155.4 Ų | 155.4 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -74.9 | 128 | 164.7 | -70.6 | -72.7 | -174.5 | 178.8 | 0 | 109.8 | ||||
| 238 | A | 37.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 145.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 239 | K | 32.8 | Very low | 34.7 | Very low | 200 Ų | 200 | 153.4 Ų | 153.4 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -119.1 | 92.2 | -175.6 | -171.5 | 170.8 | -175.5 | 170.8 | 0 | 111.2 | ||||
| 240 | V | 31.2 | Very low | 35.1 | Very low | 139 Ų | 139 | 154 Ų | 154 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 133.5 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 241 | K | 35.4 | Very low | 35 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -116.7 | 114.7 | -174.3 | -169.5 | -162.9 | -172.9 | -148.2 | 0 | 110.6 | N243 | K241-N243 WeakPolarHBondContact CE-OD1 3.38Å; K241-N243 PolarHBondContact NZ-OD1 3.39Å | ||
| 242 | I | 44 | Very low | 35.1 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 128.8 | 167.9 | -41.8 | 177.4 | 0 | 0 | 0 | 107 | P244 | I242-P244 WeakPolarHBondContact O-CD 3.35Š|
| 243 | N | 30.3 | Very low | 34.5 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 120.3 | -178.3 | -66.8 | -41.8 | 0 | 0 | 0 | 110.8 | K241 | K241-N243 WeakPolarHBondContact CE-OD1 3.38Å; K241-N243 PolarHBondContact NZ-OD1 3.39Å |
| 244 | P | 40 | Very low | 34.2 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 149.3 | 164.3 | 33.6 | -33 | 0 | 0 | 0 | 111.2 | I242 | I242-P244 WeakPolarHBondContact O-CD 3.35Š|
| 245 | V | 31.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 144.5 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 246 | Q | 34.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -124.3 | 163.5 | 177.9 | -80.1 | -167.2 | -18.1 | 0 | 0 | 110.5 | ||||
| 247 | Q | 35.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | cis | -107.5 | -101 | 10.2 | -67.4 | 178.4 | 9.3 | 0 | 0 | 114 | ||||
| 248 | S | 27.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -152.5 | 148 | -1 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 249 | R | 33.7 | Very low | 32.3 | Very low | 199 Ų | 199 | 143 Ų | 143 | 75% | 0.751 | 76% | 0.76 | S | S | * | * | trans | -156.3 | 155.2 | 175 | -147 | -174.3 | -173.2 | 178.3 | 5.3 | 111.4 | ||||
| 250 | P | 39.1 | Very low | 32.2 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | -134.7 | -179.5 | 121.7 | 37.8 | -28.2 | 0 | 0 | 0 | 113.6 | |||||
| 251 | L | 31.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 75% | 0.749 | S | S | * | * | trans | -145.7 | 155.1 | -167.1 | -176.9 | 70.7 | 0 | 0 | 0 | 111.3 | ||||
| 252 | L | 32.8 | Very low | 32.3 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 147.1 | 175.3 | -110.7 | 66.6 | 0 | 0 | 0 | 114.6 | ||||
| 253 | S | 27.5 | Very low | 31.7 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | cis | -155.6 | 134.6 | 12.4 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 254 | Q | 27.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | 52.4 | 129.9 | 125.9 | -167.2 | 170 | -7.8 | 0 | 0 | 123 | |||||
| 255 | I | 26.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 91 | 145.3 | 149.4 | -88.3 | 171.3 | 0 | 0 | 0 | 121.8 | ||||
| 256 | H | 26.4 | Very low | 30.9 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | 79.4 | 173.8 | 167.5 | -95.6 | -57.3 | 0 | 0 | 0 | 120.6 | ||||
| 257 | T | 29.6 | Very low | 30.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | trans | -145.8 | 157.3 | -132.6 | 47.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 258 | D | 29.4 | Very low | 30.2 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 80.5 | 164.9 | 149.3 | -146.3 | -1.5 | 0 | 0 | 0 | 118.9 | ||||
| 259 | A | 30.7 | Very low | 30.3 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 61.1 | 87.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 260 | A | 31.6 | Very low | 30.4 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 64.5 | 141.4 | 108.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 261 | K | 35.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 78.6 | 112.8 | 143.1 | -74.9 | 167 | 162.6 | -84.9 | 0 | 121.4 | ||||
| 262 | E | 32.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | 87.7 | 145.3 | 120.6 | -71.3 | 174.7 | -135.5 | 0 | 0 | 122.9 | |||||
| 263 | N | 30.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | 70.5 | 102.9 | 151.3 | -61.4 | -34.3 | 0 | 0 | 0 | 121.6 | ||||
| 264 | T | 30.4 | Very low | 30.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 42.5 | 113.4 | 106.4 | -49.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 265 | C | 27.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | -163.2 | 158.3 | 116.7 | -149.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 266 | Y | 28 | Very low | 31.3 | Very low | 213 Ų | 213 | 136.6 Ų | 136.6 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -110.8 | 132.2 | 178.1 | 175.9 | -83.1 | 0 | 0 | 0 | 109.5 | ||||
| 267 | C | 26.6 | Very low | 31.7 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 91% | 0.912 | 75% | 0.749 | S | S | * | * | trans | -159.9 | 138.1 | 156.8 | -102.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 268 | G | 28.4 | Very low | 31.7 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -128.6 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 269 | A | 31.4 | Very low | 31.7 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -127.8 | 114.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 270 | V | 34.6 | Very low | 31.7 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | 26 | 129.2 | 146.1 | -75.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 271 | A | 32.2 | Very low | 32.5 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | cis | -161.6 | -162.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 272 | K | 32 | Very low | 32.3 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | cis | -156.9 | 161.6 | 35.4 | -64.5 | 172.3 | -173.2 | 172.6 | 0 | 113.7 | ||||
| 273 | R | 37 | Very low | 32.2 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | trans | -11.5 | 145.3 | 148.4 | -66.3 | 176.5 | 168.8 | -111.6 | 4.9 | 117.2 | ||||
| 274 | Q | 33.2 | Very low | 32 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | cis | -169.2 | 165.8 | 3 | -103.7 | 170.8 | -86.3 | 0 | 0 | 106.7 | ||||
| 275 | E | 30.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 140 Ų | 140 | 53% | 0.528 | 76% | 0.761 | S | S | . | * | cis | 179.9 | 156.4 | -9.1 | 169.7 | -178.9 | 119.3 | 0 | 0 | 110.5 | ||||
| 276 | K | 39.4 | Very low | 31.9 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 138.5 | 171.8 | -76.4 | 150.2 | -175.1 | 158.2 | 0 | 116.4 | ||||
| 277 | K | 34.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | cis | -168.5 | 155.7 | -2.2 | -171.9 | -118.3 | -176.8 | -144.8 | 0 | 108.2 | M279 | K277-M279 PolarHBondContact NZ-SD 3.13Š| ||
| 278 | G | 30 | Very low | 32.9 | Very low | 55 Ų | 55 | 133.5 Ų | 133.5 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | cis | 131.8 | 94.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 279 | M | 29.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | 168.7 | 98.9 | 164 | -104.7 | 149.9 | 67.6 | 0 | 0 | 110.4 | K277 | K277-M279 PolarHBondContact NZ-SD 3.13Š| ||
| 280 | E | 30.6 | Very low | 33.1 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | 30.7 | 161.4 | 114.6 | -79.3 | -144.6 | 116.5 | 0 | 0 | 123 | |||||
| 281 | P | 48 | Very low | 33.1 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | cis | -149.7 | 179.3 | -22.4 | 38.6 | -19 | 0 | 0 | 0 | 118.7 | ||||
| 282 | L | 31.7 | Very low | 33 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 81.8 | 149.5 | 137.4 | -94.6 | 155.8 | 0 | 0 | 0 | 124.2 | ||||
| 283 | Q | 30.3 | Very low | 33 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 63.4 | 144.8 | 169.7 | -76.2 | 175.2 | -43.6 | 0 | 0 | 118.9 | ||||
| 284 | G | 26.3 | Very low | 32.7 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 165.2 | 143.9 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 285 | H | 27.8 | Very low | 32.4 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 89% | 0.889 | 75% | 0.754 | S | S | * | * | trans | 64.4 | 138.9 | 165 | -74.4 | -90.4 | 0 | 0 | 0 | 122.3 | ||||
| 286 | A | 27.3 | Very low | 32.7 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 128.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 287 | T | 27.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -46.4 | 172.4 | 148.8 | 35.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 288 | P | 48 | Very low | 32.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -137.4 | -155 | -11.3 | 33.5 | -10.4 | 0 | 0 | 0 | 113.2 | ||||
| 289 | A | 24.4 | Very low | 32.4 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 102.6 | 131.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 290 | L | 38.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 158 | 160.1 | -62.6 | 171.1 | 0 | 0 | 0 | 109.2 | ||||
| 291 | P | 34.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -132.7 | 169.7 | 116.2 | 37.8 | -30.7 | 0 | 0 | 0 | 113.3 | |||||
| 292 | F | 30.3 | Very low | 32.5 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -123.4 | 124.6 | -175.9 | -178.4 | -77.5 | 0 | 0 | 0 | 109.6 | ||||
| 293 | K | 33.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -178.2 | 129.5 | 149.7 | -108.6 | 171.8 | 178.6 | -83 | 0 | 113.3 | ||||
| 294 | E | 30.1 | Very low | 33.3 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | 42.9 | 125.7 | 114.3 | -169 | 177.2 | -151.7 | 0 | 0 | 120 | |||||
| 295 | T | 27.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | 176.8 | 152.6 | 116.8 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 296 | Q | 36 | Very low | 33.8 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -98.3 | 150.7 | 169.9 | -60.4 | 173.8 | -2.1 | 0 | 0 | 110.3 | ||||
| 297 | E | 29.2 | Very low | 33.8 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 157.3 | 160 | -78 | -151.9 | 141.5 | 0 | 0 | 113.2 | ||||
| 298 | L | 38.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -119.9 | 153.4 | -166.8 | -61.2 | 159.5 | 0 | 0 | 0 | 110.3 | ||||
| 299 | L | 30.3 | Very low | 33.6 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -156.6 | 148.3 | 151.8 | -66 | -176.9 | 0 | 0 | 0 | 108.7 | ||||
| 300 | L | 31.8 | Very low | 33.9 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | cis | -165.3 | 164 | -22.2 | -117.8 | -177.4 | 0 | 0 | 0 | 109.3 | ||||
| 301 | S | 29.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -132.8 | 153.8 | 164.5 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 302 | P | 50.2 | Low | 33.4 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -112 | 162.9 | 169 | 4 | 19 | 0 | 0 | 0 | 115.6 | ||||
| 303 | L | 28.7 | Very low | 33.4 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 173.3 | -175.9 | -141.6 | 77.5 | 0 | 0 | 0 | 113 | ||||
| 304 | P | 48.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -132.5 | 146.1 | 72.3 | 9.8 | 15.7 | 0 | 0 | 0 | 115.1 | |||||
| 305 | Q | 34.7 | Very low | 33.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 60.1 | 135.6 | 96.6 | -94.5 | -173.9 | -76 | 0 | 0 | 116.2 | |||||
| 306 | E | 29.6 | Very low | 33.7 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | cis | -137.8 | -176.1 | 7.7 | -57.9 | -160.5 | 112.9 | 0 | 0 | 113.1 | ||||
| 307 | G | 27.3 | Very low | 33.6 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -118.5 | -149.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 308 | P | 45.5 | Very low | 33.7 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | cis | -127.7 | 174.4 | -9.3 | 41.5 | -26.7 | 0 | 0 | 0 | 114 | ||||
| 309 | G | 27.6 | Very low | 33.5 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -168.2 | 141.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 310 | S | 29.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -97.8 | 152.1 | -168.9 | -98.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 311 | L | 30.3 | Very low | 33.5 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | 75 | 148.9 | 142.1 | -71.9 | 166.7 | 0 | 0 | 0 | 122.7 | ||||
| 312 | A | 32.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 86 | 148 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 313 | A | 30.8 | Very low | 32.5 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -84 | 163.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 314 | G | 30 | Very low | 32.5 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -173.5 | 131.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 315 | E | 33.3 | Very low | 31.7 | Very low | 188 Ų | 188 | 121.5 Ų | 121.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 165.5 | -173.7 | -62.2 | 163.7 | 92.4 | 0 | 0 | 113.6 | ||||
| 316 | S | 34.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | 93.6 | 136.7 | 139.3 | 82.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 317 | S | 32.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 75.1 | 120.6 | 137 | -67 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 318 | S | 31.6 | Very low | 31.7 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | 95.4 | 102.9 | 127.9 | 67.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 319 | L | 34.3 | Very low | 31 | Very low | 163 Ų | 163 | 118.6 Ų | 118.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | 69.3 | 132.8 | 121.2 | -65.4 | 174.5 | 0 | 0 | 0 | 122.3 | |||||
| 320 | S | 32.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 87.7 | 96.1 | 142.2 | -63.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 321 | A | 29.3 | Very low | 31.4 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | 91.5 | 135.9 | 114.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 322 | S | 29.8 | Very low | 31.7 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 71.2 | 99.6 | 148.1 | -58.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 323 | T | 30.5 | Very low | 31.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -151.7 | 114.4 | 131.7 | 35.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 324 | S | 28.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 20.6 | 125.1 | 140.5 | 55.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 325 | V | 31.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -111.4 | 159.2 | 158.8 | -71.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 326 | S | 30.9 | Very low | 33.3 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -156.7 | 149.4 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 327 | D | 29.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | cis | -164.8 | 170 | -15.8 | 176.7 | 38.5 | 0 | 0 | 0 | 108.1 | ||||
| 328 | S | 30 | Very low | 33.6 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 74 | 148 | 167.1 | 121 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 329 | S | 31.1 | Very low | 33.7 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -148.5 | 141 | 1 | -85.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 330 | Q | 33.5 | Very low | 33.6 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 134.2 | 154 | -77 | -167.8 | -50 | 0 | 0 | 109.4 | ||||
| 331 | K | 32.8 | Very low | 33.8 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -89.4 | 129.6 | 169.6 | -68.6 | -174.5 | 176.5 | -173.5 | 0 | 109.4 | ||||
| 332 | K | 37.4 | Very low | 34.1 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 74% | 0.735 | 79% | 0.792 | S | S | * | * | trans | -138.5 | 147.2 | 151.7 | 61.2 | -167.2 | -177.2 | 85.9 | 0 | 108.6 | E334 | K332-E334 IonicContact NZ-OE1 2.68Å; K332-E334 PolarHBondContact NZ-OE1 3.08Å; K332-E334 IonicContact NZ-OE2 3.17Å | ||
| 333 | E | 36.2 | Very low | 34.3 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -113.8 | 110.9 | -163.9 | -175.5 | 167.8 | 178.8 | 0 | 0 | 108 | ||||
| 334 | E | 41.5 | Very low | 34.4 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -125.9 | 126.3 | -174.8 | -77.4 | 166.2 | -147.2 | 0 | 0 | 108.9 | K332 | K332-E334 IonicContact NZ-OE1 2.68Å; K332-E334 PolarHBondContact NZ-OE1 3.08Å; K332-E334 IonicContact NZ-OE2 3.17Å | ||
| 335 | H | 37.6 | Very low | 34.7 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 143.1 | -175.3 | -75.6 | -89.9 | 0 | 0 | 0 | 111.7 | ||||
| 336 | N | 44.5 | Very low | 34.7 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 146.8 | 177.4 | -125.3 | -98.8 | 0 | 0 | 0 | 111.4 | ||||
| 337 | Y | 33.3 | Very low | 34.8 | Very low | 235 Ų | 235 | 152.6 Ų | 152.6 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | -148.6 | 148 | 107.6 | -96.2 | -67.5 | 0 | 0 | 0 | 110.6 | |||||
| 338 | S | 38.8 | Very low | 35 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -122.8 | 133.2 | -174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 339 | L | 33.8 | Very low | 35.8 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -163.4 | 105.2 | 161 | -119.9 | 165.7 | 0 | 0 | 0 | 110 | ||||
| 340 | F | 33.8 | Very low | 35.7 | Very low | 200 Ų | 200 | 156.4 Ų | 156.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | -172.8 | 151.7 | 128.8 | -87.8 | -56.5 | 0 | 0 | 0 | 108.8 | |||||
| 341 | V | 35.7 | Very low | 35.6 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -104.6 | 149.1 | -173 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 342 | S | 34.4 | Very low | 35.2 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | -51.6 | 150.1 | 174.6 | -40.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 343 | D | 34.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | -161.9 | 173.1 | 96.5 | -119.3 | -35.1 | 0 | 0 | 0 | 114.4 | |||||
| 344 | N | 32 | Very low | 35.3 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -99.5 | 145.8 | -176.6 | -58.1 | -102 | 0 | 0 | 0 | 111.6 | ||||
| 345 | L | 35.1 | Very low | 34.8 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | trans | 168.8 | 147.9 | 133 | -176.8 | 61 | 0 | 0 | 0 | 111.8 | ||||
