| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34 | Very low | 35.8 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 100% | 1.074 | 81% | 0.805 | S | S | * | * | 0 | 67.1 | 0 | -58 | -174.8 | -171.7 | 0 | 0 | 110.5 | |||||
| 2 | D | 35.5 | Very low | 35.3 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | cis | -153.5 | 141.3 | -17.4 | -73.7 | -48.3 | 0 | 0 | 0 | 107 | ||||
| 3 | I | 37.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | cis | 95.7 | 106.9 | 34.6 | -66.7 | 175 | 0 | 0 | 0 | 113 | ||||
| 4 | K | 39.7 | Very low | 36.2 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 71.4 | 158.4 | 159.2 | -71.3 | 179.2 | 176.3 | 177.4 | 0 | 117.3 | ||||
| 5 | N | 35.3 | Very low | 35.9 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | cis | -153.6 | 160.5 | -1 | -130 | 7 | 0 | 0 | 0 | 112.6 | ||||
| 6 | S | 35.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -98.4 | 167.4 | 151.7 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | P | 49.8 | Very low | 34.9 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -142.7 | 179.2 | 124.3 | 38.7 | -25.6 | 0 | 0 | 0 | 114.1 | |||||
| 8 | S | 35.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -142.6 | 148.6 | -172.4 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 9 | S | 29.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -158.3 | 129 | 161.3 | 49.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 10 | L | 33.1 | Very low | 34 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | 64.7 | 99.1 | 53.4 | -71.2 | 169.3 | 0 | 0 | 0 | 114 | |||||
| 11 | N | 28.3 | Very low | 33.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | -179.6 | 159.9 | 112.5 | -87.1 | -16.1 | 0 | 0 | 0 | 113.6 | |||||
| 12 | S | 30.1 | Very low | 33.5 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -160.8 | -170.1 | 176.1 | 68.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 13 | P | 54.3 | Low | 33.3 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -127.5 | 165 | -36.3 | 36.7 | -22.3 | 0 | 0 | 0 | 113.4 | ||||
| 14 | S | 28.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -173.1 | 135.1 | 155.5 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 15 | S | 31.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | 89.1 | 106.8 | 25.8 | 80.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 16 | Y | 28.1 | Very low | 32.6 | Very low | 246 Ų | 246 | 135.7 Ų | 135.7 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | trans | -158.5 | 174.4 | 151 | -104.6 | -66.1 | 0 | 0 | 0 | 111.2 | ||||
| 17 | N | 28 | Very low | 32.5 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 167 | -143.4 | -149.1 | -4.9 | 0 | 0 | 0 | 116.5 | ||||
| 18 | C | 26.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 155.1 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 19 | S | 29.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -168.1 | 118.1 | 136.3 | -81.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 20 | Q | 30.7 | Very low | 31.4 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 42.9 | 152.7 | 130.8 | -64 | -177.1 | -0.8 | 0 | 0 | 121.9 | ||||
| 21 | S | 28 | Very low | 31.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -142.5 | -151 | 5.4 | 31.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | I | 29.1 | Very low | 31.2 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | cis | -149.2 | 164.4 | 16.1 | -61.5 | 170.6 | 0 | 0 | 0 | 108.3 | ||||
| 23 | L | 31 | Very low | 31.2 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -116.4 | 156.9 | 170.5 | -72.2 | 173 | 0 | 0 | 0 | 112.2 | ||||
| 24 | P | 38.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -132.6 | 177.9 | 108.5 | 23.3 | -5 | 0 | 0 | 0 | 114.6 | |||||
| 25 | L | 31.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -107.1 | 146.6 | -165.4 | -176.7 | 78.1 | 0 | 0 | 0 | 112.1 | ||||
| 26 | E | 28.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | 178.8 | 172.5 | 133.2 | -100 | -65.2 | 140.9 | 0 | 0 | 112 | ||||
| 27 | H | 32.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -83.6 | 145.5 | -156.9 | -70.6 | -75.5 | 0 | 0 | 0 | 117.9 | ||||
| 28 | G | 29.8 | Very low | 29.9 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -172.5 | 116 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I30 | G28-I30 PolarHBondContact O-N 3.41Š| ||
| 29 | S | 30.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 100.8 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 30 | I | 30.2 | Very low | 29.7 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -97.9 | 125.4 | -174.4 | -64 | 178.7 | 0 | 0 | 0 | 112.2 | G28 | G28-I30 PolarHBondContact O-N 3.41Š| ||
| 31 | Y | 27.3 | Very low | 29.7 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 138 | 172 | -143.8 | -100.4 | 0 | 0 | 0 | 109.5 | ||||
| 32 | I | 30.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -119.5 | 114.5 | 174.3 | -60.1 | -178.4 | 0 | 0 | 0 | 109 | ||||
| 33 | P | 29.8 | Very low | 29.7 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 147.9 | 174.7 | -16 | 30.7 | 0 | 0 | 0 | 112.2 | ||||
| 34 | S | 24.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -82.4 | 135.2 | 163.8 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 35 | S | 28.6 | Very low | 29.4 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -148.3 | 94.2 | 177.8 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 36 | Y | 28.7 | Very low | 29.4 | Very low | 225 Ų | 225 | 148 Ų | 148 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -156.3 | 139.8 | 135.7 | -131.4 | -91.3 | 0 | 0 | 0 | 111.8 | ||||
| 37 | V | 32.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 147 Ų | 147 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -135.3 | 134.9 | 172 | 178.4 | 0 | 0 | 0 | 0 | 102.1 | ||||
| 38 | E | 28.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -157 | -171.8 | 43.9 | -134.3 | 148.5 | 165.8 | 0 | 0 | 106.8 | ||||
| 39 | S | 25 | Very low | 29.2 | Very low | 87 Ų | 87 | 154.9 Ų | 154.9 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | cis | -156.3 | 143.1 | 4.8 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 40 | H | 27.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -151.6 | 137 | 158.5 | -89.8 | -66.2 | 0 | 0 | 0 | 109.6 | ||||
| 41 | H | 29.9 | Very low | 29.1 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 158 | -173 | -70.3 | -72.1 | 0 | 0 | 0 | 113.8 | ||||
| 42 | E | 27.3 | Very low | 29.2 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -86.7 | 142.3 | -160 | -55.8 | 163.2 | 113.2 | 0 | 0 | 113.9 | ||||
| 43 | Y | 30.4 | Very low | 29.3 | Very low | 228 Ų | 228 | 146.7 Ų | 146.7 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -143.7 | 133 | 145.6 | -102 | -84.3 | 0 | 0 | 0 | 108.3 | A45 | Y43-A45 PolarHBondContact O-N 3.11Š| ||
| 44 | P | 34.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -78 | 124 | -168.3 | 28.7 | -34.8 | 0 | 0 | 0 | 113.2 | M46 | P44-M46 PolarHBondContact O-N 3.31Š| ||
| 45 | A | 29.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 102.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y43 T47 | Y43-A45 PolarHBondContact O-N 3.11Å; A45-T47 PolarHBondContact O-N 3.31Å | ||
| 46 | M | 30.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 70% | 0.704 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 111.1 | -175.5 | -155.7 | 176.4 | -58 | 0 | 0 | 111.7 | P44 F48 | P44-M46 PolarHBondContact O-N 3.31Å; M46-F48 HydrophobicContact CB-CE2 4.35Å; M46-F48 HydrophobicContact CG-CD2 4.27Å; M46-F48 HydrophobicContact CG-CE2 3.7Å; M46-F48 HydrophobicContact CG-CZ 4.1Å; M46-F48 HydrophobicContact SD-CD2 4.45Å; M46-F48 HydrophobicContact SD-CE2 3.37Å; M46-F48 WeakPolarHBondContact SD-CE2 3.36Å; M46-F48 HydrophobicContact SD-CZ 3.54Å; M46-F48 VanDerWaalsContact SD-CZ 3.54Å | ||
| 47 | T | 30.8 | Very low | 29.2 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 120.9 | 177.9 | 51 | 0 | 0 | 0 | 0 | 111.8 | A45 | A45-T47 PolarHBondContact O-N 3.31Š| ||
| 48 | F | 28.7 | Very low | 29.3 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -127.3 | 114.9 | 171.5 | -77.6 | -66.5 | 0 | 0 | 0 | 112.3 | M46 | M46-F48 HydrophobicContact CB-CE2 4.35Å; M46-F48 HydrophobicContact CG-CD2 4.27Å; M46-F48 HydrophobicContact CG-CE2 3.7Å; M46-F48 HydrophobicContact CG-CZ 4.1Å; M46-F48 HydrophobicContact SD-CD2 4.45Å; M46-F48 HydrophobicContact SD-CE2 3.37Å; M46-F48 WeakPolarHBondContact SD-CE2 3.36Å; M46-F48 HydrophobicContact SD-CZ 3.54Å; M46-F48 VanDerWaalsContact SD-CZ 3.54Å | ||
| 49 | Y | 28.4 | Very low | 29.4 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | trans | -165 | 92.7 | 141.3 | -117.7 | -69.5 | 0 | 0 | 0 | 111.3 | ||||
| 50 | S | 28.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -167.2 | 144.6 | 153.2 | -85 | 0 | 0 | 0 | 0 | 110.1 | ||
| 51 | P | 30.9 | Very low | 29.6 | Very low | 129 Ų | 129 | 149 Ų | 149 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 130 | -170.1 | 31.6 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 52 | A | 29.3 | Very low | 29.7 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 129.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 53 | V | 32.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 125.8 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | N55 | V53-N55 PolarHBondContact O-N 3.24Š|
| 54 | M | 28.5 | Very low | 29.8 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.5 | 174.7 | -81.5 | -174.4 | 165.2 | 0 | 0 | 111 | Y56 | M54-Y56 HydrophobicContact CE-CE2 4.49Å; M54-Y56 HydrophobicContact CG-CE2 4.49Å; M54-Y56 HydrophobicContact SD-CE2 3.85Å |
| 55 | N | 26.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -131.8 | 108.6 | 162.8 | -117.3 | -4.3 | 0 | 0 | 0 | 107.1 | V53 | V53-N55 PolarHBondContact O-N 3.24Š| ||
| 56 | Y | 27.8 | Very low | 29.6 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -83 | 124.3 | 177 | -79 | -88.3 | 0 | 0 | 0 | 110.2 | M54 | M54-Y56 HydrophobicContact CE-CE2 4.49Å; M54-Y56 HydrophobicContact CG-CE2 4.49Å; M54-Y56 HydrophobicContact SD-CE2 3.85Å | ||
| 57 | S | 26.8 | Very low | 29.6 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -117.4 | 117.6 | 166.9 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | I | 34.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 132.4 | 176.1 | -63.6 | 176.2 | 0 | 0 | 0 | 108.1 | ||
| 59 | P | 31.1 | Very low | 30.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 133.5 | 175.3 | 29.4 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 60 | S | 28.4 | Very low | 30.3 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 151.8 | 179.3 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 61 | N | 27.6 | Very low | 30.4 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -142.8 | 160.7 | 164.3 | -130.8 | -13.9 | 0 | 0 | 0 | 109.9 | ||||
| 62 | V | 31.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.715 | 82% | 0.822 | S | S | * | * | trans | -105.6 | 135.7 | -148.9 | 175.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 63 | T | 29.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | trans | -164.6 | 153.9 | 131.6 | 20.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 64 | N | 30.2 | Very low | 30 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | trans | -72.5 | 154.6 | -167.9 | -46.2 | -40.8 | 0 | 0 | 0 | 116.1 | ||||
| 65 | L | 30.8 | Very low | 30 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | -163.6 | -175 | 104.8 | -128 | 82.3 | 0 | 0 | 0 | 112.7 | |||||
| 66 | E | 30.2 | Very low | 30.4 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -94.5 | 164.7 | -158.7 | -54.6 | 167.9 | 103.6 | 0 | 0 | 116.2 | ||||
| 67 | G | 30.1 | Very low | 30.4 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 145 | 94.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 68 | G | 31.1 | Very low | 30.6 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 89.2 | 162.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 69 | P | 41.8 | Very low | 30.5 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -128.9 | 133 | -153 | 36.7 | -18.4 | 0 | 0 | 0 | 118 | ||||
| 70 | G | 28.2 | Very low | 30.4 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | 84.7 | 115.2 | 116.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 71 | R | 32.1 | Very low | 30.6 | Very low | 260 Ų | 260 | 141.9 Ų | 141.9 | 98% | 0.981 | 83% | 0.826 | S | S | * | * | -156.8 | 162.1 | 123.7 | -114.1 | 177.7 | -175.6 | -130.3 | -1.1 | 111.7 | |||||
| 72 | Q | 27.8 | Very low | 30.6 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -113.3 | 150.2 | -168.8 | -57 | 168.9 | 4.1 | 0 | 0 | 112.2 | ||||
| 73 | T | 27.5 | Very low | 31 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 93% | 0.933 | 83% | 0.831 | S | S | * | * | trans | -143.5 | 145.9 | 146 | 29.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 74 | A | 28.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -112.4 | 155.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 75 | S | 28.1 | Very low | 31 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -130.6 | 138.5 | 165 | -69.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 76 | P | 34.3 | Very low | 30.8 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | -85 | 148.4 | -173.3 | 33.2 | -35.1 | 0 | 0 | 0 | 113.3 | ||||
| 77 | N | 27.6 | Very low | 30.7 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -73 | 145.8 | 169.1 | -71.7 | -52.2 | 0 | 0 | 0 | 111.5 | ||||
| 78 | V | 31 | Very low | 31.3 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 70% | 0.703 | 82% | 0.822 | S | S | * | * | trans | -125.6 | 121.7 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 79 | L | 32.4 | Very low | 31.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -86.4 | 140.9 | 177.7 | -66.6 | 87.3 | 0 | 0 | 0 | 110.2 | ||||
| 80 | W | 29.1 | Very low | 30.5 | Very low | 229 Ų | 229 | 140.8 Ų | 140.8 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -105.6 | 131.8 | 165.9 | -71.9 | 123.9 | 0 | 0 | 0 | 110.7 | ||||
| 81 | P | 32.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 151.4 | 167.4 | 8.4 | 6.9 | 0 | 0 | 0 | 111.6 | ||
| 82 | T | 28.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 160.1 | 174.1 | 24.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 83 | P | 39.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85 | 153.1 | -163.5 | 33.4 | -36.9 | 0 | 0 | 0 | 115 | ||
| 84 | G | 26.6 | Very low | 30.1 | Very low | 73 Ų | 73 | 142.6 Ų | 142.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -134.7 | 152.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | H | 33.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -51 | 143.4 | -172.2 | -77.9 | -115.6 | 0 | 0 | 0 | 116.2 | ||||
| 86 | L | 28 | Very low | 29.9 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | -169.5 | 171 | 115.1 | -98.2 | 164.5 | 0 | 0 | 0 | 110.7 | |||||
| 87 | S | 27.5 | Very low | 29.6 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -122.3 | -163.3 | -167.2 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 88 | P | 42.4 | Very low | 29.7 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | -111.8 | -165.8 | -111.1 | 37.8 | -21 | 0 | 0 | 0 | 114.1 | |||||
| 89 | L | 27.3 | Very low | 29.6 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | 108.1 | 138 | -179.1 | -63.7 | 165.9 | 0 | 0 | 0 | 112.7 | ||||
| 90 | A | 28.1 | Very low | 29.2 | Very low | 87 Ų | 87 | 151.4 Ų | 151.4 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | cis | -155.5 | 148.5 | -15.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 91 | V | 29 | Very low | 29 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -109.2 | 113.8 | 168.3 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | R93 | V91-R93 PolarHBondContact O-N 3.12Š| ||
| 92 | H | 26.6 | Very low | 29.1 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -81 | 110.4 | -175.1 | -167.1 | 72.5 | 0 | 0 | 0 | 111 | ||||
| 93 | R | 25.1 | Very low | 28.8 | Very low | 239 Ų | 239 | 148.6 Ų | 148.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -129.7 | 107.3 | 174.6 | -172.9 | -178.1 | -170.8 | 177.5 | 4.2 | 109.1 | V91 | V91-R93 PolarHBondContact O-N 3.12Š| ||
| 94 | Q | 26.7 | Very low | 28.1 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | trans | -105.6 | 135.5 | -176.6 | -156.9 | 169.4 | 12.7 | 0 | 0 | 110.5 | ||||
| 95 | L | 24.4 | Very low | 27.9 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -128 | 145.3 | 175.2 | -158.1 | 76.2 | 0 | 0 | 0 | 109.1 | ||||
| 96 | S | 29.5 | Very low | 28 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -76 | 153 | -168.4 | -43.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | H | 27.6 | Very low | 28 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -136.2 | 165.4 | 154.1 | -102.1 | -92.3 | 0 | 0 | 0 | 110.4 | ||||
| 98 | L | 29.6 | Very low | 27.9 | Very low | 153 Ų | 153 | 151 Ų | 151 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -124.2 | 151.2 | -159.3 | -73.6 | 165.8 | 0 | 0 | 0 | 114.2 | ||||
| 99 | Y | 28.1 | Very low | 27.1 | Very low | 225 Ų | 225 | 152.9 Ų | 152.9 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | 62 | 117.2 | 151.6 | -99.8 | -91.4 | 0 | 0 | 0 | 121.5 | ||||
| 100 | A | 24.2 | Very low | 27 | Very low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -159.4 | 145.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 101 | E | 24.7 | Very low | 26.8 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -143.1 | 166 | 165.8 | -130 | -127.1 | 112.2 | 0 | 0 | 105.4 | Q103 | E101-Q103 PolarHBondContact OE1-N 3.43Å; E101-Q103 VanDerWaalsContact OE1-N 3.11Å | ||
| 102 | P | 33.8 | Very low | 26.5 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -146 | 175.5 | 28 | 42.5 | -21.6 | 0 | 0 | 0 | 120 | ||||
| 103 | Q | 23.2 | Very low | 26.3 | Very low | 158 Ų | 158 | 154 Ų | 154 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 41.6 | 129.4 | 152.5 | -72.1 | -161.6 | -0.9 | 0 | 0 | 123.5 | E101 | E101-Q103 PolarHBondContact OE1-N 3.43Å; E101-Q103 VanDerWaalsContact OE1-N 3.11Å | ||
| 104 | K | 24.2 | Very low | 26.3 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | -171.8 | 160.5 | 99.3 | -101.5 | 177 | -176.8 | 178.2 | 0 | 113.4 | |||||