| 346 | G | 31.3 | Very low | 34.6 | Very low | 59 Ų | 59 | 144.1 Ų | 144.1 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | 106.7 | 94.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 347 | E | 33.9 | Very low | 34.2 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | trans | 40.2 | 145.3 | 135.5 | -57.6 | -173.9 | 132.6 | 0 | 0 | 123.7 | ||||
| 348 | Q | 33.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -95.8 | -175.8 | 170.9 | -74.3 | -142.2 | 26.2 | 0 | 0 | 111.3 | ||||
| 349 | P | 47 | Very low | 34.2 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | cis | -133.3 | 169.6 | -48.8 | 36.2 | -22.8 | 0 | 0 | 0 | 112.4 | ||||
| 350 | T | 29.2 | Very low | 34.5 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | trans | -166.7 | 168.4 | 138.6 | 4.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 351 | K | 30.5 | Very low | 34.7 | Very low | 202 Ų | 202 | 141 Ų | 141 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -90.5 | 145.9 | 176.3 | -48.3 | 167.9 | -178 | 175.6 | 0 | 110.6 | ||||
| 352 | C | 25.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 91% | 0.905 | 77% | 0.77 | S | S | * | * | -160.4 | 178.7 | 118.6 | -147.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 353 | S | 25.9 | Very low | 35.1 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -149.4 | 177.2 | -176 | -166.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 354 | P | 49.6 | Very low | 35.4 | Very low | 91 Ų | 91 | 144 Ų | 144 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | cis | -111.9 | -130.6 | -45.7 | 26.6 | -3.5 | 0 | 0 | 0 | 108.4 | ||||
| 355 | E | 31.1 | Very low | 36.2 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 74 | 140.2 | 158.7 | -68.3 | 151.5 | -140.4 | 0 | 0 | 116.1 | ||||
| 356 | E | 33.3 | Very low | 36.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -164.3 | 171.3 | -11.7 | -124.9 | 162.2 | -170.6 | 0 | 0 | 109.4 | ||||
| 357 | D | 35.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 59.6 | -179.5 | 152.6 | -57 | -14.9 | 0 | 0 | 0 | 118.6 | ||||
| 358 | E | 38.2 | Very low | 38.7 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | -156.8 | 166.9 | -35.6 | -102.7 | 171.3 | 163.6 | 0 | 0 | 104.5 | ||||
| 359 | E | 35 | Very low | 39.4 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -154.6 | 172.7 | 8.5 | -132.7 | 173.2 | 166.7 | 0 | 0 | 107.1 | ||||
| 360 | D | 39.2 | Very low | 39.4 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 65.5 | 131 | 152.9 | -62 | -10.9 | 0 | 0 | 0 | 122.7 | ||||
| 361 | E | 37.4 | Very low | 40.3 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | 91.8 | 114.4 | 40.3 | -70.3 | -83 | -152.8 | 0 | 0 | 114.3 | ||||
| 362 | E | 39.8 | Very low | 41 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -163.7 | 157.8 | 135.9 | -121.7 | 177.8 | -158.6 | 0 | 0 | 110.9 | ||||
| 363 | D | 39.2 | Very low | 41.5 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -119.7 | 161.2 | -142.8 | -151.9 | -1.6 | 0 | 0 | 0 | 114.5 | ||||
| 364 | V | 41 | Very low | 42 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | 41.1 | 129.7 | 165.9 | -65.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 365 | D | 49.2 | Very low | 41.4 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | -147.3 | 135.3 | 121.4 | -151.7 | -0.7 | 0 | 0 | 0 | 109.6 | |||||
| 366 | D | 43.4 | Very low | 41.8 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -116.8 | 103.3 | -172.2 | -82.9 | -47 | 0 | 0 | 0 | 110.7 | ||||
| 367 | E | 59.1 | Low | 41.9 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -128.7 | 99.6 | 168.1 | -81.5 | -161.4 | 146.6 | 0 | 0 | 113.4 | ||||
| 368 | D | 49.3 | Very low | 42.2 | Very low | 144 Ų | 144 | 150 Ų | 150 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 34.7 | 109.4 | 148.9 | -73.6 | -25 | 0 | 0 | 0 | 122.1 | ||||
| 369 | H | 49.1 | Very low | 42 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | 32.5 | 106.9 | 124.3 | -73.2 | -76.9 | 0 | 0 | 0 | 120.4 | |||||
| 370 | D | 45.9 | Very low | 41.9 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 134.2 | 131.1 | -166 | 5.2 | 0 | 0 | 0 | 110.1 | G372 | D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.45Å | ||
| 371 | E | 50 | Low | 41.5 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -87 | 62.5 | -176.1 | -71.6 | -166.9 | 174.8 | 0 | 0 | 111.7 | F373 | E371-F373 PolarHBondContact O-N 2.85Š| ||
| 372 | G | 43.7 | Very low | 41.2 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 57.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D370 G374 | D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.45Å; G372-G374 PolarHBondContact O-N 3.11Å | ||
| 373 | F | 36.9 | Very low | 41.1 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 123.7 | -174.6 | -143.9 | -82.1 | 0 | 0 | 0 | 112.4 | E371 | E371-F373 PolarHBondContact O-N 2.85Š| ||
| 374 | G | 36.6 | Very low | 40.9 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 144.5 | 69.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | G372 | G372-G374 PolarHBondContact O-N 3.11Š| ||
| 375 | S | 37.2 | Very low | 40.6 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -85.1 | 154.4 | 161.5 | 71 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 376 | E | 37.6 | Very low | 40 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 26.2 | 115.3 | 157.2 | 71.6 | -140.5 | 118.1 | 0 | 0 | 121.1 | ||||
| 377 | H | 35.4 | Very low | 39.5 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | -173.7 | 102.7 | 123.9 | -173.5 | -107.4 | 0 | 0 | 0 | 111.7 | L379 | H377-L379 PolarHBondContact O-N 3.32Å; H377-L379 VanDerWaalsContact O-N 3.1Å | |||
| 378 | E | 43.6 | Very low | 38.5 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 86.9 | 171.4 | -73 | -166.9 | 146.3 | 0 | 0 | 111.9 | ||||
| 379 | L | 34 | Very low | 37.9 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | -151.5 | 140.5 | 154.4 | -76.1 | -174.6 | 0 | 0 | 0 | 113.7 | H377 | H377-L379 PolarHBondContact O-N 3.32Å; H377-L379 VanDerWaalsContact O-N 3.1Å | ||
| 380 | S | 32.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 74.1 | 157.4 | 150.4 | 59.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 381 | E | 30.5 | Very low | 37.1 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 73.4 | 94.7 | 160.9 | -136.7 | 126.6 | -100.8 | 0 | 0 | 117.9 | ||||
| 382 | N | 30.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | trans | -126.3 | 84 | 148.1 | -163.4 | 67.9 | 0 | 0 | 0 | 107.3 | E384 | N382-E384 PolarHBondContact ND2-OE1 3.1Å; N382-E384 PolarHBondContact O-N 3.48Å | ||
| 383 | E | 38 | Very low | 36.9 | Very low | 173 Ų | 173 | 161.6 Ų | 161.6 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 98.1 | 167.4 | -175.9 | 161.6 | -128.6 | 0 | 0 | 106.3 | ||||
| 384 | E | 36.1 | Very low | 37.4 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 116.4 | -170.9 | -151.9 | 159.1 | -106.4 | 0 | 0 | 110.3 | N382 | N382-E384 PolarHBondContact ND2-OE1 3.1Å; N382-E384 PolarHBondContact O-N 3.48Å | ||
| 385 | E | 34.5 | Very low | 37.8 | Very low | 165 Ų | 165 | 161.3 Ų | 161.3 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | -83.5 | 136.2 | -174.8 | -61.2 | 171.7 | 135.1 | 0 | 0 | 111.4 | ||||
| 386 | E | 36 | Very low | 38.5 | Very low | 198 Ų | 198 | 164.1 Ų | 164.1 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -121.7 | 85.4 | 158.6 | -78.1 | -170.9 | 150.3 | 0 | 0 | 108.2 | ||||
| 387 | E | 33.3 | Very low | 39.1 | Very low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 116 | 160.8 | -63.6 | -159.7 | 139.1 | 0 | 0 | 108.6 | ||||
| 388 | E | 38.3 | Very low | 39.9 | Very low | 197 Ų | 197 | 163.4 Ų | 163.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -90.3 | 132.2 | 166.9 | -76.3 | -167.9 | 138 | 0 | 0 | 110 | ||||
| 389 | E | 35.2 | Very low | 40.1 | Very low | 193 Ų | 193 | 161.2 Ų | 161.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -72 | 136.9 | -173.9 | -55 | 169.5 | 134.4 | 0 | 0 | 112.6 | ||||
| 390 | E | 35.2 | Very low | 40.9 | Very low | 175 Ų | 175 | 162.8 Ų | 162.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -114.8 | 92.2 | 158.4 | -79.2 | -160.4 | 151 | 0 | 0 | 110.4 | ||||
| 391 | D | 44 | Very low | 41.5 | Very low | 128 Ų | 128 | 162.4 Ų | 162.4 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | -66.6 | 119.3 | 167.2 | 165.2 | 34.5 | 0 | 0 | 0 | 111.4 | ||||
| 392 | Y | 42.8 | Very low | 42.4 | Very low | 203 Ų | 203 | 160.9 Ų | 160.9 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -145.2 | 113 | 161.7 | -76.6 | -69.9 | 0 | 0 | 0 | 111.3 | ||||
| 393 | E | 46.3 | Very low | 42.8 | Very low | 182 Ų | 182 | 160.4 Ų | 160.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -44.8 | 144.5 | 179.5 | -69.5 | -87.4 | -145.7 | 0 | 0 | 116 | ||||
| 394 | D | 48.5 | Very low | 43.1 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -86.1 | 132.9 | 167.7 | 177.8 | 32.2 | 0 | 0 | 0 | 111.3 | ||||
| 395 | D | 43.2 | Very low | 43.4 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 101.7 | 160.5 | -169.1 | 0.5 | 0 | 0 | 0 | 109.2 | ||||
| 396 | K | 52 | Low | 43.6 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | trans | 168.9 | 105.1 | 133.8 | -88.3 | -71.6 | 153.9 | -83 | 0 | 112.2 | ||||
| 397 | D | 50.8 | Low | 44.5 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -60.4 | 151.3 | 154.6 | -52.9 | -80.3 | 0 | 0 | 0 | 111.5 | ||||
| 398 | D | 52.4 | Low | 44.5 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -165.6 | 129.3 | 138.7 | -102.2 | -30.7 | 0 | 0 | 0 | 110.1 | ||||
| 399 | D | 47.8 | Very low | 44.5 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -42.8 | 134.8 | -161.4 | -79.3 | -50.2 | 0 | 0 | 0 | 119.7 | S401 | D399-S401 PolarHBondContact O-N 3.13Š| ||
| 400 | I | 51.3 | Low | 44.5 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 107.8 | 149.9 | 171.1 | 171.9 | 0 | 0 | 0 | 109.8 | ||||
| 401 | S | 44.3 | Very low | 44.5 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -112.9 | 96.5 | 162.1 | 45.2 | 0 | 0 | 0 | 0 | 110.3 | D399 T403 | D399-S401 PolarHBondContact O-N 3.13Å; S401-T403 PolarHBondContact O-N 2.9Å | ||
| 402 | D | 48.3 | Very low | 44 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 126.9 | 168.1 | -169.9 | -1.5 | 0 | 0 | 0 | 109 | ||||
| 403 | T | 40.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -145.8 | 78.4 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | S401 S405 | S401-T403 PolarHBondContact O-N 2.9Å; T403-S405 PolarHBondContact O-N 3.26Å | ||
| 404 | F | 43.9 | Very low | 43.4 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | trans | -31.7 | 128.4 | 157.8 | -162.7 | -94.7 | 0 | 0 | 0 | 112.8 | E406 | F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-E406 HydrophobicContact CE1-CB 4.26Å; F404-E406 HydrophobicContact CE1-CG 3.57Å; F404-E406 HydrophobicContact CZ-CG 3.69Å | ||
| 405 | S | 43.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -151.2 | 105.2 | 167.8 | -77 | 0 | 0 | 0 | 0 | 109.2 | T403 | T403-S405 PolarHBondContact O-N 3.26Š| ||
| 406 | E | 38.2 | Very low | 42.6 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 164.5 | -177.5 | -98.7 | 179.7 | 148.7 | 0 | 0 | 113.3 | F404 | F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-E406 HydrophobicContact CE1-CB 4.26Å; F404-E406 HydrophobicContact CE1-CG 3.57Å; F404-E406 HydrophobicContact CZ-CG 3.69Å |
| 407 | P | 53.5 | Low | 41.9 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.6 | -161.5 | 29.7 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 408 | G | 33.7 | Very low | 41.3 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 121.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 409 | Y | 39.9 | Very low | 40.4 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 131.8 | 174.2 | 170.2 | -76.9 | 0 | 0 | 0 | 110.2 | ||
| 410 | E | 35.1 | Very low | 39.9 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | -159.9 | 117.1 | 153 | -123.8 | 169 | -141.2 | 0 | 0 | 114.5 | ||||
| 411 | N | 34.4 | Very low | 39.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 57% | 0.572 | 73% | 0.732 | S | S | * | * | trans | 26.9 | 118.5 | 147.7 | -89.9 | 50.2 | 0 | 0 | 0 | 124.5 | ||||
| 412 | D | 32.5 | Very low | 38.8 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | 84.2 | 161 | 103.9 | -156.9 | 18.4 | 0 | 0 | 0 | 121.7 | |||||
| 413 | S | 37.7 | Very low | 38.7 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | 89.7 | 89.1 | 162.7 | -167.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 414 | V | 39.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 65.4 | 129.9 | 136.9 | -46.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 415 | E | 39.4 | Very low | 38 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | 15.7 | 119.4 | 129 | -97.8 | 64.6 | -159.4 | 0 | 0 | 121.7 | |||||
| 416 | D | 36.2 | Very low | 38.3 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 125.2 | 151.6 | 110.8 | -159.4 | 28.6 | 0 | 0 | 0 | 118.4 | |||||
| 417 | L | 37.5 | Very low | 38.6 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | 68 | 83.8 | 152.9 | -128.3 | 60.5 | 0 | 0 | 0 | 120.3 | ||||
| 418 | K | 38.3 | Very low | 38.6 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 68% | 0.683 | 77% | 0.771 | S | S | * | * | 58.7 | 137.2 | 110.4 | -174.9 | 172.1 | 176.1 | -76.4 | 0 | 119.7 | |||||
| 419 | E | 33.5 | Very low | 39.6 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 150.9 | 172.4 | -84.1 | 172.2 | 102.3 | 0 | 0 | 115.3 | ||||
| 420 | M | 37 | Very low | 40.5 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | cis | -153.5 | 148 | -11 | 176.6 | 56.1 | 155.7 | 0 | 0 | 108.8 | ||||
| 421 | T | 40.3 | Very low | 41.8 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -3.6 | 123.1 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 422 | S | 31.9 | Very low | 43.7 | Very low | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -162 | 107.4 | 140.8 | -90.4 | 0 | 0 | 0 | 0 | 116.2 | S424 | S422-S424 PolarHBondContact O-N 3.41Š| ||
| 423 | I | 47.1 | Very low | 45.7 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 20.1 | 79.5 | 136.5 | -35.4 | 176.2 | 0 | 0 | 0 | 118 | ||||
| 424 | S | 33.8 | Very low | 46.9 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -166.1 | 152.4 | 157.2 | -97.6 | 0 | 0 | 0 | 0 | 111.9 | S422 | S422-S424 PolarHBondContact O-N 3.41Š| ||
| 425 | S | 34.8 | Very low | 48.4 | Very low | 93 Ų | 93 | 158.6 Ų | 158.6 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -147.5 | 153.4 | -9.4 | 62.9 | 0 | 0 | 0 | 0 | 110.1 | K427 | S425-K427 PolarHBondContact O-N 2.86Å; S425-K427 VanDerWaalsContact O-N 3.12Å | ||
| 426 | R | 50.2 | Low | 49.6 | Very low | 259 Ų | 259 | 154.2 Ų | 154.2 | 98% | 0.977 | 74% | 0.738 | S | S | * | * | trans | -83.2 | 81.4 | -179.3 | -67.2 | -175.8 | -175.2 | 171.5 | 2.4 | 112.3 | ||||
| 427 | K | 45.1 | Very low | 51 | Low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -93.9 | 97.3 | 162.9 | -81.4 | -172.2 | 174.2 | -179.4 | 0 | 111.2 | S425 | S425-K427 PolarHBondContact O-N 2.86Å; S425-K427 VanDerWaalsContact O-N 3.12Å | ||
| 428 | R | 53.6 | Low | 52 | Low | 254 Ų | 254 | 151.8 Ų | 151.8 | 96% | 0.958 | 73% | 0.725 | S | S | * | * | trans | -63 | 137.5 | 154.8 | -74.2 | -176.1 | 171.9 | -162.5 | -1.4 | 107.5 | ||||
| 429 | G | 54 | Low | 52.6 | Low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 166.5 | -13.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 430 | K | 59.8 | Low | 53.5 | Low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -107.1 | 124.7 | 168.3 | -131.1 | 75.1 | 174.8 | -177 | 0 | 109.3 | R432 | K430-R432 PolarHBondContact O-N 3.43Š| ||
| 431 | R | 62.3 | Low | 54 | Low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -75.8 | 101.3 | 172.1 | -173.2 | -174.7 | -166.8 | -160.6 | 6.9 | 106.8 | Y433 | R431-Y433 PolarHBondContact O-N 2.84Š| ||
| 432 | R | 72.9 | Confident | 54.1 | Low | 116 Ų | 116 | 150.8 Ų | 150.8 | 44% | 0.438 | 73% | 0.725 | S | S | . | * | trans | -62.3 | 131.3 | -175.4 | -72.2 | -163.5 | -66.6 | -92.3 | 4.6 | 111.4 | K430 E436 Y437 | K430-R432 PolarHBondContact O-N 3.43Å; R432-E436 WeakPolarHBondContact CA-OE2 3.25Å; R432-E436 HydrophobicContact CB-CB 4.44Å; R432-E436 WeakPolarHBondContact CB-OE2 3.33Å; R432-E436 VanDerWaalsContact CG-OE2 3.24Å; R432-E436 WeakPolarHBondContact CG-OE2 3.45Å; R432-Y437 HydrophobicContact CB-CE2 3.83Å | ||
| 433 | Y | 75.9 | Confident | 54.5 | Low | 161 Ų | 161 | 150.9 Ų | 150.9 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | trans | -72.4 | 150.8 | 172 | -60.7 | -74.2 | 0 | 0 | 0 | 109.5 | R431 W435 E436 | R431-Y433 PolarHBondContact O-N 2.84Å; Y433-W435 PolarHBondContact O-N 3.46Å; Y433-W435 VanDerWaalsContact O-N 3.08Å; Y433-E436 WeakPolarHBondContact CD2-OE1 3.34Å; Y433-E436 PolarHBondContact N-OE2 3.24Å; Y433-E436 WeakPolarHBondContact O-CB 3.25Å; Y433-E436 PolarHBondContact O-N 2.87Å | ||
| 434 | F | 63.2 | Low | 54.2 | Low | 149 Ų | 149 | 147.8 Ų | 147.8 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -62.5 | -26.3 | -169.7 | 106.6 | -104.8 | 0 | 0 | 0 | 113.2 | E436 Y437 | F434-E436 VanDerWaalsContact C-N 3.27Å; F434-E436 PolarHBondContact O-N 2.85Å; F434-Y437 WeakPolarHBondContact O-CD2 3.49Å; F434-Y437 PolarHBondContact O-N 3.02Å |
| 435 | W | 69.1 | Low | 54.5 | Low | 190 Ų | 190 | 151.2 Ų | 151.2 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -62.8 | -28.7 | 174.2 | -31.5 | 105 | 0 | 0 | 0 | 113.5 | Y433 Y437 | Y433-W435 PolarHBondContact O-N 3.46Å; Y433-W435 VanDerWaalsContact O-N 3.08Å; W435-Y437 PolarHBondContact O-N 3.47Å |
| 436 | E | 65.9 | Low | 54.9 | Low | 80 Ų | 80 | 154.3 Ų | 154.3 | 37% | 0.374 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -76.6 | 1 | -177.2 | -58.6 | 175.4 | 171.6 | 0 | 0 | 113.5 | R432 Y433 F434 | R432-E436 WeakPolarHBondContact CA-OE2 3.25Å; R432-E436 HydrophobicContact CB-CB 4.44Å; R432-E436 WeakPolarHBondContact CB-OE2 3.33Å; R432-E436 VanDerWaalsContact CG-OE2 3.24Å; R432-E436 WeakPolarHBondContact CG-OE2 3.45Å; Y433-E436 WeakPolarHBondContact CD2-OE1 3.34Å; Y433-E436 PolarHBondContact N-OE2 3.24Å; Y433-E436 WeakPolarHBondContact O-CB 3.25Å; Y433-E436 PolarHBondContact O-N 2.87Å; F434-E436 VanDerWaalsContact C-N 3.27Å; F434-E436 PolarHBondContact O-N 2.85Å |
| 437 | Y | 64.1 | Low | 54.5 | Low | 124 Ų | 124 | 149.9 Ų | 149.9 | 49% | 0.486 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -86 | -18.9 | -179.2 | -77 | -106.9 | 0 | 0 | 0 | 113.3 | R432 F434 W435 E439 | R432-Y437 HydrophobicContact CB-CE2 3.83Å; F434-Y437 WeakPolarHBondContact O-CD2 3.49Å; F434-Y437 PolarHBondContact O-N 3.02Å; W435-Y437 PolarHBondContact O-N 3.47Å; Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.4Å |
| 438 | S | 60.4 | Low | 54.4 | Low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -66.6 | -30.8 | -177.2 | -56 | 0 | 0 | 0 | 0 | 113.6 | Q440 | S438-Q440 VanDerWaalsContact C-N 3.32Å; S438-Q440 PolarHBondContact O-N 2.88Å |
| 439 | E | 49.7 | Very low | 53.5 | Low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -71.8 | -24.5 | -175.2 | -168.6 | 176.2 | -138.1 | 0 | 0 | 113.3 | Y437 | Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.4Å |
| 440 | Q | 52.8 | Low | 53.2 | Low | 119 Ų | 119 | 149.2 Ų | 149.2 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -94.1 | 3.8 | -176.5 | -71.1 | 164.7 | 42.7 | 0 | 0 | 113.4 | S438 | S438-Q440 VanDerWaalsContact C-N 3.32Å; S438-Q440 PolarHBondContact O-N 2.88Å |
| 441 | L | 47.2 | Very low | 52.8 | Low | 144 Ų | 144 | 150.4 Ų | 150.4 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | -133.5 | 46.9 | -179.8 | -69.2 | 176.6 | 0 | 0 | 0 | 111.7 | P443 | L441-P443 WeakPolarHBondContact O-CD 3.47Š| ||
| 442 | T | 43 | Very low | 51.9 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -63.4 | 112.3 | 153.2 | 41.4 | 0 | 0 | 0 | 0 | 107.8 | S444 | T442-S444 PolarHBondContact O-N 3.24Š| ||
| 443 | P | 39.2 | Very low | 51 | Low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -65.7 | 125.7 | 172.4 | 28.7 | -32.3 | 0 | 0 | 0 | 106.9 | L441 Q445 | L441-P443 WeakPolarHBondContact O-CD 3.47Å; P443-Q445 PolarHBondContact O-N 2.79Å; P443-Q445 VanDerWaalsContact O-N 3.08Å | ||
| 444 | S | 40.8 | Very low | 49.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -59.5 | 121.7 | 172.1 | 49 | 0 | 0 | 0 | 0 | 108.1 | T442 Q446 | T442-S444 PolarHBondContact O-N 3.24Å; S444-Q446 PolarHBondContact O-N 2.62Å | ||
| 445 | Q | 41.1 | Very low | 49.1 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | trans | -70 | 75 | 172.8 | -74.7 | 179.3 | -31.2 | 0 | 0 | 108.7 | P443 E447 | P443-Q445 PolarHBondContact O-N 2.79Å; P443-Q445 VanDerWaalsContact O-N 3.08Å; Q445-E447 PolarHBondContact O-N 3.27Å | ||
| 446 | Q | 42.1 | Very low | 48.2 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -64 | 95.3 | 150.7 | -79.8 | -164.5 | -22 | 0 | 0 | 106.4 | S444 R448 | S444-Q446 PolarHBondContact O-N 2.62Å; Q446-R448 PolarHBondContact O-N 2.89Å | ||
| 447 | E | 42.4 | Very low | 47.6 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | trans | -60.6 | 76.5 | 167.7 | -170.4 | -174.6 | -173.8 | 0 | 0 | 109 | Q445 M449 | Q445-E447 PolarHBondContact O-N 3.27Å; E447-M449 PolarHBondContact O-N 3.5Å | ||
| 448 | R | 44.2 | Very low | 47.2 | Very low | 196 Ų | 196 | 142 Ų | 142 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -71.8 | 87.1 | 172.5 | -177.6 | -171 | -59.6 | 138.1 | 7.6 | 106.4 | Q446 L450 | Q446-R448 PolarHBondContact O-N 2.89Å; R448-L450 PolarHBondContact O-N 3.36Å | ||
| 449 | M | 34.1 | Very low | 47.1 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | trans | -41.6 | 107 | 174.7 | -61.7 | -173.8 | 95.5 | 0 | 0 | 109 | E447 R451 | E447-M449 PolarHBondContact O-N 3.5Å; M449-R451 PolarHBondContact O-N 3.41Å; M449-R451 VanDerWaalsContact O-N 3.14Å | ||
| 450 | L | 48.2 | Very low | 47.5 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117 | -179.6 | -67 | 177.5 | 0 | 0 | 0 | 106.7 | R448 | R448-L450 PolarHBondContact O-N 3.36Š|
| 451 | R | 51.2 | Low | 47.5 | Very low | 216 Ų | 216 | 134 Ų | 134 | 82% | 0.815 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 137.9 | 168.4 | -68.5 | -72.5 | -66.5 | -175.1 | -1.1 | 107.6 | M449 S453 | M449-R451 PolarHBondContact O-N 3.41Å; M449-R451 VanDerWaalsContact O-N 3.14Å; R451-S453 PolarHBondContact O-N 2.88Å |
| 452 | P | 41.6 | Very low | 47.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 127.9 | 176.4 | -30.4 | 36.1 | 0 | 0 | 0 | 110.5 | E454 | P452-E454 PolarHBondContact O-N 2.95Š|
| 453 | S | 55.3 | Low | 48.3 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | trans | -71.7 | 104.7 | -167.2 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | R451 W455 | R451-S453 PolarHBondContact O-N 2.88Å; S453-W455 VanDerWaalsContact C-N 3.26Å; S453-W455 PolarHBondContact O-N 3.02Å | ||
| 454 | E | 50.7 | Low | 49 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 77% | 0.771 | 62% | 0.624 | S | S | * | * | trans | -70.1 | 86.8 | 165.2 | -71.7 | 172.7 | -149.6 | 0 | 0 | 108.6 | P452 N456 | P452-E454 PolarHBondContact O-N 2.95Å; E454-N456 PolarHBondContact O-N 2.77Å | ||
| 455 | W | 47.5 | Very low | 49.5 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | trans | -68.1 | 74.7 | 176 | -66.6 | 94.4 | 0 | 0 | 0 | 111 | S453 L460 P461 | S453-W455 VanDerWaalsContact C-N 3.26Å; S453-W455 PolarHBondContact O-N 3.02Å; W455-L460 HydrophobicContact CE3-CD2 4.04Å; W455-P461 HydrophobicContact CZ3-CG 4.35Å | ||
| 456 | N | 51.8 | Low | 49.9 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 57% | 0.572 | 60% | 0.597 | S | S | * | * | trans | -72.1 | 158.4 | 174 | -151 | -49.9 | 0 | 0 | 0 | 110.6 | E454 D458 T459 L460 | E454-N456 PolarHBondContact O-N 2.77Å; N456-D458 PolarHBondContact O-N 2.92Å; N456-D458 VanDerWaalsContact O-N 3.09Å; N456-T459 PolarHBondContact N-OG1 2.95Å; N456-T459 VanDerWaalsContact N-OG1 3.12Å; N456-T459 PolarHBondContact O-N 3.07Å; N456-T459 PolarHBondContact O-OG1 3.45Å; N456-T459 VanDerWaalsContact O-OG1 3.14Å; N456-L460 PolarHBondContact O-N 3.34Å | ||
| 457 | R | 53.5 | Low | 50.1 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 54% | 0.54 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56 | -33.3 | -177.3 | -168.8 | -178 | -174.7 | -147.7 | 3.1 | 112.4 | N463 Y560 | R457-N463 PolarHBondContact O-ND2 3.48Å; R457-Y560 PolarHBondContact NE-OH 2.86Å; R457-Y560 PolarHBondContact NH2-OH 2.68Å |
| 458 | D | 55.2 | Low | 50.3 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -12.6 | -178.7 | -87.5 | 33.1 | 0 | 0 | 0 | 114.5 | N456 K467 | N456-D458 PolarHBondContact O-N 2.92Å; N456-D458 VanDerWaalsContact O-N 3.09Å; D458-K467 IonicContact OD2-NZ 2.92Å; D458-K467 PolarHBondContact OD2-NZ 3.2Å |
| 459 | T | 57.9 | Low | 50.6 | Low | 81 Ų | 81 | 113.2 Ų | 113.2 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -2 | 178.1 | 36.3 | 0 | 0 | 0 | 0 | 114.1 | N456 | N456-T459 PolarHBondContact N-OG1 2.95Å; N456-T459 VanDerWaalsContact N-OG1 3.12Å; N456-T459 PolarHBondContact O-N 3.07Å; N456-T459 PolarHBondContact O-OG1 3.45Å; N456-T459 VanDerWaalsContact O-OG1 3.14Å |
| 460 | L | 58.6 | Low | 51.2 | Low | 64 Ų | 64 | 113 Ų | 113 | 34% | 0.335 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -61.4 | 129.2 | 169.1 | -73.2 | 167.6 | 0 | 0 | 0 | 111 | W455 N456 S462 N463 M464 | W455-L460 HydrophobicContact CE3-CD2 4.04Å; N456-L460 PolarHBondContact O-N 3.34Å; L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.41Å; L460-N463 HydrophobicContact CB-CB 4.4Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-M464 PolarHBondContact O-N 3.04Å |
| 461 | P | 51.6 | Low | 50.9 | Low | 67 Ų | 67 | 113.6 Ų | 113.6 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.1 | -36.1 | -179 | -30.8 | 35.6 | 0 | 0 | 0 | 114.6 | W455 N463 M464 Y465 | W455-P461 HydrophobicContact CZ3-CG 4.35Å; P461-N463 PolarHBondContact O-N 3.15Å; P461-M464 PolarHBondContact O-N 3.09Å; P461-Y465 WeakPolarHBondContact O-CD2 3.39Å; P461-Y465 PolarHBondContact O-N 3.15Å |
| 462 | S | 52.7 | Low | 50.7 | Low | 56 Ų | 56 | 110.2 Ų | 110.2 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -53.4 | -40.6 | 173.1 | 52 | 0 | 0 | 0 | 0 | 112.3 | L460 Y465 Q466 | L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.41Å; S462-Y465 PolarHBondContact O-N 3.45Å; S462-Q466 WeakPolarHBondContact O-CG 3.45Å; S462-Q466 PolarHBondContact O-N 2.9Å |
| 463 | N | 55.4 | Low | 50.6 | Low | 38 Ų | 38 | 107.6 Ų | 107.6 | 20% | 0.203 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -86.4 | -24.2 | -170.5 | -57.2 | -1 | 0 | 0 | 0 | 110.5 | R457 L460 P461 Q466 K467 | R457-N463 PolarHBondContact O-ND2 3.48Å; L460-N463 HydrophobicContact CB-CB 4.4Å; L460-N463 PolarHBondContact O-N 3.46Å; P461-N463 PolarHBondContact O-N 3.15Å; N463-Q466 PolarHBondContact O-N 2.58Å; N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.95Å |
| 464 | M | 53.3 | Low | 50.3 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -44.5 | 166.7 | -70 | -174.2 | 62.5 | 0 | 0 | 112.1 | L460 P461 K467 | L460-M464 PolarHBondContact O-N 3.04Å; P461-M464 PolarHBondContact O-N 3.09Å; M464-K467 PolarHBondContact O-N 3.48Å |
| 465 | Y | 50.9 | Low | 50.1 | Low | 153 Ų | 153 | 115.7 Ų | 115.7 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.8 | -35.1 | 177.5 | -66.8 | -70.1 | 0 | 0 | 0 | 112.6 | P461 S462 | P461-Y465 WeakPolarHBondContact O-CD2 3.39Å; P461-Y465 PolarHBondContact O-N 3.15Å; S462-Y465 PolarHBondContact O-N 3.45Å |
| 466 | Q | 49.4 | Very low | 50.1 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.2 | -31.3 | 177 | -69.6 | -179.7 | -7.9 | 0 | 0 | 113.6 | S462 N463 N468 G469 N557 | S462-Q466 WeakPolarHBondContact O-CG 3.45Å; S462-Q466 PolarHBondContact O-N 2.9Å; N463-Q466 PolarHBondContact O-N 2.58Å; Q466-N468 PolarHBondContact O-N 3.07Å; Q466-N468 VanDerWaalsContact O-N 3.07Å; Q466-G469 PolarHBondContact O-N 2.62Å; Q466-N557 PolarHBondContact NE2-OD1 3.03Å |
| 467 | K | 46.5 | Very low | 50 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -7.9 | -175.4 | -160.5 | 161.4 | -173.4 | 164.7 | 0 | 114.5 | D458 N463 M464 G469 | D458-K467 IonicContact OD2-NZ 2.92Å; D458-K467 PolarHBondContact OD2-NZ 3.2Å; N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.95Å; M464-K467 PolarHBondContact O-N 3.48Å; K467-G469 PolarHBondContact O-N 3.05Å |
| 468 | N | 45.9 | Very low | 50 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 0.4 | 172.3 | -73.8 | -9.1 | 0 | 0 | 0 | 114 | Q466 L470 | Q466-N468 PolarHBondContact O-N 3.07Å; Q466-N468 VanDerWaalsContact O-N 3.07Å; N468-L470 PolarHBondContact O-N 3.12Å |
| 469 | G | 51.2 | Low | 50 | Low | 49 Ų | 49 | 120.1 Ų | 120.1 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -70 | 110.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q466 K467 H471 | Q466-G469 PolarHBondContact O-N 2.62Å; K467-G469 PolarHBondContact O-N 3.05Å; G469-H471 PolarHBondContact O-N 3.39Å |
| 470 | L | 46.9 | Very low | 49.4 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 62.3 | -31.2 | 162.3 | -165.9 | 59.8 | 0 | 0 | 0 | 118.8 | N468 H472 | N468-L470 PolarHBondContact O-N 3.12Å; L470-H472 PolarHBondContact O-N 2.94Å |
| 471 | H | 42.3 | Very low | 49.4 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 79% | 0.787 | 66% | 0.655 | S | S | * | * | trans | -96.8 | 73 | -176.2 | -70.5 | -75.8 | 0 | 0 | 0 | 112.8 | G469 G473 | G469-H471 PolarHBondContact O-N 3.39Å; H471-G473 PolarHBondContact O-N 3.36Å | ||
| 472 | H | 46.8 | Very low | 49.4 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.667 | 68% | 0.679 | S | S | * | * | trans | -60.9 | 121.6 | 176.4 | -70 | -57 | 0 | 0 | 0 | 113.1 | L470 | L470-H472 PolarHBondContact O-N 2.94Š| ||
| 473 | G | 38.6 | Very low | 49.5 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | trans | -58.8 | 146.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | H471 Y475 | H471-G473 PolarHBondContact O-N 3.36Å; G473-Y475 PolarHBondContact O-N 2.93Å | ||
| 474 | K | 50.4 | Low | 49.6 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 87% | 0.87 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -75.4 | 21 | -165.1 | -65 | -168.7 | 176 | -177 | 0 | 116.1 | ||
| 475 | Y | 46 | Very low | 49.8 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 83% | 0.831 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -133.6 | 151 | -179.3 | -59 | -72.2 | 0 | 0 | 0 | 110.7 | G473 | G473-Y475 PolarHBondContact O-N 2.93Š|
| 476 | A | 47.3 | Very low | 50.5 | Low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | trans | 72.5 | 16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | K478 | A476-K478 PolarHBondContact O-N 3.19Š| ||
| 477 | V | 49.2 | Very low | 52 | Low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -77.1 | 67.6 | 159.6 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 478 | K | 54.3 | Low | 54 | Low | 188 Ų | 188 | 134.7 Ų | 134.7 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -141.2 | 107.1 | 174.2 | -75.5 | -170.2 | 177 | -179.3 | 0 | 111.4 | A476 S480 | A476-K478 PolarHBondContact O-N 3.19Å; K478-S480 VanDerWaalsContact C-N 3.32Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å |
| 479 | K | 53.9 | Low | 56.2 | Low | 212 Ų | 212 | 133 Ų | 133 | 92% | 0.922 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 57.9 | 20 | 165 | -63.6 | -168.4 | 175.5 | -173 | 0 | 118.5 | R481 | K479-R481 PolarHBondContact O-N 2.81Å; K479-R481 VanDerWaalsContact O-N 3.15Å |
| 480 | S | 46.2 | Very low | 58.2 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | trans | -67.9 | 111.1 | 155.2 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | K478 | K478-S480 VanDerWaalsContact C-N 3.32Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å | ||
| 481 | R | 58.6 | Low | 60.4 | Low | 215 Ų | 215 | 127 Ų | 127 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | trans | -69.7 | 134.9 | 165.9 | -58.1 | -173.3 | -168.8 | -159.7 | 5.1 | 106.4 | K479 T483 | K479-R481 PolarHBondContact O-N 2.81Å; K479-R481 VanDerWaalsContact O-N 3.15Å; R481-T483 PolarHBondContact O-N 3.47Å | ||
| 482 | R | 51.6 | Low | 62.9 | Low | 249 Ų | 249 | 119 Ų | 119 | 94% | 0.94 | 60% | 0.599 | S | S | * | * | trans | -62.9 | 101.5 | 168.4 | -93.7 | -177.6 | 162.7 | 145.2 | -5.2 | 108.7 | ||||
| 483 | T | 55.7 | Low | 65.2 | Low | 82 Ų | 82 | 117.5 Ų | 117.5 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | trans | -90.8 | 154.8 | 171.4 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | R481 V485 E486 | R481-T483 PolarHBondContact O-N 3.47Å; T483-V485 PolarHBondContact O-N 3.38Å; T483-E486 PolarHBondContact O-N 3.03Å; T483-E486 VanDerWaalsContact O-N 3.15Å | ||
| 484 | D | 55.9 | Low | 67.9 | Low | 92 Ų | 92 | 117.8 Ų | 117.8 | 49% | 0.492 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -52 | -20.3 | 178 | -172.1 | 14.6 | 0 | 0 | 0 | 112.9 | E486 D487 K494 Y546 K550 | D484-E486 VanDerWaalsContact C-N 3.3Å; D484-E486 PolarHBondContact O-N 3.25Å; D484-D487 PolarHBondContact O-N 2.99Å; D484-K494 IonicContact OD2-NZ 2.91Å; D484-Y546 PolarHBondContact O-OH 3.06Å; D484-K550 IonicContact OD1-NZ 2.86Å; D484-K550 PolarHBondContact OD1-NZ 3.43Å |
| 485 | V | 59 | Low | 70.1 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -56.2 | -37.8 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 113.3 | T483 Y546 | T483-V485 PolarHBondContact O-N 3.38Å; V485-Y546 PolarHBondContact O-OH 3.13Å |
| 486 | E | 64.1 | Low | 72.6 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -87.9 | -10.4 | -178.6 | -68.1 | -85.5 | 134.7 | 0 | 0 | 113 | T483 D484 L488 | T483-E486 PolarHBondContact O-N 3.03Å; T483-E486 VanDerWaalsContact O-N 3.15Å; D484-E486 VanDerWaalsContact C-N 3.3Å; D484-E486 PolarHBondContact O-N 3.25Å; E486-L488 PolarHBondContact O-N 2.96Å |
| 487 | D | 82.4 | Confident | 74.9 | Confident | 79 Ų | 79 | 102.6 Ų | 102.6 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | trans | -85.7 | 90.5 | -179 | -173.8 | 12.6 | 0 | 0 | 0 | 111.4 | D484 T489 K550 | D484-D487 PolarHBondContact O-N 2.99Å; D487-T489 PolarHBondContact O-N 2.95Å; D487-T489 WeakPolarHBondContact OD1-CB 3.49Å; D487-T489 PolarHBondContact OD1-N 3.34Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; D487-K550 WeakPolarHBondContact O-CE 3.26Å; D487-K550 PolarHBondContact O-NZ 2.74Å | ||
| 488 | L | 88.5 | Confident | 77.2 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 41% | 0.408 | 47% | 0.47 | S | S | . | . | trans | -74.8 | 3.5 | 176.4 | -60 | 178.4 | 0 | 0 | 0 | 113.8 | E486 P490 L553 | E486-L488 PolarHBondContact O-N 2.96Å; L488-P490 WeakPolarHBondContact O-CD 3.36Å; L488-L553 HydrophobicContact CD1-CD2 4.13Å; L488-L553 HydrophobicContact CD2-CD2 4.41Å | ||
| 489 | T | 90.8 | Very high | 79.3 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | trans | -64.5 | 121.3 | 178.4 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | D487 K550 L632 | D487-T489 PolarHBondContact O-N 2.95Å; D487-T489 WeakPolarHBondContact OD1-CB 3.49Å; D487-T489 PolarHBondContact OD1-N 3.34Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; T489-K550 VanDerWaalsContact O-CD 3.28Å; T489-K550 WeakPolarHBondContact O-CD 3.4Å; T489-L632 HydrophobicContact CG2-CD1 3.67Å | ||
| 490 | P | 93.4 | Very high | 81.4 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.032 | 42% | 0.416 | C | S | . | . | trans | -71.3 | 135.4 | 178.4 | 28.9 | -35.5 | 0 | 0 | 0 | 111.8 | L488 K550 V551 W554 L629 L632 | L488-P490 WeakPolarHBondContact O-CD 3.36Å; P490-K550 HydrophobicContact CB-CB 4.1Å; P490-V551 HydrophobicContact CB-CB 4.42Å; P490-V551 HydrophobicContact CB-CG2 3.77Å; P490-W554 HydrophobicContact CG-CB 3.87Å; P490-W554 HydrophobicContact CG-CG 3.72Å; P490-L629 HydrophobicContact CB-CD1 4.17Å; P490-L629 HydrophobicContact CG-CD1 3.99Å; P490-L632 HydrophobicContact CG-CD1 4.18Å; P490-L632 HydrophobicContact CG-CD2 4.25Å; P490-L632 WeakPolarHBondContact O-CD2 3.18Å | ||
| 491 | N | 94.1 | Very high | 83.8 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | trans | -119.6 | 90 | 173.5 | -171.2 | -27.4 | 0 | 0 | 0 | 110.8 | K493 K494 L495 | N491-K493 VanDerWaalsContact C-N 3.3Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.48Å; N491-K494 HydrophobicContact CB-CB 3.8Å; N491-K494 HydrophobicContact CB-CD 4.24Å; N491-K494 WeakPolarHBondContact O-CB 3.36Å; N491-K494 PolarHBondContact O-N 3.37Å; N491-K494 WeakPolarHBondContact OD1-CB 3.39Å; N491-K494 PolarHBondContact OD1-N 2.7Å; N491-L495 PolarHBondContact O-N 2.92Å | ||