| 105 | S | 23.6 | Very low | 26.3 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -116 | 175.1 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 106 | P | 35.2 | Very low | 26.3 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | -150 | 136.2 | 108.7 | 34.7 | -16.5 | 0 | 0 | 0 | 117.8 | |||||
| 107 | W | 28.1 | Very low | 26.3 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 44 | 151.7 | 133.2 | -56.7 | 102.2 | 0 | 0 | 0 | 122.9 | E109 | W107-E109 HydrophobicContact CE3-CG 4.24Å; W107-E109 HydrophobicContact CZ3-CG 4.27Å | ||
| 108 | C | 25.4 | Very low | 26.5 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 64% | 0.635 | 78% | 0.779 | S | S | * | * | cis | -139.6 | 145.6 | 9.3 | -105.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 109 | E | 24.8 | Very low | 26.5 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 65.5 | 146 | 90.2 | -61 | -171.2 | 118.2 | 0 | 0 | 116.3 | W107 | W107-E109 HydrophobicContact CE3-CG 4.24Å; W107-E109 HydrophobicContact CZ3-CG 4.27Å | |||
| 110 | A | 25.5 | Very low | 26.4 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | cis | -144.4 | 178.2 | 23.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 111 | R | 23.2 | Very low | 26.7 | Very low | 241 Ų | 241 | 148.4 Ų | 148.4 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -87 | -177 | 162.9 | -50.9 | 178 | 180 | 174 | -0.9 | 109.2 | ||||
| 112 | S | 23.1 | Very low | 26.8 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -165.1 | 164.7 | 8.9 | -158.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 113 | L | 22.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | 157.9 | 150.9 | 126.1 | -163.2 | 61.6 | 0 | 0 | 0 | 111.8 | |||||
| 114 | E | 24.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -87.4 | 165 | 176.8 | -55.3 | 175.7 | 110.6 | 0 | 0 | 112.2 | ||||
| 115 | H | 27.3 | Very low | 27.2 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -179.3 | 127.1 | 131.4 | -103.5 | -68 | 0 | 0 | 0 | 115.5 | ||||
| 116 | T | 23.9 | Very low | 27.5 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 50.4 | 141.5 | 143 | -2.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 117 | L | 29.3 | Very low | 27.1 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 164.4 | 166 | -61 | 170.5 | 0 | 0 | 0 | 112.3 | ||||
| 118 | P | 32.6 | Very low | 27.1 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | -143.9 | -173.3 | 106.1 | 38.6 | -23.6 | 0 | 0 | 0 | 115.9 | |||||
| 119 | V | 28.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 156.6 Ų | 156.6 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -105.1 | 154.1 | -167.6 | 170.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 120 | N | 26.9 | Very low | 27.4 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -145.8 | 165.8 | 147.4 | -149.2 | -6.6 | 0 | 0 | 0 | 113.9 | ||||
| 121 | R | 29.9 | Very low | 27.8 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -97.9 | -169.3 | 179.5 | -64.3 | 159 | 139.5 | -155.1 | 12.3 | 109.1 | ||||
| 122 | E | 28.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 151 Ų | 151 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | cis | -161 | 157.2 | 16 | -151.7 | 137.7 | -131 | 0 | 0 | 113.7 | ||||
| 123 | T | 28.3 | Very low | 28.6 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 16.2 | 138.4 | 159.6 | 56.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 124 | L | 30.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | -148 | 157.5 | 115.4 | -154 | 66.2 | 0 | 0 | 0 | 112.1 | |||||
| 125 | K | 28.9 | Very low | 29.4 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -122.7 | 145.5 | 179.9 | -61.3 | 173.6 | -177.2 | 170.3 | 0 | 111.7 | ||||
| 126 | R | 29.9 | Very low | 30.2 | Very low | 258 Ų | 258 | 144.9 Ų | 144.9 | 97% | 0.974 | 79% | 0.785 | S | S | * | * | trans | -156.4 | 171.1 | 135.5 | -117.7 | 169.9 | 178.7 | 130.3 | 0.1 | 112 | ||||
| 127 | K | 27.9 | Very low | 30.9 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -154.3 | 141 | -153.8 | 170.7 | -166.1 | 177.7 | -171.3 | 0 | 110.2 | ||||
| 128 | V | 28.7 | Very low | 31.1 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 167.8 | 153.2 | 151.8 | 142.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 129 | S | 27.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -171.4 | 156.1 | -42.1 | -153.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 130 | G | 29.1 | Very low | 31.9 | Very low | 59 Ų | 59 | 142.3 Ų | 142.3 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | 106.8 | 106.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 131 | N | 31.9 | Very low | 32.4 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 96.1 | 127.2 | 64.7 | -77.1 | 15 | 0 | 0 | 0 | 110.5 | |||||
| 132 | H | 33.3 | Very low | 32.9 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | cis | -147 | 164.4 | 2.5 | -134.7 | -81.3 | 0 | 0 | 0 | 112.5 | ||||
| 133 | C | 30 | Very low | 33.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -71.6 | 165.3 | -178 | -42 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 134 | T | 29.8 | Very low | 35.1 | Very low | 140 Ų | 140 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | -142.1 | 156.9 | 58 | 43.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 135 | S | 33.8 | Very low | 36.7 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -120.8 | 172.7 | 174.8 | -45.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 136 | P | 44.4 | Very low | 39 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | -109.6 | 154.8 | 110.6 | -15.7 | 32.3 | 0 | 0 | 0 | 113.3 | |||||
| 137 | V | 38.8 | Very low | 41.9 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -115.8 | 133 | -178.9 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 138 | T | 33.3 | Very low | 45.2 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -151.6 | 118.8 | 155.1 | 1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 139 | S | 32.5 | Very low | 48.4 | Very low | 88 Ų | 88 | 116.4 Ų | 116.4 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | trans | 62.9 | 121.7 | 164 | 75.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 140 | P | 46.3 | Very low | 51.7 | Low | 141 Ų | 141 | 114 Ų | 114 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | trans | -85.4 | 102.7 | 159.4 | 32.7 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 141 | S | 36.8 | Very low | 55 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | trans | -116.7 | 108.5 | -177.9 | 49.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | S | 40.9 | Very low | 58.1 | Low | 94 Ų | 94 | 104.3 Ų | 104.3 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | trans | 59.5 | 130.8 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 118.1 | R144 | S142-R144 VanDerWaalsContact C-N 3.3Å; S142-R144 PolarHBondContact O-N 2.99Å; S142-R144 VanDerWaalsContact OG-CG 3.29Å; S142-R144 WeakPolarHBondContact OG-CG 3.47Å | ||
| 143 | K | 48.5 | Very low | 61.1 | Low | 215 Ų | 215 | 100.8 Ų | 100.8 | 94% | 0.935 | 59% | 0.593 | S | S | * | * | trans | -67.1 | 94 | 152.8 | -71.4 | -178 | 179.6 | 179.3 | 0 | 107 | ||||
| 144 | R | 54.2 | Low | 64.2 | Low | 212 Ų | 212 | 96.9 Ų | 96.9 | 80% | 0.8 | 57% | 0.565 | S | S | * | * | trans | -78.9 | 126.9 | 169.8 | -64 | -173.3 | -70.2 | -161.8 | -3.9 | 108.1 | S142 A146 | S142-R144 VanDerWaalsContact C-N 3.3Å; S142-R144 PolarHBondContact O-N 2.99Å; S142-R144 VanDerWaalsContact OG-CG 3.29Å; S142-R144 WeakPolarHBondContact OG-CG 3.47Å; R144-A146 PolarHBondContact O-N 3.11Å; R144-A146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | D | 65.1 | Low | 67.4 | Low | 133 Ų | 133 | 97.4 Ų | 97.4 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | trans | -59.5 | 117.4 | 177 | -63.5 | -58.5 | 0 | 0 | 0 | 110.1 | H147 | D145-H147 VanDerWaalsContact C-N 3.35Å; D145-H147 PolarHBondContact O-N 3.15Å | ||
| 146 | A | 76.5 | Confident | 70.4 | Confident | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | trans | -78.1 | 84.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R144 F148 Y155 | R144-A146 PolarHBondContact O-N 3.11Å; R144-A146 VanDerWaalsContact O-N 3.13Å; A146-F148 WeakPolarHBondContact O-CD2 3.4Å; A146-F148 WeakPolarHBondContact O-CE2 3.4Å; A146-F148 PolarHBondContact O-N 3.46Å; A146-Y155 HydrophobicContact CB-CD1 4.44Å; A146-Y155 HydrophobicContact CB-CE1 4.23Å | ||
| 147 | H | 90.3 | Very high | 72.8 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 40% | 0.398 | 51% | 0.509 | S | S | . | . | trans | -60.9 | 136.7 | 177.8 | -60.5 | -59.2 | 0 | 0 | 0 | 111.7 | D145 A156 W164 | D145-H147 VanDerWaalsContact C-N 3.35Å; D145-H147 PolarHBondContact O-N 3.15Å; H147-A156 HydrophobicContact CB-CB 4.27Å; H147-A156 VanDerWaalsContact O-CB 3.24Å; H147-A156 WeakPolarHBondContact O-CB 3.26Å; H147-A156 PolarHBondContact O-N 2.96Å; H147-W164 HydrophobicContact CB-CB 4.49Å; H147-W164 HydrophobicContact CB-CD2 3.82Å; H147-W164 HydrophobicContact CB-CE3 3.81Å; H147-W164 HydrophobicContact CB-CG 4.13Å; H147-W164 HydrophobicContact CB-CZ3 4.33Å; H147-W164 AromaticContact CD2-CD2 3.92Å; H147-W164 AromaticContact CD2-CE2 3.67Å; H147-W164 AromaticContact CD2-CE3 3.85Å; H147-W164 AromaticContact CD2-CH2 3.35Å; H147-W164 WeakPolarHBondContact CD2-CH2 3.28Å; H147-W164 AromaticContact CD2-CZ2 3.4Å; H147-W164 VanDerWaalsContact CD2-CZ2 3.4Å; H147-W164 WeakPolarHBondContact CD2-CZ2 3.3Å; H147-W164 AromaticContact CD2-CZ3 3.57Å; H147-W164 AromaticContact CG-CD2 3.83Å; H147-W164 AromaticContact CG-CE2 3.84Å; H147-W164 AromaticContact NE2-CE2 3.95Å; H147-W164 AromaticContact NE2-CH2 3.77Å; H147-W164 AromaticContact NE2-CZ2 3.5Å; H147-W164 WeakPolarHBondContact NE2-CZ2 3.28Å | ||
| 148 | F | 96.6 | Very high | 75.4 | Confident | 116 Ų | 116 | 85.3 Ų | 85.3 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 152.7 | 176.9 | -65.5 | -80.8 | 0 | 0 | 0 | 111.6 | A146 A150 S153 Y155 | A146-F148 WeakPolarHBondContact O-CD2 3.4Å; A146-F148 WeakPolarHBondContact O-CE2 3.4Å; A146-F148 PolarHBondContact O-N 3.46Å; F148-A150 PolarHBondContact O-N 3.37Å; F148-S153 WeakPolarHBondContact CD1-O 3.46Å; F148-Y155 HydrophobicContact CD1-CD1 4.34Å; F148-Y155 AromaticContact CE1-CD1 3.91Å; F148-Y155 HydrophobicContact CE1-CD1 3.91Å; F148-Y155 AromaticContact CE1-CE1 3.67Å; F148-Y155 HydrophobicContact CE1-CE1 3.67Å; F148-Y155 HydrophobicContact CZ-CE1 4.04Å |
| 149 | C | 97.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.007 | 47% | 0.469 | C | S | . | . | trans | -72.8 | 112.3 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | V151 C152 S153 D154 W164 C166 | C149-V151 PolarHBondContact O-N 3.18Å; C149-C152 PolarHBondContact O-N 2.89Å; C149-S153 WeakPolarHBondContact O-CA 3.39Å; C149-S153 PolarHBondContact O-N 3.2Å; C149-D154 WeakPolarHBondContact CB-O 3.4Å; C149-D154 PolarHBondContact N-O 3.42Å; C149-W164 WeakPolarHBondContact CA-O 3.38Å; C149-C166 HydrophobicContact CB-CB 3.98Å; C149-C166 PolarHBondContact SG-N 3.02Å | ||
| 150 | A | 96.9 | Very high | 81.2 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F148 W164 V212 | F148-A150 PolarHBondContact O-N 3.37Å; A150-W164 PolarHBondContact N-O 3.26Å; A150-V212 HydrophobicContact CB-CB 4Å; A150-V212 HydrophobicContact CB-CG1 4.08Å; A150-V212 HydrophobicContact CB-CG2 4.16Å |
| 151 | V | 97.6 | Very high | 83.5 | Confident | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -28.5 | -178.6 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | C149 C169 I193 R205 K208 V212 M214 | C149-V151 PolarHBondContact O-N 3.18Å; V151-C169 HydrophobicContact CB-CB 4.31Å; V151-C169 HydrophobicContact CG1-CB 4.45Å; V151-C169 HydrophobicContact CG2-CB 4.46Å; V151-I193 HydrophobicContact CG1-CG2 4.38Å; V151-I193 VanDerWaalsContact O-CG2 3.26Å; V151-I193 WeakPolarHBondContact O-CG2 3.47Å; V151-R205 HydrophobicContact CG1-CG 4.43Å; V151-K208 HydrophobicContact CG1-CB 4.38Å; V151-K208 HydrophobicContact CG1-CG 4.36Å; V151-V212 HydrophobicContact CG2-CG2 3.63Å; V151-M214 HydrophobicContact CG2-SD 3.67Å |
| 152 | C | 96.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.014 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -156.6 | 10.4 | -168.2 | 68.7 | 0 | 0 | 0 | 0 | 116.5 | C149 D154 I193 D194 K195 R198 | C149-C152 PolarHBondContact O-N 2.89Å; C152-D154 PolarHBondContact O-N 3.11Å; C152-I193 HydrophobicContact CB-CG2 4.06Å; C152-D194 CarbonylContact O-C 3.59Å; C152-K195 PolarHBondContact O-N 3.33Å; C152-K195 VanDerWaalsContact O-N 3.11Å; C152-R198 HydrophobicContact CB-CB 4.43Å; C152-R198 PolarHBondContact SG-NH1 2.95Å |
| 153 | S | 95.9 | Very high | 88.7 | Confident | 91 Ų | 91 | 73.1 Ų | 73.1 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 57.5 | 11.6 | 176.9 | -50.1 | 0 | 0 | 0 | 0 | 117.1 | F148 C149 | F148-S153 WeakPolarHBondContact CD1-O 3.46Å; C149-S153 WeakPolarHBondContact O-CA 3.39Å; C149-S153 PolarHBondContact O-N 3.2Å |
| 154 | D | 96 | Very high | 91 | Very high | 22 Ų | 22 | 68 Ų | 68 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -72 | 160.4 | 165.5 | -162.2 | 7.9 | 0 | 0 | 0 | 110.7 | C149 C152 A156 C166 K195 R198 | C149-D154 WeakPolarHBondContact CB-O 3.4Å; C149-D154 PolarHBondContact N-O 3.42Å; C152-D154 PolarHBondContact O-N 3.11Å; D154-A156 PolarHBondContact O-N 3.32Å; D154-C166 HydrophobicContact CB-CB 4.37Å; D154-K195 HydrophobicContact CB-CB 4.31Å; D154-K195 HydrophobicContact CB-CD 4.18Å; D154-K195 HydrophobicContact CB-CG 4.15Å; D154-K195 WeakPolarHBondContact OD1-CD 3.23Å; D154-K195 WeakPolarHBondContact OD1-CE 3.41Å; D154-K195 IonicContact OD1-NZ 2.65Å; D154-K195 PolarHBondContact OD1-NZ 3.25Å; D154-R198 IonicContact OD2-CZ 2.77Å; D154-R198 IonicContact OD2-NH1 3.84Å; D154-R198 PolarHBondContact OD2-NH1 3.48Å; D154-R198 IonicContact OD2-NH2 2.98Å; D154-R198 PolarHBondContact OD2-NH2 3.27Å |
| 155 | Y | 96.8 | Very high | 93.1 | Very high | 151 Ų | 151 | 57.9 Ų | 57.9 | 59% | 0.592 | 31% | 0.31 | S | S | * | . | B | Isolated β-bridge | trans | -59.1 | 131.2 | 179.5 | -71 | -76 | 0 | 0 | 0 | 111.7 | A146 F148 C166 | A146-Y155 HydrophobicContact CB-CD1 4.44Å; A146-Y155 HydrophobicContact CB-CE1 4.23Å; F148-Y155 HydrophobicContact CD1-CD1 4.34Å; F148-Y155 AromaticContact CE1-CD1 3.91Å; F148-Y155 HydrophobicContact CE1-CD1 3.91Å; F148-Y155 AromaticContact CE1-CE1 3.67Å; F148-Y155 HydrophobicContact CE1-CE1 3.67Å; F148-Y155 HydrophobicContact CZ-CE1 4.04Å; Y155-C166 WeakPolarHBondContact O-CB 3.32Å |
| 156 | A | 96.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -75 | 137.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H147 D154 W164 S165 | H147-A156 HydrophobicContact CB-CB 4.27Å; H147-A156 VanDerWaalsContact O-CB 3.24Å; H147-A156 WeakPolarHBondContact O-CB 3.26Å; H147-A156 PolarHBondContact O-N 2.96Å; D154-A156 PolarHBondContact O-N 3.32Å; A156-W164 HydrophobicContact CB-CB 4.24Å; A156-W164 HydrophobicContact CB-CE3 4.24Å; A156-S165 WeakPolarHBondContact CA-O 3.41Å |
| 157 | S | 95.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | trans | -88.7 | -12.4 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | H160 S165 E167 | S157-H160 PolarHBondContact OG-NE2 3.16Å; S157-S165 PolarHBondContact N-O 3.3Å; S157-S165 PolarHBondContact OG-O 3.49Å; S157-E167 VanDerWaalsContact CB-OE1 3.3Å; S157-E167 WeakPolarHBondContact CB-OE1 3.44Å; S157-E167 PolarHBondContact OG-N 3.48Å; S157-E167 PolarHBondContact OG-OE1 3.18Å | ||
| 158 | G | 92.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -170.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H160 S165 | G158-H160 PolarHBondContact N-NE2 3.17Å; G158-H160 PolarHBondContact O-CD2 3.45Å; G158-S165 PolarHBondContact O-N 3.17Å |
| 159 | Y | 94 | Very high | 96 | Very high | 149 Ų | 149 | 45.3 Ų | 45.3 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 102.4 | 175.1 | -168.6 | -99.5 | 0 | 0 | 0 | 108.8 | G162 V163 W164 | Y159-G162 WeakPolarHBondContact CE2-O 3.46Å; Y159-G162 PolarHBondContact OH-O 3.35Å; Y159-V163 CarbonylContact C-O 3.56Å; Y159-V163 WeakPolarHBondContact CA-O 3.44Å; Y159-V163 VanDerWaalsContact CD2-C 3.47Å; Y159-W164 HydrophobicContact CD2-CD2 4.18Å; Y159-W164 HydrophobicContact CD2-CG 4.11Å |
| 160 | H | 94.4 | Very high | 96 | Very high | 38 Ų | 38 | 48 Ų | 48 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.5 | -175.3 | -47.2 | -82.3 | 0 | 0 | 0 | 109.9 | S157 G158 G162 V163 S165 E167 K170 | S157-H160 PolarHBondContact OG-NE2 3.16Å; G158-H160 PolarHBondContact N-NE2 3.17Å; G158-H160 PolarHBondContact O-CD2 3.45Å; H160-G162 PolarHBondContact O-N 2.86Å; H160-V163 PolarHBondContact N-O 3.2Å; H160-V163 PolarHBondContact O-N 2.99Å; H160-V163 VanDerWaalsContact O-N 3.09Å; H160-V163 VanDerWaalsContact O-O 3.07Å; H160-S165 WeakPolarHBondContact CB-OG 3.48Å; H160-S165 PolarHBondContact CD2-O 3.19Å; H160-S165 PolarHBondContact CD2-OG 2.93Å; H160-E167 IonicContact CE1-OE1 3.12Å; H160-E167 IonicContact NE2-OE1 3.01Å; H160-K170 HydrophobicContact CB-CB 4.24Å; H160-K170 HydrophobicContact CB-CD 4.38Å; H160-K170 HydrophobicContact CB-CG 3.92Å; H160-K170 VanDerWaalsContact ND1-CE 3.31Å; H160-K170 WeakPolarHBondContact ND1-CE 3.32Å |
| 161 | Y | 93.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23.4 | 178.8 | -57.4 | -74 | 0 | 0 | 0 | 114.8 | K170 F173 K174 I177 M214 V215 | Y161-K170 HydrophobicContact CD2-CG 4.49Å; Y161-K170 HydrophobicContact CE2-CG 3.96Å; Y161-F173 AromaticContact CD1-CD1 3.98Å; Y161-F173 HydrophobicContact CD1-CD1 3.98Å; Y161-F173 AromaticContact CD1-CE1 3.97Å; Y161-F173 HydrophobicContact CD1-CE1 3.97Å; Y161-F173 AromaticContact CD2-CD1 3.75Å; Y161-F173 HydrophobicContact CD2-CD1 3.75Å; Y161-F173 HydrophobicContact CD2-CE1 4.43Å; Y161-F173 HydrophobicContact CE1-CD1 4.41Å; Y161-F173 HydrophobicContact CE2-CD1 4.19Å; Y161-F173 AromaticContact CG-CD1 3.63Å; Y161-F173 HydrophobicContact CG-CD1 3.63Å; Y161-F173 AromaticContact CG-CE1 3.85Å; Y161-F173 HydrophobicContact CG-CE1 3.85Å; Y161-K174 WeakPolarHBondContact OH-CB 3.36Å; Y161-K174 WeakPolarHBondContact OH-CG 3.46Å; Y161-I177 HydrophobicContact CE1-CD1 4.13Å; Y161-M214 HydrophobicContact CD2-CE 3.83Å; Y161-M214 HydrophobicContact CG-CE 4.31Å; Y161-M214 CarbonylContact O-C 3.23Å; Y161-M214 WeakPolarHBondContact O-CA 3.37Å; Y161-V215 WeakPolarHBondContact CB-O 3.4Å; Y161-V215 WeakPolarHBondContact CD1-O 3.35Å; Y161-V215 PolarHBondContact O-N 2.97Å |