| 492 | P | 95.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.9 | -26.8 | -175.5 | 28.4 | -35 | 0 | 0 | 0 | 112.8 | L495 L496 V616 T620 L629 | P492-L495 PolarHBondContact O-N 3.23Å; P492-L496 WeakPolarHBondContact O-CB 3.27Å; P492-L496 PolarHBondContact O-N 3.49Å; P492-V616 HydrophobicContact CB-CG1 3.76Å; P492-V616 HydrophobicContact CG-CG1 4.48Å; P492-T620 HydrophobicContact CB-CG2 4.49Å; P492-L629 HydrophobicContact CG-CD1 4.19Å |
| 493 | K | 94.9 | Very high | 87.9 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 170.3 | -70.4 | -167.4 | 178.9 | -170.3 | 0 | 112 | N491 L495 L496 Q497 T620 P625 | N491-K493 VanDerWaalsContact C-N 3.3Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.48Å; K493-L495 VanDerWaalsContact C-N 3.32Å; K493-L495 PolarHBondContact O-N 3.31Å; K493-L496 PolarHBondContact O-N 3.19Å; K493-Q497 WeakPolarHBondContact O-CB 3.26Å; K493-Q497 PolarHBondContact O-N 3.32Å; K493-T620 HydrophobicContact CG-CG2 3.97Å; K493-P625 VanDerWaalsContact CE-CA 3.44Å; K493-P625 VanDerWaalsContact CE-CB 3.41Å |
| 494 | K | 95.1 | Very high | 89.9 | Confident | 64 Ų | 64 | 71 Ų | 71 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.2 | -177.1 | -179.2 | 177 | -167.6 | 0 | 110.3 | D484 N491 Q497 I498 E547 | D484-K494 IonicContact OD2-NZ 2.91Å; N491-K494 HydrophobicContact CB-CB 3.8Å; N491-K494 HydrophobicContact CB-CD 4.24Å; N491-K494 WeakPolarHBondContact O-CB 3.36Å; N491-K494 PolarHBondContact O-N 3.37Å; N491-K494 WeakPolarHBondContact OD1-CB 3.39Å; N491-K494 PolarHBondContact OD1-N 2.7Å; K494-Q497 PolarHBondContact O-N 2.9Å; K494-I498 HydrophobicContact CG-CD1 4.03Å; K494-I498 WeakPolarHBondContact O-CD1 3.38Å; K494-I498 WeakPolarHBondContact O-CG1 3.23Å; K494-I498 PolarHBondContact O-N 2.93Å; K494-E547 HydrophobicContact CD-CG 4.03Å; K494-E547 VanDerWaalsContact CE-OE1 3.25Å; K494-E547 WeakPolarHBondContact CE-OE1 3.37Å; K494-E547 HydrophobicContact CG-CG 4.24Å; K494-E547 IonicContact NZ-OE1 3.97Å; K494-E547 PolarHBondContact NZ-OE1 3.15Å |
| 495 | L | 97 | Very high | 91.8 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 175 | -176.6 | 59.6 | 0 | 0 | 0 | 112.5 | N491 P492 K493 Q497 I498 G499 A544 E547 A548 V551 V613 L617 | N491-L495 PolarHBondContact O-N 2.92Å; P492-L495 PolarHBondContact O-N 3.23Å; K493-L495 VanDerWaalsContact C-N 3.32Å; K493-L495 PolarHBondContact O-N 3.31Å; L495-Q497 PolarHBondContact O-N 3.26Å; L495-I498 PolarHBondContact O-N 3.35Å; L495-G499 PolarHBondContact O-N 3.31Å; L495-A544 HydrophobicContact CD1-CB 4Å; L495-A544 WeakPolarHBondContact CD1-O 3.46Å; L495-E547 HydrophobicContact CB-CB 4.15Å; L495-E547 HydrophobicContact CD1-CB 4.12Å; L495-A548 HydrophobicContact CD1-CB 4.1Å; L495-A548 HydrophobicContact CD2-CB 3.95Å; L495-V551 HydrophobicContact CD2-CG2 4.34Å; L495-V613 HydrophobicContact CD2-CG1 3.89Å; L495-L617 HydrophobicContact CB-CD2 4.14Å; L495-L617 HydrophobicContact CD2-CD1 4.06Å; L495-L617 HydrophobicContact CD2-CD2 4.01Å; L495-L617 HydrophobicContact CD2-CG 4.21Å; L495-L617 HydrophobicContact CG-CD1 4.23Å; L495-L617 HydrophobicContact CG-CD2 3.89Å; L495-L617 HydrophobicContact CG-CG 4.5Å |
| 496 | L | 96.7 | Very high | 93.6 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.2 | -176.3 | 61.5 | 0 | 0 | 0 | 111.9 | P492 K493 G499 N500 L617 T620 A621 | P492-L496 WeakPolarHBondContact O-CB 3.27Å; P492-L496 PolarHBondContact O-N 3.49Å; K493-L496 PolarHBondContact O-N 3.19Å; L496-G499 PolarHBondContact O-N 2.77Å; L496-N500 PolarHBondContact O-N 3.47Å; L496-N500 PolarHBondContact O-ND2 3.31Å; L496-L617 HydrophobicContact CB-CD2 3.73Å; L496-L617 HydrophobicContact CD1-CD2 4.24Å; L496-T620 HydrophobicContact CB-CG2 4.4Å; L496-T620 HydrophobicContact CD2-CG2 3.82Å; L496-A621 HydrophobicContact CD2-CB 4.12Å |
| 497 | Q | 97.3 | Very high | 95.2 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 177.2 | -173.6 | 177.6 | 4.4 | 0 | 0 | 111.9 | K493 K494 L495 G499 N500 E501 | K493-Q497 WeakPolarHBondContact O-CB 3.26Å; K493-Q497 PolarHBondContact O-N 3.32Å; K494-Q497 PolarHBondContact O-N 2.9Å; L495-Q497 PolarHBondContact O-N 3.26Å; Q497-G499 VanDerWaalsContact C-N 3.34Å; Q497-G499 PolarHBondContact O-N 3.18Å; Q497-N500 PolarHBondContact O-N 3.45Å; Q497-E501 PolarHBondContact O-N 3.39Å |
| 498 | I | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.4 | -63.6 | 161 | 0 | 0 | 0 | 110.5 | K494 L495 N500 E501 L502 L540 K543 A544 | K494-I498 HydrophobicContact CG-CD1 4.03Å; K494-I498 WeakPolarHBondContact O-CD1 3.38Å; K494-I498 WeakPolarHBondContact O-CG1 3.23Å; K494-I498 PolarHBondContact O-N 2.93Å; L495-I498 PolarHBondContact O-N 3.35Å; I498-N500 VanDerWaalsContact C-N 3.31Å; I498-N500 PolarHBondContact O-N 3.48Å; I498-E501 PolarHBondContact O-N 3.19Å; I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 HydrophobicContact CG2-CG 4.43Å; I498-L502 WeakPolarHBondContact O-CB 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; I498-L502 PolarHBondContact O-N 3.41Å; I498-L540 HydrophobicContact CG2-CB 4.07Å; I498-L540 HydrophobicContact CG2-CD2 4.06Å; I498-L540 WeakPolarHBondContact CG2-O 3.43Å; I498-K543 HydrophobicContact CD1-CB 4.06Å; I498-A544 HydrophobicContact CG2-CB 3.8Å |
| 499 | G | 97.2 | Very high | 96.2 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | L495 L496 Q497 R503 | L495-G499 PolarHBondContact O-N 3.31Å; L496-G499 PolarHBondContact O-N 2.77Å; Q497-G499 VanDerWaalsContact C-N 3.34Å; Q497-G499 PolarHBondContact O-N 3.18Å; G499-R503 WeakPolarHBondContact O-CG 3.13Å; G499-R503 PolarHBondContact O-N 3.01Å |
| 500 | N | 97.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 175.1 | -68.4 | -20.6 | 0 | 0 | 0 | 112.3 | L496 Q497 I498 R503 K504 | L496-N500 PolarHBondContact O-N 3.47Å; L496-N500 PolarHBondContact O-ND2 3.31Å; Q497-N500 PolarHBondContact O-N 3.45Å; I498-N500 VanDerWaalsContact C-N 3.31Å; I498-N500 PolarHBondContact O-N 3.48Å; N500-R503 PolarHBondContact O-N 3.4Å; N500-R503 PolarHBondContact OD1-NH2 3.12Å; N500-K504 WeakPolarHBondContact O-CG 3.25Å; N500-K504 PolarHBondContact O-N 2.8Å; N500-K504 VanDerWaalsContact O-N 3.09Å |
| 501 | E | 97.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 173.8 | -166.9 | -176.7 | 168.6 | 0 | 0 | 111.7 | Q497 I498 R503 K504 L505 R536 L540 | Q497-E501 PolarHBondContact O-N 3.39Å; I498-E501 PolarHBondContact O-N 3.19Å; E501-R503 PolarHBondContact O-N 3.14Å; E501-K504 PolarHBondContact O-N 3.22Å; E501-L505 HydrophobicContact CG-CD1 4.23Å; E501-L505 WeakPolarHBondContact O-CG 3.21Å; E501-L505 PolarHBondContact O-N 3.17Å; E501-R536 IonicContact OE1-CZ 2.58Å; E501-R536 IonicContact OE1-NE 3.48Å; E501-R536 PolarHBondContact OE1-NE 3.1Å; E501-R536 IonicContact OE1-NH2 2.62Å; E501-R536 PolarHBondContact OE1-NH2 3.37Å; E501-L540 HydrophobicContact CB-CD1 4.44Å; E501-L540 HydrophobicContact CG-CD1 3.83Å; E501-L540 WeakPolarHBondContact OE1-CD1 3.27Å; E501-L540 WeakPolarHBondContact OE2-CD2 3.46Å |
| 502 | L | 97.9 | Very high | 96.4 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.1 | -78.5 | 168.1 | 0 | 0 | 0 | 112.2 | I498 K504 L505 N506 A537 L540 K541 A544 | I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 HydrophobicContact CG2-CG 4.43Å; I498-L502 WeakPolarHBondContact O-CB 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; I498-L502 PolarHBondContact O-N 3.41Å; L502-K504 PolarHBondContact O-N 3.41Å; L502-L505 PolarHBondContact O-N 2.92Å; L502-N506 WeakPolarHBondContact O-CB 3.48Å; L502-N506 VanDerWaalsContact O-CG 3.22Å; L502-N506 PolarHBondContact O-N 2.88Å; L502-A537 HydrophobicContact CD2-CB 4.32Å; L502-A537 VanDerWaalsContact CD2-O 3.32Å; L502-A537 WeakPolarHBondContact CD2-O 3.47Å; L502-L540 HydrophobicContact CD1-CB 4.48Å; L502-L540 HydrophobicContact CD2-CB 3.68Å; L502-L540 HydrophobicContact CG-CB 3.94Å; L502-K541 HydrophobicContact CD2-CB 4.44Å; L502-A544 HydrophobicContact CD1-CB 4.06Å |
| 503 | R | 97.1 | Very high | 96.1 | Very high | 173 Ų | 173 | 71.9 Ų | 71.9 | 65% | 0.653 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 174.4 | -74.3 | -167.6 | -69.9 | 169.9 | -4.6 | 112.1 | G499 N500 E501 K507 | G499-R503 WeakPolarHBondContact O-CG 3.13Å; G499-R503 PolarHBondContact O-N 3.01Å; N500-R503 PolarHBondContact O-N 3.4Å; N500-R503 PolarHBondContact OD1-NH2 3.12Å; E501-R503 PolarHBondContact O-N 3.14Å; R503-K507 WeakPolarHBondContact O-CB 3.1Å; R503-K507 PolarHBondContact O-N 3.2Å |
| 504 | K | 97.9 | Very high | 95.8 | Very high | 156 Ų | 156 | 68.9 Ų | 68.9 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 175.2 | -71.6 | -179.8 | 178.8 | -171.7 | 0 | 112 | N500 E501 L502 K507 V508 | N500-K504 WeakPolarHBondContact O-CG 3.25Å; N500-K504 PolarHBondContact O-N 2.8Å; N500-K504 VanDerWaalsContact O-N 3.09Å; E501-K504 PolarHBondContact O-N 3.22Å; L502-K504 PolarHBondContact O-N 3.41Å; K504-K507 PolarHBondContact O-N 3.05Å; K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 3.17Å |
| 505 | L | 97.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | -179.7 | -69.3 | 169.4 | 0 | 0 | 0 | 112.5 | E501 L502 K507 V508 I509 L533 R536 A537 L540 | E501-L505 HydrophobicContact CG-CD1 4.23Å; E501-L505 WeakPolarHBondContact O-CG 3.21Å; E501-L505 PolarHBondContact O-N 3.17Å; L502-L505 PolarHBondContact O-N 2.92Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.13Å; L505-V508 PolarHBondContact O-N 2.84Å; L505-I509 WeakPolarHBondContact O-CB 3.27Å; L505-I509 WeakPolarHBondContact O-CD1 3.41Å; L505-I509 WeakPolarHBondContact O-CG1 3.18Å; L505-I509 PolarHBondContact O-N 3.3Å; L505-L533 HydrophobicContact CD2-CD2 3.93Å; L505-R536 HydrophobicContact CD1-CB 4.25Å; L505-R536 HydrophobicContact CD1-CG 3.7Å; L505-A537 HydrophobicContact CB-CB 4.38Å; L505-A537 HydrophobicContact CD1-CB 4.4Å; L505-L540 HydrophobicContact CD1-CD1 3.33Å |
| 506 | N | 96.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.5 | -71.3 | -10.7 | 0 | 0 | 0 | 111 | L502 I509 S510 | L502-N506 WeakPolarHBondContact O-CB 3.48Å; L502-N506 VanDerWaalsContact O-CG 3.22Å; L502-N506 PolarHBondContact O-N 2.88Å; N506-I509 PolarHBondContact O-N 2.65Å; N506-S510 WeakPolarHBondContact O-CB 3.28Å; N506-S510 PolarHBondContact O-N 3.41Å; N506-S510 VanDerWaalsContact O-N 3.09Å; N506-S510 PolarHBondContact O-OG 2.89Å |
| 507 | K | 97.3 | Very high | 94.5 | Very high | 132 Ų | 132 | 75.7 Ų | 75.7 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.1 | -56 | 171.3 | 175.4 | 167.1 | 177.3 | 175 | 0 | 111.3 | R503 K504 L505 I509 S510 D511 | R503-K507 WeakPolarHBondContact O-CB 3.1Å; R503-K507 PolarHBondContact O-N 3.2Å; K504-K507 PolarHBondContact O-N 3.05Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.13Å; K507-I509 VanDerWaalsContact C-N 3.28Å; K507-I509 PolarHBondContact O-N 2.91Å; K507-S510 CarbonylContact O-C 3.58Å; K507-S510 WeakPolarHBondContact O-CA 3.46Å; K507-S510 WeakPolarHBondContact O-CB 3.49Å; K507-S510 PolarHBondContact O-N 2.97Å; K507-D511 WeakPolarHBondContact CE-OD2 3.46Å; K507-D511 WeakPolarHBondContact CG-OD2 3.4Å; K507-D511 IonicContact NZ-OD2 3.74Å; K507-D511 VanDerWaalsContact O-CG 3.24Å; K507-D511 PolarHBondContact O-N 3.02Å |
| 508 | V | 96.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | -179.2 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | K504 L505 S510 D511 L512 L533 | K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 3.17Å; L505-V508 PolarHBondContact O-N 2.84Å; V508-S510 VanDerWaalsContact C-N 3.28Å; V508-S510 PolarHBondContact O-N 3.12Å; V508-D511 PolarHBondContact O-N 2.89Å; V508-L512 VanDerWaalsContact O-CG 3.31Å; V508-L512 WeakPolarHBondContact O-CG 3.25Å; V508-L512 PolarHBondContact O-N 3.47Å; V508-L512 VanDerWaalsContact O-N 3.09Å; V508-L533 HydrophobicContact CB-CD1 4.44Å; V508-L533 HydrophobicContact CG1-CD1 3.69Å |
| 509 | I | 95.2 | Very high | 93.7 | Very high | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.9 | -29.4 | 176.6 | -68.5 | 163.6 | 0 | 0 | 0 | 112.5 | L505 N506 K507 K530 L533 A537 | L505-I509 WeakPolarHBondContact O-CB 3.27Å; L505-I509 WeakPolarHBondContact O-CD1 3.41Å; L505-I509 WeakPolarHBondContact O-CG1 3.18Å; L505-I509 PolarHBondContact O-N 3.3Å; N506-I509 PolarHBondContact O-N 2.65Å; K507-I509 VanDerWaalsContact C-N 3.28Å; K507-I509 PolarHBondContact O-N 2.91Å; I509-K530 HydrophobicContact CG2-CG 4.47Å; I509-K530 PolarHBondContact O-NZ 3.08Å; I509-L533 HydrophobicContact CD1-CB 3.89Å; I509-L533 HydrophobicContact CG1-CB 3.61Å; I509-L533 HydrophobicContact CG1-CD1 4.19Å; I509-A537 HydrophobicContact CD1-CB 4.23Å |
| 510 | S | 94.6 | Very high | 93.3 | Very high | 97 Ų | 97 | 77.9 Ų | 77.9 | 68% | 0.678 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -83.5 | -36.1 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | N506 K507 V508 L512 | N506-S510 WeakPolarHBondContact O-CB 3.28Å; N506-S510 PolarHBondContact O-N 3.41Å; N506-S510 VanDerWaalsContact O-N 3.09Å; N506-S510 PolarHBondContact O-OG 2.89Å; K507-S510 CarbonylContact O-C 3.58Å; K507-S510 WeakPolarHBondContact O-CA 3.46Å; K507-S510 WeakPolarHBondContact O-CB 3.49Å; K507-S510 PolarHBondContact O-N 2.97Å; V508-S510 VanDerWaalsContact C-N 3.28Å; V508-S510 PolarHBondContact O-N 3.12Å; S510-L512 VanDerWaalsContact C-N 3.31Å |
| 511 | D | 95.3 | Very high | 92.9 | Very high | 104 Ų | 104 | 81.3 Ų | 81.3 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72.6 | -24.6 | 179.5 | -65.3 | -7 | 0 | 0 | 0 | 111.8 | K507 V508 T513 | K507-D511 WeakPolarHBondContact CE-OD2 3.46Å; K507-D511 WeakPolarHBondContact CG-OD2 3.4Å; K507-D511 IonicContact NZ-OD2 3.74Å; K507-D511 VanDerWaalsContact O-CG 3.24Å; K507-D511 PolarHBondContact O-N 3.02Å; V508-D511 PolarHBondContact O-N 2.89Å; D511-T513 PolarHBondContact O-N 3.42Å |
| 512 | L | 92.6 | Very high | 92.6 | Very high | 40 Ų | 40 | 80.4 Ų | 80.4 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -65.7 | 119.2 | 173.5 | -82.8 | 174.5 | 0 | 0 | 0 | 112.5 | V508 S510 E529 K530 L533 | V508-L512 VanDerWaalsContact O-CG 3.31Å; V508-L512 WeakPolarHBondContact O-CG 3.25Å; V508-L512 PolarHBondContact O-N 3.47Å; V508-L512 VanDerWaalsContact O-N 3.09Å; S510-L512 VanDerWaalsContact C-N 3.31Å; L512-E529 HydrophobicContact CD1-CG 4.47Å; L512-K530 HydrophobicContact CD1-CB 4.5Å; L512-L533 HydrophobicContact CD1-CD1 3.72Å |
| 513 | T | 87.8 | Confident | 92.2 | Very high | 69 Ų | 69 | 83.3 Ų | 83.3 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | -43.9 | 130.5 | 174.7 | -45.5 | 0 | 0 | 0 | 0 | 111.8 | D511 E517 L518 | D511-T513 PolarHBondContact O-N 3.42Å; T513-E517 HydrophobicContact CG2-CB 4.13Å; T513-L518 HydrophobicContact CG2-CD2 3.8Å; T513-L518 HydrophobicContact CG2-CG 3.93Å | ||
| 514 | P | 88.3 | Confident | 92 | Very high | 51 Ų | 51 | 79.2 Ų | 79.2 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | trans | -65.6 | 144.5 | -177.9 | 29.5 | -36.4 | 0 | 0 | 0 | 111.1 | S516 E517 | P514-S516 PolarHBondContact O-N 3.42Å; P514-E517 HydrophobicContact CG-CB 4.28Å; P514-E517 HydrophobicContact CG-CG 4.12Å; P514-E517 WeakPolarHBondContact CG-OE1 3.42Å; P514-E517 WeakPolarHBondContact CG-OE2 3.14Å; P514-E517 PolarHBondContact O-N 3.02Å | ||
| 515 | V | 86.6 | Confident | 91.7 | Very high | 34 Ų | 34 | 81.9 Ų | 81.9 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.3 | -171.3 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | R523 | V515-R523 HydrophobicContact CG1-CB 3.8Å; V515-R523 HydrophobicContact CG1-CG 3.87Å; V515-R523 WeakPolarHBondContact O-CD 3.29Å; V515-R523 WeakPolarHBondContact O-CG 3.5Å; V515-R523 PolarHBondContact O-NE 2.98Å; V515-R523 VanDerWaalsContact O-NE 3.08Å |
| 516 | S | 86.5 | Confident | 91.5 | Very high | 81 Ų | 81 | 81.8 Ų | 81.8 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -41.2 | 170.1 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | P514 R523 | P514-S516 PolarHBondContact O-N 3.42Å; S516-R523 PolarHBondContact O-NH2 3.06Å |
| 517 | E | 88.6 | Confident | 91.4 | Very high | 139 Ų | 139 | 85 Ų | 85 | 65% | 0.65 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13.7 | -171.7 | -72.6 | 156.8 | -143.4 | 0 | 0 | 113 | T513 P514 | T513-E517 HydrophobicContact CG2-CB 4.13Å; P514-E517 HydrophobicContact CG-CB 4.28Å; P514-E517 HydrophobicContact CG-CG 4.12Å; P514-E517 WeakPolarHBondContact CG-OE1 3.42Å; P514-E517 WeakPolarHBondContact CG-OE2 3.14Å; P514-E517 PolarHBondContact O-N 3.02Å |
| 518 | L | 89.1 | Confident | 91.3 | Very high | 35 Ų | 35 | 86.9 Ų | 86.9 | 18% | 0.183 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -80 | 145.5 | 179.3 | -70.2 | 173.3 | 0 | 0 | 0 | 112.7 | T513 R523 S526 | T513-L518 HydrophobicContact CG2-CD2 3.8Å; T513-L518 HydrophobicContact CG2-CG 3.93Å; L518-R523 HydrophobicContact CB-CG 4.16Å; L518-R523 WeakPolarHBondContact O-CG 3.42Å; L518-R523 PolarHBondContact O-NE 3Å; L518-S526 VanDerWaalsContact CD1-OG 3.3Å; L518-S526 WeakPolarHBondContact CD1-OG 3.18Å |
| 519 | P | 89.3 | Confident | 91.2 | Very high | 85 Ų | 85 | 88.5 Ų | 88.5 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | trans | -55.5 | 146.4 | 171.2 | -25.2 | 34.2 | 0 | 0 | 0 | 112.6 | T521 A522 R523 | P519-T521 PolarHBondContact O-N 3.2Å; P519-T521 VanDerWaalsContact O-N 3.11Å; P519-A522 WeakPolarHBondContact O-CA 3.34Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 3.14Å; P519-R523 WeakPolarHBondContact O-CG 3.47Å; P519-R523 PolarHBondContact O-N 3.15Å; P519-R523 VanDerWaalsContact O-N 3.13Å | ||
| 520 | L | 88 | Confident | 91.2 | Very high | 110 Ų | 110 | 90.1 Ų | 90.1 | 58% | 0.576 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -43 | -174.6 | -66.3 | 174.7 | 0 | 0 | 0 | 113.2 | A522 R523 P524 | L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.49Å; L520-R523 VanDerWaalsContact CD2-NH1 3.32Å; L520-R523 PolarHBondContact O-N 3.13Å; L520-P524 VanDerWaalsContact O-CD 3.25Å; L520-P524 WeakPolarHBondContact O-CD 3.46Å |
| 521 | T | 90.2 | Very high | 91.3 | Very high | 130 Ų | 130 | 90.1 Ų | 90.1 | 80% | 0.798 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | P519 | P519-T521 PolarHBondContact O-N 3.2Å; P519-T521 VanDerWaalsContact O-N 3.11Å |
| 522 | A | 90.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 93.1 Ų | 93.1 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -26 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P519 L520 R525 S526 | P519-A522 WeakPolarHBondContact O-CA 3.34Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 3.14Å; L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.49Å; A522-R525 PolarHBondContact O-N 3.42Å; A522-R525 VanDerWaalsContact O-N 3.12Å; A522-S526 PolarHBondContact O-N 3.05Å; A522-S526 VanDerWaalsContact O-N 3.11Å |
| 523 | R | 91.4 | Very high | 91.6 | Very high | 88 Ų | 88 | 92.4 Ų | 92.4 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -52 | -42.6 | -178.2 | -67.9 | -178.3 | -178.1 | 179.6 | -6.7 | 113.8 | V515 S516 L518 P519 L520 R527 | V515-R523 HydrophobicContact CG1-CB 3.8Å; V515-R523 HydrophobicContact CG1-CG 3.87Å; V515-R523 WeakPolarHBondContact O-CD 3.29Å; V515-R523 WeakPolarHBondContact O-CG 3.5Å; V515-R523 PolarHBondContact O-NE 2.98Å; V515-R523 VanDerWaalsContact O-NE 3.08Å; S516-R523 PolarHBondContact O-NH2 3.06Å; L518-R523 HydrophobicContact CB-CG 4.16Å; L518-R523 WeakPolarHBondContact O-CG 3.42Å; L518-R523 PolarHBondContact O-NE 3Å; P519-R523 WeakPolarHBondContact O-CG 3.47Å; P519-R523 PolarHBondContact O-N 3.15Å; P519-R523 VanDerWaalsContact O-N 3.13Å; L520-R523 VanDerWaalsContact CD2-NH1 3.32Å; L520-R523 PolarHBondContact O-N 3.13Å; R523-R527 VanDerWaalsContact O-CB 3.28Å; R523-R527 WeakPolarHBondContact O-CB 3.35Å; R523-R527 PolarHBondContact O-N 3.16Å |
| 524 | P | 92 | Very high | 92.1 | Very high | 87 Ų | 87 | 91.2 Ų | 91.2 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 178.2 | -23.9 | 34.8 | 0 | 0 | 0 | 113.6 | L520 K528 | L520-P524 VanDerWaalsContact O-CD 3.25Å; L520-P524 WeakPolarHBondContact O-CD 3.46Å; P524-K528 WeakPolarHBondContact O-CB 3.23Å; P524-K528 PolarHBondContact O-N 2.77Å |
| 525 | R | 91.1 | Very high | 92.5 | Very high | 211 Ų | 211 | 91.9 Ų | 91.9 | 80% | 0.796 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67 | -50.4 | 178.5 | -73.1 | -168.5 | 176 | -142.9 | 1.7 | 111 | A522 R527 K528 E529 | A522-R525 PolarHBondContact O-N 3.42Å; A522-R525 VanDerWaalsContact O-N 3.12Å; R525-R527 VanDerWaalsContact C-N 3.35Å; R525-R527 PolarHBondContact O-N 2.69Å; R525-K528 PolarHBondContact O-N 3.43Å; R525-K528 VanDerWaalsContact O-N 3.14Å; R525-E529 PolarHBondContact O-N 3.4Å |
| 526 | S | 93.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 96.6 Ų | 96.6 | 8% | 0.077 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.3 | 168.6 | 0 | 0 | 0 | 0 | 112.2 | L518 A522 K528 E529 K530 | L518-S526 VanDerWaalsContact CD1-OG 3.3Å; L518-S526 WeakPolarHBondContact CD1-OG 3.18Å; A522-S526 PolarHBondContact O-N 3.05Å; A522-S526 VanDerWaalsContact O-N 3.11Å; S526-K528 PolarHBondContact O-N 3.49Å; S526-E529 PolarHBondContact O-N 3.03Å; S526-K530 WeakPolarHBondContact O-CB 3.4Å; S526-K530 PolarHBondContact O-N 3.2Å |
| 527 | R | 94.8 | Very high | 93.6 | Very high | 154 Ų | 154 | 93.2 Ų | 93.2 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 175.3 | -172.5 | -178.3 | -71 | 173.3 | -2.1 | 112.1 | R523 R525 N531 | R523-R527 VanDerWaalsContact O-CB 3.28Å; R523-R527 WeakPolarHBondContact O-CB 3.35Å; R523-R527 PolarHBondContact O-N 3.16Å; R525-R527 VanDerWaalsContact C-N 3.35Å; R525-R527 PolarHBondContact O-N 2.69Å; R527-N531 VanDerWaalsContact O-CB 3.31Å; R527-N531 WeakPolarHBondContact O-CB 3.33Å; R527-N531 PolarHBondContact O-N 3.48Å; R527-N531 VanDerWaalsContact O-N 3.08Å |
| 528 | K | 95.1 | Very high | 94.1 | Very high | 171 Ų | 171 | 90.8 Ų | 90.8 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 177.1 | -172.3 | 176 | -178.5 | 178.5 | 0 | 111.6 | P524 R525 S526 K532 | P524-K528 WeakPolarHBondContact O-CB 3.23Å; P524-K528 PolarHBondContact O-N 2.77Å; R525-K528 PolarHBondContact O-N 3.43Å; R525-K528 VanDerWaalsContact O-N 3.14Å; S526-K528 PolarHBondContact O-N 3.49Å; K528-K532 PolarHBondContact O-N 2.92Å |
| 529 | E | 95.5 | Very high | 94.5 | Very high | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.5 | -49.3 | 178.3 | -176.8 | 171.4 | -171.5 | 0 | 0 | 112.7 | L512 R525 S526 N531 K532 L533 | L512-E529 HydrophobicContact CD1-CG 4.47Å; R525-E529 PolarHBondContact O-N 3.4Å; S526-E529 PolarHBondContact O-N 3.03Å; E529-N531 PolarHBondContact O-N 3.21Å; E529-K532 WeakPolarHBondContact O-CA 3.28Å; E529-K532 WeakPolarHBondContact O-CB 3.35Å; E529-K532 PolarHBondContact O-N 3.43Å; E529-L533 HydrophobicContact CG-CD1 4.3Å; E529-L533 PolarHBondContact O-N 3.46Å |
| 530 | K | 94.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 94.8 Ų | 94.8 | 27% | 0.274 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.1 | -38 | 177.5 | -166.6 | 166 | -177.2 | 117.7 | 0 | 111.3 | I509 L512 S526 A534 | I509-K530 HydrophobicContact CG2-CG 4.47Å; I509-K530 PolarHBondContact O-NZ 3.08Å; L512-K530 HydrophobicContact CD1-CB 4.5Å; S526-K530 WeakPolarHBondContact O-CB 3.4Å; S526-K530 PolarHBondContact O-N 3.2Å; K530-A534 VanDerWaalsContact O-CB 3.22Å; K530-A534 WeakPolarHBondContact O-CB 3.44Å; K530-A534 PolarHBondContact O-N 3.29Å |
| 531 | N | 96.5 | Very high | 95.4 | Very high | 98 Ų | 98 | 96.6 Ų | 96.6 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 172.6 | -74.2 | -5 | 0 | 0 | 0 | 113.3 | R527 E529 S535 | R527-N531 VanDerWaalsContact O-CB 3.31Å; R527-N531 WeakPolarHBondContact O-CB 3.33Å; R527-N531 PolarHBondContact O-N 3.48Å; R527-N531 VanDerWaalsContact O-N 3.08Å; E529-N531 PolarHBondContact O-N 3.21Å; N531-S535 VanDerWaalsContact O-CB 3.24Å; N531-S535 WeakPolarHBondContact O-CB 3.39Å; N531-S535 PolarHBondContact O-N 2.94Å; N531-S535 PolarHBondContact O-OG 3.42Å |
| 532 | K | 97.1 | Very high | 95.7 | Very high | 167 Ų | 167 | 98.1 Ų | 98.1 | 73% | 0.726 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 173.9 | -174.5 | -178.1 | -179.8 | -177.2 | 0 | 110.9 | K528 E529 R536 | K528-K532 PolarHBondContact O-N 2.92Å; E529-K532 WeakPolarHBondContact O-CA 3.28Å; E529-K532 WeakPolarHBondContact O-CB 3.35Å; E529-K532 PolarHBondContact O-N 3.43Å; K532-R536 PolarHBondContact O-N 2.86Å; K532-R536 VanDerWaalsContact O-N 3.11Å |
| 533 | L | 97.4 | Very high | 96 | Very high | 25 Ų | 25 | 102.5 Ų | 102.5 | 13% | 0.131 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 179 | -64.3 | 175.4 | 0 | 0 | 0 | 112.2 | L505 V508 I509 L512 E529 S535 R536 A537 | L505-L533 HydrophobicContact CD2-CD2 3.93Å; V508-L533 HydrophobicContact CB-CD1 4.44Å; V508-L533 HydrophobicContact CG1-CD1 3.69Å; I509-L533 HydrophobicContact CD1-CB 3.89Å; I509-L533 HydrophobicContact CG1-CB 3.61Å; I509-L533 HydrophobicContact CG1-CD1 4.19Å; L512-L533 HydrophobicContact CD1-CD1 3.72Å; E529-L533 HydrophobicContact CG-CD1 4.3Å; E529-L533 PolarHBondContact O-N 3.46Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 3.5Å; L533-R536 WeakPolarHBondContact O-CB 3.29Å; L533-R536 PolarHBondContact O-N 3.43Å; L533-R536 VanDerWaalsContact O-N 3.13Å; L533-A537 PolarHBondContact O-N 3.22Å |
| 534 | A | 97.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 99 Ų | 99 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K530 A537 C538 | K530-A534 VanDerWaalsContact O-CB 3.22Å; K530-A534 WeakPolarHBondContact O-CB 3.44Å; K530-A534 PolarHBondContact O-N 3.29Å; A534-A537 PolarHBondContact O-N 2.91Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.29Å |
| 535 | S | 97.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 100.7 Ų | 100.7 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | N531 L533 R539 | N531-S535 VanDerWaalsContact O-CB 3.24Å; N531-S535 WeakPolarHBondContact O-CB 3.39Å; N531-S535 PolarHBondContact O-N 2.94Å; N531-S535 PolarHBondContact O-OG 3.42Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 3.5Å; S535-R539 WeakPolarHBondContact O-CG 3.41Å; S535-R539 PolarHBondContact O-N 3.44Å; S535-R539 VanDerWaalsContact O-N 3.09Å |
| 536 | R | 98.2 | Very high | 96.7 | Very high | 133 Ų | 133 | 94.7 Ų | 94.7 | 50% | 0.502 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 173.9 | -175.1 | -179.2 | 174.2 | 162.6 | 3.5 | 111 | E501 L505 K532 L533 C538 R539 L540 | E501-R536 IonicContact OE1-CZ 2.58Å; E501-R536 IonicContact OE1-NE 3.48Å; E501-R536 PolarHBondContact OE1-NE 3.1Å; E501-R536 IonicContact OE1-NH2 2.62Å; E501-R536 PolarHBondContact OE1-NH2 3.37Å; L505-R536 HydrophobicContact CD1-CB 4.25Å; L505-R536 HydrophobicContact CD1-CG 3.7Å; K532-R536 PolarHBondContact O-N 2.86Å; K532-R536 VanDerWaalsContact O-N 3.11Å; L533-R536 WeakPolarHBondContact O-CB 3.29Å; L533-R536 PolarHBondContact O-N 3.43Å; L533-R536 VanDerWaalsContact O-N 3.13Å; R536-C538 PolarHBondContact O-N 3.39Å; R536-R539 PolarHBondContact O-N 3.41Å; R536-L540 HydrophobicContact CG-CD1 3.86Å; R536-L540 WeakPolarHBondContact O-CG 3.12Å; R536-L540 PolarHBondContact O-N 3.01Å |
| 537 | A | 98.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 94.3 Ų | 94.3 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L502 L505 I509 L533 A534 L540 K541 | L502-A537 HydrophobicContact CD2-CB 4.32Å; L502-A537 VanDerWaalsContact CD2-O 3.32Å; L502-A537 WeakPolarHBondContact CD2-O 3.47Å; L505-A537 HydrophobicContact CB-CB 4.38Å; L505-A537 HydrophobicContact CD1-CB 4.4Å; I509-A537 HydrophobicContact CD1-CB 4.23Å; L533-A537 PolarHBondContact O-N 3.22Å; A534-A537 PolarHBondContact O-N 2.91Å; A537-L540 PolarHBondContact O-N 3.5Å; A537-K541 WeakPolarHBondContact O-CB 3.09Å; A537-K541 PolarHBondContact O-N 3.47Å |
| 538 | C | 98 | Very high | 96.9 | Very high | 89 Ų | 89 | 87.8 Ų | 87.8 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | A534 R536 L540 K541 K542 | A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.29Å; R536-C538 PolarHBondContact O-N 3.39Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.95Å; C538-K541 PolarHBondContact O-N 3.28Å; C538-K542 PolarHBondContact O-N 3.32Å; C538-K542 VanDerWaalsContact O-N 3.12Å |
| 539 | R | 98.1 | Very high | 97 | Very high | 190 Ų | 190 | 83.5 Ų | 83.5 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 175.9 | -71.2 | 174.6 | -176.9 | -161.4 | 1.4 | 112 | S535 R536 K542 K543 | S535-R539 WeakPolarHBondContact O-CG 3.41Å; S535-R539 PolarHBondContact O-N 3.44Å; S535-R539 VanDerWaalsContact O-N 3.09Å; R536-R539 PolarHBondContact O-N 3.41Å; R539-K542 PolarHBondContact O-N 2.89Å; R539-K543 PolarHBondContact O-N 2.87Å; R539-K543 VanDerWaalsContact O-N 3.12Å |
| 540 | L | 97.9 | Very high | 97 | Very high | 13 Ų | 13 | 79.2 Ų | 79.2 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 177.5 | -71.2 | 162 | 0 | 0 | 0 | 112.5 | I498 E501 L502 L505 R536 A537 C538 K542 K543 A544 | I498-L540 HydrophobicContact CG2-CB 4.07Å; I498-L540 HydrophobicContact CG2-CD2 4.06Å; I498-L540 WeakPolarHBondContact CG2-O 3.43Å; E501-L540 HydrophobicContact CB-CD1 4.44Å; E501-L540 HydrophobicContact CG-CD1 3.83Å; E501-L540 WeakPolarHBondContact OE1-CD1 3.27Å; E501-L540 WeakPolarHBondContact OE2-CD2 3.46Å; L502-L540 HydrophobicContact CD1-CB 4.48Å; L502-L540 HydrophobicContact CD2-CB 3.68Å; L502-L540 HydrophobicContact CG-CB 3.94Å; L505-L540 HydrophobicContact CD1-CD1 3.33Å; R536-L540 HydrophobicContact CG-CD1 3.86Å; R536-L540 WeakPolarHBondContact O-CG 3.12Å; R536-L540 PolarHBondContact O-N 3.01Å; A537-L540 PolarHBondContact O-N 3.5Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.95Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 3.44Å; L540-K543 PolarHBondContact O-N 3.4Å; L540-K543 VanDerWaalsContact O-N 3.13Å; L540-A544 WeakPolarHBondContact O-CB 3.47Å; L540-A544 PolarHBondContact O-N 3.11Å |
| 541 | K | 98 | Very high | 97.1 | Very high | 149 Ų | 149 | 76.2 Ų | 76.2 | 65% | 0.648 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 173.5 | -174.1 | 177.2 | 179.5 | 179.8 | 0 | 110.9 | L502 A537 C538 A544 Q545 | L502-K541 HydrophobicContact CD2-CB 4.44Å; A537-K541 WeakPolarHBondContact O-CB 3.09Å; A537-K541 PolarHBondContact O-N 3.47Å; C538-K541 PolarHBondContact O-N 3.28Å; K541-A544 PolarHBondContact O-N 3.48Å; K541-Q545 WeakPolarHBondContact O-CB 3.47Å; K541-Q545 PolarHBondContact O-N 3.46Å |
| 542 | K | 97.2 | Very high | 97.1 | Very high | 161 Ų | 161 | 74 Ų | 74 | 70% | 0.7 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 174 | -169.7 | 171.6 | -177.9 | 174.5 | 0 | 112.6 | C538 R539 L540 Y546 | C538-K542 PolarHBondContact O-N 3.32Å; C538-K542 VanDerWaalsContact O-N 3.12Å; R539-K542 PolarHBondContact O-N 2.89Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 3.44Å; K542-Y546 PolarHBondContact O-N 3.02Å; K542-Y546 VanDerWaalsContact O-N 3.1Å |
| 543 | K | 96.1 | Very high | 97 | Very high | 128 Ų | 128 | 69.5 Ų | 69.5 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.7 | -43.6 | 173.9 | -71.3 | -176.1 | 175.9 | -173.5 | 0 | 112.3 | I498 R539 L540 Y546 E547 | I498-K543 HydrophobicContact CD1-CB 4.06Å; R539-K543 PolarHBondContact O-N 2.87Å; R539-K543 VanDerWaalsContact O-N 3.12Å; L540-K543 PolarHBondContact O-N 3.4Å; L540-K543 VanDerWaalsContact O-N 3.13Å; K543-Y546 PolarHBondContact O-N 2.91Å; K543-E547 PolarHBondContact O-N 3.12Å |
| 544 | A | 97.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 71 Ų | 71 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L495 I498 L502 L540 K541 Y546 E547 A548 | L495-A544 HydrophobicContact CD1-CB 4Å; L495-A544 WeakPolarHBondContact CD1-O 3.46Å; I498-A544 HydrophobicContact CG2-CB 3.8Å; L502-A544 HydrophobicContact CD1-CB 4.06Å; L540-A544 WeakPolarHBondContact O-CB 3.47Å; L540-A544 PolarHBondContact O-N 3.11Å; K541-A544 PolarHBondContact O-N 3.48Å; A544-Y546 VanDerWaalsContact C-N 3.3Å; A544-Y546 PolarHBondContact O-N 3.35Å; A544-E547 PolarHBondContact O-N 3.39Å; A544-A548 WeakPolarHBondContact O-CB 3.5Å; A544-A548 PolarHBondContact O-N 3.05Å |
| 545 | Q | 96.5 | Very high | 96.8 | Very high | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.6 | -39.2 | 176.1 | -172.6 | 178.5 | 6.8 | 0 | 0 | 112.1 | K541 N549 | K541-Q545 WeakPolarHBondContact O-CB 3.47Å; K541-Q545 PolarHBondContact O-N 3.46Å; Q545-N549 WeakPolarHBondContact O-CB 3.41Å; Q545-N549 PolarHBondContact O-N 2.83Å; Q545-N549 PolarHBondContact O-OD1 3.35Å |
| 546 | Y | 95.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -49.2 | 176.6 | -178.3 | -116.3 | 0 | 0 | 0 | 112.4 | D484 V485 K542 K543 A544 A548 N549 K550 | D484-Y546 PolarHBondContact O-OH 3.06Å; V485-Y546 PolarHBondContact O-OH 3.13Å; K542-Y546 PolarHBondContact O-N 3.02Å; K542-Y546 VanDerWaalsContact O-N 3.1Å; K543-Y546 PolarHBondContact O-N 2.91Å; A544-Y546 VanDerWaalsContact C-N 3.3Å; A544-Y546 PolarHBondContact O-N 3.35Å; Y546-A548 PolarHBondContact O-N 3.05Å; Y546-N549 WeakPolarHBondContact O-CB 3.42Å; Y546-N549 PolarHBondContact O-N 3.47Å; Y546-N549 VanDerWaalsContact O-N 3.16Å; Y546-K550 PolarHBondContact O-N 2.92Å |
| 547 | E | 95.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 177.1 | -68.4 | -62.4 | 148.7 | 0 | 0 | 112.6 | K494 L495 K543 A544 N549 K550 V551 | K494-E547 HydrophobicContact CD-CG 4.03Å; K494-E547 VanDerWaalsContact CE-OE1 3.25Å; K494-E547 WeakPolarHBondContact CE-OE1 3.37Å; K494-E547 HydrophobicContact CG-CG 4.24Å; K494-E547 IonicContact NZ-OE1 3.97Å; K494-E547 PolarHBondContact NZ-OE1 3.15Å; L495-E547 HydrophobicContact CB-CB 4.15Å; L495-E547 HydrophobicContact CD1-CB 4.12Å; K543-E547 PolarHBondContact O-N 3.12Å; A544-E547 PolarHBondContact O-N 3.39Å; E547-N549 VanDerWaalsContact C-N 3.31Å; E547-N549 PolarHBondContact O-N 3.28Å; E547-K550 WeakPolarHBondContact O-CB 3.34Å; E547-K550 PolarHBondContact O-N 2.93Å; E547-K550 IonicContact OE1-NZ 3.98Å; E547-K550 PolarHBondContact OE1-NZ 3.1Å; E547-V551 PolarHBondContact O-N 3.26Å; E547-V551 VanDerWaalsContact O-N 3.08Å |
| 548 | A | 96.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 66 Ų | 66 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L495 A544 Y546 K550 V551 K552 V613 | L495-A548 HydrophobicContact CD1-CB 4.1Å; L495-A548 HydrophobicContact CD2-CB 3.95Å; A544-A548 WeakPolarHBondContact O-CB 3.5Å; A544-A548 PolarHBondContact O-N 3.05Å; Y546-A548 PolarHBondContact O-N 3.05Å; A548-K550 VanDerWaalsContact C-N 3.34Å; A548-K550 PolarHBondContact O-N 2.86Å; A548-V551 WeakPolarHBondContact O-CB 3.41Å; A548-V551 PolarHBondContact O-N 3.45Å; A548-K552 WeakPolarHBondContact O-CG 3.48Å; A548-K552 PolarHBondContact O-N 2.93Å; A548-V613 HydrophobicContact CB-CG1 4.33Å |
| 549 | N | 96.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -34 | 175 | -74.7 | -3.1 | 0 | 0 | 0 | 112.4 | Q545 Y546 E547 K552 L553 | Q545-N549 WeakPolarHBondContact O-CB 3.41Å; Q545-N549 PolarHBondContact O-N 2.83Å; Q545-N549 PolarHBondContact O-OD1 3.35Å; Y546-N549 WeakPolarHBondContact O-CB 3.42Å; Y546-N549 PolarHBondContact O-N 3.47Å; Y546-N549 VanDerWaalsContact O-N 3.16Å; E547-N549 VanDerWaalsContact C-N 3.31Å; E547-N549 PolarHBondContact O-N 3.28Å; N549-K552 PolarHBondContact O-N 3.42Å; N549-L553 WeakPolarHBondContact O-CB 3.46Å; N549-L553 PolarHBondContact O-N 2.8Å |
| 550 | K | 95.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 169.5 | -59.5 | -171.4 | -169.5 | -174.1 | 0 | 110.9 | D484 D487 T489 P490 Y546 E547 A548 L553 W554 | D484-K550 IonicContact OD1-NZ 2.86Å; D484-K550 PolarHBondContact OD1-NZ 3.43Å; D487-K550 WeakPolarHBondContact O-CE 3.26Å; D487-K550 PolarHBondContact O-NZ 2.74Å; T489-K550 VanDerWaalsContact O-CD 3.28Å; T489-K550 WeakPolarHBondContact O-CD 3.4Å; P490-K550 HydrophobicContact CB-CB 4.1Å; Y546-K550 PolarHBondContact O-N 2.92Å; E547-K550 WeakPolarHBondContact O-CB 3.34Å; E547-K550 PolarHBondContact O-N 2.93Å; E547-K550 IonicContact OE1-NZ 3.98Å; E547-K550 PolarHBondContact OE1-NZ 3.1Å; A548-K550 VanDerWaalsContact C-N 3.34Å; A548-K550 PolarHBondContact O-N 2.86Å; K550-L553 PolarHBondContact O-N 3.21Å; K550-W554 WeakPolarHBondContact O-CB 3.39Å; K550-W554 PolarHBondContact O-N 3.32Å |