| 162 | G | 91.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 4.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y159 H160 | Y159-G162 WeakPolarHBondContact CE2-O 3.46Å; Y159-G162 PolarHBondContact OH-O 3.35Å; H160-G162 PolarHBondContact O-N 2.86Å |
| 163 | V | 95.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.2 | 177.8 | -45 | 0 | 0 | 0 | 0 | 113.3 | Y159 H160 S165 V212 M214 | Y159-V163 CarbonylContact C-O 3.56Å; Y159-V163 WeakPolarHBondContact CA-O 3.44Å; Y159-V163 VanDerWaalsContact CD2-C 3.47Å; H160-V163 PolarHBondContact N-O 3.2Å; H160-V163 PolarHBondContact O-N 2.99Å; H160-V163 VanDerWaalsContact O-N 3.09Å; H160-V163 VanDerWaalsContact O-O 3.07Å; V163-S165 PolarHBondContact O-N 2.89Å; V163-S165 PolarHBondContact O-OG 3.2Å; V163-V212 HydrophobicContact CG1-CG2 4.11Å; V163-V212 WeakPolarHBondContact CG1-O 3.38Å; V163-V212 HydrophobicContact CG2-CG2 4.28Å; V163-M214 HydrophobicContact CB-CG 4.43Å; V163-M214 HydrophobicContact CG1-CG 4.03Å; V163-M214 HydrophobicContact CG2-CE 4.14Å; V163-M214 HydrophobicContact CG2-CG 3.48Å; V163-M214 VanDerWaalsContact CG2-CG 3.48Å; V163-M214 HydrophobicContact CG2-SD 3.99Å |
| 164 | W | 97.2 | Very high | 95.7 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 116.2 | 163.9 | -71.7 | 109.1 | 0 | 0 | 0 | 109.7 | H147 C149 A150 A156 Y159 | H147-W164 HydrophobicContact CB-CB 4.49Å; H147-W164 HydrophobicContact CB-CD2 3.82Å; H147-W164 HydrophobicContact CB-CE3 3.81Å; H147-W164 HydrophobicContact CB-CG 4.13Å; H147-W164 HydrophobicContact CB-CZ3 4.33Å; H147-W164 AromaticContact CD2-CD2 3.92Å; H147-W164 AromaticContact CD2-CE2 3.67Å; H147-W164 AromaticContact CD2-CE3 3.85Å; H147-W164 AromaticContact CD2-CH2 3.35Å; H147-W164 WeakPolarHBondContact CD2-CH2 3.28Å; H147-W164 AromaticContact CD2-CZ2 3.4Å; H147-W164 VanDerWaalsContact CD2-CZ2 3.4Å; H147-W164 WeakPolarHBondContact CD2-CZ2 3.3Å; H147-W164 AromaticContact CD2-CZ3 3.57Å; H147-W164 AromaticContact CG-CD2 3.83Å; H147-W164 AromaticContact CG-CE2 3.84Å; H147-W164 AromaticContact NE2-CE2 3.95Å; H147-W164 AromaticContact NE2-CH2 3.77Å; H147-W164 AromaticContact NE2-CZ2 3.5Å; H147-W164 WeakPolarHBondContact NE2-CZ2 3.28Å; C149-W164 WeakPolarHBondContact CA-O 3.38Å; A150-W164 PolarHBondContact N-O 3.26Å; A156-W164 HydrophobicContact CB-CB 4.24Å; A156-W164 HydrophobicContact CB-CE3 4.24Å; Y159-W164 HydrophobicContact CD2-CD2 4.18Å; Y159-W164 HydrophobicContact CD2-CG 4.11Å |
| 165 | S | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 154.7 | -174.1 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | A156 S157 G158 H160 V163 | A156-S165 WeakPolarHBondContact CA-O 3.41Å; S157-S165 PolarHBondContact N-O 3.3Å; S157-S165 PolarHBondContact OG-O 3.49Å; G158-S165 PolarHBondContact O-N 3.17Å; H160-S165 WeakPolarHBondContact CB-OG 3.48Å; H160-S165 PolarHBondContact CD2-O 3.19Å; H160-S165 PolarHBondContact CD2-OG 2.93Å; V163-S165 PolarHBondContact O-N 2.89Å; V163-S165 PolarHBondContact O-OG 3.2Å |
| 166 | C | 97.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | trans | -85.6 | 155.8 | 173.8 | 67.8 | 0 | 0 | 0 | 0 | 111 | C149 D154 Y155 G168 C169 K170 R198 | C149-C166 HydrophobicContact CB-CB 3.98Å; C149-C166 PolarHBondContact SG-N 3.02Å; D154-C166 HydrophobicContact CB-CB 4.37Å; Y155-C166 WeakPolarHBondContact O-CB 3.32Å; C166-G168 PolarHBondContact O-N 3.36Å; C166-G168 VanDerWaalsContact O-N 3.09Å; C166-C169 PolarHBondContact O-N 3.39Å; C166-K170 PolarHBondContact O-N 3.28Å; C166-R198 PolarHBondContact SG-NH1 2.88Å | ||
| 167 | E | 97.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -49.8 | -38.2 | 175.6 | -68.7 | -55.8 | 117.4 | 0 | 0 | 112.4 | S157 H160 C169 K170 A171 | S157-E167 VanDerWaalsContact CB-OE1 3.3Å; S157-E167 WeakPolarHBondContact CB-OE1 3.44Å; S157-E167 PolarHBondContact OG-N 3.48Å; S157-E167 PolarHBondContact OG-OE1 3.18Å; H160-E167 IonicContact CE1-OE1 3.12Å; H160-E167 IonicContact NE2-OE1 3.01Å; E167-C169 VanDerWaalsContact C-N 3.33Å; E167-C169 PolarHBondContact O-N 2.97Å; E167-K170 PolarHBondContact O-N 2.88Å; E167-K170 VanDerWaalsContact OE1-CD 3.31Å; E167-K170 WeakPolarHBondContact OE1-CD 3.5Å; E167-K170 IonicContact OE1-NZ 3.54Å; E167-K170 PolarHBondContact OE1-NZ 3.49Å; E167-K170 VanDerWaalsContact OE2-CD 3.29Å; E167-K170 WeakPolarHBondContact OE2-CD 3.39Å; E167-K170 WeakPolarHBondContact OE2-CE 3.19Å; E167-K170 IonicContact OE2-NZ 2.65Å; E167-K170 PolarHBondContact OE2-NZ 3.5Å; E167-A171 VanDerWaalsContact O-CB 3.23Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.96Å |
| 168 | G | 97.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -34 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C166 F172 R205 | C166-G168 PolarHBondContact O-N 3.36Å; C166-G168 VanDerWaalsContact O-N 3.09Å; G168-F172 WeakPolarHBondContact O-CB 3.4Å; G168-F172 PolarHBondContact O-N 3.44Å; G168-R205 PolarHBondContact O-NH2 2.66Å |
| 169 | C | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -89.2 | -39.2 | 176.7 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | V151 C166 E167 A171 F172 F173 R205 | V151-C169 HydrophobicContact CB-CB 4.31Å; V151-C169 HydrophobicContact CG1-CB 4.45Å; V151-C169 HydrophobicContact CG2-CB 4.46Å; C166-C169 PolarHBondContact O-N 3.39Å; E167-C169 VanDerWaalsContact C-N 3.33Å; E167-C169 PolarHBondContact O-N 2.97Å; C169-A171 PolarHBondContact O-N 3.24Å; C169-F172 PolarHBondContact O-N 2.97Å; C169-F173 VanDerWaalsContact O-CB 3.31Å; C169-F173 WeakPolarHBondContact O-CB 3.29Å; C169-F173 PolarHBondContact O-N 3.47Å; C169-R205 PolarHBondContact SG-NH2 2.96Å |
| 170 | K | 96.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.8 | -51.6 | 169.7 | 172 | -157.9 | -174.1 | -174.4 | 0 | 112.1 | H160 Y161 C166 E167 K174 | H160-K170 HydrophobicContact CB-CB 4.24Å; H160-K170 HydrophobicContact CB-CD 4.38Å; H160-K170 HydrophobicContact CB-CG 3.92Å; H160-K170 VanDerWaalsContact ND1-CE 3.31Å; H160-K170 WeakPolarHBondContact ND1-CE 3.32Å; Y161-K170 HydrophobicContact CD2-CG 4.49Å; Y161-K170 HydrophobicContact CE2-CG 3.96Å; C166-K170 PolarHBondContact O-N 3.28Å; E167-K170 PolarHBondContact O-N 2.88Å; E167-K170 VanDerWaalsContact OE1-CD 3.31Å; E167-K170 WeakPolarHBondContact OE1-CD 3.5Å; E167-K170 IonicContact OE1-NZ 3.54Å; E167-K170 PolarHBondContact OE1-NZ 3.49Å; E167-K170 VanDerWaalsContact OE2-CD 3.29Å; E167-K170 WeakPolarHBondContact OE2-CD 3.39Å; E167-K170 WeakPolarHBondContact OE2-CE 3.19Å; E167-K170 IonicContact OE2-NZ 2.65Å; E167-K170 PolarHBondContact OE2-NZ 3.5Å; K170-K174 PolarHBondContact O-N 3.38Å |
| 171 | A | 95.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 55.5 Ų | 55.5 | 34% | 0.339 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.9 | -28.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E167 C169 R175 | E167-A171 VanDerWaalsContact O-CB 3.23Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.96Å; C169-A171 PolarHBondContact O-N 3.24Å; A171-R175 PolarHBondContact O-NH1 3.45Å |
| 172 | F | 97.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -57.6 | 169.7 | 170.8 | -102.7 | 0 | 0 | 0 | 110.1 | G168 C169 K174 R175 S176 Y183 Q202 R205 L206 | G168-F172 WeakPolarHBondContact O-CB 3.4Å; G168-F172 PolarHBondContact O-N 3.44Å; C169-F172 PolarHBondContact O-N 2.97Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.5Å; F172-R175 PolarHBondContact O-N 3.24Å; F172-S176 PolarHBondContact O-N 2.9Å; F172-S176 PolarHBondContact O-OG 3.34Å; F172-S176 VanDerWaalsContact O-OG 3.08Å; F172-Y183 AromaticContact CE2-CE2 3.87Å; F172-Y183 HydrophobicContact CE2-CE2 3.87Å; F172-Y183 HydrophobicContact CZ-CD2 4.3Å; F172-Y183 AromaticContact CZ-CE2 3.64Å; F172-Y183 HydrophobicContact CZ-CE2 3.64Å; F172-Q202 HydrophobicContact CE2-CB 4.2Å; F172-Q202 HydrophobicContact CE2-CG 4.25Å; F172-Q202 HydrophobicContact CZ-CB 4.28Å; F172-Q202 WeakPolarHBondContact CZ-O 3.37Å; F172-R205 HydrophobicContact CD1-CG 3.92Å; F172-R205 HydrophobicContact CE1-CB 3.96Å; F172-R205 HydrophobicContact CE1-CG 3.61Å; F172-R205 HydrophobicContact CZ-CB 4.15Å; F172-R205 HydrophobicContact CZ-CG 4.19Å; F172-L206 HydrophobicContact CE1-CB 4.02Å; F172-L206 HydrophobicContact CE1-CD1 4.49Å; F172-L206 HydrophobicContact CZ-CB 4.13Å |
| 173 | F | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.7 | -45.2 | -179.7 | -170.6 | -109.9 | 0 | 0 | 0 | 112 | Y161 C169 R175 S176 I177 L206 C209 Y210 M214 | Y161-F173 AromaticContact CD1-CD1 3.98Å; Y161-F173 HydrophobicContact CD1-CD1 3.98Å; Y161-F173 AromaticContact CD1-CE1 3.97Å; Y161-F173 HydrophobicContact CD1-CE1 3.97Å; Y161-F173 AromaticContact CD2-CD1 3.75Å; Y161-F173 HydrophobicContact CD2-CD1 3.75Å; Y161-F173 HydrophobicContact CD2-CE1 4.43Å; Y161-F173 HydrophobicContact CE1-CD1 4.41Å; Y161-F173 HydrophobicContact CE2-CD1 4.19Å; Y161-F173 AromaticContact CG-CD1 3.63Å; Y161-F173 HydrophobicContact CG-CD1 3.63Å; Y161-F173 AromaticContact CG-CE1 3.85Å; Y161-F173 HydrophobicContact CG-CE1 3.85Å; C169-F173 VanDerWaalsContact O-CB 3.31Å; C169-F173 WeakPolarHBondContact O-CB 3.29Å; C169-F173 PolarHBondContact O-N 3.47Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.34Å; F173-S176 PolarHBondContact O-N 3.08Å; F173-I177 HydrophobicContact CD1-CD1 3.86Å; F173-I177 HydrophobicContact CD1-CG2 4.32Å; F173-I177 HydrophobicContact CD2-CG2 4.13Å; F173-I177 HydrophobicContact CE1-CD1 3.72Å; F173-I177 HydrophobicContact CE1-CG2 4.01Å; F173-I177 HydrophobicContact CE2-CG2 3.8Å; F173-I177 HydrophobicContact CG-CG2 4.38Å; F173-I177 HydrophobicContact CZ-CD1 4.44Å; F173-I177 HydrophobicContact CZ-CG2 3.73Å; F173-I177 WeakPolarHBondContact O-CG1 3.38Å; F173-I177 WeakPolarHBondContact O-CG2 3.36Å; F173-I177 PolarHBondContact O-N 3.46Å; F173-L206 HydrophobicContact CD2-CD1 4.02Å; F173-L206 HydrophobicContact CE2-CD1 4.28Å; F173-C209 HydrophobicContact CD2-CB 3.51Å; F173-C209 HydrophobicContact CE2-CB 3.88Å; F173-C209 HydrophobicContact CG-CB 4.43Å; F173-Y210 AromaticContact CE2-CD1 3.85Å; F173-Y210 HydrophobicContact CE2-CD1 3.85Å; F173-Y210 AromaticContact CE2-CE1 3.52Å; F173-Y210 HydrophobicContact CE2-CE1 3.52Å; F173-Y210 HydrophobicContact CZ-CD1 4.18Å; F173-Y210 AromaticContact CZ-CE1 3.79Å; F173-Y210 HydrophobicContact CZ-CE1 3.79Å; F173-M214 HydrophobicContact CB-CE 4.16Å; F173-M214 HydrophobicContact CB-SD 4.43Å; F173-M214 HydrophobicContact CD1-CB 4.12Å; F173-M214 HydrophobicContact CD1-CE 4.19Å; F173-M214 HydrophobicContact CD2-CB 4.12Å; F173-M214 HydrophobicContact CE1-CB 3.79Å; F173-M214 HydrophobicContact CE2-CB 3.79Å; F173-M214 HydrophobicContact CG-CB 4.27Å; F173-M214 HydrophobicContact CG-CE 4.21Å; F173-M214 HydrophobicContact CG-SD 4.32Å; F173-M214 VanDerWaalsContact CZ-C 3.47Å; F173-M214 HydrophobicContact CZ-CB 3.62Å; F173-M214 WeakPolarHBondContact CZ-O 3.43Å |
| 174 | K | 93.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.4 | -44.7 | 175.5 | -171 | -177.2 | 175 | -173.3 | 0 | 113 | Y161 K170 F172 Q178 | Y161-K174 WeakPolarHBondContact OH-CB 3.36Å; Y161-K174 WeakPolarHBondContact OH-CG 3.46Å; K170-K174 PolarHBondContact O-N 3.38Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.5Å; K174-Q178 WeakPolarHBondContact O-CB 3.32Å; K174-Q178 PolarHBondContact O-N 2.85Å |
| 175 | R | 94.1 | Very high | 90.1 | Very high | 155 Ų | 155 | 61.5 Ų | 61.5 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.3 | -43.1 | 179.8 | -69.9 | -171.1 | -61.9 | -93.6 | 2 | 111.2 | A171 F172 F173 I177 Q178 G179 N181 | A171-R175 PolarHBondContact O-NH1 3.45Å; F172-R175 PolarHBondContact O-N 3.24Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.34Å; R175-I177 VanDerWaalsContact C-N 3.29Å; R175-I177 PolarHBondContact O-N 2.83Å; R175-Q178 PolarHBondContact O-N 3.15Å; R175-G179 PolarHBondContact O-N 3.31Å; R175-G179 VanDerWaalsContact O-N 3.07Å; R175-N181 PolarHBondContact O-ND2 3.23Å |
| 176 | S | 93.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -26 | -178.7 | -49.2 | 0 | 0 | 0 | 0 | 114.1 | F172 F173 Y183 | F172-S176 PolarHBondContact O-N 2.9Å; F172-S176 PolarHBondContact O-OG 3.34Å; F172-S176 VanDerWaalsContact O-OG 3.08Å; F173-S176 PolarHBondContact O-N 3.08Å; S176-Y183 VanDerWaalsContact OG-CE2 3.32Å; S176-Y183 WeakPolarHBondContact OG-CE2 3.39Å; S176-Y183 PolarHBondContact OG-OH 3.13Å |
| 177 | I | 88.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3 | 175.2 | 72.4 | -173.1 | 0 | 0 | 0 | 114.2 | Y161 F173 R175 K216 | Y161-I177 HydrophobicContact CE1-CD1 4.13Å; F173-I177 HydrophobicContact CD1-CD1 3.86Å; F173-I177 HydrophobicContact CD1-CG2 4.32Å; F173-I177 HydrophobicContact CD2-CG2 4.13Å; F173-I177 HydrophobicContact CE1-CD1 3.72Å; F173-I177 HydrophobicContact CE1-CG2 4.01Å; F173-I177 HydrophobicContact CE2-CG2 3.8Å; F173-I177 HydrophobicContact CG-CG2 4.38Å; F173-I177 HydrophobicContact CZ-CD1 4.44Å; F173-I177 HydrophobicContact CZ-CG2 3.73Å; F173-I177 WeakPolarHBondContact O-CG1 3.38Å; F173-I177 WeakPolarHBondContact O-CG2 3.36Å; F173-I177 PolarHBondContact O-N 3.46Å; R175-I177 VanDerWaalsContact C-N 3.29Å; R175-I177 PolarHBondContact O-N 2.83Å; I177-K216 HydrophobicContact CD1-CB 4.05Å; I177-K216 HydrophobicContact CD1-CD 4.47Å; I177-K216 HydrophobicContact CD1-CG 4.07Å |
| 178 | Q | 82.9 | Confident | 89.2 | Confident | 145 Ų | 145 | 70 Ų | 70 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -8.8 | -174.5 | -167.9 | 162.7 | 13.6 | 0 | 0 | 114.2 | K174 R175 | K174-Q178 WeakPolarHBondContact O-CB 3.32Å; K174-Q178 PolarHBondContact O-N 2.85Å; R175-Q178 PolarHBondContact O-N 3.15Å |
| 179 | G | 73.8 | Confident | 88.8 | Confident | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -131 | 159.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R175 N181 | R175-G179 PolarHBondContact O-N 3.31Å; R175-G179 VanDerWaalsContact O-N 3.07Å; G179-N181 PolarHBondContact O-N 3.37Å; G179-N181 PolarHBondContact O-ND2 2.98Å |
| 180 | H | 57.8 | Low | 88.6 | Confident | 167 Ų | 167 | 79.6 Ų | 79.6 | 77% | 0.773 | 42% | 0.42 | S | S | * | . | trans | -67.3 | 102.2 | 174.4 | -149.4 | -71.5 | 0 | 0 | 0 | 109.1 | D182 | H180-D182 IonicContact CE1-OD1 3.1Å; H180-D182 IonicContact CE1-OD2 3.28Å; H180-D182 PolarHBondContact CE1-OD2 2.7Å; H180-D182 VanDerWaalsContact CE1-OD2 3.26Å; H180-D182 IonicContact CG-OD2 2.65Å; H180-D182 IonicContact ND1-OD1 2.74Å; H180-D182 IonicContact ND1-OD2 2.84Å; H180-D182 PolarHBondContact ND1-OD2 3.26Å | ||
| 181 | N | 74 | Confident | 88.5 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 32% | 0.316 | 42% | 0.421 | S | S | . | . | trans | -126.6 | 82.5 | -171.4 | -79.9 | -100.1 | 0 | 0 | 0 | 110.3 | R175 G179 Y183 | R175-N181 PolarHBondContact O-ND2 3.23Å; G179-N181 PolarHBondContact O-N 3.37Å; G179-N181 PolarHBondContact O-ND2 2.98Å; N181-Y183 HydrophobicContact CB-CD1 4.21Å; N181-Y183 HydrophobicContact CB-CE1 3.64Å; N181-Y183 HydrophobicContact CB-CE2 4.1Å; N181-Y183 VanDerWaalsContact CG-OH 3.3Å; N181-Y183 PolarHBondContact O-N 2.83Å; N181-Y183 VanDerWaalsContact OD1-CE1 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CE1 3.43Å; N181-Y183 PolarHBondContact OD1-OH 3.08Å | ||
| 182 | D | 81.3 | Confident | 88.5 | Confident | 122 Ų | 122 | 81 Ų | 81 | 65% | 0.652 | 43% | 0.43 | S | S | * | . | trans | -78.3 | 71.9 | -179.5 | -53.3 | -73.4 | 0 | 0 | 0 | 111.1 | H180 I184 | H180-D182 IonicContact CE1-OD1 3.1Å; H180-D182 IonicContact CE1-OD2 3.28Å; H180-D182 PolarHBondContact CE1-OD2 2.7Å; H180-D182 VanDerWaalsContact CE1-OD2 3.26Å; H180-D182 IonicContact CG-OD2 2.65Å; H180-D182 IonicContact ND1-OD1 2.74Å; H180-D182 IonicContact ND1-OD2 2.84Å; H180-D182 PolarHBondContact ND1-OD2 3.26Å; D182-I184 PolarHBondContact O-N 3.13Å | ||
| 183 | Y | 93.2 | Very high | 88.5 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 18% | 0.184 | 44% | 0.435 | C | S | . | . | trans | -69.8 | 103.9 | -179.6 | -57.9 | -37.2 | 0 | 0 | 0 | 111.3 | F172 S176 N181 Q202 A203 L206 | F172-Y183 AromaticContact CE2-CE2 3.87Å; F172-Y183 HydrophobicContact CE2-CE2 3.87Å; F172-Y183 HydrophobicContact CZ-CD2 4.3Å; F172-Y183 AromaticContact CZ-CE2 3.64Å; F172-Y183 HydrophobicContact CZ-CE2 3.64Å; S176-Y183 VanDerWaalsContact OG-CE2 3.32Å; S176-Y183 WeakPolarHBondContact OG-CE2 3.39Å; S176-Y183 PolarHBondContact OG-OH 3.13Å; N181-Y183 HydrophobicContact CB-CD1 4.21Å; N181-Y183 HydrophobicContact CB-CE1 3.64Å; N181-Y183 HydrophobicContact CB-CE2 4.1Å; N181-Y183 VanDerWaalsContact CG-OH 3.3Å; N181-Y183 PolarHBondContact O-N 2.83Å; N181-Y183 VanDerWaalsContact OD1-CE1 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CE1 3.43Å; N181-Y183 PolarHBondContact OD1-OH 3.08Å; Y183-Q202 HydrophobicContact CD1-CB 3.68Å; Y183-Q202 HydrophobicContact CD1-CG 4.48Å; Y183-Q202 HydrophobicContact CD2-CB 3.78Å; Y183-Q202 HydrophobicContact CE1-CB 4.01Å; Y183-Q202 HydrophobicContact CE1-CG 4.48Å; Y183-Q202 HydrophobicContact CE2-CB 4.07Å; Y183-Q202 HydrophobicContact CG-CB 3.59Å; Y183-A203 WeakPolarHBondContact O-CB 3.45Å; Y183-L206 HydrophobicContact CD2-CB 4.07Å; Y183-L206 HydrophobicContact CD2-CD2 3.83Å; Y183-L206 HydrophobicContact CE2-CB 4.3Å; Y183-L206 HydrophobicContact CE2-CD2 3.97Å | ||
| 184 | I | 90.8 | Very high | 88.5 | Confident | 153 Ų | 153 | 84 Ų | 84 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | trans | -77.1 | 143.4 | 167.4 | -57.3 | 175.3 | 0 | 0 | 0 | 109.3 | D182 | D182-I184 PolarHBondContact O-N 3.13Š| ||
| 185 | C | 95.3 | Very high | 88.5 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 10% | 0.101 | 45% | 0.445 | C | S | . | . | trans | -88.3 | 127.8 | 172 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | A187 N189 C191 A203 | C185-A187 PolarHBondContact O-N 2.88Å; C185-A187 PolarHBondContact SG-O 3.08Å; C185-N189 WeakPolarHBondContact CB-OD1 3.28Å; C185-C191 VanDerWaalsContact SG-SG 3.65Å; C185-A203 HydrophobicContact CB-CB 3.98Å | ||