| 551 | V | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | P490 L495 E547 A548 W554 G555 F612 V613 V616 L629 | P490-V551 HydrophobicContact CB-CB 4.42Å; P490-V551 HydrophobicContact CB-CG2 3.77Å; L495-V551 HydrophobicContact CD2-CG2 4.34Å; E547-V551 PolarHBondContact O-N 3.26Å; E547-V551 VanDerWaalsContact O-N 3.08Å; A548-V551 WeakPolarHBondContact O-CB 3.41Å; A548-V551 PolarHBondContact O-N 3.45Å; V551-W554 PolarHBondContact O-N 2.9Å; V551-G555 PolarHBondContact O-N 3.14Å; V551-F612 HydrophobicContact CG1-CD1 4.17Å; V551-F612 HydrophobicContact CG1-CE1 3.82Å; V551-F612 WeakPolarHBondContact O-CE1 3.16Å; V551-V613 HydrophobicContact CB-CG2 4.29Å; V551-V613 HydrophobicContact CG1-CG2 3.93Å; V551-V616 HydrophobicContact CG1-CB 4.29Å; V551-V616 HydrophobicContact CG1-CG1 3.99Å; V551-V616 HydrophobicContact CG1-CG2 4.29Å; V551-L629 HydrophobicContact CG1-CD2 4.42Å |
| 552 | K | 96.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 177.7 | -69.6 | -179 | 179.1 | -143.4 | 0 | 112.5 | A548 N549 W554 G555 L556 T609 V613 | A548-K552 WeakPolarHBondContact O-CG 3.48Å; A548-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact O-N 3.42Å; K552-W554 VanDerWaalsContact C-N 3.27Å; K552-W554 PolarHBondContact O-N 2.79Å; K552-G555 PolarHBondContact O-N 2.87Å; K552-L556 WeakPolarHBondContact O-CB 3.16Å; K552-L556 VanDerWaalsContact O-CG 3.3Å; K552-L556 WeakPolarHBondContact O-CG 3.41Å; K552-L556 PolarHBondContact O-N 3.46Å; K552-T609 WeakPolarHBondContact CE-O 3.24Å; K552-T609 PolarHBondContact NZ-OG1 3.41Å; K552-V613 HydrophobicContact CD-CG2 4.4Å; K552-V613 HydrophobicContact CG-CG2 3.58Å |
| 553 | L | 95.7 | Very high | 95.5 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 177.7 | 176.9 | 61.7 | 0 | 0 | 0 | 111.2 | L488 N549 K550 N557 | L488-L553 HydrophobicContact CD1-CD2 4.13Å; L488-L553 HydrophobicContact CD2-CD2 4.41Å; N549-L553 WeakPolarHBondContact O-CB 3.46Å; N549-L553 PolarHBondContact O-N 2.8Å; K550-L553 PolarHBondContact O-N 3.21Å; L553-N557 WeakPolarHBondContact O-CB 3.32Å; L553-N557 PolarHBondContact O-N 3.36Å |
| 554 | W | 94.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 177.6 | -169.7 | 96.9 | 0 | 0 | 0 | 112.4 | P490 K550 V551 K552 N557 T558 F612 L629 V630 | P490-W554 HydrophobicContact CG-CB 3.87Å; P490-W554 HydrophobicContact CG-CG 3.72Å; K550-W554 WeakPolarHBondContact O-CB 3.39Å; K550-W554 PolarHBondContact O-N 3.32Å; V551-W554 PolarHBondContact O-N 2.9Å; K552-W554 VanDerWaalsContact C-N 3.27Å; K552-W554 PolarHBondContact O-N 2.79Å; W554-N557 PolarHBondContact O-N 2.66Å; W554-T558 HydrophobicContact CH2-CG2 4.23Å; W554-T558 VanDerWaalsContact CH2-OG1 3.27Å; W554-T558 WeakPolarHBondContact CH2-OG1 3.46Å; W554-T558 HydrophobicContact CZ3-CG2 4.3Å; W554-T558 WeakPolarHBondContact CZ3-OG1 3.5Å; W554-T558 PolarHBondContact O-N 3.2Å; W554-T558 PolarHBondContact O-OG1 3.4Å; W554-F612 HydrophobicContact CE3-CZ 4.45Å; W554-L629 HydrophobicContact CD2-CB 4.34Å; W554-L629 HydrophobicContact CD2-CD2 4.21Å; W554-L629 HydrophobicContact CE3-CB 4.07Å; W554-L629 HydrophobicContact CE3-CD2 3.44Å; W554-L629 VanDerWaalsContact CE3-CD2 3.44Å; W554-L629 HydrophobicContact CE3-CG 4.26Å; W554-L629 HydrophobicContact CH2-CB 4.08Å; W554-L629 HydrophobicContact CZ2-CB 4.28Å; W554-L629 HydrophobicContact CZ3-CB 3.93Å; W554-L629 HydrophobicContact CZ3-CD2 3.72Å; W554-L629 HydrophobicContact CZ3-CG 4.43Å; W554-V630 HydrophobicContact CH2-CB 4.12Å; W554-V630 VanDerWaalsContact CH2-O 3.25Å; W554-V630 WeakPolarHBondContact CH2-O 3.49Å; W554-V630 WeakPolarHBondContact CZ2-O 3.33Å |
| 555 | G | 94.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V551 K552 N557 T558 E559 | V551-G555 PolarHBondContact O-N 3.14Å; K552-G555 PolarHBondContact O-N 2.87Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 2.86Å; G555-T558 PolarHBondContact O-N 3.04Å; G555-E559 PolarHBondContact O-N 3.02Å |
| 556 | L | 95.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 177.3 | -68.8 | 168.1 | 0 | 0 | 0 | 112.7 | K552 Y560 V605 A606 T609 | K552-L556 WeakPolarHBondContact O-CB 3.16Å; K552-L556 VanDerWaalsContact O-CG 3.3Å; K552-L556 WeakPolarHBondContact O-CG 3.41Å; K552-L556 PolarHBondContact O-N 3.46Å; L556-Y560 WeakPolarHBondContact O-CB 3.45Å; L556-Y560 PolarHBondContact O-N 2.75Å; L556-V605 HydrophobicContact CD2-CB 4.17Å; L556-V605 HydrophobicContact CD2-CG1 4.02Å; L556-V605 HydrophobicContact CG-CG1 4.07Å; L556-A606 HydrophobicContact CD2-CB 4.24Å; L556-T609 HydrophobicContact CD1-CG2 4.31Å; L556-T609 HydrophobicContact CD2-CG2 4.33Å |
| 557 | N | 94.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68 | -40.1 | 173.9 | -158.6 | 103.8 | 0 | 0 | 0 | 111.6 | Q466 L553 W554 G555 Y560 D561 | Q466-N557 PolarHBondContact NE2-OD1 3.03Å; L553-N557 WeakPolarHBondContact O-CB 3.32Å; L553-N557 PolarHBondContact O-N 3.36Å; W554-N557 PolarHBondContact O-N 2.66Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 2.86Å; N557-Y560 WeakPolarHBondContact O-CB 3.2Å; N557-Y560 PolarHBondContact O-N 2.84Å; N557-D561 PolarHBondContact ND2-OD2 2.87Å; N557-D561 VanDerWaalsContact O-CG 3.28Å; N557-D561 PolarHBondContact O-N 3.09Å |
| 558 | T | 93.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | W554 G555 D561 N562 | W554-T558 HydrophobicContact CH2-CG2 4.23Å; W554-T558 VanDerWaalsContact CH2-OG1 3.27Å; W554-T558 WeakPolarHBondContact CH2-OG1 3.46Å; W554-T558 HydrophobicContact CZ3-CG2 4.3Å; W554-T558 WeakPolarHBondContact CZ3-OG1 3.5Å; W554-T558 PolarHBondContact O-N 3.2Å; W554-T558 PolarHBondContact O-OG1 3.4Å; G555-T558 PolarHBondContact O-N 3.04Å; T558-D561 PolarHBondContact O-N 3.23Å; T558-N562 WeakPolarHBondContact O-CB 3.37Å; T558-N562 PolarHBondContact O-N 3.5Å; T558-N562 PolarHBondContact O-OD1 3.29Å |
| 559 | E | 94.5 | Very high | 95.4 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 172 | -178.9 | 175.1 | -144 | 0 | 0 | 111.9 | G555 N562 L563 P604 V605 A606 | G555-E559 PolarHBondContact O-N 3.02Å; E559-N562 PolarHBondContact O-N 3.45Å; E559-L563 HydrophobicContact CG-CD1 4Å; E559-L563 WeakPolarHBondContact O-CB 3.47Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.16Å; E559-L563 PolarHBondContact O-N 2.83Å; E559-P604 WeakPolarHBondContact OE1-CA 3.24Å; E559-P604 VanDerWaalsContact OE1-CB 3.28Å; E559-P604 WeakPolarHBondContact OE1-CB 3.47Å; E559-V605 VanDerWaalsContact CD-N 3.28Å; E559-V605 PolarHBondContact OE1-N 3.31Å; E559-V605 WeakPolarHBondContact OE2-CA 3.36Å; E559-V605 WeakPolarHBondContact OE2-CB 3.18Å; E559-V605 PolarHBondContact OE2-N 3.45Å; E559-V605 VanDerWaalsContact OE2-N 3.13Å; E559-A606 PolarHBondContact OE2-N 3.49Å |
| 560 | Y | 95 | Very high | 95.3 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 174.5 | 172.7 | -96 | 0 | 0 | 0 | 112.5 | R457 L556 N557 N562 L563 L564 | R457-Y560 PolarHBondContact NE-OH 2.86Å; R457-Y560 PolarHBondContact NH2-OH 2.68Å; L556-Y560 WeakPolarHBondContact O-CB 3.45Å; L556-Y560 PolarHBondContact O-N 2.75Å; N557-Y560 WeakPolarHBondContact O-CB 3.2Å; N557-Y560 PolarHBondContact O-N 2.84Å; Y560-N562 PolarHBondContact O-N 3.27Å; Y560-L563 PolarHBondContact O-N 3.28Å; Y560-L564 HydrophobicContact CE1-CD2 4.04Å; Y560-L564 VanDerWaalsContact O-CB 3.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.28Å; Y560-L564 PolarHBondContact O-N 3.49Å |
| 561 | D | 94.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 179.2 | -68.9 | -34.1 | 0 | 0 | 0 | 111.3 | N557 T558 L564 F565 | N557-D561 PolarHBondContact ND2-OD2 2.87Å; N557-D561 VanDerWaalsContact O-CG 3.28Å; N557-D561 PolarHBondContact O-N 3.09Å; T558-D561 PolarHBondContact O-N 3.23Å; D561-L564 PolarHBondContact O-N 2.86Å; D561-F565 WeakPolarHBondContact O-CB 3.13Å; D561-F565 PolarHBondContact O-N 3.4Å |
| 562 | N | 94.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.8 | -71.6 | -4.5 | 0 | 0 | 0 | 112.3 | T558 E559 Y560 L564 F565 V566 T600 L601 | T558-N562 WeakPolarHBondContact O-CB 3.37Å; T558-N562 PolarHBondContact O-N 3.5Å; T558-N562 PolarHBondContact O-OD1 3.29Å; E559-N562 PolarHBondContact O-N 3.45Å; Y560-N562 PolarHBondContact O-N 3.27Å; N562-L564 VanDerWaalsContact C-N 3.34Å; N562-F565 WeakPolarHBondContact O-CB 3.25Å; N562-F565 PolarHBondContact O-N 2.95Å; N562-V566 WeakPolarHBondContact O-CG2 3.37Å; N562-V566 PolarHBondContact O-N 3.12Å; N562-T600 HydrophobicContact CB-CG2 4.01Å; N562-T600 PolarHBondContact ND2-O 3.14Å; N562-L601 HydrophobicContact CB-CD2 3.91Å |
| 563 | L | 95.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 173 | -75.3 | 166.3 | 0 | 0 | 0 | 111.1 | E559 Y560 F565 V566 I567 L601 | E559-L563 HydrophobicContact CG-CD1 4Å; E559-L563 WeakPolarHBondContact O-CB 3.47Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.16Å; E559-L563 PolarHBondContact O-N 2.83Å; Y560-L563 PolarHBondContact O-N 3.28Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.32Å; L563-V566 PolarHBondContact O-N 3.09Å; L563-I567 WeakPolarHBondContact O-CB 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.09Å; L563-L601 HydrophobicContact CD2-CD1 3.67Å; L563-L601 HydrophobicContact CD2-CD2 3.97Å; L563-L601 HydrophobicContact CG-CD2 4.12Å |
| 564 | L | 96.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -34.7 | 176.7 | -175.6 | 60.2 | 0 | 0 | 0 | 111.8 | Y560 D561 N562 N568 | Y560-L564 HydrophobicContact CE1-CD2 4.04Å; Y560-L564 VanDerWaalsContact O-CB 3.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.28Å; Y560-L564 PolarHBondContact O-N 3.49Å; D561-L564 PolarHBondContact O-N 2.86Å; N562-L564 VanDerWaalsContact C-N 3.34Å; L564-N568 WeakPolarHBondContact CD1-ND2 3.32Å; L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.06Å; L564-N568 PolarHBondContact O-ND2 3.5Å |
| 565 | F | 95.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 171.9 | 175.7 | -91.1 | 0 | 0 | 0 | 112.1 | D561 N562 L563 N568 S569 T600 | D561-F565 WeakPolarHBondContact O-CB 3.13Å; D561-F565 PolarHBondContact O-N 3.4Å; N562-F565 WeakPolarHBondContact O-CB 3.25Å; N562-F565 PolarHBondContact O-N 2.95Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.32Å; F565-N568 PolarHBondContact O-N 3.42Å; F565-S569 VanDerWaalsContact O-CB 3.26Å; F565-S569 WeakPolarHBondContact O-CB 3.33Å; F565-S569 PolarHBondContact O-N 3.44Å; F565-S569 PolarHBondContact O-OG 3.24Å; F565-T600 HydrophobicContact CD1-CG2 3.65Å; F565-T600 HydrophobicContact CE1-CG2 4.27Å; F565-T600 HydrophobicContact CG-CG2 4.44Å |
| 566 | V | 96 | Very high | 94.3 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | N562 L563 N568 S569 I570 L593 L596 I597 T600 L601 | N562-V566 WeakPolarHBondContact O-CG2 3.37Å; N562-V566 PolarHBondContact O-N 3.12Å; L563-V566 PolarHBondContact O-N 3.09Å; V566-N568 PolarHBondContact O-N 3.23Å; V566-S569 PolarHBondContact O-N 3.13Å; V566-I570 PolarHBondContact O-N 2.94Å; V566-L593 HydrophobicContact CG1-CD1 3.85Å; V566-L596 HydrophobicContact CG1-CB 4.17Å; V566-L596 HydrophobicContact CG2-CB 4.47Å; V566-I597 HydrophobicContact CG1-CG1 4.07Å; V566-T600 HydrophobicContact CG2-CG2 4.1Å; V566-L601 HydrophobicContact CG2-CD2 4.07Å; V566-L601 HydrophobicContact CG2-CG 4.22Å |
| 567 | I | 96.1 | Very high | 94 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.6 | -69.3 | 165 | 0 | 0 | 0 | 111.3 | L563 I570 K571 | L563-I567 WeakPolarHBondContact O-CB 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.09Å; I567-I570 WeakPolarHBondContact O-CG2 3.3Å; I567-K571 VanDerWaalsContact O-CB 3.26Å; I567-K571 WeakPolarHBondContact O-CB 3.47Å; I567-K571 PolarHBondContact O-N 3.37Å; I567-K571 VanDerWaalsContact O-N 3.07Å |
| 568 | N | 96.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.9 | -77.1 | -61.6 | 0 | 0 | 0 | 112 | L564 F565 V566 K571 Q572 | L564-N568 WeakPolarHBondContact CD1-ND2 3.32Å; L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.06Å; L564-N568 PolarHBondContact O-ND2 3.5Å; F565-N568 PolarHBondContact O-N 3.42Å; V566-N568 PolarHBondContact O-N 3.23Å; N568-K571 PolarHBondContact O-N 3.42Å; N568-Q572 WeakPolarHBondContact O-CG 3.42Å; N568-Q572 PolarHBondContact O-N 3.04Å |
| 569 | S | 95.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 74.2 Ų | 74.2 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 179.5 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | F565 V566 Q572 E573 | F565-S569 VanDerWaalsContact O-CB 3.26Å; F565-S569 WeakPolarHBondContact O-CB 3.33Å; F565-S569 PolarHBondContact O-N 3.44Å; F565-S569 PolarHBondContact O-OG 3.24Å; V566-S569 PolarHBondContact O-N 3.13Å; S569-Q572 PolarHBondContact O-N 2.72Å; S569-E573 PolarHBondContact O-N 2.75Å |
| 570 | I | 94.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 76.7 Ų | 76.7 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 176.8 | -156.8 | 69.1 | 0 | 0 | 0 | 111.9 | V566 I567 E573 I574 M589 L593 L596 | V566-I570 PolarHBondContact O-N 2.94Å; I567-I570 WeakPolarHBondContact O-CG2 3.3Å; I570-E573 WeakPolarHBondContact O-CB 3.2Å; I570-E573 PolarHBondContact O-N 2.91Å; I570-I574 WeakPolarHBondContact O-CG1 3.18Å; I570-I574 PolarHBondContact O-N 3.4Å; I570-M589 HydrophobicContact CD1-CE 3.48Å; I570-M589 VanDerWaalsContact CD1-CE 3.48Å; I570-M589 HydrophobicContact CG1-CE 3.73Å; I570-L593 HydrophobicContact CB-CD1 4.23Å; I570-L593 HydrophobicContact CD1-CB 3.81Å; I570-L593 HydrophobicContact CD1-CD1 4.45Å; I570-L593 HydrophobicContact CG1-CB 4.18Å; I570-L593 HydrophobicContact CG1-CD1 4.14Å; I570-L593 HydrophobicContact CG2-CD1 4.3Å; I570-L596 HydrophobicContact CB-CD1 4.33Å; I570-L596 HydrophobicContact CD1-CD1 4.12Å |
| 571 | K | 94.3 | Very high | 92.1 | Very high | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 172.1 | -179.7 | 176.4 | 178.9 | 176.1 | 0 | 112.1 | I567 N568 E573 I574 V575 | I567-K571 VanDerWaalsContact O-CB 3.26Å; I567-K571 WeakPolarHBondContact O-CB 3.47Å; I567-K571 PolarHBondContact O-N 3.37Å; I567-K571 VanDerWaalsContact O-N 3.07Å; N568-K571 PolarHBondContact O-N 3.42Å; K571-E573 VanDerWaalsContact C-N 3.3Å; K571-E573 PolarHBondContact O-N 3.38Å; K571-I574 PolarHBondContact O-N 2.89Å; K571-V575 WeakPolarHBondContact O-CG2 3.41Å; K571-V575 PolarHBondContact O-N 3.13Å; K571-V575 VanDerWaalsContact O-N 3.1Å |
| 572 | Q | 93.2 | Very high | 90.9 | Very high | 112 Ų | 112 | 83.9 Ų | 83.9 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 175.3 | -66.4 | -63.1 | -8.1 | 0 | 0 | 111.5 | N568 S569 V575 N576 | N568-Q572 WeakPolarHBondContact O-CG 3.42Å; N568-Q572 PolarHBondContact O-N 3.04Å; S569-Q572 PolarHBondContact O-N 2.72Å; Q572-V575 PolarHBondContact O-N 3.37Å; Q572-N576 WeakPolarHBondContact O-CB 3.33Å; Q572-N576 PolarHBondContact O-N 3.28Å; Q572-N576 PolarHBondContact O-ND2 3.16Å |
| 573 | E | 91.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.4 | -177.7 | 69.3 | 168.7 | 0 | 0 | 112.9 | S569 I570 K571 V575 N576 R577 M589 K592 | S569-E573 PolarHBondContact O-N 2.75Å; I570-E573 WeakPolarHBondContact O-CB 3.2Å; I570-E573 PolarHBondContact O-N 2.91Å; K571-E573 VanDerWaalsContact C-N 3.3Å; K571-E573 PolarHBondContact O-N 3.38Å; E573-V575 PolarHBondContact O-N 3.06Å; E573-N576 PolarHBondContact O-N 3.46Å; E573-R577 WeakPolarHBondContact O-CG 3.37Å; E573-R577 PolarHBondContact O-N 2.89Å; E573-R577 IonicContact OE1-CZ 2.66Å; E573-R577 VanDerWaalsContact OE1-CZ 3.26Å; E573-R577 IonicContact OE1-NE 3.43Å; E573-R577 PolarHBondContact OE1-NE 3.11Å; E573-R577 IonicContact OE1-NH2 2.73Å; E573-R577 PolarHBondContact OE1-NH2 3.42Å; E573-M589 HydrophobicContact CB-CE 4.27Å; E573-M589 HydrophobicContact CG-CE 3.91Å; E573-M589 HydrophobicContact CG-SD 3.68Å; E573-K592 VanDerWaalsContact CD-CE 3.46Å; E573-K592 HydrophobicContact CG-CD 3.92Å; E573-K592 VanDerWaalsContact OE1-CD 3.25Å; E573-K592 WeakPolarHBondContact OE1-CD 3.32Å; E573-K592 WeakPolarHBondContact OE1-CE 3.41Å; E573-K592 IonicContact OE1-NZ 2.93Å; E573-K592 PolarHBondContact OE1-NZ 3.05Å; E573-K592 WeakPolarHBondContact OE2-CE 3.32Å; E573-K592 IonicContact OE2-NZ 2.68Å; E573-K592 PolarHBondContact OE2-NZ 3.26Å |
| 574 | I | 91.2 | Very high | 87.8 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 45% | 0.451 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 176.4 | -66.4 | 164.6 | 0 | 0 | 0 | 109.9 | I570 K571 N576 R577 V578 M589 | I570-I574 WeakPolarHBondContact O-CG1 3.18Å; I570-I574 PolarHBondContact O-N 3.4Å; K571-I574 PolarHBondContact O-N 2.89Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.96Å; I574-R577 PolarHBondContact O-N 2.9Å; I574-V578 HydrophobicContact CG2-CG2 4.45Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.41Å; I574-M589 HydrophobicContact CD1-CE 4.27Å; I574-M589 HydrophobicContact CG1-CE 3.47Å; I574-M589 VanDerWaalsContact CG1-CE 3.47Å; I574-M589 HydrophobicContact CG1-SD 4.4Å |
| 575 | V | 92.1 | Very high | 86.2 | Confident | 53 Ų | 53 | 101.5 Ų | 101.5 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | K571 Q572 E573 R577 V578 Q579 | K571-V575 WeakPolarHBondContact O-CG2 3.41Å; K571-V575 PolarHBondContact O-N 3.13Å; K571-V575 VanDerWaalsContact O-N 3.1Å; Q572-V575 PolarHBondContact O-N 3.37Å; E573-V575 PolarHBondContact O-N 3.06Å; V575-R577 PolarHBondContact O-N 3.08Å; V575-V578 PolarHBondContact O-N 2.95Å; V575-Q579 WeakPolarHBondContact O-CB 3.2Å; V575-Q579 WeakPolarHBondContact O-CG 3.46Å; V575-Q579 PolarHBondContact O-N 2.87Å |
| 576 | N | 90 | Very high | 84.9 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.7 | -72.5 | -21.6 | 0 | 0 | 0 | 112.5 | Q572 E573 I574 Q579 N580 | Q572-N576 WeakPolarHBondContact O-CB 3.33Å; Q572-N576 PolarHBondContact O-N 3.28Å; Q572-N576 PolarHBondContact O-ND2 3.16Å; E573-N576 PolarHBondContact O-N 3.46Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.96Å; N576-Q579 PolarHBondContact O-N 3.07Å; N576-N580 WeakPolarHBondContact O-CB 3.3Å; N576-N580 PolarHBondContact O-N 3.08Å; N576-N580 PolarHBondContact O-ND2 2.98Å |