| 186 | P | 90.1 | Very high | 88.5 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 72% | 0.721 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -76.5 | 21.4 | 177.2 | 34.5 | -37.9 | 0 | 0 | 0 | 113.2 | ||
| 187 | A | 90.9 | Very high | 88.4 | Confident | 55 Ų | 55 | 87.9 Ų | 87.9 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -165.2 | -173.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | C185 N189 | C185-A187 PolarHBondContact O-N 2.88Å; C185-A187 PolarHBondContact SG-O 3.08Å; A187-N189 PolarHBondContact O-N 3.26Å |
| 188 | T | 92.1 | Very high | 88.7 | Confident | 109 Ų | 109 | 88.3 Ų | 88.3 | 67% | 0.669 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -67.5 | 25 | -173.9 | 57.2 | 0 | 0 | 0 | 0 | 116.8 | Q190 | T188-Q190 WeakPolarHBondContact O-CG 3.5Å; T188-Q190 PolarHBondContact O-N 3.28Å; T188-Q190 PolarHBondContact O-NE2 2.71Å |
| 189 | N | 90.3 | Very high | 89.2 | Confident | 78 Ų | 78 | 90 Ų | 90 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | S | Bend | trans | 59.1 | 11.6 | -177.5 | -82.8 | -65 | 0 | 0 | 0 | 116.4 | C185 A187 C204 R207 | C185-N189 WeakPolarHBondContact CB-OD1 3.28Å; A187-N189 PolarHBondContact O-N 3.26Å; N189-C204 PolarHBondContact O-SG 2.87Å; N189-R207 PolarHBondContact O-NH1 2.7Å; N189-R207 PolarHBondContact OD1-NH1 3.3Å; N189-R207 PolarHBondContact OD1-NH2 3.34Å |
| 190 | Q | 92.8 | Very high | 90.3 | Very high | 159 Ų | 159 | 92.3 Ų | 92.3 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | trans | -115.8 | 31.5 | -175.2 | -68.8 | 168.7 | 67.1 | 0 | 0 | 113 | T188 T192 | T188-Q190 WeakPolarHBondContact O-CG 3.5Å; T188-Q190 PolarHBondContact O-N 3.28Å; T188-Q190 PolarHBondContact O-NE2 2.71Å; Q190-T192 PolarHBondContact O-N 2.77Å | ||
| 191 | C | 95.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 84.6 Ų | 84.6 | 27% | 0.27 | 45% | 0.449 | S | S | . | . | trans | -68.3 | 125.7 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | C185 C201 C204 | C185-C191 VanDerWaalsContact SG-SG 3.65Å; C191-C201 HydrophobicContact CB-CB 3.9Å; C191-C204 HydrophobicContact CB-CB 3.76Å | ||
| 192 | T | 95 | Very high | 93.1 | Very high | 87 Ų | 87 | 86.8 Ų | 86.8 | 53% | 0.534 | 46% | 0.457 | S | S | . | . | trans | -68.2 | 132.2 | 175.1 | 34.8 | 0 | 0 | 0 | 0 | 111.6 | Q190 R197 | Q190-T192 PolarHBondContact O-N 2.77Å; T192-R197 PolarHBondContact OG1-NH1 2.95Å; T192-R197 VanDerWaalsContact OG1-NH1 3.17Å; T192-R197 PolarHBondContact OG1-NH2 2.96Å; T192-R197 VanDerWaalsContact OG1-NH2 3.1Å | ||
| 193 | I | 96.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | trans | -110.7 | 108.2 | -173.3 | -52.6 | -58.4 | 0 | 0 | 0 | 110.3 | V151 C152 R198 C204 R205 K208 | V151-I193 HydrophobicContact CG1-CG2 4.38Å; V151-I193 VanDerWaalsContact O-CG2 3.26Å; V151-I193 WeakPolarHBondContact O-CG2 3.47Å; C152-I193 HydrophobicContact CB-CG2 4.06Å; I193-R198 HydrophobicContact CG2-CB 3.9Å; I193-C204 HydrophobicContact CD1-CB 4.04Å; I193-R205 HydrophobicContact CD1-CB 4.07Å; I193-R205 HydrophobicContact CG2-CG 4.23Å; I193-K208 HydrophobicContact CG1-CB 4.19Å; I193-K208 HydrophobicContact CG1-CG 4.5Å | ||
| 194 | D | 96.2 | Very high | 94 | Very high | 44 Ų | 44 | 79.3 Ų | 79.3 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | trans | -129.8 | 177.2 | 175.1 | 61.9 | 57.8 | 0 | 0 | 0 | 111.3 | C152 N196 R197 R198 | C152-D194 CarbonylContact O-C 3.59Å; D194-N196 PolarHBondContact O-N 2.91Å; D194-N196 WeakPolarHBondContact OD1-CA 3.47Å; D194-N196 WeakPolarHBondContact OD1-CB 3.45Å; D194-N196 PolarHBondContact OD1-N 2.82Å; D194-R197 PolarHBondContact O-N 3.27Å; D194-R197 PolarHBondContact OD1-N 3.49Å; D194-R197 IonicContact OD2-CZ 2.75Å; D194-R197 IonicContact OD2-NE 2.7Å; D194-R197 PolarHBondContact OD2-NE 3.27Å; D194-R197 IonicContact OD2-NH2 2.73Å; D194-R197 PolarHBondContact OD2-NH2 3.22Å; D194-R198 WeakPolarHBondContact O-CB 3.25Å; D194-R198 VanDerWaalsContact O-CG 3.23Å; D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.85Å | ||
| 195 | K | 93.9 | Very high | 94.3 | Very high | 102 Ų | 102 | 73.1 Ų | 73.1 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -32.9 | -179.2 | -177.3 | 171 | -177.6 | 152.1 | 0 | 114.1 | C152 D154 R198 | C152-K195 PolarHBondContact O-N 3.33Å; C152-K195 VanDerWaalsContact O-N 3.11Å; D154-K195 HydrophobicContact CB-CB 4.31Å; D154-K195 HydrophobicContact CB-CD 4.18Å; D154-K195 HydrophobicContact CB-CG 4.15Å; D154-K195 WeakPolarHBondContact OD1-CD 3.23Å; D154-K195 WeakPolarHBondContact OD1-CE 3.41Å; D154-K195 IonicContact OD1-NZ 2.65Å; D154-K195 PolarHBondContact OD1-NZ 3.25Å; K195-R198 PolarHBondContact O-NE 3.39Å |
| 196 | N | 93.9 | Very high | 94.4 | Very high | 132 Ų | 132 | 73.5 Ų | 73.5 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -46.7 | -173 | -63 | 23.4 | 0 | 0 | 0 | 110.5 | D194 | D194-N196 PolarHBondContact O-N 2.91Å; D194-N196 WeakPolarHBondContact OD1-CA 3.47Å; D194-N196 WeakPolarHBondContact OD1-CB 3.45Å; D194-N196 PolarHBondContact OD1-N 2.82Å |
| 197 | R | 91.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 72.9 Ų | 72.9 | 46% | 0.464 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -5 | -174.6 | -64.5 | -177.4 | -64.7 | 160.8 | 7.6 | 114.9 | T192 D194 K199 S200 | T192-R197 PolarHBondContact OG1-NH1 2.95Å; T192-R197 VanDerWaalsContact OG1-NH1 3.17Å; T192-R197 PolarHBondContact OG1-NH2 2.96Å; T192-R197 VanDerWaalsContact OG1-NH2 3.1Å; D194-R197 PolarHBondContact O-N 3.27Å; D194-R197 PolarHBondContact OD1-N 3.49Å; D194-R197 IonicContact OD2-CZ 2.75Å; D194-R197 IonicContact OD2-NE 2.7Å; D194-R197 PolarHBondContact OD2-NE 3.27Å; D194-R197 IonicContact OD2-NH2 2.73Å; D194-R197 PolarHBondContact OD2-NH2 3.22Å; R197-K199 PolarHBondContact O-N 3.39Å; R197-S200 WeakPolarHBondContact O-CB 3.47Å; R197-S200 PolarHBondContact O-N 3.49Å; R197-S200 PolarHBondContact O-OG 3.28Å |
| 198 | R | 94.3 | Very high | 95 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 15% | 0.151 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 0.4 | 169.9 | 66.6 | -173.8 | 175.1 | -179.7 | -1.3 | 115.8 | C152 D154 C166 I193 D194 K195 R205 | C152-R198 HydrophobicContact CB-CB 4.43Å; C152-R198 PolarHBondContact SG-NH1 2.95Å; D154-R198 IonicContact OD2-CZ 2.77Å; D154-R198 IonicContact OD2-NH1 3.84Å; D154-R198 PolarHBondContact OD2-NH1 3.48Å; D154-R198 IonicContact OD2-NH2 2.98Å; D154-R198 PolarHBondContact OD2-NH2 3.27Å; C166-R198 PolarHBondContact SG-NH1 2.88Å; I193-R198 HydrophobicContact CG2-CB 3.9Å; D194-R198 WeakPolarHBondContact O-CB 3.25Å; D194-R198 VanDerWaalsContact O-CG 3.23Å; D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.85Å; K195-R198 PolarHBondContact O-NE 3.39Å; R198-R205 WeakPolarHBondContact O-CD 3.4Å; R198-R205 PolarHBondContact O-NH1 3.41Å |
| 199 | K | 94.4 | Very high | 95.2 | Very high | 181 Ų | 181 | 68.6 Ų | 68.6 | 79% | 0.787 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -22.8 | 167.1 | -67.6 | -172.2 | -178.8 | -179 | 0 | 112.9 | R197 | R197-K199 PolarHBondContact O-N 3.39Š|
| 200 | S | 94.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.3 | -168.2 | -50.4 | 0 | 0 | 0 | 0 | 114.6 | R197 | R197-S200 WeakPolarHBondContact O-CB 3.47Å; R197-S200 PolarHBondContact O-N 3.49Å; R197-S200 PolarHBondContact O-OG 3.28Å |
| 201 | C | 96.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | trans | -144.2 | 113.8 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | C191 C204 R205 | C191-C201 HydrophobicContact CB-CB 3.9Å; C201-C204 HydrophobicContact CB-CB 4.31Å; C201-C204 PolarHBondContact SG-N 3.4Å; C201-C204 VanDerWaalsContact SG-N 3.42Å; C201-R205 WeakPolarHBondContact O-CB 3.46Å; C201-R205 PolarHBondContact O-N 2.88Å | ||
| 202 | Q | 95.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 68.7 Ų | 68.7 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.6 | -37.8 | 178.5 | -64.8 | 172.3 | -15.7 | 0 | 0 | 111.3 | F172 Y183 R205 L206 | F172-Q202 HydrophobicContact CE2-CB 4.2Å; F172-Q202 HydrophobicContact CE2-CG 4.25Å; F172-Q202 HydrophobicContact CZ-CB 4.28Å; F172-Q202 WeakPolarHBondContact CZ-O 3.37Å; Y183-Q202 HydrophobicContact CD1-CB 3.68Å; Y183-Q202 HydrophobicContact CD1-CG 4.48Å; Y183-Q202 HydrophobicContact CD2-CB 3.78Å; Y183-Q202 HydrophobicContact CE1-CB 4.01Å; Y183-Q202 HydrophobicContact CE1-CG 4.48Å; Y183-Q202 HydrophobicContact CE2-CB 4.07Å; Y183-Q202 HydrophobicContact CG-CB 3.59Å; Q202-R205 PolarHBondContact O-N 2.89Å; Q202-L206 PolarHBondContact O-N 3.01Å |
| 203 | A | 96.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -56.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y183 C185 R205 L206 R207 | Y183-A203 WeakPolarHBondContact O-CB 3.45Å; C185-A203 HydrophobicContact CB-CB 3.98Å; A203-R205 VanDerWaalsContact C-N 3.26Å; A203-R205 PolarHBondContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.34Å; A203-R207 PolarHBondContact O-N 3Å |
| 204 | C | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -30.8 | 179.4 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | N189 C191 I193 C201 R207 K208 | N189-C204 PolarHBondContact O-SG 2.87Å; C191-C204 HydrophobicContact CB-CB 3.76Å; I193-C204 HydrophobicContact CD1-CB 4.04Å; C201-C204 HydrophobicContact CB-CB 4.31Å; C201-C204 PolarHBondContact SG-N 3.4Å; C201-C204 VanDerWaalsContact SG-N 3.42Å; C204-R207 PolarHBondContact SG-NH1 3.01Å; C204-K208 WeakPolarHBondContact O-CB 3.39Å; C204-K208 PolarHBondContact O-N 2.79Å |
| 205 | R | 97.6 | Very high | 95 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 174 | -173.2 | -179.3 | -173.4 | -174.1 | -8.1 | 112.8 | V151 G168 C169 F172 I193 R198 C201 Q202 A203 K208 C209 | V151-R205 HydrophobicContact CG1-CG 4.43Å; G168-R205 PolarHBondContact O-NH2 2.66Å; C169-R205 PolarHBondContact SG-NH2 2.96Å; F172-R205 HydrophobicContact CD1-CG 3.92Å; F172-R205 HydrophobicContact CE1-CB 3.96Å; F172-R205 HydrophobicContact CE1-CG 3.61Å; F172-R205 HydrophobicContact CZ-CB 4.15Å; F172-R205 HydrophobicContact CZ-CG 4.19Å; I193-R205 HydrophobicContact CD1-CB 4.07Å; I193-R205 HydrophobicContact CG2-CG 4.23Å; R198-R205 WeakPolarHBondContact O-CD 3.4Å; R198-R205 PolarHBondContact O-NH1 3.41Å; C201-R205 WeakPolarHBondContact O-CB 3.46Å; C201-R205 PolarHBondContact O-N 2.88Å; Q202-R205 PolarHBondContact O-N 2.89Å; A203-R205 VanDerWaalsContact C-N 3.26Å; A203-R205 PolarHBondContact O-N 3.16Å; R205-K208 PolarHBondContact O-N 2.97Å; R205-C209 PolarHBondContact O-N 2.94Å; R205-C209 PolarHBondContact O-SG 2.73Å; R205-C209 VanDerWaalsContact O-SG 3.42Å |
| 206 | L | 96.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177 | -179 | 59.5 | 0 | 0 | 0 | 110.7 | F172 F173 Y183 Q202 A203 K208 C209 Y210 | F172-L206 HydrophobicContact CE1-CB 4.02Å; F172-L206 HydrophobicContact CE1-CD1 4.49Å; F172-L206 HydrophobicContact CZ-CB 4.13Å; F173-L206 HydrophobicContact CD2-CD1 4.02Å; F173-L206 HydrophobicContact CE2-CD1 4.28Å; Y183-L206 HydrophobicContact CD2-CB 4.07Å; Y183-L206 HydrophobicContact CD2-CD2 3.83Å; Y183-L206 HydrophobicContact CE2-CB 4.3Å; Y183-L206 HydrophobicContact CE2-CD2 3.97Å; Q202-L206 PolarHBondContact O-N 3.01Å; A203-L206 PolarHBondContact O-N 3.34Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 2.95Å; L206-C209 WeakPolarHBondContact O-CB 3.47Å; L206-C209 PolarHBondContact O-N 3.26Å; L206-C209 VanDerWaalsContact O-N 3.16Å; L206-Y210 HydrophobicContact CD1-CD2 4.42Å; L206-Y210 HydrophobicContact CD1-CE2 3.79Å; L206-Y210 HydrophobicContact CD2-CE2 4.23Å; L206-Y210 HydrophobicContact CG-CD2 4.25Å; L206-Y210 HydrophobicContact CG-CE2 3.69Å; L206-Y210 WeakPolarHBondContact O-CD2 3.37Å; L206-Y210 PolarHBondContact O-N 3.26Å; L206-Y210 VanDerWaalsContact O-N 3.15Å |
| 207 | R | 95.5 | Very high | 92.8 | Very high | 98 Ų | 98 | 67.5 Ų | 67.5 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.2 | -47.9 | 169.6 | -165.8 | -177.6 | -65.7 | 114.4 | 9.8 | 110.9 | N189 A203 C204 C209 Y210 E211 | N189-R207 PolarHBondContact O-NH1 2.7Å; N189-R207 PolarHBondContact OD1-NH1 3.3Å; N189-R207 PolarHBondContact OD1-NH2 3.34Å; A203-R207 PolarHBondContact O-N 3Å; C204-R207 PolarHBondContact SG-NH1 3.01Å; R207-C209 VanDerWaalsContact C-N 3.32Å; R207-C209 PolarHBondContact O-N 3.41Å; R207-Y210 PolarHBondContact O-N 2.99Å; R207-E211 WeakPolarHBondContact CG-OE1 3.43Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.85Å |
| 208 | K | 97.1 | Very high | 91 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -31.2 | 178.6 | -162.2 | 52.4 | 165 | 177.8 | 0 | 113.9 | V151 I193 C204 R205 L206 E211 V212 | V151-K208 HydrophobicContact CG1-CB 4.38Å; V151-K208 HydrophobicContact CG1-CG 4.36Å; I193-K208 HydrophobicContact CG1-CB 4.19Å; I193-K208 HydrophobicContact CG1-CG 4.5Å; C204-K208 WeakPolarHBondContact O-CB 3.39Å; C204-K208 PolarHBondContact O-N 2.79Å; R205-K208 PolarHBondContact O-N 2.97Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 2.95Å; K208-E211 HydrophobicContact CD-CB 4.12Å; K208-E211 WeakPolarHBondContact CD-OE2 3.32Å; K208-E211 WeakPolarHBondContact CE-OE2 3.33Å; K208-E211 IonicContact NZ-OE2 2.75Å; K208-E211 PolarHBondContact NZ-OE2 3.23Å; K208-V212 HydrophobicContact CD-CG1 4.49Å; K208-V212 WeakPolarHBondContact O-CG2 3.46Å; K208-V212 PolarHBondContact O-N 2.81Å |
| 209 | C | 96.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 169.6 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | F173 R205 L206 R207 V212 M214 | F173-C209 HydrophobicContact CD2-CB 3.51Å; F173-C209 HydrophobicContact CE2-CB 3.88Å; F173-C209 HydrophobicContact CG-CB 4.43Å; R205-C209 PolarHBondContact O-N 2.94Å; R205-C209 PolarHBondContact O-SG 2.73Å; R205-C209 VanDerWaalsContact O-SG 3.42Å; L206-C209 WeakPolarHBondContact O-CB 3.47Å; L206-C209 PolarHBondContact O-N 3.26Å; L206-C209 VanDerWaalsContact O-N 3.16Å; R207-C209 VanDerWaalsContact C-N 3.32Å; R207-C209 PolarHBondContact O-N 3.41Å; C209-V212 WeakPolarHBondContact O-CG2 3.43Å; C209-M214 HydrophobicContact CB-CB 4.18Å; C209-M214 HydrophobicContact CB-CG 4.21Å; C209-M214 HydrophobicContact CB-SD 3.77Å; C209-M214 WeakPolarHBondContact O-CB 3.49Å; C209-M214 VanDerWaalsContact O-CG 3.3Å; C209-M214 WeakPolarHBondContact O-CG 3.5Å; C209-M214 PolarHBondContact O-N 3.28Å; C209-M214 VanDerWaalsContact SG-SD 3.64Å |
| 210 | Y | 95.5 | Very high | 85.8 | Confident | 122 Ų | 122 | 71.2 Ų | 71.2 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.5 | -64.6 | -54.3 | 0 | 0 | 0 | 112.5 | F173 L206 R207 V212 G213 | F173-Y210 AromaticContact CE2-CD1 3.85Å; F173-Y210 HydrophobicContact CE2-CD1 3.85Å; F173-Y210 AromaticContact CE2-CE1 3.52Å; F173-Y210 HydrophobicContact CE2-CE1 3.52Å; F173-Y210 HydrophobicContact CZ-CD1 4.18Å; F173-Y210 AromaticContact CZ-CE1 3.79Å; F173-Y210 HydrophobicContact CZ-CE1 3.79Å; L206-Y210 HydrophobicContact CD1-CD2 4.42Å; L206-Y210 HydrophobicContact CD1-CE2 3.79Å; L206-Y210 HydrophobicContact CD2-CE2 4.23Å; L206-Y210 HydrophobicContact CG-CD2 4.25Å; L206-Y210 HydrophobicContact CG-CE2 3.69Å; L206-Y210 WeakPolarHBondContact O-CD2 3.37Å; L206-Y210 PolarHBondContact O-N 3.26Å; L206-Y210 VanDerWaalsContact O-N 3.15Å; R207-Y210 PolarHBondContact O-N 2.99Å; Y210-V212 VanDerWaalsContact C-N 3.27Å; Y210-V212 PolarHBondContact O-N 3.07Å; Y210-G213 PolarHBondContact O-N 3.22Å |
| 211 | E | 95.4 | Very high | 83.1 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.5 | -38.4 | 177.5 | -75.6 | 169.7 | -130.5 | 0 | 0 | 113.4 | R207 K208 G213 | R207-E211 WeakPolarHBondContact CG-OE1 3.43Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.85Å; K208-E211 HydrophobicContact CD-CB 4.12Å; K208-E211 WeakPolarHBondContact CD-OE2 3.32Å; K208-E211 WeakPolarHBondContact CE-OE2 3.33Å; K208-E211 IonicContact NZ-OE2 2.75Å; K208-E211 PolarHBondContact NZ-OE2 3.23Å; E211-G213 VanDerWaalsContact C-N 3.28Å |
| 212 | V | 95.6 | Very high | 80.6 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.3 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | A150 V151 V163 K208 C209 Y210 M214 | A150-V212 HydrophobicContact CB-CB 4Å; A150-V212 HydrophobicContact CB-CG1 4.08Å; A150-V212 HydrophobicContact CB-CG2 4.16Å; V151-V212 HydrophobicContact CG2-CG2 3.63Å; V163-V212 HydrophobicContact CG1-CG2 4.11Å; V163-V212 WeakPolarHBondContact CG1-O 3.38Å; V163-V212 HydrophobicContact CG2-CG2 4.28Å; K208-V212 HydrophobicContact CD-CG1 4.49Å; K208-V212 WeakPolarHBondContact O-CG2 3.46Å; K208-V212 PolarHBondContact O-N 2.81Å; C209-V212 WeakPolarHBondContact O-CG2 3.43Å; Y210-V212 VanDerWaalsContact C-N 3.27Å; Y210-V212 PolarHBondContact O-N 3.07Å; V212-M214 HydrophobicContact CG2-CG 4.04Å |
| 213 | G | 92.5 | Very high | 78 | Confident | 36 Ų | 36 | 93.9 Ų | 93.9 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 22.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y210 E211 V215 | Y210-G213 PolarHBondContact O-N 3.22Å; E211-G213 VanDerWaalsContact C-N 3.28Å; G213-V215 PolarHBondContact O-N 2.95Å |
| 214 | M | 94.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 99.4 Ų | 99.4 | 0% | 0 | 50% | 0.497 | C | S | . | . | trans | -68.7 | 123.9 | 170.9 | -59.8 | -168.7 | 81.5 | 0 | 0 | 110.4 | V151 Y161 V163 F173 C209 V212 | V151-M214 HydrophobicContact CG2-SD 3.67Å; Y161-M214 HydrophobicContact CD2-CE 3.83Å; Y161-M214 HydrophobicContact CG-CE 4.31Å; Y161-M214 CarbonylContact O-C 3.23Å; Y161-M214 WeakPolarHBondContact O-CA 3.37Å; V163-M214 HydrophobicContact CB-CG 4.43Å; V163-M214 HydrophobicContact CG1-CG 4.03Å; V163-M214 HydrophobicContact CG2-CE 4.14Å; V163-M214 HydrophobicContact CG2-CG 3.48Å; V163-M214 VanDerWaalsContact CG2-CG 3.48Å; V163-M214 HydrophobicContact CG2-SD 3.99Å; F173-M214 HydrophobicContact CB-CE 4.16Å; F173-M214 HydrophobicContact CB-SD 4.43Å; F173-M214 HydrophobicContact CD1-CB 4.12Å; F173-M214 HydrophobicContact CD1-CE 4.19Å; F173-M214 HydrophobicContact CD2-CB 4.12Å; F173-M214 HydrophobicContact CE1-CB 3.79Å; F173-M214 HydrophobicContact CE2-CB 3.79Å; F173-M214 HydrophobicContact CG-CB 4.27Å; F173-M214 HydrophobicContact CG-CE 4.21Å; F173-M214 HydrophobicContact CG-SD 4.32Å; F173-M214 VanDerWaalsContact CZ-C 3.47Å; F173-M214 HydrophobicContact CZ-CB 3.62Å; F173-M214 WeakPolarHBondContact CZ-O 3.43Å; C209-M214 HydrophobicContact CB-CB 4.18Å; C209-M214 HydrophobicContact CB-CG 4.21Å; C209-M214 HydrophobicContact CB-SD 3.77Å; C209-M214 WeakPolarHBondContact O-CB 3.49Å; C209-M214 VanDerWaalsContact O-CG 3.3Å; C209-M214 WeakPolarHBondContact O-CG 3.5Å; C209-M214 PolarHBondContact O-N 3.28Å; C209-M214 VanDerWaalsContact SG-SD 3.64Å; V212-M214 HydrophobicContact CG2-CG 4.04Å | ||