| 577 | R | 88.9 | Confident | 84.1 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 28% | 0.279 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -39.1 | 178.6 | -69.2 | -175.9 | -168.2 | -152.8 | 4.8 | 112.8 | E573 I574 V575 Q579 N580 P581 P587 M589 | E573-R577 WeakPolarHBondContact O-CG 3.37Å; E573-R577 PolarHBondContact O-N 2.89Å; E573-R577 IonicContact OE1-CZ 2.66Å; E573-R577 VanDerWaalsContact OE1-CZ 3.26Å; E573-R577 IonicContact OE1-NE 3.43Å; E573-R577 PolarHBondContact OE1-NE 3.11Å; E573-R577 IonicContact OE1-NH2 2.73Å; E573-R577 PolarHBondContact OE1-NH2 3.42Å; I574-R577 PolarHBondContact O-N 2.9Å; V575-R577 PolarHBondContact O-N 3.08Å; R577-Q579 VanDerWaalsContact C-N 3.28Å; R577-Q579 PolarHBondContact O-N 3.37Å; R577-N580 CarbonylContact O-C 3.59Å; R577-N580 PolarHBondContact O-N 3.12Å; R577-P581 WeakPolarHBondContact O-CA 3.34Å; R577-P587 VanDerWaalsContact CZ-O 3.27Å; R577-P587 PolarHBondContact NH1-O 2.94Å; R577-P587 PolarHBondContact NH2-O 3.23Å; R577-M589 VanDerWaalsContact CD-SD 3.58Å; R577-M589 VanDerWaalsContact CZ-SD 3.53Å; R577-M589 PolarHBondContact NE-SD 3.43Å; R577-M589 VanDerWaalsContact NE-SD 3.4Å |
| 578 | V | 89 | Confident | 83.6 | Confident | 116 Ų | 116 | 100.8 Ų | 100.8 | 70% | 0.703 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | I574 V575 | I574-V578 HydrophobicContact CG2-CG2 4.45Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.41Å; V575-V578 PolarHBondContact O-N 2.95Å |
| 579 | Q | 89.4 | Confident | 83.2 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79 | -30.9 | 176.1 | -69.8 | 178.5 | 11.6 | 0 | 0 | 113.6 | V575 N576 R577 P581 | V575-Q579 WeakPolarHBondContact O-CB 3.2Å; V575-Q579 WeakPolarHBondContact O-CG 3.46Å; V575-Q579 PolarHBondContact O-N 2.87Å; N576-Q579 PolarHBondContact O-N 3.07Å; R577-Q579 VanDerWaalsContact C-N 3.28Å; R577-Q579 PolarHBondContact O-N 3.37Å; Q579-P581 VanDerWaalsContact C-CD 3.42Å; Q579-P581 WeakPolarHBondContact O-CD 3.29Å |
| 580 | N | 85.6 | Confident | 83 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | trans | -126.5 | 62.8 | -175.4 | -54.9 | -83.5 | 0 | 0 | 0 | 112.2 | N576 R577 R582 D583 | N576-N580 WeakPolarHBondContact O-CB 3.3Å; N576-N580 PolarHBondContact O-N 3.08Å; N576-N580 PolarHBondContact O-ND2 2.98Å; R577-N580 CarbonylContact O-C 3.59Å; R577-N580 PolarHBondContact O-N 3.12Å; N580-R582 PolarHBondContact O-N 3.39Å; N580-D583 PolarHBondContact O-N 3.09Å | ||
| 581 | P | 74.6 | Confident | 82.8 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 0.3 | -175.8 | 28.8 | -37.3 | 0 | 0 | 0 | 114.6 | R577 Q579 | R577-P581 WeakPolarHBondContact O-CA 3.34Å; Q579-P581 VanDerWaalsContact C-CD 3.42Å; Q579-P581 WeakPolarHBondContact O-CD 3.29Å |
| 582 | R | 67.9 | Low | 82.7 | Confident | 240 Ų | 240 | 100.9 Ų | 100.9 | 91% | 0.906 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.9 | 174.9 | -68.5 | -176.8 | 179 | -100.3 | -0.3 | 113.5 | N580 | N580-R582 PolarHBondContact O-N 3.39Š|
| 583 | D | 63.3 | Low | 82.7 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 68% | 0.684 | 50% | 0.497 | S | S | * | . | trans | -99.4 | 34 | 180 | -72.9 | -48.8 | 0 | 0 | 0 | 113.5 | N580 R585 | N580-D583 PolarHBondContact O-N 3.09Å; D583-R585 PolarHBondContact O-N 3.24Å | ||
| 584 | E | 61.7 | Low | 82.8 | Confident | 180 Ų | 180 | 102 Ų | 102 | 84% | 0.841 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 9.6 | 173.6 | -79.7 | -159.6 | 133.7 | 0 | 0 | 115.4 | G586 | E584-G586 VanDerWaalsContact C-N 3.27Å; E584-G586 PolarHBondContact O-N 3.44Å |
| 585 | R | 63.3 | Low | 82.9 | Confident | 247 Ų | 247 | 101.8 Ų | 101.8 | 93% | 0.932 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.9 | 176.7 | -138 | -180 | -59.7 | -126.9 | -0.3 | 113.9 | D583 | D583-R585 PolarHBondContact O-N 3.24Š|
| 586 | G | 69.6 | Low | 83 | Confident | 42 Ų | 42 | 100.7 Ų | 100.7 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -82.4 | 167.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E584 | E584-G586 VanDerWaalsContact C-N 3.27Å; E584-G586 PolarHBondContact O-N 3.44Å |
| 587 | P | 77.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 158.8 | 175.1 | 27.2 | -35.3 | 0 | 0 | 0 | 111.9 | R577 Q591 K592 | R577-P587 VanDerWaalsContact CZ-O 3.27Å; R577-P587 PolarHBondContact NH1-O 2.94Å; R577-P587 PolarHBondContact NH2-O 3.23Å; P587-Q591 HydrophobicContact CB-CB 4.29Å; P587-K592 HydrophobicContact CG-CB 4.47Å |
| 588 | N | 87 | Confident | 83.4 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 150.1 | 177.9 | -176.4 | -75.2 | 0 | 0 | 0 | 111.2 | G590 Q591 K592 | N588-G590 VanDerWaalsContact C-N 3.27Å; N588-G590 PolarHBondContact O-N 2.9Å; N588-G590 PolarHBondContact OD1-N 3.26Å; N588-Q591 HydrophobicContact CB-CB 4.3Å; N588-Q591 HydrophobicContact CB-CG 4.04Å; N588-Q591 WeakPolarHBondContact O-CB 3.46Å; N588-Q591 PolarHBondContact O-N 3.4Å; N588-Q591 VanDerWaalsContact O-N 3.1Å; N588-K592 PolarHBondContact O-N 3.43Å |
| 589 | M | 88 | Confident | 83.5 | Confident | 53 Ų | 53 | 104.1 Ų | 104.1 | 26% | 0.261 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -53.3 | -42.6 | 177.7 | -78.6 | -56.4 | -50.1 | 0 | 0 | 113 | I570 E573 I574 R577 K592 L593 | I570-M589 HydrophobicContact CD1-CE 3.48Å; I570-M589 VanDerWaalsContact CD1-CE 3.48Å; I570-M589 HydrophobicContact CG1-CE 3.73Å; E573-M589 HydrophobicContact CB-CE 4.27Å; E573-M589 HydrophobicContact CG-CE 3.91Å; E573-M589 HydrophobicContact CG-SD 3.68Å; I574-M589 HydrophobicContact CD1-CE 4.27Å; I574-M589 HydrophobicContact CG1-CE 3.47Å; I574-M589 VanDerWaalsContact CG1-CE 3.47Å; I574-M589 HydrophobicContact CG1-SD 4.4Å; R577-M589 VanDerWaalsContact CD-SD 3.58Å; R577-M589 VanDerWaalsContact CZ-SD 3.53Å; R577-M589 PolarHBondContact NE-SD 3.43Å; R577-M589 VanDerWaalsContact NE-SD 3.4Å; M589-K592 PolarHBondContact O-N 2.93Å; M589-L593 WeakPolarHBondContact O-CB 3.45Å; M589-L593 PolarHBondContact O-N 3.09Å |
| 590 | G | 90.2 | Very high | 83.6 | Confident | 34 Ų | 34 | 99.1 Ų | 99.1 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N588 K592 L593 E594 | N588-G590 VanDerWaalsContact C-N 3.27Å; N588-G590 PolarHBondContact O-N 2.9Å; N588-G590 PolarHBondContact OD1-N 3.26Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 2.96Å; G590-L593 PolarHBondContact O-N 3.08Å; G590-E594 PolarHBondContact O-N 2.85Å |
| 591 | Q | 91.5 | Very high | 83.8 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.5 | -69.1 | 171.3 | -29 | 0 | 0 | 111.9 | P587 N588 E594 I595 | P587-Q591 HydrophobicContact CB-CB 4.29Å; N588-Q591 HydrophobicContact CB-CB 4.3Å; N588-Q591 HydrophobicContact CB-CG 4.04Å; N588-Q591 WeakPolarHBondContact O-CB 3.46Å; N588-Q591 PolarHBondContact O-N 3.4Å; N588-Q591 VanDerWaalsContact O-N 3.1Å; Q591-E594 PolarHBondContact O-N 2.82Å; Q591-I595 WeakPolarHBondContact O-CD1 3.41Å; Q591-I595 VanDerWaalsContact O-CG1 3.25Å; Q591-I595 WeakPolarHBondContact O-CG1 3.33Å; Q591-I595 PolarHBondContact O-N 3.14Å |
| 592 | K | 90.9 | Very high | 84.2 | Confident | 66 Ų | 66 | 96.1 Ų | 96.1 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -32.7 | 177.8 | -170.3 | 158.8 | 175.2 | 174.3 | 0 | 112.4 | E573 P587 N588 M589 G590 L596 | E573-K592 VanDerWaalsContact CD-CE 3.46Å; E573-K592 HydrophobicContact CG-CD 3.92Å; E573-K592 VanDerWaalsContact OE1-CD 3.25Å; E573-K592 WeakPolarHBondContact OE1-CD 3.32Å; E573-K592 WeakPolarHBondContact OE1-CE 3.41Å; E573-K592 IonicContact OE1-NZ 2.93Å; E573-K592 PolarHBondContact OE1-NZ 3.05Å; E573-K592 WeakPolarHBondContact OE2-CE 3.32Å; E573-K592 IonicContact OE2-NZ 2.68Å; E573-K592 PolarHBondContact OE2-NZ 3.26Å; P587-K592 HydrophobicContact CG-CB 4.47Å; N588-K592 PolarHBondContact O-N 3.43Å; M589-K592 PolarHBondContact O-N 2.93Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 2.96Å; K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 WeakPolarHBondContact O-CG 3.41Å; K592-L596 PolarHBondContact O-N 2.73Å |
| 593 | L | 94.1 | Very high | 85.1 | Confident | 64 Ų | 64 | 91 Ų | 91 | 34% | 0.335 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -45 | 169.7 | 178.6 | 57.9 | 0 | 0 | 0 | 111.6 | V566 I570 M589 G590 I595 L596 I597 | V566-L593 HydrophobicContact CG1-CD1 3.85Å; I570-L593 HydrophobicContact CB-CD1 4.23Å; I570-L593 HydrophobicContact CD1-CB 3.81Å; I570-L593 HydrophobicContact CD1-CD1 4.45Å; I570-L593 HydrophobicContact CG1-CB 4.18Å; I570-L593 HydrophobicContact CG1-CD1 4.14Å; I570-L593 HydrophobicContact CG2-CD1 4.3Å; M589-L593 WeakPolarHBondContact O-CB 3.45Å; M589-L593 PolarHBondContact O-N 3.09Å; G590-L593 PolarHBondContact O-N 3.08Å; L593-I595 VanDerWaalsContact C-N 3.33Å; L593-I595 PolarHBondContact O-N 2.89Å; L593-L596 PolarHBondContact O-N 3.25Å; L593-I597 HydrophobicContact CD1-CD1 3.94Å; L593-I597 HydrophobicContact CD1-CG1 4.18Å; L593-I597 HydrophobicContact CG-CD1 3.86Å; L593-I597 WeakPolarHBondContact O-CB 3.42Å; L593-I597 VanDerWaalsContact O-CG1 3.3Å; L593-I597 WeakPolarHBondContact O-CG1 3.49Å; L593-I597 PolarHBondContact O-N 3.01Å |
| 594 | E | 93.6 | Very high | 86.5 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 175 | -83.6 | -170.2 | -124 | 0 | 0 | 112.6 | G590 Q591 I597 K598 | G590-E594 PolarHBondContact O-N 2.85Å; Q591-E594 PolarHBondContact O-N 2.82Å; E594-I597 PolarHBondContact O-N 3.22Å; E594-K598 WeakPolarHBondContact O-CB 3.34Å; E594-K598 WeakPolarHBondContact O-CD 3.2Å; E594-K598 VanDerWaalsContact O-CG 3.23Å; E594-K598 WeakPolarHBondContact O-CG 3.41Å; E594-K598 PolarHBondContact O-N 3.18Å; E594-K598 IonicContact OE2-NZ 3.26Å; E594-K598 PolarHBondContact OE2-NZ 3.19Å |
| 595 | I | 93 | Very high | 88.1 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -51.2 | 176 | -69.3 | 162.8 | 0 | 0 | 0 | 109.8 | Q591 L593 I597 K598 D599 | Q591-I595 WeakPolarHBondContact O-CD1 3.41Å; Q591-I595 VanDerWaalsContact O-CG1 3.25Å; Q591-I595 WeakPolarHBondContact O-CG1 3.33Å; Q591-I595 PolarHBondContact O-N 3.14Å; L593-I595 VanDerWaalsContact C-N 3.33Å; L593-I595 PolarHBondContact O-N 2.89Å; I595-I597 VanDerWaalsContact C-N 3.26Å; I595-I597 PolarHBondContact O-N 3.4Å; I595-K598 PolarHBondContact O-N 3.22Å; I595-K598 VanDerWaalsContact O-N 3.13Å; I595-D599 VanDerWaalsContact CG2-OD2 3.25Å; I595-D599 WeakPolarHBondContact CG2-OD2 3.47Å; I595-D599 WeakPolarHBondContact O-CB 3.43Å; I595-D599 VanDerWaalsContact O-CG 3.23Å; I595-D599 PolarHBondContact O-N 3.38Å |
| 596 | L | 94 | Very high | 89.5 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.6 | -38.3 | 176.6 | -75.5 | 167.8 | 0 | 0 | 0 | 112.8 | V566 I570 K592 L593 T600 | V566-L596 HydrophobicContact CG1-CB 4.17Å; V566-L596 HydrophobicContact CG2-CB 4.47Å; I570-L596 HydrophobicContact CB-CD1 4.33Å; I570-L596 HydrophobicContact CD1-CD1 4.12Å; K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 WeakPolarHBondContact O-CG 3.41Å; K592-L596 PolarHBondContact O-N 2.73Å; L593-L596 PolarHBondContact O-N 3.25Å; L596-T600 WeakPolarHBondContact O-CB 3.33Å; L596-T600 PolarHBondContact O-N 3.11Å; L596-T600 VanDerWaalsContact O-N 3.1Å; L596-T600 PolarHBondContact O-OG1 3.4Å |
| 597 | I | 94 | Very high | 90.7 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 36% | 0.359 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -52.7 | 174.1 | -76.7 | 169.8 | 0 | 0 | 0 | 110.6 | V566 L593 E594 I595 D599 T600 L601 | V566-I597 HydrophobicContact CG1-CG1 4.07Å; L593-I597 HydrophobicContact CD1-CD1 3.94Å; L593-I597 HydrophobicContact CD1-CG1 4.18Å; L593-I597 HydrophobicContact CG-CD1 3.86Å; L593-I597 WeakPolarHBondContact O-CB 3.42Å; L593-I597 VanDerWaalsContact O-CG1 3.3Å; L593-I597 WeakPolarHBondContact O-CG1 3.49Å; L593-I597 PolarHBondContact O-N 3.01Å; E594-I597 PolarHBondContact O-N 3.22Å; I595-I597 VanDerWaalsContact C-N 3.26Å; I595-I597 PolarHBondContact O-N 3.4Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 2.85Å; I597-T600 PolarHBondContact O-N 2.96Å; I597-L601 HydrophobicContact CB-CD1 4.46Å; I597-L601 HydrophobicContact CG1-CD1 4.17Å; I597-L601 HydrophobicContact CG2-CD1 4.2Å; I597-L601 WeakPolarHBondContact O-CA 3.33Å; I597-L601 VanDerWaalsContact O-CB 3.27Å; I597-L601 WeakPolarHBondContact O-CB 3.47Å; I597-L601 PolarHBondContact O-N 3.01Å |
| 598 | K | 92.8 | Very high | 91.6 | Very high | 138 Ų | 138 | 74.1 Ų | 74.1 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.1 | -32.2 | -176.4 | -71.6 | 161.4 | -179.2 | 168 | 0 | 113 | E594 I595 | E594-K598 WeakPolarHBondContact O-CB 3.34Å; E594-K598 WeakPolarHBondContact O-CD 3.2Å; E594-K598 VanDerWaalsContact O-CG 3.23Å; E594-K598 WeakPolarHBondContact O-CG 3.41Å; E594-K598 PolarHBondContact O-N 3.18Å; E594-K598 IonicContact OE2-NZ 3.26Å; E594-K598 PolarHBondContact OE2-NZ 3.19Å; I595-K598 PolarHBondContact O-N 3.22Å; I595-K598 VanDerWaalsContact O-N 3.13Å |
| 599 | D | 91.8 | Very high | 92 | Very high | 130 Ų | 130 | 71 Ų | 71 | 70% | 0.695 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -84.3 | -27 | -178.6 | -65.9 | -9.8 | 0 | 0 | 0 | 113 | I595 I597 | I595-D599 VanDerWaalsContact CG2-OD2 3.25Å; I595-D599 WeakPolarHBondContact CG2-OD2 3.47Å; I595-D599 WeakPolarHBondContact O-CB 3.43Å; I595-D599 VanDerWaalsContact O-CG 3.23Å; I595-D599 PolarHBondContact O-N 3.38Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 2.85Å |
| 600 | T | 91.7 | Very high | 92.3 | Very high | 30 Ų | 30 | 71.1 Ų | 71.1 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -109.3 | -36.7 | -174.4 | -37.7 | 0 | 0 | 0 | 0 | 113.7 | N562 F565 V566 L596 I597 | N562-T600 HydrophobicContact CB-CG2 4.01Å; N562-T600 PolarHBondContact ND2-O 3.14Å; F565-T600 HydrophobicContact CD1-CG2 3.65Å; F565-T600 HydrophobicContact CE1-CG2 4.27Å; F565-T600 HydrophobicContact CG-CG2 4.44Å; V566-T600 HydrophobicContact CG2-CG2 4.1Å; L596-T600 WeakPolarHBondContact O-CB 3.33Å; L596-T600 PolarHBondContact O-N 3.11Å; L596-T600 VanDerWaalsContact O-N 3.1Å; L596-T600 PolarHBondContact O-OG1 3.4Å; I597-T600 PolarHBondContact O-N 2.96Å |
| 601 | L | 88.9 | Confident | 92.6 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | trans | -92.5 | 110.6 | -176.1 | -51.4 | -173.7 | 0 | 0 | 0 | 109.4 | N562 L563 V566 I597 | N562-L601 HydrophobicContact CB-CD2 3.91Å; L563-L601 HydrophobicContact CD2-CD1 3.67Å; L563-L601 HydrophobicContact CD2-CD2 3.97Å; L563-L601 HydrophobicContact CG-CD2 4.12Å; V566-L601 HydrophobicContact CG2-CD2 4.07Å; V566-L601 HydrophobicContact CG2-CG 4.22Å; I597-L601 HydrophobicContact CB-CD1 4.46Å; I597-L601 HydrophobicContact CG1-CD1 4.17Å; I597-L601 HydrophobicContact CG2-CD1 4.2Å; I597-L601 WeakPolarHBondContact O-CA 3.33Å; I597-L601 VanDerWaalsContact O-CB 3.27Å; I597-L601 WeakPolarHBondContact O-CB 3.47Å; I597-L601 PolarHBondContact O-N 3.01Å | ||
| 602 | G | 84.8 | Confident | 92.9 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | trans | -75.4 | -155.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 603 | L | 86.9 | Confident | 93.2 | Very high | 133 Ų | 133 | 68.8 Ų | 68.8 | 70% | 0.696 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -60.2 | 131.6 | 169.1 | -64.1 | 172.9 | 0 | 0 | 0 | 109.7 | ||
| 604 | P | 90.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | trans | -67.1 | 142 | -179.3 | 28 | -34.8 | 0 | 0 | 0 | 111 | E559 | E559-P604 WeakPolarHBondContact OE1-CA 3.24Å; E559-P604 VanDerWaalsContact OE1-CB 3.28Å; E559-P604 WeakPolarHBondContact OE1-CB 3.47Å | ||
| 605 | V | 95.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | trans | -97.5 | -32.9 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | L556 E559 G607 Q608 T609 F612 | L556-V605 HydrophobicContact CD2-CB 4.17Å; L556-V605 HydrophobicContact CD2-CG1 4.02Å; L556-V605 HydrophobicContact CG-CG1 4.07Å; E559-V605 VanDerWaalsContact CD-N 3.28Å; E559-V605 PolarHBondContact OE1-N 3.31Å; E559-V605 WeakPolarHBondContact OE2-CA 3.36Å; E559-V605 WeakPolarHBondContact OE2-CB 3.18Å; E559-V605 PolarHBondContact OE2-N 3.45Å; E559-V605 VanDerWaalsContact OE2-N 3.13Å; V605-G607 PolarHBondContact O-N 2.96Å; V605-Q608 CarbonylContact O-C 3.36Å; V605-Q608 PolarHBondContact O-N 3.09Å; V605-Q608 VanDerWaalsContact O-N 3.15Å; V605-T609 HydrophobicContact CG1-CG2 4.44Å; V605-T609 WeakPolarHBondContact O-CG2 3.07Å; V605-T609 PolarHBondContact O-N 2.81Å; V605-T609 VanDerWaalsContact O-N 3.14Å; V605-F612 HydrophobicContact CB-CG 4.5Å; V605-F612 HydrophobicContact CG1-CB 3.93Å; V605-F612 HydrophobicContact CG1-CD1 3.91Å; V605-F612 HydrophobicContact CG1-CD2 4.22Å; V605-F612 HydrophobicContact CG1-CG 3.74Å; V605-F612 HydrophobicContact CG2-CD2 3.6Å; V605-F612 HydrophobicContact CG2-CE2 3.9Å; V605-F612 HydrophobicContact CG2-CG 4.01Å | ||
| 606 | A | 94.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -54.9 | 133.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L556 E559 Q608 | L556-A606 HydrophobicContact CD2-CB 4.24Å; E559-A606 PolarHBondContact OE2-N 3.49Å; A606-Q608 PolarHBondContact O-N 2.96Å |
| 607 | G | 94.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 86% | 0.856 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 73.3 | -40.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V605 T609 | V605-G607 PolarHBondContact O-N 2.96Å; G607-T609 PolarHBondContact O-N 3.04Å |
| 608 | Q | 95.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | trans | -100.5 | 27.1 | -170.6 | -51.8 | -172.7 | 26.3 | 0 | 0 | 113.8 | V605 A606 S610 E611 F612 | V605-Q608 CarbonylContact O-C 3.36Å; V605-Q608 PolarHBondContact O-N 3.09Å; V605-Q608 VanDerWaalsContact O-N 3.15Å; A606-Q608 PolarHBondContact O-N 2.96Å; Q608-S610 PolarHBondContact O-N 3.36Å; Q608-E611 PolarHBondContact O-N 2.91Å; Q608-F612 PolarHBondContact O-N 3.13Å; Q608-F612 VanDerWaalsContact O-N 3.11Å | ||
| 609 | T | 96.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -16.3 | -172.6 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | K552 L556 V605 G607 V613 | K552-T609 WeakPolarHBondContact CE-O 3.24Å; K552-T609 PolarHBondContact NZ-OG1 3.41Å; L556-T609 HydrophobicContact CD1-CG2 4.31Å; L556-T609 HydrophobicContact CD2-CG2 4.33Å; V605-T609 HydrophobicContact CG1-CG2 4.44Å; V605-T609 WeakPolarHBondContact O-CG2 3.07Å; V605-T609 PolarHBondContact O-N 2.81Å; V605-T609 VanDerWaalsContact O-N 3.14Å; G607-T609 PolarHBondContact O-N 3.04Å; T609-V613 WeakPolarHBondContact O-CG2 3.41Å |
| 610 | S | 95.3 | Very high | 94.1 | Very high | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.4 | -51.5 | 170.1 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | Q608 F612 V613 N614 | Q608-S610 PolarHBondContact O-N 3.36Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.11Å; S610-V613 PolarHBondContact O-N 3.12Å; S610-N614 VanDerWaalsContact O-CG 3.29Å; S610-N614 PolarHBondContact O-N 2.86Å; S610-N614 PolarHBondContact O-ND2 3.38Å |
| 611 | E | 96.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | -174.9 | -53 | -33.7 | 114.9 | 0 | 0 | 111.9 | Q608 V613 N614 Q615 | Q608-E611 PolarHBondContact O-N 2.91Å; E611-V613 PolarHBondContact O-N 3.47Å; E611-N614 PolarHBondContact O-N 2.82Å; E611-N614 PolarHBondContact OE2-ND2 3.08Å; E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 PolarHBondContact O-N 2.8Å |
| 612 | F | 96.7 | Very high | 94.5 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 168.4 | -178.3 | -101.8 | 0 | 0 | 0 | 112.3 | V551 W554 V605 Q608 S610 V616 L629 | V551-F612 HydrophobicContact CG1-CD1 4.17Å; V551-F612 HydrophobicContact CG1-CE1 3.82Å; V551-F612 WeakPolarHBondContact O-CE1 3.16Å; W554-F612 HydrophobicContact CE3-CZ 4.45Å; V605-F612 HydrophobicContact CB-CG 4.5Å; V605-F612 HydrophobicContact CG1-CB 3.93Å; V605-F612 HydrophobicContact CG1-CD1 3.91Å; V605-F612 HydrophobicContact CG1-CD2 4.22Å; V605-F612 HydrophobicContact CG1-CG 3.74Å; V605-F612 HydrophobicContact CG2-CD2 3.6Å; V605-F612 HydrophobicContact CG2-CE2 3.9Å; V605-F612 HydrophobicContact CG2-CG 4.01Å; Q608-F612 PolarHBondContact O-N 3.13Å; Q608-F612 VanDerWaalsContact O-N 3.11Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.11Å; F612-V616 HydrophobicContact CD1-CG2 4.42Å; F612-V616 HydrophobicContact CE1-CG2 4.08Å; F612-V616 HydrophobicContact CE2-CG2 4.31Å; F612-V616 HydrophobicContact CZ-CG2 4.03Å; F612-V616 WeakPolarHBondContact O-CB 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.46Å; F612-V616 PolarHBondContact O-N 3.43Å; F612-L629 HydrophobicContact CE1-CD2 4.01Å; F612-L629 HydrophobicContact CZ-CD2 3.63Å |
| 613 | V | 97 | Very high | 94.7 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | L495 A548 V551 K552 T609 S610 E611 V616 L617 | L495-V613 HydrophobicContact CD2-CG1 3.89Å; A548-V613 HydrophobicContact CB-CG1 4.33Å; V551-V613 HydrophobicContact CB-CG2 4.29Å; V551-V613 HydrophobicContact CG1-CG2 3.93Å; K552-V613 HydrophobicContact CD-CG2 4.4Å; K552-V613 HydrophobicContact CG-CG2 3.58Å; T609-V613 WeakPolarHBondContact O-CG2 3.41Å; S610-V613 PolarHBondContact O-N 3.12Å; E611-V613 PolarHBondContact O-N 3.47Å; V613-V616 PolarHBondContact O-N 2.76Å; V613-L617 HydrophobicContact CG1-CD1 3.96Å; V613-L617 HydrophobicContact CG1-CG 4.46Å; V613-L617 WeakPolarHBondContact O-CB 2.83Å; V613-L617 VanDerWaalsContact O-CG 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.27Å |
| 614 | N | 96.1 | Very high | 94.9 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 176.1 | -66.2 | -22.9 | 0 | 0 | 0 | 110.9 | S610 E611 V616 L617 E618 | S610-N614 VanDerWaalsContact O-CG 3.29Å; S610-N614 PolarHBondContact O-N 2.86Å; S610-N614 PolarHBondContact O-ND2 3.38Å; E611-N614 PolarHBondContact O-N 2.82Å; E611-N614 PolarHBondContact OE2-ND2 3.08Å; N614-V616 VanDerWaalsContact C-N 3.34Å; N614-V616 PolarHBondContact O-N 3.15Å; N614-L617 PolarHBondContact O-N 3.43Å; N614-L617 VanDerWaalsContact O-N 3.12Å; N614-E618 WeakPolarHBondContact O-CB 3.45Å; N614-E618 PolarHBondContact O-N 3.07Å |
| 615 | Q | 96.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 60.2 Ų | 60.2 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 178.9 | -168.4 | -170.6 | 95.9 | 0 | 0 | 112.4 | E611 L617 K619 | E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 PolarHBondContact O-N 2.8Å; Q615-L617 VanDerWaalsContact C-N 3.33Å; Q615-K619 HydrophobicContact CG-CD 4.28Å; Q615-K619 WeakPolarHBondContact O-CB 3.22Å; Q615-K619 WeakPolarHBondContact O-CD 3.47Å; Q615-K619 VanDerWaalsContact O-CG 3.29Å; Q615-K619 WeakPolarHBondContact O-CG 3.44Å; Q615-K619 PolarHBondContact O-N 3.42Å |
| 616 | V | 96.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 173.8 | 167.6 | 0 | 0 | 0 | 0 | 111 | P492 V551 F612 V613 N614 T620 G627 L629 | P492-V616 HydrophobicContact CB-CG1 3.76Å; P492-V616 HydrophobicContact CG-CG1 4.48Å; V551-V616 HydrophobicContact CG1-CB 4.29Å; V551-V616 HydrophobicContact CG1-CG1 3.99Å; V551-V616 HydrophobicContact CG1-CG2 4.29Å; F612-V616 HydrophobicContact CD1-CG2 4.42Å; F612-V616 HydrophobicContact CE1-CG2 4.08Å; F612-V616 HydrophobicContact CE2-CG2 4.31Å; F612-V616 HydrophobicContact CZ-CG2 4.03Å; F612-V616 WeakPolarHBondContact O-CB 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.46Å; F612-V616 PolarHBondContact O-N 3.43Å; V613-V616 PolarHBondContact O-N 2.76Å; N614-V616 VanDerWaalsContact C-N 3.34Å; N614-V616 PolarHBondContact O-N 3.15Å; V616-T620 WeakPolarHBondContact O-CB 3.4Å; V616-T620 PolarHBondContact O-N 3.48Å; V616-T620 PolarHBondContact O-OG1 2.69Å; V616-G627 WeakPolarHBondContact O-CA 3.46Å; V616-L629 HydrophobicContact CG1-CD1 4.11Å; V616-L629 HydrophobicContact CG1-CD2 4.26Å; V616-L629 HydrophobicContact CG1-CG 4.15Å; V616-L629 HydrophobicContact CG2-CD2 3.74Å; V616-L629 HydrophobicContact CG2-CG 4.33Å |
| 617 | L | 96.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 176.3 | -74.8 | 171.4 | 0 | 0 | 0 | 113.1 | L495 L496 V613 N614 Q615 T620 A621 | L495-L617 HydrophobicContact CB-CD2 4.14Å; L495-L617 HydrophobicContact CD2-CD1 4.06Å; L495-L617 HydrophobicContact CD2-CD2 4.01Å; L495-L617 HydrophobicContact CD2-CG 4.21Å; L495-L617 HydrophobicContact CG-CD1 4.23Å; L495-L617 HydrophobicContact CG-CD2 3.89Å; L495-L617 HydrophobicContact CG-CG 4.5Å; L496-L617 HydrophobicContact CB-CD2 3.73Å; L496-L617 HydrophobicContact CD1-CD2 4.24Å; V613-L617 HydrophobicContact CG1-CD1 3.96Å; V613-L617 HydrophobicContact CG1-CG 4.46Å; V613-L617 WeakPolarHBondContact O-CB 2.83Å; V613-L617 VanDerWaalsContact O-CG 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.27Å; N614-L617 PolarHBondContact O-N 3.43Å; N614-L617 VanDerWaalsContact O-N 3.12Å; Q615-L617 VanDerWaalsContact C-N 3.33Å; L617-T620 CarbonylContact O-C 3.56Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.46Å; L617-A621 PolarHBondContact O-N 2.91Å |
| 618 | E | 96.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.1 | -56.3 | 172.1 | 179.8 | 173.4 | -128 | 0 | 0 | 110.4 | N614 T620 A621 E622 | N614-E618 WeakPolarHBondContact O-CB 3.45Å; N614-E618 PolarHBondContact O-N 3.07Å; E618-T620 PolarHBondContact O-N 3.06Å; E618-T620 VanDerWaalsContact O-N 3.13Å; E618-A621 CarbonylContact O-C 3.46Å; E618-A621 WeakPolarHBondContact O-CA 3.33Å; E618-A621 WeakPolarHBondContact O-CB 3.31Å; E618-A621 PolarHBondContact O-N 3.33Å; E618-E622 WeakPolarHBondContact O-CG 3.34Å; E618-E622 PolarHBondContact O-N 2.96Å |
| 619 | K | 95.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.7 | -34.2 | 173.1 | -71.2 | 166.5 | 177.4 | 173.3 | 0 | 112.8 | Q615 E622 G623 N624 G627 | Q615-K619 HydrophobicContact CG-CD 4.28Å; Q615-K619 WeakPolarHBondContact O-CB 3.22Å; Q615-K619 WeakPolarHBondContact O-CD 3.47Å; Q615-K619 VanDerWaalsContact O-CG 3.29Å; Q615-K619 WeakPolarHBondContact O-CG 3.44Å; Q615-K619 PolarHBondContact O-N 3.42Å; K619-E622 WeakPolarHBondContact CA-OE2 3.2Å; K619-G623 PolarHBondContact O-N 2.84Å; K619-N624 HydrophobicContact CB-CB 4.49Å; K619-N624 WeakPolarHBondContact O-CA 3.49Å; K619-N624 WeakPolarHBondContact O-CB 3.49Å; K619-N624 PolarHBondContact O-N 2.87Å; K619-G627 WeakPolarHBondContact CD-O 3.3Å |
| 620 | T | 95.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.6 | -33 | 176.1 | -55 | 0 | 0 | 0 | 0 | 112.5 | P492 K493 L496 V616 L617 E618 G623 N624 G627 | P492-T620 HydrophobicContact CB-CG2 4.49Å; K493-T620 HydrophobicContact CG-CG2 3.97Å; L496-T620 HydrophobicContact CB-CG2 4.4Å; L496-T620 HydrophobicContact CD2-CG2 3.82Å; V616-T620 WeakPolarHBondContact O-CB 3.4Å; V616-T620 PolarHBondContact O-N 3.48Å; V616-T620 PolarHBondContact O-OG1 2.69Å; L617-T620 CarbonylContact O-C 3.56Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.46Å; E618-T620 PolarHBondContact O-N 3.06Å; E618-T620 VanDerWaalsContact O-N 3.13Å; T620-G623 PolarHBondContact O-N 3.45Å; T620-N624 WeakPolarHBondContact CA-O 3.25Å; T620-G627 VanDerWaalsContact OG1-CA 3.23Å; T620-G627 WeakPolarHBondContact OG1-CA 3.5Å |
| 621 | A | 93.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 56 Ų | 56 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -74.4 | -32.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L496 L617 E618 G623 | L496-A621 HydrophobicContact CD2-CB 4.12Å; L617-A621 PolarHBondContact O-N 2.91Å; E618-A621 CarbonylContact O-C 3.46Å; E618-A621 WeakPolarHBondContact O-CA 3.33Å; E618-A621 WeakPolarHBondContact O-CB 3.31Å; E618-A621 PolarHBondContact O-N 3.33Å; A621-G623 PolarHBondContact O-N 3.24Å |
| 622 | E | 94.3 | Very high | 91.3 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -10.3 | 166.1 | -64.3 | 175.1 | 154.5 | 0 | 0 | 113.1 | E618 K619 | E618-E622 WeakPolarHBondContact O-CG 3.34Å; E618-E622 PolarHBondContact O-N 2.96Å; K619-E622 WeakPolarHBondContact CA-OE2 3.2Å |
| 623 | G | 89.7 | Confident | 90.3 | Very high | 54 Ų | 54 | 61 Ų | 61 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.9 | -2.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K619 T620 A621 P625 | K619-G623 PolarHBondContact O-N 2.84Å; T620-G623 PolarHBondContact O-N 3.45Å; A621-G623 PolarHBondContact O-N 3.24Å; G623-P625 VanDerWaalsContact O-CD 3.23Å; G623-P625 WeakPolarHBondContact O-CD 3.28Å; G623-P625 VanDerWaalsContact O-N 3.15Å |
| 624 | N | 90.4 | Very high | 89 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | trans | -67 | 112.4 | 175.9 | -173.9 | -30.6 | 0 | 0 | 0 | 110 | K619 T620 T626 G627 G628 | K619-N624 HydrophobicContact CB-CB 4.49Å; K619-N624 WeakPolarHBondContact O-CA 3.49Å; K619-N624 WeakPolarHBondContact O-CB 3.49Å; K619-N624 PolarHBondContact O-N 2.87Å; T620-N624 WeakPolarHBondContact CA-O 3.25Å; N624-T626 PolarHBondContact O-N 3.48Å; N624-T626 VanDerWaalsContact O-N 3.07Å; N624-T626 PolarHBondContact OD1-N 3.33Å; N624-T626 VanDerWaalsContact OD1-N 3.1Å; N624-T626 PolarHBondContact OD1-OG1 3.16Å; N624-T626 VanDerWaalsContact OD1-OG1 3.11Å; N624-G627 PolarHBondContact O-N 2.92Å; N624-G627 PolarHBondContact OD1-N 3.19Å; N624-G628 PolarHBondContact ND2-N 3.03Å | ||
| 625 | P | 84.9 | Confident | 87.1 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.3 | -171 | 29.9 | -38.6 | 0 | 0 | 0 | 114.6 | K493 G623 I634 | K493-P625 VanDerWaalsContact CE-CA 3.44Å; K493-P625 VanDerWaalsContact CE-CB 3.41Å; G623-P625 VanDerWaalsContact O-CD 3.23Å; G623-P625 WeakPolarHBondContact O-CD 3.28Å; G623-P625 VanDerWaalsContact O-N 3.15Å; P625-I634 HydrophobicContact CB-CD1 3.93Å; P625-I634 HydrophobicContact CB-CG1 4.1Å; P625-I634 HydrophobicContact CG-CD1 3.32Å; P625-I634 HydrophobicContact CG-CG1 3.92Å |
| 626 | T | 88.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 0.8 | 175.8 | 68 | 0 | 0 | 0 | 0 | 112.8 | N624 G628 L629 L632 I634 | N624-T626 PolarHBondContact O-N 3.48Å; N624-T626 VanDerWaalsContact O-N 3.07Å; N624-T626 PolarHBondContact OD1-N 3.33Å; N624-T626 VanDerWaalsContact OD1-N 3.1Å; N624-T626 PolarHBondContact OD1-OG1 3.16Å; N624-T626 VanDerWaalsContact OD1-OG1 3.11Å; T626-G628 PolarHBondContact O-N 3.45Å; T626-G628 VanDerWaalsContact O-N 3.12Å; T626-G628 PolarHBondContact OG1-N 2.95Å; T626-L629 WeakPolarHBondContact O-CB 3.49Å; T626-L629 WeakPolarHBondContact O-CD1 3.35Å; T626-L629 WeakPolarHBondContact O-CG 3.46Å; T626-L629 PolarHBondContact O-N 2.77Å; T626-L632 HydrophobicContact CG2-CB 4.41Å; T626-L632 HydrophobicContact CG2-CD2 4.42Å; T626-L632 HydrophobicContact CG2-CG 4.37Å; T626-L632 VanDerWaalsContact CG2-O 3.27Å; T626-L632 WeakPolarHBondContact CG2-O 3.36Å; T626-I634 HydrophobicContact CG2-CD1 4.36Å; T626-I634 HydrophobicContact CG2-CG1 3.59Å |
| 627 | G | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 18.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V616 K619 T620 N624 | V616-G627 WeakPolarHBondContact O-CA 3.46Å; K619-G627 WeakPolarHBondContact CD-O 3.3Å; T620-G627 VanDerWaalsContact OG1-CA 3.23Å; T620-G627 WeakPolarHBondContact OG1-CA 3.5Å; N624-G627 PolarHBondContact O-N 2.92Å; N624-G627 PolarHBondContact OD1-N 3.19Å |
| 628 | G | 86.8 | Confident | 79.7 | Confident | 34 Ų | 34 | 82.3 Ų | 82.3 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 11.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N624 T626 V630 | N624-G628 PolarHBondContact ND2-N 3.03Å; T626-G628 PolarHBondContact O-N 3.45Å; T626-G628 VanDerWaalsContact O-N 3.12Å; T626-G628 PolarHBondContact OG1-N 2.95Å; G628-V630 PolarHBondContact O-N 3.44Å; G628-V630 VanDerWaalsContact O-N 3.11Å |
| 629 | L | 89.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.021 | 51% | 0.509 | C | S | . | . | trans | -69.1 | 104.7 | 175.9 | -60 | 170.4 | 0 | 0 | 0 | 110.3 | P490 P492 V551 W554 F612 V616 T626 G631 L632 | P490-L629 HydrophobicContact CB-CD1 4.17Å; P490-L629 HydrophobicContact CG-CD1 3.99Å; P492-L629 HydrophobicContact CG-CD1 4.19Å; V551-L629 HydrophobicContact CG1-CD2 4.42Å; W554-L629 HydrophobicContact CD2-CB 4.34Å; W554-L629 HydrophobicContact CD2-CD2 4.21Å; W554-L629 HydrophobicContact CE3-CB 4.07Å; W554-L629 HydrophobicContact CE3-CD2 3.44Å; W554-L629 VanDerWaalsContact CE3-CD2 3.44Å; W554-L629 HydrophobicContact CE3-CG 4.26Å; W554-L629 HydrophobicContact CH2-CB 4.08Å; W554-L629 HydrophobicContact CZ2-CB 4.28Å; W554-L629 HydrophobicContact CZ3-CB 3.93Å; W554-L629 HydrophobicContact CZ3-CD2 3.72Å; W554-L629 HydrophobicContact CZ3-CG 4.43Å; F612-L629 HydrophobicContact CE1-CD2 4.01Å; F612-L629 HydrophobicContact CZ-CD2 3.63Å; V616-L629 HydrophobicContact CG1-CD1 4.11Å; V616-L629 HydrophobicContact CG1-CD2 4.26Å; V616-L629 HydrophobicContact CG1-CG 4.15Å; V616-L629 HydrophobicContact CG2-CD2 3.74Å; V616-L629 HydrophobicContact CG2-CG 4.33Å; T626-L629 WeakPolarHBondContact O-CB 3.49Å; T626-L629 WeakPolarHBondContact O-CD1 3.35Å; T626-L629 WeakPolarHBondContact O-CG 3.46Å; T626-L629 PolarHBondContact O-N 2.77Å; L629-G631 PolarHBondContact O-N 3.38Å; L629-G631 VanDerWaalsContact O-N 3.08Å; L629-L632 HydrophobicContact CB-CB 3.89Å; L629-L632 HydrophobicContact CB-CD2 4.07Å; L629-L632 HydrophobicContact CD1-CD2 3.74Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 3.16Å; L629-L632 VanDerWaalsContact O-N 3.13Å | ||
| 630 | V | 82.8 | Confident | 75.7 | Confident | 122 Ų | 122 | 87.7 Ų | 87.7 | 74% | 0.739 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 102.3 | -171 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | W554 G628 | W554-V630 HydrophobicContact CH2-CB 4.12Å; W554-V630 VanDerWaalsContact CH2-O 3.25Å; W554-V630 WeakPolarHBondContact CH2-O 3.49Å; W554-V630 WeakPolarHBondContact CZ2-O 3.33Å; G628-V630 PolarHBondContact O-N 3.44Å; G628-V630 VanDerWaalsContact O-N 3.11Å |
| 631 | G | 79.3 | Confident | 74.7 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -3.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L629 R633 | L629-G631 PolarHBondContact O-N 3.38Å; L629-G631 VanDerWaalsContact O-N 3.08Å; G631-R633 PolarHBondContact O-N 3.29Å; G631-R633 VanDerWaalsContact O-N 3.1Å |
| 632 | L | 83 | Confident | 73.6 | Confident | 27 Ų | 27 | 92.8 Ų | 92.8 | 14% | 0.141 | 54% | 0.541 | C | S | . | . | trans | -61.8 | 111.7 | 163.3 | 179.1 | 63.9 | 0 | 0 | 0 | 108.7 | T489 P490 T626 L629 | T489-L632 HydrophobicContact CG2-CD1 3.67Å; P490-L632 HydrophobicContact CG-CD1 4.18Å; P490-L632 HydrophobicContact CG-CD2 4.25Å; P490-L632 WeakPolarHBondContact O-CD2 3.18Å; T626-L632 HydrophobicContact CG2-CB 4.41Å; T626-L632 HydrophobicContact CG2-CD2 4.42Å; T626-L632 HydrophobicContact CG2-CG 4.37Å; T626-L632 VanDerWaalsContact CG2-O 3.27Å; T626-L632 WeakPolarHBondContact CG2-O 3.36Å; L629-L632 HydrophobicContact CB-CB 3.89Å; L629-L632 HydrophobicContact CB-CD2 4.07Å; L629-L632 HydrophobicContact CD1-CD2 3.74Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 3.16Å; L629-L632 VanDerWaalsContact O-N 3.13Å | ||
| 633 | R | 76.5 | Confident | 72.4 | Confident | 224 Ų | 224 | 89.5 Ų | 89.5 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | trans | -84.4 | 124.3 | 175.5 | -66.5 | -177 | -174.8 | 151.1 | 4.3 | 109.6 | G631 P635 | G631-R633 PolarHBondContact O-N 3.29Å; G631-R633 VanDerWaalsContact O-N 3.1Å; R633-P635 WeakPolarHBondContact O-CD 3.25Å | ||
| 634 | I | 69.4 | Low | 71.3 | Confident | 89 Ų | 89 | 91.7 Ų | 91.7 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | trans | -62.9 | 126.1 | 168.7 | -42.9 | 152.5 | 0 | 0 | 0 | 107.2 | P625 T626 T636 | P625-I634 HydrophobicContact CB-CD1 3.93Å; P625-I634 HydrophobicContact CB-CG1 4.1Å; P625-I634 HydrophobicContact CG-CD1 3.32Å; P625-I634 HydrophobicContact CG-CG1 3.92Å; T626-I634 HydrophobicContact CG2-CD1 4.36Å; T626-I634 HydrophobicContact CG2-CG1 3.59Å; I634-T636 PolarHBondContact O-N 2.85Å | ||
| 635 | P | 57.6 | Low | 70.1 | Confident | 121 Ų | 121 | 93.6 Ų | 93.6 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | trans | -65 | 106.5 | 163.7 | -16.5 | 31.3 | 0 | 0 | 0 | 107.5 | R633 S637 | R633-P635 WeakPolarHBondContact O-CD 3.25Å; P635-S637 PolarHBondContact O-N 3.09Å | ||
| 636 | T | 46.2 | Very low | 69 | Low | 125 Ų | 125 | 97.1 Ų | 97.1 | 77% | 0.767 | 56% | 0.561 | S | S | * | * | trans | -67.8 | 105.3 | 170.8 | 41.9 | 0 | 0 | 0 | 0 | 107.8 | I634 K638 | I634-T636 PolarHBondContact O-N 2.85Å; T636-K638 PolarHBondContact O-N 2.72Å; T636-K638 VanDerWaalsContact O-N 3.13Å | ||
| 637 | S | 46.3 | Very low | 67.5 | Low | 106 Ų | 106 | 103.1 Ų | 103.1 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -53 | 119.9 | 164.3 | 48.4 | 0 | 0 | 0 | 0 | 107.4 | P635 V639 | P635-S637 PolarHBondContact O-N 3.09Å; S637-V639 PolarHBondContact O-N 2.98Å | ||
| 638 | K | 40 | Very low | 65.9 | Low | 208 Ų | 208 | 111.7 Ų | 111.7 | 90% | 0.904 | 65% | 0.645 | S | S | * | * | trans | -62.8 | 125 | 174.7 | -67.8 | -176.9 | 178.6 | -178.4 | 0 | 107.9 | T636 | T636-K638 PolarHBondContact O-N 2.72Å; T636-K638 VanDerWaalsContact O-N 3.13Å | ||
| 639 | V | 33.2 | Very low | 64 | Low | 212 Ų | 212 | 118.7 Ų | 118.7 | 100% | 1.285 | 67% | 0.672 | S | S | * | * | trans | -76.2 | 0 | 162.5 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | S637 | S637-V639 PolarHBondContact O-N 2.98Š|
Retrieved 639 of 639 residues in 1708.7 ms
(Link to these results)