| 215 | V | 89.2 | Confident | 72.2 | Confident | 72 Ų | 72 | 102.8 Ų | 102.8 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | trans | -132.3 | 145 | -177.8 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | Y161 G213 C217 | Y161-V215 WeakPolarHBondContact CB-O 3.4Å; Y161-V215 WeakPolarHBondContact CD1-O 3.35Å; Y161-V215 PolarHBondContact O-N 2.97Å; G213-V215 PolarHBondContact O-N 2.95Å; V215-C217 PolarHBondContact O-N 3.42Å | ||
| 216 | K | 84.4 | Confident | 69.3 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.609 | 57% | 0.567 | S | S | * | * | trans | -65.1 | 117 | 170.9 | -170.3 | 174.1 | 178 | 178.5 | 0 | 108.2 | I177 G218 | I177-K216 HydrophobicContact CD1-CB 4.05Å; I177-K216 HydrophobicContact CD1-CD 4.47Å; I177-K216 HydrophobicContact CD1-CG 4.07Å; K216-G218 PolarHBondContact O-N 2.87Å | ||
| 217 | C | 57.1 | Low | 66.5 | Low | 120 Ų | 120 | 122 Ų | 122 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 124.3 | -178.9 | -163.4 | 0 | 0 | 0 | 0 | 109.7 | V215 | V215-C217 PolarHBondContact O-N 3.42Š|
| 218 | G | 53.3 | Low | 63.7 | Low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161.6 | -23 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K216 | K216-G218 PolarHBondContact O-N 2.87Š|
| 219 | S | 39.8 | Very low | 60.8 | Low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -127.2 | 23 | -174 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 220 | R | 40 | Very low | 58 | Low | 235 Ų | 235 | 140.2 Ų | 140.2 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -137.4 | 98.4 | 171.9 | -105.9 | -174 | 176 | -178.8 | 0.5 | 112.3 | ||||
| 221 | R | 38.2 | Very low | 55.1 | Low | 235 Ų | 235 | 146.4 Ų | 146.4 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | trans | -85.5 | 172.2 | 149.9 | -132 | 177.1 | -173.7 | -166 | 1.9 | 108.5 | ||||
| 222 | E | 43.7 | Very low | 52.2 | Low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 61.4 | 65.3 | 171.8 | -50.7 | -150.2 | 155.6 | 0 | 0 | 117.8 | ||
| 223 | R | 41.1 | Very low | 49.2 | Very low | 256 Ų | 256 | 159.7 Ų | 159.7 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | S | Bend | -168.8 | 80.6 | 122.3 | -103.4 | 175.5 | -162.7 | -176.3 | 7.1 | 111.8 | |||
| 224 | C | 33.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 163.9 Ų | 163.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 72.8 | 155.4 | -161.5 | 0 | 0 | 0 | 0 | 110.4 | Y226 | C224-Y226 PolarHBondContact O-N 3.4Š| ||
| 225 | G | 40.2 | Very low | 43 | Very low | 75 Ų | 75 | 167.8 Ų | 167.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -81.3 | 84.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 226 | Y | 36.2 | Very low | 40 | Very low | 212 Ų | 212 | 171.8 Ų | 171.8 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | trans | -155.1 | 134.4 | 160.5 | -105.4 | -72.8 | 0 | 0 | 0 | 111.7 | C224 | C224-Y226 PolarHBondContact O-N 3.4Š| ||
| 227 | R | 37.1 | Very low | 37.5 | Very low | 237 Ų | 237 | 174.1 Ų | 174.1 | 89% | 0.894 | 86% | 0.857 | S | S | * | * | trans | 73.7 | 77.3 | 179.9 | -58.7 | 178.4 | -72.5 | -131 | -2 | 116.4 | ||||
| 228 | L | 36.3 | Very low | 36.2 | Very low | 171 Ų | 171 | 175.9 Ų | 175.9 | 90% | 0.895 | 85% | 0.853 | S | S | * | * | trans | -119.9 | 53.7 | 158.6 | -140.3 | 178.9 | 0 | 0 | 0 | 110.9 | ||||
| 229 | V | 36.5 | Very low | 35 | Very low | 140 Ų | 140 | 178.7 Ų | 178.7 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | trans | -140.9 | 74.1 | 177.8 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 230 | R | 38.2 | Very low | 34.5 | Very low | 245 Ų | 245 | 181.6 Ų | 181.6 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | S | Bend | trans | 171.9 | 92.3 | 147.4 | -104.6 | -179.1 | 162 | 173.1 | -4.5 | 112 | ||
| 231 | R | 33.8 | Very low | 33.8 | Very low | 251 Ų | 251 | 176.3 Ų | 176.3 | 95% | 0.947 | 85% | 0.848 | S | S | * | * | trans | 178.5 | 73.9 | 137 | -103.1 | 178 | 171.4 | -175.6 | -4 | 111.4 | ||||
| 232 | Q | 34.6 | Very low | 33.5 | Very low | 186 Ų | 186 | 169.9 Ų | 169.9 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -129.3 | 81.1 | 161.6 | -162.9 | 79.5 | 21.8 | 0 | 0 | 107 | ||||
| 233 | R | 32 | Very low | 32.9 | Very low | 250 Ų | 250 | 166.4 Ų | 166.4 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -177.4 | 85.8 | 172.8 | -108.6 | 177.6 | -165.3 | -162.3 | 4 | 111.4 | ||||
| 234 | S | 29.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 164.8 Ų | 164.8 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -178.5 | 107.4 | 151.1 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 235 | A | 29.2 | Very low | 32.7 | Very low | 83 Ų | 83 | 163.9 Ų | 163.9 | 69% | 0.686 | 84% | 0.842 | S | S | * | * | trans | -92.1 | 172.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 236 | D | 27.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 169.8 Ų | 169.8 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | trans | 57.4 | 114.4 | 163.6 | -53 | -38.5 | 0 | 0 | 0 | 119 | ||||
| 237 | E | 30.2 | Very low | 32.2 | Very low | 189 Ų | 189 | 171.2 Ų | 171.2 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -153.7 | 166.6 | 130.9 | -117.2 | 177.7 | 147.2 | 0 | 0 | 110.8 | ||||
| 238 | Q | 29.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 165.4 Ų | 165.4 | 73% | 0.729 | 85% | 0.846 | S | S | * | * | trans | -74.9 | 138.1 | -147.8 | -96.5 | 73.5 | -14.5 | 0 | 0 | 118.7 | ||||
| 239 | L | 29.7 | Very low | 32.1 | Very low | 137 Ų | 137 | 161.1 Ų | 161.1 | 72% | 0.717 | 84% | 0.843 | S | S | * | * | 32 | 145.8 | 122.3 | -73.7 | 169.3 | 0 | 0 | 0 | 123 | |||||
| 240 | H | 28.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 158.8 Ų | 158.8 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | trans | 65.7 | 113.8 | 156.8 | -64 | -58.9 | 0 | 0 | 0 | 119.8 | ||||
| 241 | C | 24.9 | Very low | 32 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | -155.5 | 145.2 | 100.6 | -152.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 242 | A | 32.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 147 Ų | 147 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -116.6 | 104.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 243 | S | 30.8 | Very low | 33 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -124.2 | 128.7 | 178.2 | -72.6 | 0 | 0 | 0 | 0 | 111.2 | A245 | S243-A245 PolarHBondContact O-N 3.12Š| ||
| 244 | K | 38.5 | Very low | 33.5 | Very low | 222 Ų | 222 | 137.2 Ų | 137.2 | 97% | 0.965 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 120.1 | -179.1 | -65.3 | 172.2 | -179.5 | 172.1 | 0 | 110.6 | ||||
| 245 | A | 32.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -126.9 | 151.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S243 | S243-A245 PolarHBondContact O-N 3.12Š| ||
| 246 | K | 34.4 | Very low | 35 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -128.2 | 140.7 | -165.9 | -169.2 | -177.5 | -176.2 | 176.9 | 0 | 110.5 | ||||
| 247 | R | 31.3 | Very low | 35.8 | Very low | 242 Ų | 242 | 137.6 Ų | 137.6 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | 100.8 | 155.1 | 167.5 | -62.7 | -179.2 | 151.1 | 164.8 | -6.5 | 118.2 | ||||
| 248 | S | 27.9 | Very low | 36.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 75.9 | 97.7 | 162.4 | -134.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 249 | G | 42.2 | Very low | 37.7 | Very low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | -89.2 | 126.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 250 | S | 35.9 | Very low | 38.9 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -143.1 | 16.4 | 172.6 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | A252 | S250-A252 PolarHBondContact O-N 3.37Š| ||
| 251 | H | 36.8 | Very low | 40.1 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -80 | 62.8 | 172 | -69.3 | -75.5 | 0 | 0 | 0 | 111.8 | ||||
| 252 | A | 43.3 | Very low | 41.8 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | trans | -115.4 | -40 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S250 | S250-A252 PolarHBondContact O-N 3.37Š| ||
| 253 | P | 45.6 | Very low | 44.2 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.3 | -46.4 | -172.6 | 26.6 | -32 | 0 | 0 | 0 | 112.7 | V255 R256 E257 | P253-V255 PolarHBondContact O-N 3.03Å; P253-V255 VanDerWaalsContact O-N 3.17Å; P253-R256 PolarHBondContact O-N 2.93Å; P253-R256 VanDerWaalsContact O-N 3.16Å; P253-E257 PolarHBondContact O-N 3.38Å |
| 254 | L | 43.2 | Very low | 47.1 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.7 | -26.4 | -172.8 | -157.8 | 77.9 | 0 | 0 | 0 | 113.6 | L258 | L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.46Å |
| 255 | V | 44.1 | Very low | 49.8 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.7 | -27.4 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | P253 | P253-V255 PolarHBondContact O-N 3.03Å; P253-V255 VanDerWaalsContact O-N 3.17Å |
| 256 | R | 45 | Very low | 52.7 | Low | 156 Ų | 156 | 109.5 Ų | 109.5 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -86 | -35.9 | 178.2 | -74.1 | -168.6 | 177.7 | -179.4 | -1 | 113.5 | P253 L258 L259 | P253-R256 PolarHBondContact O-N 2.93Å; P253-R256 VanDerWaalsContact O-N 3.16Å; R256-L258 PolarHBondContact O-N 3.34Å; R256-L259 HydrophobicContact CB-CD1 4.48Å; R256-L259 HydrophobicContact CG-CD1 4.29Å; R256-L259 WeakPolarHBondContact O-CB 3.39Å; R256-L259 PolarHBondContact O-N 2.94Å |
| 257 | E | 44 | Very low | 55.5 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -26.6 | 178.7 | -162 | 157.7 | -129.2 | 0 | 0 | 112 | P253 | P253-E257 PolarHBondContact O-N 3.38Å |
| 258 | L | 47.8 | Very low | 58.6 | Low | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.6 | 173.5 | -69.4 | 170.3 | 0 | 0 | 0 | 115.4 | L254 R256 A262 | L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.46Å; R256-L258 PolarHBondContact O-N 3.34Å; L258-A262 VanDerWaalsContact O-CB 3.26Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 2.94Å |
| 259 | L | 52.9 | Low | 61.9 | Low | 97 Ų | 97 | 88.2 Ų | 88.2 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.4 | -174.8 | -72.9 | 168.1 | 0 | 0 | 0 | 113 | R256 A262 L263 | R256-L259 HydrophobicContact CB-CD1 4.48Å; R256-L259 HydrophobicContact CG-CD1 4.29Å; R256-L259 WeakPolarHBondContact O-CB 3.39Å; R256-L259 PolarHBondContact O-N 2.94Å; L259-A262 PolarHBondContact O-N 3.39Å; L259-L263 WeakPolarHBondContact O-CG 3.37Å; L259-L263 PolarHBondContact O-N 3.4Å |
| 260 | L | 53.9 | Low | 64.4 | Low | 56 Ų | 56 | 88 Ų | 88 | 29% | 0.293 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -44.6 | 177.7 | -76.8 | 162.1 | 0 | 0 | 0 | 112 | A262 L263 P317 L429 | L260-A262 PolarHBondContact O-N 2.76Å; L260-A262 VanDerWaalsContact O-N 3.15Å; L260-L263 PolarHBondContact O-N 3.34Å; L260-P317 HydrophobicContact CD2-CB 4.4Å; L260-L429 HydrophobicContact CD1-CD2 3.52Å; L260-L429 HydrophobicContact CD2-CD2 3.57Å; L260-L429 HydrophobicContact CG-CD2 4.2Å |
| 261 | D | 54.8 | Low | 67.3 | Low | 143 Ų | 143 | 85.6 Ų | 85.6 | 77% | 0.765 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -9.6 | 174.9 | -76.9 | -5.5 | 0 | 0 | 0 | 113 | ||
| 262 | A | 60.9 | Low | 70.1 | Confident | 72 Ų | 72 | 77 Ų | 77 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -17.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L258 L259 L260 | L258-A262 VanDerWaalsContact O-CB 3.26Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 2.94Å; L259-A262 PolarHBondContact O-N 3.39Å; L260-A262 PolarHBondContact O-N 2.76Å; L260-A262 VanDerWaalsContact O-N 3.15Å |
| 263 | L | 81.9 | Confident | 72.6 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | trans | -81.5 | 124.7 | 179.2 | -77.2 | 171.5 | 0 | 0 | 0 | 111 | L259 L260 Q267 P317 | L259-L263 WeakPolarHBondContact O-CG 3.37Å; L259-L263 PolarHBondContact O-N 3.4Å; L260-L263 PolarHBondContact O-N 3.34Å; L263-Q267 HydrophobicContact CD2-CB 3.95Å; L263-P317 HydrophobicContact CD1-CB 3.64Å; L263-P317 HydrophobicContact CD1-CG 3.84Å | ||
| 264 | S | 91.8 | Very high | 75 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | trans | -71 | 154.5 | 172.7 | 80.2 | 0 | 0 | 0 | 0 | 111.3 | E266 Q267 L268 | S264-E266 PolarHBondContact O-N 3.04Å; S264-E266 VanDerWaalsContact O-N 3.11Å; S264-Q267 PolarHBondContact O-N 3.29Å; S264-Q267 WeakPolarHBondContact OG-CG 3.38Å; S264-Q267 PolarHBondContact OG-N 2.81Å; S264-Q267 PolarHBondContact OG-OE1 2.9Å; S264-L268 PolarHBondContact O-N 3.09Å | ||
| 265 | P | 94.5 | Very high | 77.4 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -51.4 | -34 | 172.7 | -31.1 | 37.7 | 0 | 0 | 0 | 113.7 | V269 W439 | P265-V269 VanDerWaalsContact O-CG2 3.3Å; P265-V269 WeakPolarHBondContact O-CG2 3.42Å; P265-V269 PolarHBondContact O-N 3.44Å; P265-W439 HydrophobicContact CB-CB 3.69Å; P265-W439 HydrophobicContact CB-CD2 4.24Å; P265-W439 HydrophobicContact CB-CG 3.69Å |
| 266 | E | 94 | Very high | 79.8 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68 | -45.8 | 176 | -174.4 | 147.9 | -143 | 0 | 0 | 112.3 | S264 V269 L270 W439 | S264-E266 PolarHBondContact O-N 3.04Å; S264-E266 VanDerWaalsContact O-N 3.11Å; E266-V269 PolarHBondContact O-N 3.44Å; E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.03Å; E266-L270 VanDerWaalsContact O-N 3.11Å; E266-W439 HydrophobicContact CB-CH2 3.65Å; E266-W439 HydrophobicContact CB-CZ2 3.41Å; E266-W439 VanDerWaalsContact CB-CZ2 3.41Å; E266-W439 HydrophobicContact CB-CZ3 4.36Å; E266-W439 VanDerWaalsContact CD-CH2 3.45Å; E266-W439 HydrophobicContact CG-CH2 3.49Å; E266-W439 VanDerWaalsContact CG-CH2 3.49Å; E266-W439 HydrophobicContact CG-CZ2 3.57Å; E266-W439 HydrophobicContact CG-CZ3 4.43Å; E266-W439 WeakPolarHBondContact OE1-CH2 3.45Å; E266-W439 WeakPolarHBondContact OE1-CZ2 3.08Å; E266-W439 WeakPolarHBondContact OE2-CZ2 3.44Å |
| 267 | Q | 94.3 | Very high | 82 | Confident | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178 | -71.7 | 164.9 | -31.7 | 0 | 0 | 111.4 | L263 S264 V269 L270 T271 | L263-Q267 HydrophobicContact CD2-CB 3.95Å; S264-Q267 PolarHBondContact O-N 3.29Å; S264-Q267 WeakPolarHBondContact OG-CG 3.38Å; S264-Q267 PolarHBondContact OG-N 2.81Å; S264-Q267 PolarHBondContact OG-OE1 2.9Å; Q267-V269 VanDerWaalsContact C-N 3.34Å; Q267-V269 PolarHBondContact O-N 3.08Å; Q267-L270 PolarHBondContact O-N 2.98Å; Q267-L270 VanDerWaalsContact O-N 3.15Å; Q267-T271 PolarHBondContact O-N 3.2Å; Q267-T271 PolarHBondContact O-OG1 3.26Å |
| 268 | L | 95.6 | Very high | 84.2 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.6 | -178.4 | 55.8 | 0 | 0 | 0 | 111.7 | S264 L270 T271 L272 P317 A432 V433 A436 | S264-L268 PolarHBondContact O-N 3.09Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.3Å; L268-T271 PolarHBondContact O-N 2.84Å; L268-L272 HydrophobicContact CD1-CG 4.49Å; L268-L272 WeakPolarHBondContact O-CG 3.12Å; L268-L272 PolarHBondContact O-N 3.24Å; L268-P317 HydrophobicContact CD1-CB 4.25Å; L268-P317 HydrophobicContact CD1-CG 3.78Å; L268-A432 HydrophobicContact CD2-CB 4.1Å; L268-V433 HydrophobicContact CD2-CG2 4.22Å; L268-A436 HydrophobicContact CD2-CB 4.1Å; L268-A436 HydrophobicContact CG-CB 4.46Å |
| 269 | V | 96.8 | Very high | 86 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | P265 E266 Q267 L272 L273 K395 A436 V440 | P265-V269 VanDerWaalsContact O-CG2 3.3Å; P265-V269 WeakPolarHBondContact O-CG2 3.42Å; P265-V269 PolarHBondContact O-N 3.44Å; E266-V269 PolarHBondContact O-N 3.44Å; Q267-V269 VanDerWaalsContact C-N 3.34Å; Q267-V269 PolarHBondContact O-N 3.08Å; V269-L272 PolarHBondContact O-N 2.97Å; V269-L273 PolarHBondContact O-N 3.45Å; V269-L273 VanDerWaalsContact O-N 3.08Å; V269-K395 HydrophobicContact CG1-CB 3.98Å; V269-K395 HydrophobicContact CG1-CD 3.79Å; V269-K395 HydrophobicContact CG1-CG 3.74Å; V269-A436 HydrophobicContact CG2-CB 3.92Å; V269-V440 HydrophobicContact CG1-CG2 4.29Å; V269-V440 HydrophobicContact CG2-CG2 3.79Å |
| 270 | L | 95.8 | Very high | 87.7 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 40% | 0.398 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 174.3 | -68.4 | 170.5 | 0 | 0 | 0 | 111.6 | E266 Q267 L268 L272 L273 E274 | E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.03Å; E266-L270 VanDerWaalsContact O-N 3.11Å; Q267-L270 PolarHBondContact O-N 2.98Å; Q267-L270 VanDerWaalsContact O-N 3.15Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.3Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 3.19Å; L270-L273 WeakPolarHBondContact O-CB 3.42Å; L270-L273 PolarHBondContact O-N 3.19Å; L270-L273 VanDerWaalsContact O-N 3.12Å; L270-E274 PolarHBondContact O-N 3.01Å |
| 271 | T | 95.6 | Very high | 89.3 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 174.2 | -53 | 0 | 0 | 0 | 0 | 112 | Q267 L268 L273 E274 A275 P317 | Q267-T271 PolarHBondContact O-N 3.2Å; Q267-T271 PolarHBondContact O-OG1 3.26Å; L268-T271 PolarHBondContact O-N 2.84Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.15Å; T271-E274 PolarHBondContact O-N 3.15Å; T271-A275 WeakPolarHBondContact O-CB 3.13Å; T271-A275 PolarHBondContact O-N 2.9Å; T271-P317 HydrophobicContact CG2-CG 3.82Å |
| 272 | L | 96.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -33 | 173.1 | -71.6 | 177 | 0 | 0 | 0 | 112.7 | L268 V269 L270 A275 I316 L398 A402 | L268-L272 HydrophobicContact CD1-CG 4.49Å; L268-L272 WeakPolarHBondContact O-CG 3.12Å; L268-L272 PolarHBondContact O-N 3.24Å; V269-L272 PolarHBondContact O-N 2.97Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 3.19Å; L272-A275 WeakPolarHBondContact O-CB 3.23Å; L272-A275 PolarHBondContact O-N 3.26Å; L272-I316 HydrophobicContact CD2-CD1 4.39Å; L272-I316 HydrophobicContact CD2-CG1 3.95Å; L272-I316 HydrophobicContact CD2-CG2 4.4Å; L272-L398 HydrophobicContact CB-CB 4.27Å; L272-A402 HydrophobicContact CD1-CB 4.07Å; L272-A402 HydrophobicContact CD2-CB 3.9Å |
| 273 | L | 96.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.2 | -45.5 | 175.2 | -179.3 | 67 | 0 | 0 | 0 | 111.5 | V269 L270 T271 A275 E276 H394 L398 | V269-L273 PolarHBondContact O-N 3.45Å; V269-L273 VanDerWaalsContact O-N 3.08Å; L270-L273 WeakPolarHBondContact O-CB 3.42Å; L270-L273 PolarHBondContact O-N 3.19Å; L270-L273 VanDerWaalsContact O-N 3.12Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.15Å; L273-A275 PolarHBondContact O-N 2.91Å; L273-E276 PolarHBondContact O-N 3.04Å; L273-H394 WeakPolarHBondContact CD1-NE2 3.35Å; L273-L398 HydrophobicContact CB-CD1 3.88Å; L273-L398 HydrophobicContact CD1-CD1 3.91Å |
| 274 | E | 94.6 | Very high | 91.6 | Very high | 153 Ų | 153 | 61.4 Ų | 61.4 | 72% | 0.715 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.3 | -19.9 | 172.7 | -66.9 | 173.8 | -172.6 | 0 | 0 | 112.6 | L270 T271 K315 | L270-E274 PolarHBondContact O-N 3.01Å; T271-E274 PolarHBondContact O-N 3.15Å; E274-K315 PolarHBondContact O-NZ 3.18Å; E274-K315 VanDerWaalsContact O-NZ 3.13Å |
| 275 | A | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.8 | -27.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T271 L272 L273 K315 | T271-A275 WeakPolarHBondContact O-CB 3.13Å; T271-A275 PolarHBondContact O-N 2.9Å; L272-A275 WeakPolarHBondContact O-CB 3.23Å; L272-A275 PolarHBondContact O-N 3.26Å; L273-A275 PolarHBondContact O-N 2.91Å; A275-K315 VanDerWaalsContact CA-CD 3.49Å; A275-K315 HydrophobicContact CB-CB 3.89Å; A275-K315 HydrophobicContact CB-CD 3.98Å; A275-K315 WeakPolarHBondContact O-CD 3.4Å; A275-K315 PolarHBondContact O-NZ 3.17Å |
| 276 | E | 94.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 142.9 | -166.3 | -80.5 | -62 | 84.1 | 0 | 0 | 114.3 | L273 W312 L398 K401 | L273-E276 PolarHBondContact O-N 3.04Å; E276-W312 PolarHBondContact OE1-NE1 3.32Å; E276-L398 VanDerWaalsContact CD-CD2 3.42Å; E276-L398 HydrophobicContact CG-CD2 3.4Å; E276-L398 VanDerWaalsContact CG-CD2 3.4Å; E276-K401 IonicContact OE1-NZ 2.73Å; E276-K401 PolarHBondContact OE1-NZ 3.5Å; E276-K401 IonicContact OE2-NZ 3.33Å; E276-K401 PolarHBondContact OE2-NZ 3.33Å |
| 277 | P | 91.5 | Very high | 89.8 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 150.1 | 178.2 | 31.3 | -34.4 | 0 | 0 | 0 | 111 | H308 | P277-H308 HydrophobicContact CB-CB 3.88Š|
| 278 | P | 89.4 | Confident | 89.4 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 157 | 173.5 | 31.2 | -36.1 | 0 | 0 | 0 | 111.3 | V280 | P278-V280 PolarHBondContact O-N 2.96Š|
| 279 | H | 86 | Confident | 89.1 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 68% | 0.676 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 129.3 | 171 | -64.7 | -69.3 | 0 | 0 | 0 | 111 | P358 | H279-P358 HydrophobicContact CB-CG 3.96Š|
| 280 | V | 88.5 | Confident | 88.8 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 139.3 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 110 | P278 L301 K304 E305 H308 A357 P358 | P278-V280 PolarHBondContact O-N 2.96Å; V280-L301 HydrophobicContact CB-CD1 4.04Å; V280-L301 HydrophobicContact CG1-CD1 3.72Å; V280-K304 HydrophobicContact CG1-CB 3.75Å; V280-K304 HydrophobicContact CG1-CD 3.44Å; V280-K304 VanDerWaalsContact CG1-CD 3.44Å; V280-K304 HydrophobicContact CG1-CG 4.29Å; V280-K304 HydrophobicContact CG2-CB 4.45Å; V280-E305 HydrophobicContact CB-CG 4.46Å; V280-E305 HydrophobicContact CG2-CG 3.99Å; V280-H308 VanDerWaalsContact CG2-CD2 3.46Å; V280-H308 WeakPolarHBondContact CG2-CD2 3.46Å; V280-A357 WeakPolarHBondContact O-CB 3.35Å; V280-P358 VanDerWaalsContact O-CD 3.24Å; V280-P358 WeakPolarHBondContact O-CD 3.39Å |
| 281 | L | 86.3 | Confident | 88.5 | Confident | 106 Ų | 106 | 67.8 Ų | 67.8 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | trans | -112.4 | 153.8 | 168.3 | -61.7 | 172.8 | 0 | 0 | 0 | 110 | K304 P358 D359 | L281-K304 PolarHBondContact O-NZ 3.5Å; L281-P358 HydrophobicContact CD2-CB 3.93Å; L281-P358 HydrophobicContact CD2-CG 4.03Å; L281-D359 HydrophobicContact CD2-CB 4.24Å | ||
| 282 | I | 83.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | trans | -134.8 | -14.9 | -172.4 | -162.7 | 154.7 | 0 | 0 | 0 | 116.3 | S297 K300 L301 D359 L360 | I282-S297 WeakPolarHBondContact CD1-O 3.48Å; I282-K300 HydrophobicContact CD1-CB 3.91Å; I282-K300 HydrophobicContact CD1-CD 4.03Å; I282-K300 HydrophobicContact CD1-CG 3.85Å; I282-K300 HydrophobicContact CG1-CD 3.9Å; I282-K300 HydrophobicContact CG1-CG 4.16Å; I282-K300 PolarHBondContact O-NZ 2.81Å; I282-K300 VanDerWaalsContact O-NZ 3.13Å; I282-L301 HydrophobicContact CD1-CB 3.61Å; I282-L301 HydrophobicContact CD1-CD1 4.44Å; I282-L301 VanDerWaalsContact CD1-N 3.27Å; I282-D359 PolarHBondContact N-OD1 3.22Å; I282-D359 PolarHBondContact N-OD2 3.34Å; I282-L360 HydrophobicContact CG2-CB 4.22Å; I282-L360 HydrophobicContact CG2-CD2 4.44Å | ||
| 283 | S | 82 | Confident | 87.9 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 69% | 0.692 | 40% | 0.4 | S | S | * | . | trans | 63.9 | 99.7 | -163.4 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | D359 | S283-D359 WeakPolarHBondContact CA-OD2 3.34Å; S283-D359 PolarHBondContact N-OD2 2.95Å | ||
| 284 | R | 82 | Confident | 87.7 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 132.8 | 177.2 | -166.2 | -173 | -178.1 | 158.8 | 1.3 | 111 | F289 D359 L360 V361 E366 | R284-F289 HydrophobicContact CG-CZ 4.25Å; R284-D359 WeakPolarHBondContact CB-O 3.4Å; R284-D359 WeakPolarHBondContact CD-O 3.16Å; R284-L360 HydrophobicContact CG-CD1 4.06Å; R284-V361 PolarHBondContact NH2-O 3.2Å; R284-E366 IonicContact CZ-OE1 2.65Å; R284-E366 IonicContact NH2-OE1 3.58Å; R284-E366 PolarHBondContact NH2-OE1 3.33Å; R284-E366 IonicContact NH2-OE2 3.75Å; R284-E366 PolarHBondContact NH2-OE2 2.82Å |
| 285 | P | 81.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 156.8 | 167.4 | -25 | 34.1 | 0 | 0 | 0 | 113 | A287 F289 S297 | P285-A287 PolarHBondContact O-N 2.92Å; P285-F289 HydrophobicContact CB-CD1 4.31Å; P285-F289 HydrophobicContact CB-CE1 3.94Å; P285-F289 HydrophobicContact CG-CD1 4.38Å; P285-F289 HydrophobicContact CG-CE1 3.81Å; P285-S297 WeakPolarHBondContact CG-OG 3.32Å |
| 286 | S | 79.7 | Confident | 87.3 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 128.2 | 164.8 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 287 | A | 81.2 | Confident | 87.2 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -69.9 | 153.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P285 | P285-A287 PolarHBondContact O-N 2.92Š|
| 288 | P | 85.4 | Confident | 87.3 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 78% | 0.779 | 35% | 0.351 | S | S | * | . | S | Bend | cis | -74.8 | 149.3 | -1.5 | 32.2 | -35.8 | 0 | 0 | 0 | 112.9 | ||
| 289 | F | 88.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 134.9 | 174.1 | -69.9 | -79.3 | 0 | 0 | 0 | 111.7 | R284 P285 M294 L360 L362 E366 C369 | R284-F289 HydrophobicContact CG-CZ 4.25Å; P285-F289 HydrophobicContact CB-CD1 4.31Å; P285-F289 HydrophobicContact CB-CE1 3.94Å; P285-F289 HydrophobicContact CG-CD1 4.38Å; P285-F289 HydrophobicContact CG-CE1 3.81Å; F289-M294 HydrophobicContact CB-CB 4.37Å; F289-M294 HydrophobicContact CB-CE 3.99Å; F289-M294 HydrophobicContact CD1-CB 4.2Å; F289-M294 HydrophobicContact CD1-CE 4.19Å; F289-M294 HydrophobicContact CD2-CE 3.76Å; F289-M294 HydrophobicContact CE2-CE 4.22Å; F289-M294 HydrophobicContact CG-CE 3.74Å; F289-L360 HydrophobicContact CE1-CD1 4.45Å; F289-L360 HydrophobicContact CZ-CD1 4.02Å; F289-L362 HydrophobicContact CD2-CD2 4.31Å; F289-L362 HydrophobicContact CE2-CD2 3.52Å; F289-L362 HydrophobicContact CZ-CD2 3.69Å; F289-E366 HydrophobicContact CD2-CB 4.28Å; F289-E366 HydrophobicContact CE2-CB 4.49Å; F289-E366 WeakPolarHBondContact CE2-OE1 3.18Å; F289-C369 HydrophobicContact CB-CB 4.49Å; F289-C369 VanDerWaalsContact CB-SG 3.56Å; F289-C369 WeakPolarHBondContact O-CB 3.33Å |
| 290 | T | 91.2 | Very high | 87.7 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -94 | 157.3 | 158.2 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | A292 S293 M294 | T290-A292 VanDerWaalsContact C-N 3.33Å; T290-A292 PolarHBondContact O-N 2.75Å; T290-S293 PolarHBondContact N-OG 3.36Å; T290-S293 PolarHBondContact O-N 3.48Å; T290-S293 PolarHBondContact O-OG 2.95Å; T290-S293 WeakPolarHBondContact OG1-CB 3.31Å; T290-S293 PolarHBondContact OG1-N 3.42Å; T290-S293 PolarHBondContact OG1-OG 3.28Å; T290-M294 PolarHBondContact O-N 2.71Å |
| 291 | E | 90.6 | Very high | 87.9 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -46.3 | -54 | 178.7 | -173.3 | 166.1 | -125.6 | 0 | 0 | 112.7 | S293 M294 M295 C369 V370 E371 M479 V484 | E291-S293 PolarHBondContact O-N 3.01Å; E291-M294 PolarHBondContact O-N 2.79Å; E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 WeakPolarHBondContact O-CG 3.36Å; E291-M295 PolarHBondContact O-N 3.45Å; E291-C369 WeakPolarHBondContact CA-O 3.19Å; E291-C369 WeakPolarHBondContact CB-O 3.3Å; E291-C369 PolarHBondContact N-O 3.41Å; E291-V370 HydrophobicContact CG-CB 4.29Å; E291-V370 HydrophobicContact CG-CG1 4.15Å; E291-V370 HydrophobicContact CG-CG2 4.15Å; E291-E371 PolarHBondContact OE1-N 3.09Å; E291-M479 HydrophobicContact CG-CE 3.76Å; E291-M479 WeakPolarHBondContact OE1-CE 3.42Å; E291-V484 HydrophobicContact CG-CG1 4.2Å |
| 292 | A | 88.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | T290 M296 V484 | T290-A292 VanDerWaalsContact C-N 3.33Å; T290-A292 PolarHBondContact O-N 2.75Å; A292-M296 WeakPolarHBondContact O-CB 3.34Å; A292-M296 PolarHBondContact O-N 3.46Å; A292-V484 HydrophobicContact CB-CG1 4.32Å |
| 293 | S | 90.6 | Very high | 88.7 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 179.2 | 72.9 | 0 | 0 | 0 | 0 | 113 | T290 E291 S297 | T290-S293 PolarHBondContact N-OG 3.36Å; T290-S293 PolarHBondContact O-N 3.48Å; T290-S293 PolarHBondContact O-OG 2.95Å; T290-S293 WeakPolarHBondContact OG1-CB 3.31Å; T290-S293 PolarHBondContact OG1-N 3.42Å; T290-S293 PolarHBondContact OG1-OG 3.28Å; E291-S293 PolarHBondContact O-N 3.01Å; S293-S297 PolarHBondContact O-N 3.43Å; S293-S297 PolarHBondContact O-OG 3.35Å |
| 294 | M | 91.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -52.8 | 175 | 177.6 | 164.2 | -69.1 | 0 | 0 | 109.9 | F289 T290 E291 M296 S297 L298 L362 E366 V370 | F289-M294 HydrophobicContact CB-CB 4.37Å; F289-M294 HydrophobicContact CB-CE 3.99Å; F289-M294 HydrophobicContact CD1-CB 4.2Å; F289-M294 HydrophobicContact CD1-CE 4.19Å; F289-M294 HydrophobicContact CD2-CE 3.76Å; F289-M294 HydrophobicContact CE2-CE 4.22Å; F289-M294 HydrophobicContact CG-CE 3.74Å; T290-M294 PolarHBondContact O-N 2.71Å; E291-M294 PolarHBondContact O-N 2.79Å; M294-M296 VanDerWaalsContact C-N 3.35Å; M294-M296 PolarHBondContact O-N 3.18Å; M294-S297 WeakPolarHBondContact O-CA 3.46Å; M294-S297 WeakPolarHBondContact O-CB 3.27Å; M294-S297 PolarHBondContact O-N 2.7Å; M294-L298 HydrophobicContact CG-CD1 3.92Å; M294-L298 HydrophobicContact CG-CG 4.35Å; M294-L298 WeakPolarHBondContact O-CG 3.19Å; M294-L298 PolarHBondContact O-N 2.92Å; M294-L362 HydrophobicContact CE-CD1 3.77Å; M294-L362 HydrophobicContact CE-CD2 3.71Å; M294-L362 HydrophobicContact CE-CG 4.37Å; M294-L362 HydrophobicContact CG-CD1 4.48Å; M294-L362 HydrophobicContact SD-CD1 4.05Å; M294-E366 HydrophobicContact CE-CB 4.36Å; M294-E366 VanDerWaalsContact CE-O 3.29Å; M294-E366 WeakPolarHBondContact CE-O 3.5Å; M294-V370 HydrophobicContact CB-CG2 3.99Å; M294-V370 HydrophobicContact CG-CG2 3.98Å; M294-V370 HydrophobicContact SD-CG2 3.83Å |
| 295 | M | 91.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | -177 | -70 | -56.2 | -66.6 | 0 | 0 | 112.6 | E291 S297 L298 T299 V370 I373 L476 M479 V485 | E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 WeakPolarHBondContact O-CG 3.36Å; E291-M295 PolarHBondContact O-N 3.45Å; M295-S297 VanDerWaalsContact C-N 3.29Å; M295-S297 PolarHBondContact O-N 2.76Å; M295-L298 PolarHBondContact O-N 3.23Å; M295-L298 HydrophobicContact SD-CD1 3.94Å; M295-T299 WeakPolarHBondContact O-CG2 3.43Å; M295-T299 PolarHBondContact O-N 3.35Å; M295-T299 PolarHBondContact O-OG1 3.49Å; M295-V370 HydrophobicContact CG-CG1 3.83Å; M295-V370 HydrophobicContact CG-CG2 3.84Å; M295-V370 HydrophobicContact SD-CG1 3.87Å; M295-V370 HydrophobicContact SD-CG2 4.16Å; M295-I373 HydrophobicContact SD-CD1 4.02Å; M295-L476 HydrophobicContact CE-CD2 3.83Å; M295-M479 HydrophobicContact CE-CB 4.41Å; M295-M479 HydrophobicContact CE-CG 4.19Å; M295-M479 HydrophobicContact CG-CE 4.27Å; M295-V485 HydrophobicContact CB-CB 4.47Å; M295-V485 HydrophobicContact CB-CG2 3.48Å; M295-V485 VanDerWaalsContact CB-CG2 3.48Å |
| 296 | M | 90.2 | Very high | 90.6 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 35% | 0.345 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 171 | -178.1 | 76.7 | 73.3 | 0 | 0 | 111.9 | A292 M294 T299 K300 V485 P486 | A292-M296 WeakPolarHBondContact O-CB 3.34Å; A292-M296 PolarHBondContact O-N 3.46Å; M294-M296 VanDerWaalsContact C-N 3.35Å; M294-M296 PolarHBondContact O-N 3.18Å; M296-T299 PolarHBondContact O-OG1 2.76Å; M296-K300 WeakPolarHBondContact O-CB 3.34Å; M296-K300 PolarHBondContact O-N 3.33Å; M296-K300 VanDerWaalsContact O-N 3.15Å; M296-V485 HydrophobicContact CB-CG1 4.28Å; M296-V485 HydrophobicContact SD-CG1 4.23Å; M296-P486 HydrophobicContact CE-CG 3.74Å; M296-P486 HydrophobicContact SD-CG 3.91Å |
| 297 | S | 91.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | I282 P285 S293 M294 M295 L301 | I282-S297 WeakPolarHBondContact CD1-O 3.48Å; P285-S297 WeakPolarHBondContact CG-OG 3.32Å; S293-S297 PolarHBondContact O-N 3.43Å; S293-S297 PolarHBondContact O-OG 3.35Å; M294-S297 WeakPolarHBondContact O-CA 3.46Å; M294-S297 WeakPolarHBondContact O-CB 3.27Å; M294-S297 PolarHBondContact O-N 2.7Å; M295-S297 VanDerWaalsContact C-N 3.29Å; M295-S297 PolarHBondContact O-N 2.76Å; S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.95Å |
| 298 | L | 93.6 | Very high | 92 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.8 | -41.7 | 179.4 | -65.2 | 176.9 | 0 | 0 | 0 | 112.7 | M294 M295 L301 A302 F356 L360 L362 I373 | M294-L298 HydrophobicContact CG-CD1 3.92Å; M294-L298 HydrophobicContact CG-CG 4.35Å; M294-L298 WeakPolarHBondContact O-CG 3.19Å; M294-L298 PolarHBondContact O-N 2.92Å; M295-L298 PolarHBondContact O-N 3.23Å; M295-L298 HydrophobicContact SD-CD1 3.94Å; L298-L301 PolarHBondContact O-N 3.02Å; L298-A302 WeakPolarHBondContact O-CB 3.35Å; L298-A302 PolarHBondContact O-N 2.98Å; L298-F356 HydrophobicContact CD2-CD1 3.46Å; L298-F356 VanDerWaalsContact CD2-CD1 3.46Å; L298-F356 HydrophobicContact CD2-CD2 4.49Å; L298-F356 HydrophobicContact CD2-CE1 3.59Å; L298-F356 HydrophobicContact CD2-CG 3.94Å; L298-F356 HydrophobicContact CD2-CZ 4.18Å; L298-L360 HydrophobicContact CD2-CD2 4.24Å; L298-L362 HydrophobicContact CD2-CD1 4.44Å; L298-I373 HydrophobicContact CD1-CD1 3.88Å |
| 299 | T | 92.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | M295 M296 L301 A302 D303 L476 V485 L491 | M295-T299 WeakPolarHBondContact O-CG2 3.43Å; M295-T299 PolarHBondContact O-N 3.35Å; M295-T299 PolarHBondContact O-OG1 3.49Å; M296-T299 PolarHBondContact O-OG1 2.76Å; T299-L301 PolarHBondContact O-N 2.98Å; T299-A302 PolarHBondContact O-N 3.37Å; T299-D303 WeakPolarHBondContact O-CB 3.36Å; T299-D303 PolarHBondContact O-N 3.13Å; T299-L476 HydrophobicContact CG2-CD2 4.3Å; T299-V485 HydrophobicContact CG2-CG1 3.91Å; T299-V485 WeakPolarHBondContact OG1-CG1 3.24Å; T299-L491 HydrophobicContact CG2-CD2 4.05Å |
| 300 | K | 90.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 32% | 0.322 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -24.9 | 175.1 | -178.6 | -170.3 | 174.8 | -157 | 0 | 112.8 | I282 M296 K304 Y488 | I282-K300 HydrophobicContact CD1-CB 3.91Å; I282-K300 HydrophobicContact CD1-CD 4.03Å; I282-K300 HydrophobicContact CD1-CG 3.85Å; I282-K300 HydrophobicContact CG1-CD 3.9Å; I282-K300 HydrophobicContact CG1-CG 4.16Å; I282-K300 PolarHBondContact O-NZ 2.81Å; I282-K300 VanDerWaalsContact O-NZ 3.13Å; M296-K300 WeakPolarHBondContact O-CB 3.34Å; M296-K300 PolarHBondContact O-N 3.33Å; M296-K300 VanDerWaalsContact O-N 3.15Å; K300-K304 WeakPolarHBondContact O-CG 3.46Å; K300-Y488 HydrophobicContact CB-CE2 3.69Å; K300-Y488 HydrophobicContact CG-CE2 4.29Å |
| 301 | L | 94.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -77.2 | -49.2 | 171.3 | -178 | 61.5 | 0 | 0 | 0 | 111 | V280 I282 S297 L298 T299 D303 K304 E305 F356 A357 L360 | V280-L301 HydrophobicContact CB-CD1 4.04Å; V280-L301 HydrophobicContact CG1-CD1 3.72Å; I282-L301 HydrophobicContact CD1-CB 3.61Å; I282-L301 HydrophobicContact CD1-CD1 4.44Å; I282-L301 VanDerWaalsContact CD1-N 3.27Å; S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.95Å; L298-L301 PolarHBondContact O-N 3.02Å; T299-L301 PolarHBondContact O-N 2.98Å; L301-D303 VanDerWaalsContact C-N 3.3Å; L301-D303 PolarHBondContact O-N 3.18Å; L301-K304 PolarHBondContact O-N 3.33Å; L301-E305 HydrophobicContact CD1-CG 4.16Å; L301-E305 HydrophobicContact CG-CG 4.35Å; L301-E305 PolarHBondContact O-N 3.32Å; L301-F356 HydrophobicContact CD2-CB 3.72Å; L301-F356 HydrophobicContact CD2-CD1 4.41Å; L301-F356 WeakPolarHBondContact CD2-O 3.22Å; L301-A357 HydrophobicContact CD1-CB 4.24Å; L301-A357 HydrophobicContact CD2-CB 4.43Å; L301-L360 HydrophobicContact CD2-CD2 4.49Å |
| 302 | A | 94.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | L298 T299 E305 L306 L339 L491 | L298-A302 WeakPolarHBondContact O-CB 3.35Å; L298-A302 PolarHBondContact O-N 2.98Å; T299-A302 PolarHBondContact O-N 3.37Å; A302-E305 PolarHBondContact O-N 3.36Å; A302-L306 WeakPolarHBondContact O-CB 3.39Å; A302-L306 VanDerWaalsContact O-CG 3.22Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 3.49Å; A302-L339 HydrophobicContact CB-CD1 3.89Å; A302-L491 HydrophobicContact CB-CD1 4.02Å; A302-L491 HydrophobicContact CB-CD2 4.19Å |
| 303 | D | 92.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 175.5 | -173.8 | 77.3 | 0 | 0 | 0 | 112.6 | T299 L301 L306 V307 Y488 L491 | T299-D303 WeakPolarHBondContact O-CB 3.36Å; T299-D303 PolarHBondContact O-N 3.13Å; L301-D303 VanDerWaalsContact C-N 3.3Å; L301-D303 PolarHBondContact O-N 3.18Å; D303-L306 WeakPolarHBondContact O-CB 3.48Å; D303-L306 PolarHBondContact O-N 3.42Å; D303-V307 PolarHBondContact O-N 3.33Å; D303-Y488 HydrophobicContact CB-CD2 3.98Å; D303-Y488 HydrophobicContact CB-CG 4.21Å; D303-Y488 VanDerWaalsContact OD1-CB 3.29Å; D303-Y488 WeakPolarHBondContact OD1-CB 3.48Å; D303-L491 HydrophobicContact CB-CB 4.44Å |
| 304 | K | 92.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 33.8 Ų | 33.8 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.1 | -70.1 | -176 | -178 | -164.9 | 0 | 112.5 | V280 L281 K300 L301 L306 V307 H308 | V280-K304 HydrophobicContact CG1-CB 3.75Å; V280-K304 HydrophobicContact CG1-CD 3.44Å; V280-K304 VanDerWaalsContact CG1-CD 3.44Å; V280-K304 HydrophobicContact CG1-CG 4.29Å; V280-K304 HydrophobicContact CG2-CB 4.45Å; L281-K304 PolarHBondContact O-NZ 3.5Å; K300-K304 WeakPolarHBondContact O-CG 3.46Å; L301-K304 PolarHBondContact O-N 3.33Å; K304-L306 VanDerWaalsContact C-N 3.27Å; K304-L306 PolarHBondContact O-N 3.14Å; K304-V307 PolarHBondContact O-N 3.22Å; K304-H308 PolarHBondContact O-CD2 2.9Å; K304-H308 PolarHBondContact O-N 3.12Å |
| 305 | E | 95.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -30.5 | 178.6 | -68.3 | -158.2 | 101.8 | 0 | 0 | 111.8 | V280 L301 A302 H308 M309 L339 R346 | V280-E305 HydrophobicContact CB-CG 4.46Å; V280-E305 HydrophobicContact CG2-CG 3.99Å; L301-E305 HydrophobicContact CD1-CG 4.16Å; L301-E305 HydrophobicContact CG-CG 4.35Å; L301-E305 PolarHBondContact O-N 3.32Å; A302-E305 PolarHBondContact O-N 3.36Å; E305-H308 CarbonylContact O-C 3.56Å; E305-H308 PolarHBondContact O-N 2.83Å; E305-M309 WeakPolarHBondContact O-CB 3.34Å; E305-M309 PolarHBondContact O-N 3.25Å; E305-L339 HydrophobicContact CB-CD2 3.39Å; E305-L339 HydrophobicContact CG-CD2 4.42Å; E305-R346 IonicContact OE1-CZ 2.66Å; E305-R346 VanDerWaalsContact OE1-CZ 3.28Å; E305-R346 IonicContact OE1-NH1 3.28Å; E305-R346 PolarHBondContact OE1-NH1 2.95Å; E305-R346 IonicContact OE1-NH2 3.44Å; E305-R346 PolarHBondContact OE1-NH2 3.31Å; E305-R346 IonicContact OE2-CZ 2.76Å; E305-R346 IonicContact OE2-NH2 2.68Å; E305-R346 PolarHBondContact OE2-NH2 3.43Å |
| 306 | L | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 172 | -80.5 | 170.4 | 0 | 0 | 0 | 112.2 | A302 D303 K304 H308 M309 I310 W335 L490 L491 M494 | A302-L306 WeakPolarHBondContact O-CB 3.39Å; A302-L306 VanDerWaalsContact O-CG 3.22Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 3.49Å; D303-L306 WeakPolarHBondContact O-CB 3.48Å; D303-L306 PolarHBondContact O-N 3.42Å; K304-L306 VanDerWaalsContact C-N 3.27Å; K304-L306 PolarHBondContact O-N 3.14Å; L306-H308 VanDerWaalsContact C-N 3.27Å; L306-H308 PolarHBondContact O-N 3.46Å; L306-M309 WeakPolarHBondContact O-CB 3.5Å; L306-M309 PolarHBondContact O-N 3.23Å; L306-M309 VanDerWaalsContact O-N 3.12Å; L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.95Å; L306-W335 HydrophobicContact CD1-CE3 4.41Å; L306-W335 HydrophobicContact CD2-CB 3.64Å; L306-W335 HydrophobicContact CD2-CD2 4.09Å; L306-W335 HydrophobicContact CD2-CE3 3.95Å; L306-W335 HydrophobicContact CD2-CG 4.02Å; L306-W335 HydrophobicContact CG-CE3 4.43Å; L306-L490 HydrophobicContact CB-CD2 3.87Å; L306-L490 HydrophobicContact CB-CG 4.37Å; L306-L490 HydrophobicContact CD1-CG 4.41Å; L306-L491 HydrophobicContact CD1-CB 4.05Å; L306-L491 HydrophobicContact CD1-CD1 3.65Å; L306-L491 HydrophobicContact CD1-CG 4.46Å; L306-M494 HydrophobicContact CD1-CB 4.48Å; L306-M494 HydrophobicContact CD1-CG 4.34Å; L306-M494 HydrophobicContact CD2-CE 3.99Å; L306-M494 HydrophobicContact CD2-CG 4.4Å |
| 307 | V | 94.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.1 | D303 K304 S311 L490 | D303-V307 PolarHBondContact O-N 3.33Å; K304-V307 PolarHBondContact O-N 3.22Å; V307-S311 PolarHBondContact O-N 3.28Å; V307-S311 PolarHBondContact O-OG 2.91Å; V307-L490 HydrophobicContact CG2-CD2 3.71Å |
| 308 | H | 96.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.4 | -34.1 | 174.4 | -68.2 | -59.4 | 0 | 0 | 0 | 113.1 | P277 V280 K304 E305 L306 S311 W312 | P277-H308 HydrophobicContact CB-CB 3.88Å; V280-H308 VanDerWaalsContact CG2-CD2 3.46Å; V280-H308 WeakPolarHBondContact CG2-CD2 3.46Å; K304-H308 PolarHBondContact O-CD2 2.9Å; K304-H308 PolarHBondContact O-N 3.12Å; E305-H308 CarbonylContact O-C 3.56Å; E305-H308 PolarHBondContact O-N 2.83Å; L306-H308 VanDerWaalsContact C-N 3.27Å; L306-H308 PolarHBondContact O-N 3.46Å; H308-S311 WeakPolarHBondContact O-CB 3.47Å; H308-S311 PolarHBondContact O-N 3.46Å; H308-W312 WeakPolarHBondContact O-CB 3.33Å; H308-W312 PolarHBondContact O-N 3.45Å |
| 309 | M | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.7 | 176.6 | 178.1 | 170.8 | 0 | 0 | 112 | E305 L306 S311 W312 A313 L331 W335 V338 L405 | E305-M309 WeakPolarHBondContact O-CB 3.34Å; E305-M309 PolarHBondContact O-N 3.25Å; L306-M309 WeakPolarHBondContact O-CB 3.5Å; L306-M309 PolarHBondContact O-N 3.23Å; L306-M309 VanDerWaalsContact O-N 3.12Å; M309-S311 PolarHBondContact O-N 3.11Å; M309-W312 HydrophobicContact CG-CE3 4.13Å; M309-W312 HydrophobicContact CG-CZ3 4.45Å; M309-W312 PolarHBondContact O-N 3.25Å; M309-A313 WeakPolarHBondContact O-CB 3.4Å; M309-A313 PolarHBondContact O-N 3.23Å; M309-L331 HydrophobicContact CE-CD2 3.8Å; M309-L331 HydrophobicContact CG-CD2 4.3Å; M309-W335 HydrophobicContact CE-CB 4.21Å; M309-W335 HydrophobicContact SD-CB 3.95Å; M309-V338 HydrophobicContact CE-CB 3.7Å; M309-V338 HydrophobicContact CE-CG1 4.05Å; M309-V338 HydrophobicContact CE-CG2 3.57Å; M309-V338 HydrophobicContact CG-CG1 4.1Å; M309-V338 HydrophobicContact SD-CB 3.69Å; M309-V338 HydrophobicContact SD-CG1 3.77Å; M309-V338 HydrophobicContact SD-CG2 4.27Å; M309-L405 HydrophobicContact CE-CD1 4.32Å |
| 310 | I | 95.7 | Very high | 94.6 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -37 | 175.2 | -65.5 | 162.8 | 0 | 0 | 0 | 110.3 | L306 K314 L331 L490 | L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.95Å; I310-K314 WeakPolarHBondContact O-CD 3.34Å; I310-K314 WeakPolarHBondContact O-CG 3.37Å; I310-K314 PolarHBondContact O-N 3.06Å; I310-L331 HydrophobicContact CG1-CD1 4.25Å; I310-L490 HydrophobicContact CD1-CD1 4.01Å; I310-L490 HydrophobicContact CD1-CD2 3.92Å |
| 311 | S | 96.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 37 Ų | 37 | 42% | 0.42 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.7 | -38.6 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | V307 H308 M309 | V307-S311 PolarHBondContact O-N 3.28Å; V307-S311 PolarHBondContact O-OG 2.91Å; H308-S311 WeakPolarHBondContact O-CB 3.47Å; H308-S311 PolarHBondContact O-N 3.46Å; M309-S311 PolarHBondContact O-N 3.11Å |
| 312 | W | 97.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 174.5 | 163.5 | 85 | 0 | 0 | 0 | 111.9 | E276 H308 M309 K314 K315 I316 V338 K401 L405 | E276-W312 PolarHBondContact OE1-NE1 3.32Å; H308-W312 WeakPolarHBondContact O-CB 3.33Å; H308-W312 PolarHBondContact O-N 3.45Å; M309-W312 HydrophobicContact CG-CE3 4.13Å; M309-W312 HydrophobicContact CG-CZ3 4.45Å; M309-W312 PolarHBondContact O-N 3.25Å; W312-K314 VanDerWaalsContact C-N 3.27Å; W312-K314 PolarHBondContact O-N 2.84Å; W312-K315 WeakPolarHBondContact O-CB 3.35Å; W312-K315 PolarHBondContact O-N 3.09Å; W312-I316 HydrophobicContact CD2-CD1 4.26Å; W312-I316 HydrophobicContact CE3-CD1 4.34Å; W312-I316 HydrophobicContact CH2-CD1 3.86Å; W312-I316 HydrophobicContact CZ2-CD1 3.76Å; W312-I316 HydrophobicContact CZ3-CD1 4.16Å; W312-V338 HydrophobicContact CE3-CG1 4.44Å; W312-V338 HydrophobicContact CH2-CG1 4.21Å; W312-V338 HydrophobicContact CZ3-CG1 3.91Å; W312-V338 HydrophobicContact CZ3-CG2 4.37Å; W312-K401 HydrophobicContact CH2-CD 4.3Å; W312-K401 HydrophobicContact CH2-CG 3.9Å; W312-K401 HydrophobicContact CZ2-CB 4.37Å; W312-K401 HydrophobicContact CZ2-CD 3.6Å; W312-K401 HydrophobicContact CZ2-CG 3.62Å; W312-L405 HydrophobicContact CH2-CB 4.15Å; W312-L405 HydrophobicContact CH2-CD2 4.29Å; W312-L405 HydrophobicContact CZ3-CB 4.19Å; W312-L405 HydrophobicContact CZ3-CD2 3.91Å; W312-L405 HydrophobicContact CZ3-CG 4.48Å |
| 313 | A | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M309 K315 I316 F319 L331 L405 | M309-A313 WeakPolarHBondContact O-CB 3.4Å; M309-A313 PolarHBondContact O-N 3.23Å; A313-K315 PolarHBondContact O-N 2.89Å; A313-I316 WeakPolarHBondContact O-CB 3.39Å; A313-I316 PolarHBondContact O-N 2.99Å; A313-I316 VanDerWaalsContact O-N 3.07Å; A313-F319 HydrophobicContact CB-CD1 4.12Å; A313-F319 HydrophobicContact CB-CE1 3.79Å; A313-F319 HydrophobicContact CB-CE2 4.42Å; A313-F319 HydrophobicContact CB-CZ 3.96Å; A313-F319 WeakPolarHBondContact O-CB 3.43Å; A313-F319 VanDerWaalsContact O-CD1 3.29Å; A313-F319 WeakPolarHBondContact O-CD1 3.49Å; A313-F319 WeakPolarHBondContact O-CG 3.32Å; A313-L331 HydrophobicContact CB-CD2 3.85Å; A313-L405 HydrophobicContact CB-CD2 3.76Å |
| 314 | K | 95.6 | Very high | 93.9 | Very high | 117 Ų | 117 | 43.5 Ų | 43.5 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15 | 175.8 | -71.7 | 170.3 | -176.8 | 174.1 | 0 | 114.7 | I310 W312 V320 | I310-K314 WeakPolarHBondContact O-CD 3.34Å; I310-K314 WeakPolarHBondContact O-CG 3.37Å; I310-K314 PolarHBondContact O-N 3.06Å; W312-K314 VanDerWaalsContact C-N 3.27Å; W312-K314 PolarHBondContact O-N 2.84Å; K314-V320 HydrophobicContact CB-CG1 4.16Å; K314-V320 HydrophobicContact CG-CG1 4.24Å |
| 315 | K | 95.1 | Very high | 93.7 | Very high | 102 Ų | 102 | 45.7 Ų | 45.7 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14.8 | 172.4 | -60.7 | 179.9 | -173.9 | 175.1 | 0 | 113.2 | E274 A275 W312 A313 P317 | E274-K315 PolarHBondContact O-NZ 3.18Å; E274-K315 VanDerWaalsContact O-NZ 3.13Å; A275-K315 VanDerWaalsContact CA-CD 3.49Å; A275-K315 HydrophobicContact CB-CB 3.89Å; A275-K315 HydrophobicContact CB-CD 3.98Å; A275-K315 WeakPolarHBondContact O-CD 3.4Å; A275-K315 PolarHBondContact O-NZ 3.17Å; W312-K315 WeakPolarHBondContact O-CB 3.35Å; W312-K315 PolarHBondContact O-N 3.09Å; A313-K315 PolarHBondContact O-N 2.89Å; K315-P317 WeakPolarHBondContact O-CD 3.39Å |
| 316 | I | 95 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -71.9 | 124.1 | -179.1 | -64.6 | 174.4 | 0 | 0 | 0 | 108.7 | L272 W312 A313 G318 F319 A402 L405 | L272-I316 HydrophobicContact CD2-CD1 4.39Å; L272-I316 HydrophobicContact CD2-CG1 3.95Å; L272-I316 HydrophobicContact CD2-CG2 4.4Å; W312-I316 HydrophobicContact CD2-CD1 4.26Å; W312-I316 HydrophobicContact CE3-CD1 4.34Å; W312-I316 HydrophobicContact CH2-CD1 3.86Å; W312-I316 HydrophobicContact CZ2-CD1 3.76Å; W312-I316 HydrophobicContact CZ3-CD1 4.16Å; A313-I316 WeakPolarHBondContact O-CB 3.39Å; A313-I316 PolarHBondContact O-N 2.99Å; A313-I316 VanDerWaalsContact O-N 3.07Å; I316-G318 PolarHBondContact O-N 3.43Å; I316-F319 HydrophobicContact CB-CB 4.27Å; I316-F319 WeakPolarHBondContact O-CB 3.24Å; I316-F319 PolarHBondContact O-N 2.9Å; I316-F319 VanDerWaalsContact O-N 3.12Å; I316-A402 HydrophobicContact CD1-CB 4.46Å; I316-L405 HydrophobicContact CD1-CD2 3.59Å |
| 317 | P | 92.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 130.5 | -179.2 | -29.5 | 37.1 | 0 | 0 | 0 | 112.4 | L260 L263 L268 T271 K315 F319 | L260-P317 HydrophobicContact CD2-CB 4.4Å; L263-P317 HydrophobicContact CD1-CB 3.64Å; L263-P317 HydrophobicContact CD1-CG 3.84Å; L268-P317 HydrophobicContact CD1-CB 4.25Å; L268-P317 HydrophobicContact CD1-CG 3.78Å; T271-P317 HydrophobicContact CG2-CG 3.82Å; K315-P317 WeakPolarHBondContact O-CD 3.39Å; P317-F319 VanDerWaalsContact C-N 3.3Å; P317-F319 PolarHBondContact O-N 2.91Å |
| 318 | G | 90.8 | Very high | 93 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -11.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | I316 E321 | I316-G318 PolarHBondContact O-N 3.43Å; G318-E321 VanDerWaalsContact C-OE2 3.29Å; G318-E321 WeakPolarHBondContact CA-OE2 3.35Å; G318-E321 PolarHBondContact N-OE2 2.9Å; G318-E321 PolarHBondContact O-N 3.47Å |
| 319 | F | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -38.9 | 179.6 | -175.8 | -95.2 | 0 | 0 | 0 | 111.9 | A313 I316 P317 E321 L322 Q327 L330 L331 L405 | A313-F319 HydrophobicContact CB-CD1 4.12Å; A313-F319 HydrophobicContact CB-CE1 3.79Å; A313-F319 HydrophobicContact CB-CE2 4.42Å; A313-F319 HydrophobicContact CB-CZ 3.96Å; A313-F319 WeakPolarHBondContact O-CB 3.43Å; A313-F319 VanDerWaalsContact O-CD1 3.29Å; A313-F319 WeakPolarHBondContact O-CD1 3.49Å; A313-F319 WeakPolarHBondContact O-CG 3.32Å; I316-F319 HydrophobicContact CB-CB 4.27Å; I316-F319 WeakPolarHBondContact O-CB 3.24Å; I316-F319 PolarHBondContact O-N 2.9Å; I316-F319 VanDerWaalsContact O-N 3.12Å; P317-F319 VanDerWaalsContact C-N 3.3Å; P317-F319 PolarHBondContact O-N 2.91Å; F319-E321 VanDerWaalsContact C-N 3.25Å; F319-E321 PolarHBondContact O-N 3.06Å; F319-L322 HydrophobicContact CD2-CD1 4.27Å; F319-L322 WeakPolarHBondContact O-CB 3.4Å; F319-L322 PolarHBondContact O-N 2.64Å; F319-Q327 HydrophobicContact CD1-CG 4.09Å; F319-Q327 HydrophobicContact CE1-CB 3.79Å; F319-Q327 HydrophobicContact CE1-CG 3.68Å; F319-Q327 HydrophobicContact CZ-CB 3.78Å; F319-Q327 HydrophobicContact CZ-CG 3.95Å; F319-Q327 WeakPolarHBondContact O-CG 3.31Å; F319-Q327 PolarHBondContact O-NE2 3.28Å; F319-L330 HydrophobicContact CD2-CD1 4.43Å; F319-L330 HydrophobicContact CE2-CB 4.31Å; F319-L330 HydrophobicContact CE2-CD1 3.84Å; F319-L331 HydrophobicContact CZ-CD1 4.25Å; F319-L331 HydrophobicContact CZ-CG 4.14Å; F319-L405 HydrophobicContact CD2-CD2 3.86Å; F319-L405 HydrophobicContact CD2-CG 4.43Å; F319-L405 HydrophobicContact CE2-CD1 4.04Å; F319-L405 HydrophobicContact CE2-CD2 3.81Å; F319-L405 HydrophobicContact CE2-CG 4.05Å |
| 320 | V | 92.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 44.5 Ų | 44.5 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | K314 Q327 | K314-V320 HydrophobicContact CB-CG1 4.16Å; K314-V320 HydrophobicContact CG-CG1 4.24Å; V320-Q327 PolarHBondContact O-NE2 3.23Å |
| 321 | E | 89.4 | Confident | 92.4 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.6 | 173.7 | -71.7 | 68.7 | -154.6 | 0 | 0 | 113.9 | G318 F319 K425 | G318-E321 VanDerWaalsContact C-OE2 3.29Å; G318-E321 WeakPolarHBondContact CA-OE2 3.35Å; G318-E321 PolarHBondContact N-OE2 2.9Å; G318-E321 PolarHBondContact O-N 3.47Å; F319-E321 VanDerWaalsContact C-N 3.25Å; F319-E321 PolarHBondContact O-N 3.06Å; E321-K425 PolarHBondContact O-NZ 3.33Å |
| 322 | L | 89.8 | Confident | 92.2 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -76.4 | 162.2 | 165.4 | -58 | 179 | 0 | 0 | 0 | 110.6 | F319 D326 Q327 L330 K425 L426 L429 | F319-L322 HydrophobicContact CD2-CD1 4.27Å; F319-L322 WeakPolarHBondContact O-CB 3.4Å; F319-L322 PolarHBondContact O-N 2.64Å; L322-D326 HydrophobicContact CB-CB 4.12Å; L322-Q327 HydrophobicContact CB-CG 4.09Å; L322-Q327 PolarHBondContact O-NE2 2.58Å; L322-L330 HydrophobicContact CD1-CD1 3.53Å; L322-K425 HydrophobicContact CD2-CB 3.78Å; L322-L426 HydrophobicContact CD1-CD1 4.36Å; L322-L429 HydrophobicContact CD1-CD1 3.88Å; L322-L429 HydrophobicContact CD2-CD1 4.02Å; L322-L429 HydrophobicContact CG-CD1 4.01Å |
| 323 | S | 89.4 | Confident | 91.9 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | trans | -66.1 | 153.9 | 173.9 | 82.3 | 0 | 0 | 0 | 0 | 110.9 | F325 D326 Q327 | S323-F325 PolarHBondContact O-N 2.65Å; S323-F325 PolarHBondContact OG-N 3.01Å; S323-D326 VanDerWaalsContact CB-OD2 3.27Å; S323-D326 WeakPolarHBondContact CB-OD2 3.41Å; S323-D326 PolarHBondContact N-OD2 3.22Å; S323-D326 PolarHBondContact O-N 3.46Å; S323-D326 PolarHBondContact OG-N 3.49Å; S323-D326 VanDerWaalsContact OG-N 3.09Å; S323-D326 PolarHBondContact OG-OD2 3.34Å; S323-Q327 WeakPolarHBondContact O-CG 3.3Å; S323-Q327 PolarHBondContact O-N 3.39Å | ||
| 324 | L | 89.7 | Confident | 91.7 | Very high | 130 Ų | 130 | 43 Ų | 43 | 68% | 0.681 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.6 | -33.9 | 176.4 | -178.9 | 61.5 | 0 | 0 | 0 | 111.8 | Q327 V328 | L324-Q327 PolarHBondContact O-N 2.94Å; L324-V328 HydrophobicContact CD1-CG2 4.27Å; L324-V328 WeakPolarHBondContact O-CB 3.47Å; L324-V328 VanDerWaalsContact O-CG2 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 2.68Å |
| 325 | F | 87.6 | Confident | 91.7 | Very high | 123 Ų | 123 | 37.4 Ų | 37.4 | 54% | 0.539 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.4 | 177.1 | -109.2 | 0 | 0 | 0 | 112 | S323 R329 | S323-F325 PolarHBondContact O-N 2.65Å; S323-F325 PolarHBondContact OG-N 3.01Å; F325-R329 HydrophobicContact CE2-CG 4.36Å; F325-R329 HydrophobicContact CZ-CG 4.38Å; F325-R329 WeakPolarHBondContact O-CB 3.4Å; F325-R329 VanDerWaalsContact O-CG 3.31Å; F325-R329 WeakPolarHBondContact O-CG 3.32Å; F325-R329 PolarHBondContact O-N 2.94Å |
| 326 | D | 87.9 | Confident | 91.7 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 174.7 | -59.8 | -53.2 | 0 | 0 | 0 | 111 | L322 S323 V328 R329 L330 S422 | L322-D326 HydrophobicContact CB-CB 4.12Å; S323-D326 VanDerWaalsContact CB-OD2 3.27Å; S323-D326 WeakPolarHBondContact CB-OD2 3.41Å; S323-D326 PolarHBondContact N-OD2 3.22Å; S323-D326 PolarHBondContact O-N 3.46Å; S323-D326 PolarHBondContact OG-N 3.49Å; S323-D326 VanDerWaalsContact OG-N 3.09Å; S323-D326 PolarHBondContact OG-OD2 3.34Å; D326-V328 PolarHBondContact O-N 2.74Å; D326-R329 PolarHBondContact O-N 2.76Å; D326-L330 WeakPolarHBondContact O-CB 3.29Å; D326-L330 WeakPolarHBondContact O-CD1 3.14Å; D326-L330 WeakPolarHBondContact O-CG 3.31Å; D326-L330 PolarHBondContact O-N 2.77Å; D326-S422 VanDerWaalsContact OD2-CB 3.28Å; D326-S422 WeakPolarHBondContact OD2-CB 3.5Å; D326-S422 PolarHBondContact OD2-OG 3.26Å |
| 327 | Q | 93.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56 | -48.7 | 178.7 | -69.5 | 176.4 | 44.9 | 0 | 0 | 111.6 | F319 V320 L322 S323 L324 L331 | F319-Q327 HydrophobicContact CD1-CG 4.09Å; F319-Q327 HydrophobicContact CE1-CB 3.79Å; F319-Q327 HydrophobicContact CE1-CG 3.68Å; F319-Q327 HydrophobicContact CZ-CB 3.78Å; F319-Q327 HydrophobicContact CZ-CG 3.95Å; F319-Q327 WeakPolarHBondContact O-CG 3.31Å; F319-Q327 PolarHBondContact O-NE2 3.28Å; V320-Q327 PolarHBondContact O-NE2 3.23Å; L322-Q327 HydrophobicContact CB-CG 4.09Å; L322-Q327 PolarHBondContact O-NE2 2.58Å; S323-Q327 WeakPolarHBondContact O-CG 3.3Å; S323-Q327 PolarHBondContact O-N 3.39Å; L324-Q327 PolarHBondContact O-N 2.94Å; Q327-L331 WeakPolarHBondContact O-CD1 3.49Å; Q327-L331 VanDerWaalsContact O-CG 3.31Å; Q327-L331 WeakPolarHBondContact O-CG 3.3Å; Q327-L331 PolarHBondContact O-N 3.04Å |
| 328 | V | 91.3 | Very high | 92 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 38% | 0.382 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.4 | -49 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L324 D326 L330 L331 E332 | L324-V328 HydrophobicContact CD1-CG2 4.27Å; L324-V328 WeakPolarHBondContact O-CB 3.47Å; L324-V328 VanDerWaalsContact O-CG2 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 2.68Å; D326-V328 PolarHBondContact O-N 2.74Å; V328-L330 VanDerWaalsContact C-N 3.27Å; V328-L330 PolarHBondContact O-N 3.42Å; V328-L331 PolarHBondContact O-N 3.13Å; V328-E332 HydrophobicContact CG1-CG 4.01Å; V328-E332 WeakPolarHBondContact CG1-OE1 3.41Å; V328-E332 WeakPolarHBondContact O-CB 3.4Å; V328-E332 WeakPolarHBondContact O-CG 3.39Å; V328-E332 PolarHBondContact O-N 3.13Å |
| 329 | R | 88.4 | Confident | 92.3 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -34.2 | 179.9 | -87.6 | -174.5 | 146.1 | -139.2 | -2.5 | 114.2 | F325 D326 S333 M410 Y411 R501 | F325-R329 HydrophobicContact CE2-CG 4.36Å; F325-R329 HydrophobicContact CZ-CG 4.38Å; F325-R329 WeakPolarHBondContact O-CB 3.4Å; F325-R329 VanDerWaalsContact O-CG 3.31Å; F325-R329 WeakPolarHBondContact O-CG 3.32Å; F325-R329 PolarHBondContact O-N 2.94Å; D326-R329 PolarHBondContact O-N 2.76Å; R329-S333 VanDerWaalsContact O-CB 3.3Å; R329-S333 WeakPolarHBondContact O-CB 3.49Å; R329-S333 PolarHBondContact O-N 3.49Å; R329-S333 PolarHBondContact O-OG 3.24Å; R329-M410 HydrophobicContact CB-CE 3.98Å; R329-M410 HydrophobicContact CB-SD 4.12Å; R329-Y411 PolarHBondContact NH1-O 2.83Å; R329-R501 PolarHBondContact O-NH2 3.07Å; R329-R501 VanDerWaalsContact O-NH2 3.13Å |
| 330 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -55.6 | 175.6 | -71.3 | 165.5 | 0 | 0 | 0 | 109.8 | F319 L322 D326 V328 E332 S333 C334 L405 M410 L426 | F319-L330 HydrophobicContact CD2-CD1 4.43Å; F319-L330 HydrophobicContact CE2-CB 4.31Å; F319-L330 HydrophobicContact CE2-CD1 3.84Å; L322-L330 HydrophobicContact CD1-CD1 3.53Å; D326-L330 WeakPolarHBondContact O-CB 3.29Å; D326-L330 WeakPolarHBondContact O-CD1 3.14Å; D326-L330 WeakPolarHBondContact O-CG 3.31Å; D326-L330 PolarHBondContact O-N 2.77Å; V328-L330 VanDerWaalsContact C-N 3.27Å; V328-L330 PolarHBondContact O-N 3.42Å; L330-E332 PolarHBondContact O-N 3.24Å; L330-S333 PolarHBondContact O-N 3.38Å; L330-S333 PolarHBondContact O-OG 3.48Å; L330-C334 PolarHBondContact O-N 3.1Å; L330-C334 PolarHBondContact O-SG 2.67Å; L330-L405 HydrophobicContact CB-CD1 4.35Å; L330-L405 WeakPolarHBondContact CD2-O 3.49Å; L330-M410 HydrophobicContact CD2-CE 4Å; L330-M410 HydrophobicContact CG-CE 4.39Å; L330-L426 HydrophobicContact CD1-CD1 3.96Å; L330-L426 HydrophobicContact CD2-CD1 4.01Å; L330-L426 HydrophobicContact CD2-CD2 3.97Å |
| 331 | L | 94.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.3 | -51.7 | 176.9 | -69.2 | 165 | 0 | 0 | 0 | 111.6 | M309 I310 A313 F319 Q327 V328 S333 C334 W335 L405 M494 | M309-L331 HydrophobicContact CE-CD2 3.8Å; M309-L331 HydrophobicContact CG-CD2 4.3Å; I310-L331 HydrophobicContact CG1-CD1 4.25Å; A313-L331 HydrophobicContact CB-CD2 3.85Å; F319-L331 HydrophobicContact CZ-CD1 4.25Å; F319-L331 HydrophobicContact CZ-CG 4.14Å; Q327-L331 WeakPolarHBondContact O-CD1 3.49Å; Q327-L331 VanDerWaalsContact O-CG 3.31Å; Q327-L331 WeakPolarHBondContact O-CG 3.3Å; Q327-L331 PolarHBondContact O-N 3.04Å; V328-L331 PolarHBondContact O-N 3.13Å; L331-S333 PolarHBondContact O-N 3.29Å; L331-C334 PolarHBondContact O-N 3.39Å; L331-W335 WeakPolarHBondContact O-CB 3.34Å; L331-W335 PolarHBondContact O-N 2.9Å; L331-L405 HydrophobicContact CD2-CD1 3.97Å; L331-L405 HydrophobicContact CG-CD1 4.44Å; L331-M494 VanDerWaalsContact C-CE 3.47Å; L331-M494 HydrophobicContact CB-CE 4.11Å; L331-M494 WeakPolarHBondContact O-CE 3.36Å |
| 332 | E | 91.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 22% | 0.224 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -49.8 | -29.5 | 176 | -82 | -178.9 | -175.5 | 0 | 0 | 113.5 | V328 L330 M494 A497 H498 R501 | V328-E332 HydrophobicContact CG1-CG 4.01Å; V328-E332 WeakPolarHBondContact CG1-OE1 3.41Å; V328-E332 WeakPolarHBondContact O-CB 3.4Å; V328-E332 WeakPolarHBondContact O-CG 3.39Å; V328-E332 PolarHBondContact O-N 3.13Å; L330-E332 PolarHBondContact O-N 3.24Å; E332-M494 HydrophobicContact CG-SD 4.4Å; E332-A497 HydrophobicContact CB-CB 4.05Å; E332-A497 HydrophobicContact CG-CB 3.68Å; E332-H498 PolarHBondContact O-CD2 2.89Å; E332-H498 PolarHBondContact O-NE2 2.68Å; E332-R501 IonicContact OE2-CZ 2.94Å; E332-R501 IonicContact OE2-NE 2.74Å; E332-R501 IonicContact OE2-NH2 3.72Å; E332-R501 PolarHBondContact OE2-NH2 3.47Å |
| 333 | S | 90.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -102.6 | -10.4 | -167.6 | 70.7 | 0 | 0 | 0 | 0 | 116 | R329 L330 L331 S408 | R329-S333 VanDerWaalsContact O-CB 3.3Å; R329-S333 WeakPolarHBondContact O-CB 3.49Å; R329-S333 PolarHBondContact O-N 3.49Å; R329-S333 PolarHBondContact O-OG 3.24Å; L330-S333 PolarHBondContact O-N 3.38Å; L330-S333 PolarHBondContact O-OG 3.48Å; L331-S333 PolarHBondContact O-N 3.29Å; S333-S408 WeakPolarHBondContact CB-OG 3.49Å; S333-S408 WeakPolarHBondContact OG-CB 3.46Å; S333-S408 PolarHBondContact OG-OG 3.46Å |
| 334 | C | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -133.3 | -3.1 | -172.5 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | L330 L331 M336 E337 V338 I404 | L330-C334 PolarHBondContact O-N 3.1Å; L330-C334 PolarHBondContact O-SG 2.67Å; L331-C334 PolarHBondContact O-N 3.39Å; C334-M336 VanDerWaalsContact C-N 3.33Å; C334-M336 PolarHBondContact O-N 2.85Å; C334-E337 WeakPolarHBondContact CA-OE1 3.27Å; C334-E337 WeakPolarHBondContact O-CA 3.32Å; C334-E337 WeakPolarHBondContact O-CB 3.45Å; C334-E337 PolarHBondContact O-N 2.89Å; C334-V338 PolarHBondContact O-N 2.99Å; C334-I404 HydrophobicContact CB-CG2 4.11Å |
| 335 | W | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.7 | -45.6 | -170.6 | 67.2 | -90.8 | 0 | 0 | 0 | 113.5 | L306 M309 L331 E337 V338 L339 M473 L476 L491 M494 L495 H498 | L306-W335 HydrophobicContact CD1-CE3 4.41Å; L306-W335 HydrophobicContact CD2-CB 3.64Å; L306-W335 HydrophobicContact CD2-CD2 4.09Å; L306-W335 HydrophobicContact CD2-CE3 3.95Å; L306-W335 HydrophobicContact CD2-CG 4.02Å; L306-W335 HydrophobicContact CG-CE3 4.43Å; M309-W335 HydrophobicContact CE-CB 4.21Å; M309-W335 HydrophobicContact SD-CB 3.95Å; L331-W335 WeakPolarHBondContact O-CB 3.34Å; L331-W335 PolarHBondContact O-N 2.9Å; W335-E337 VanDerWaalsContact C-N 3.28Å; W335-E337 PolarHBondContact O-N 3.04Å; W335-V338 PolarHBondContact O-N 3.43Å; W335-V338 VanDerWaalsContact O-N 3.15Å; W335-L339 HydrophobicContact CE3-CD1 3.87Å; W335-L339 HydrophobicContact CE3-CG 4.48Å; W335-L339 HydrophobicContact CZ3-CD1 4.05Å; W335-L339 WeakPolarHBondContact O-CG 3.19Å; W335-L339 PolarHBondContact O-N 3.4Å; W335-M473 HydrophobicContact CH2-CE 4.48Å; W335-M473 HydrophobicContact CH2-SD 4.36Å; W335-M473 HydrophobicContact CZ2-CE 3.66Å; W335-M473 HydrophobicContact CZ2-SD 3.56Å; W335-M473 VanDerWaalsContact CZ2-SD 3.56Å; W335-L476 HydrophobicContact CH2-CD1 3.98Å; W335-L491 HydrophobicContact CE3-CD1 4.49Å; W335-L491 HydrophobicContact CH2-CD1 3.51Å; W335-L491 HydrophobicContact CZ2-CD1 4.3Å; W335-L491 HydrophobicContact CZ3-CD1 3.62Å; W335-M494 HydrophobicContact CB-CE 3.66Å; W335-M494 HydrophobicContact CD2-CB 4.37Å; W335-M494 HydrophobicContact CG-CB 4.38Å; W335-M494 HydrophobicContact CG-CE 3.76Å; W335-M494 PolarHBondContact NE1-O 2.67Å; W335-L495 HydrophobicContact CZ2-CB 4.49Å; W335-L495 HydrophobicContact CZ2-CD1 4.47Å; W335-H498 AromaticContact NE1-CD2 3.92Å |
| 336 | M | 95.8 | Very high | 94.7 | Very high | 24 Ų | 24 | 19 Ų | 19 | 12% | 0.118 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -29.6 | 179.4 | -163.4 | 63.1 | 166.7 | 0 | 0 | 112.4 | C334 M340 M473 L476 | C334-M336 VanDerWaalsContact C-N 3.33Å; C334-M336 PolarHBondContact O-N 2.85Å; M336-M340 HydrophobicContact CE-CE 3.78Å; M336-M340 HydrophobicContact CG-CE 4.31Å; M336-M340 VanDerWaalsContact O-CB 3.27Å; M336-M340 WeakPolarHBondContact O-CB 3.48Å; M336-M340 VanDerWaalsContact O-CG 3.25Å; M336-M340 WeakPolarHBondContact O-CG 3.47Å; M336-M340 PolarHBondContact O-N 3.01Å; M336-M473 HydrophobicContact CB-CE 3.77Å; M336-M473 HydrophobicContact CG-CE 4.47Å; M336-L476 HydrophobicContact CE-CD1 3.64Å; M336-L476 HydrophobicContact CE-CG 4.48Å; M336-L476 HydrophobicContact SD-CD1 4.23Å |
| 337 | E | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.8 | -41.1 | 172.2 | -64.6 | 167.1 | -86.9 | 0 | 0 | 111.8 | C334 W335 M340 V341 I404 V465 R466 S469 | C334-E337 WeakPolarHBondContact CA-OE1 3.27Å; C334-E337 WeakPolarHBondContact O-CA 3.32Å; C334-E337 WeakPolarHBondContact O-CB 3.45Å; C334-E337 PolarHBondContact O-N 2.89Å; W335-E337 VanDerWaalsContact C-N 3.28Å; W335-E337 PolarHBondContact O-N 3.04Å; E337-M340 PolarHBondContact O-N 3.01Å; E337-V341 WeakPolarHBondContact O-CB 3.29Å; E337-V341 WeakPolarHBondContact O-CG1 3.36Å; E337-V341 PolarHBondContact O-N 3.02Å; E337-I404 HydrophobicContact CB-CG2 3.41Å; E337-I404 VanDerWaalsContact CB-CG2 3.41Å; E337-I404 HydrophobicContact CG-CG2 4.37Å; E337-V465 HydrophobicContact CB-CG1 3.72Å; E337-V465 HydrophobicContact CG-CG1 4.07Å; E337-R466 IonicContact OE1-CZ 3.56Å; E337-R466 IonicContact OE1-NE 3.63Å; E337-R466 PolarHBondContact OE1-NE 3.29Å; E337-R466 IonicContact OE1-NH1 3.26Å; E337-R466 IonicContact OE1-NH2 2.73Å; E337-R466 PolarHBondContact OE1-NH2 3.42Å; E337-R466 IonicContact OE2-CZ 2.74Å; E337-R466 IonicContact OE2-NE 3.88Å; E337-R466 PolarHBondContact OE2-NE 3.26Å; E337-R466 IonicContact OE2-NH2 2.76Å; E337-R466 PolarHBondContact OE2-NH2 2.73Å; E337-S469 WeakPolarHBondContact CG-OG 3.49Å |
| 338 | V | 97.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.3 | -37.4 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | M309 W312 C334 W335 G342 K401 I404 | M309-V338 HydrophobicContact CE-CB 3.7Å; M309-V338 HydrophobicContact CE-CG1 4.05Å; M309-V338 HydrophobicContact CE-CG2 3.57Å; M309-V338 HydrophobicContact CG-CG1 4.1Å; M309-V338 HydrophobicContact SD-CB 3.69Å; M309-V338 HydrophobicContact SD-CG1 3.77Å; M309-V338 HydrophobicContact SD-CG2 4.27Å; W312-V338 HydrophobicContact CE3-CG1 4.44Å; W312-V338 HydrophobicContact CH2-CG1 4.21Å; W312-V338 HydrophobicContact CZ3-CG1 3.91Å; W312-V338 HydrophobicContact CZ3-CG2 4.37Å; C334-V338 PolarHBondContact O-N 2.99Å; W335-V338 PolarHBondContact O-N 3.43Å; W335-V338 VanDerWaalsContact O-N 3.15Å; V338-G342 PolarHBondContact O-N 2.9Å; V338-G342 VanDerWaalsContact O-N 3.15Å; V338-K401 HydrophobicContact CG1-CG 4.43Å; V338-I404 HydrophobicContact CG2-CB 4.39Å; V338-I404 HydrophobicContact CG2-CG2 3.6Å |
| 339 | L | 97.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 20.9 Ų | 20.9 | 9% | 0.094 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 171.1 | -63.7 | -168.1 | 0 | 0 | 0 | 111.3 | A302 E305 W335 G342 L343 | A302-L339 HydrophobicContact CB-CD1 3.89Å; E305-L339 HydrophobicContact CB-CD2 3.39Å; E305-L339 HydrophobicContact CG-CD2 4.42Å; W335-L339 HydrophobicContact CE3-CD1 3.87Å; W335-L339 HydrophobicContact CE3-CG 4.48Å; W335-L339 HydrophobicContact CZ3-CD1 4.05Å; W335-L339 WeakPolarHBondContact O-CG 3.19Å; W335-L339 PolarHBondContact O-N 3.4Å; L339-G342 PolarHBondContact O-N 2.9Å; L339-L343 PolarHBondContact O-N 3.44Å |
| 340 | M | 97.5 | Very high | 96 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | -179.9 | -76.4 | -164.3 | 178.8 | 0 | 0 | 113.4 | M336 E337 G342 L343 M344 I376 L380 A468 S469 | M336-M340 HydrophobicContact CE-CE 3.78Å; M336-M340 HydrophobicContact CG-CE 4.31Å; M336-M340 VanDerWaalsContact O-CB 3.27Å; M336-M340 WeakPolarHBondContact O-CB 3.48Å; M336-M340 VanDerWaalsContact O-CG 3.25Å; M336-M340 WeakPolarHBondContact O-CG 3.47Å; M336-M340 PolarHBondContact O-N 3.01Å; E337-M340 PolarHBondContact O-N 3.01Å; M340-G342 VanDerWaalsContact C-N 3.28Å; M340-G342 PolarHBondContact O-N 3.04Å; M340-L343 WeakPolarHBondContact O-CB 3.49Å; M340-L343 PolarHBondContact O-N 3.17Å; M340-M344 HydrophobicContact CB-CE 4.23Å; M340-M344 WeakPolarHBondContact O-CE 3.47Å; M340-M344 VanDerWaalsContact O-CG 3.31Å; M340-M344 WeakPolarHBondContact O-CG 3.43Å; M340-M344 PolarHBondContact O-N 3.29Å; M340-I376 HydrophobicContact CE-CG2 3.85Å; M340-L380 HydrophobicContact CB-CD2 4.1Å; M340-L380 HydrophobicContact CG-CD2 4.02Å; M340-L380 HydrophobicContact SD-CD2 3.84Å; M340-A468 VanDerWaalsContact CE-O 3.22Å; M340-A468 WeakPolarHBondContact CE-O 3.43Å; M340-A468 HydrophobicContact SD-CB 3.65Å; M340-S469 VanDerWaalsContact SD-CA 3.58Å; M340-S469 PolarHBondContact SD-N 3.31Å; M340-S469 VanDerWaalsContact SD-N 3.42Å |
| 341 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -33.4 | 176.4 | 83.1 | 0 | 0 | 0 | 0 | 111.2 | E337 W345 F387 Y397 K401 I404 V465 | E337-V341 WeakPolarHBondContact O-CB 3.29Å; E337-V341 WeakPolarHBondContact O-CG1 3.36Å; E337-V341 PolarHBondContact O-N 3.02Å; V341-W345 WeakPolarHBondContact O-CB 3.4Å; V341-W345 PolarHBondContact O-N 2.96Å; V341-F387 HydrophobicContact CG2-CE2 4.14Å; V341-F387 HydrophobicContact CG2-CZ 3.99Å; V341-Y397 HydrophobicContact CG1-CE2 4.27Å; V341-Y397 HydrophobicContact CG2-CD2 4.39Å; V341-Y397 HydrophobicContact CG2-CE2 4.2Å; V341-K401 HydrophobicContact CG1-CB 4.34Å; V341-K401 HydrophobicContact CG1-CG 3.95Å; V341-I404 HydrophobicContact CB-CD1 3.94Å; V341-I404 HydrophobicContact CG1-CD1 3.89Å; V341-I404 HydrophobicContact CG2-CD1 4.03Å; V341-V465 HydrophobicContact CB-CG1 4.32Å; V341-V465 HydrophobicContact CG2-CG2 4.24Å |
| 342 | G | 97.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V338 L339 M340 M344 W345 R346 | V338-G342 PolarHBondContact O-N 2.9Å; V338-G342 VanDerWaalsContact O-N 3.15Å; L339-G342 PolarHBondContact O-N 2.9Å; M340-G342 VanDerWaalsContact C-N 3.28Å; M340-G342 PolarHBondContact O-N 3.04Å; G342-M344 PolarHBondContact O-N 3.29Å; G342-W345 PolarHBondContact O-N 2.81Å; G342-R346 WeakPolarHBondContact O-CG 3.36Å; G342-R346 PolarHBondContact O-N 2.98Å |
| 343 | L | 97.8 | Very high | 96.3 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 174.7 | 174.4 | 58.4 | 0 | 0 | 0 | 112.4 | L339 M340 W345 R346 S347 L354 I355 F356 L380 | L339-L343 PolarHBondContact O-N 3.44Å; M340-L343 WeakPolarHBondContact O-CB 3.49Å; M340-L343 PolarHBondContact O-N 3.17Å; L343-W345 PolarHBondContact O-N 2.77Å; L343-R346 PolarHBondContact O-N 3.27Å; L343-S347 WeakPolarHBondContact O-CB 3.41Å; L343-S347 PolarHBondContact O-N 2.92Å; L343-S347 PolarHBondContact O-OG 3.36Å; L343-L354 HydrophobicContact CD1-CB 4.23Å; L343-I355 VanDerWaalsContact CD1-C 3.48Å; L343-I355 WeakPolarHBondContact CD1-O 3.07Å; L343-F356 HydrophobicContact CD1-CB 4.43Å; L343-F356 HydrophobicContact CD1-CD1 4.04Å; L343-F356 HydrophobicContact CD1-CD2 4.19Å; L343-F356 HydrophobicContact CD1-CE1 4.35Å; L343-F356 HydrophobicContact CD1-CE2 4.48Å; L343-F356 HydrophobicContact CD1-CG 3.96Å; L343-F356 HydrophobicContact CD2-CD1 3.92Å; L343-F356 HydrophobicContact CD2-CE1 3.48Å; L343-F356 VanDerWaalsContact CD2-CE1 3.48Å; L343-F356 HydrophobicContact CD2-CE2 4.39Å; L343-F356 HydrophobicContact CD2-CZ 3.75Å; L343-L380 HydrophobicContact CD2-CD1 3.86Å; L343-L380 HydrophobicContact CD2-CD2 4.46Å |
| 344 | M | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -36.9 | 179.9 | -67.8 | -174.7 | -77.1 | 0 | 0 | 112 | M340 G342 S347 I348 L380 T383 T384 F387 V465 | M340-M344 HydrophobicContact CB-CE 4.23Å; M340-M344 WeakPolarHBondContact O-CE 3.47Å; M340-M344 VanDerWaalsContact O-CG 3.31Å; M340-M344 WeakPolarHBondContact O-CG 3.43Å; M340-M344 PolarHBondContact O-N 3.29Å; G342-M344 PolarHBondContact O-N 3.29Å; M344-S347 PolarHBondContact O-N 3.01Å; M344-I348 PolarHBondContact O-N 2.74Å; M344-L380 HydrophobicContact CE-CD2 4.18Å; M344-L380 HydrophobicContact CG-CD2 3.74Å; M344-L380 HydrophobicContact SD-CD2 3.76Å; M344-T383 HydrophobicContact CE-CG2 4.04Å; M344-T383 WeakPolarHBondContact SD-CB 3.38Å; M344-T383 HydrophobicContact SD-CG2 3.47Å; M344-T383 WeakPolarHBondContact SD-CG2 3.36Å; M344-T384 WeakPolarHBondContact CB-OG1 3.46Å; M344-T384 WeakPolarHBondContact CG-OG1 3.34Å; M344-F387 HydrophobicContact CB-CD2 4.21Å; M344-F387 HydrophobicContact CB-CE2 3.71Å; M344-F387 HydrophobicContact CB-CZ 4.23Å; M344-F387 HydrophobicContact CE-CZ 4.26Å; M344-F387 HydrophobicContact SD-CZ 4.49Å; M344-V465 HydrophobicContact CE-CB 4.48Å; M344-V465 HydrophobicContact CE-CG1 4.43Å; M344-V465 HydrophobicContact CE-CG2 3.8Å |
| 345 | W | 97.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 32.1 Ų | 32.1 | 20% | 0.201 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 172.1 | -179.2 | -99.9 | 0 | 0 | 0 | 112.3 | V341 G342 L343 S347 I348 L392 H394 Y397 | V341-W345 WeakPolarHBondContact O-CB 3.4Å; V341-W345 PolarHBondContact O-N 2.96Å; G342-W345 PolarHBondContact O-N 2.81Å; L343-W345 PolarHBondContact O-N 2.77Å; W345-S347 PolarHBondContact O-N 3.15Å; W345-I348 HydrophobicContact CE3-CD1 4.33Å; W345-I348 HydrophobicContact CZ3-CD1 3.99Å; W345-I348 VanDerWaalsContact O-CG2 3.31Å; W345-I348 WeakPolarHBondContact O-CG2 3.46Å; W345-I348 PolarHBondContact O-N 3.13Å; W345-L392 HydrophobicContact CE3-CD2 3.98Å; W345-L392 HydrophobicContact CE3-CG 4.39Å; W345-L392 HydrophobicContact CZ3-CB 4.24Å; W345-L392 HydrophobicContact CZ3-CD2 3.98Å; W345-L392 HydrophobicContact CZ3-CG 3.9Å; W345-L392 WeakPolarHBondContact CZ3-O 3.3Å; W345-H394 AromaticContact CE2-ND1 3.37Å; W345-H394 HydrophobicContact CH2-CB 3.94Å; W345-H394 HydrophobicContact CZ2-CB 3.66Å; W345-H394 AromaticContact CZ2-CG 3.81Å; W345-H394 AromaticContact CZ2-ND1 3.23Å; W345-H394 WeakPolarHBondContact CZ2-ND1 3.31Å; W345-H394 AromaticContact NE1-CE1 3.86Å; W345-H394 AromaticContact NE1-ND1 3.39Å; W345-H394 PolarHBondContact NE1-ND1 3.4Å; W345-Y397 HydrophobicContact CB-CD2 3.73Å; W345-Y397 HydrophobicContact CB-CE1 4.27Å; W345-Y397 HydrophobicContact CB-CE2 3.37Å; W345-Y397 HydrophobicContact CB-CG 4.32Å; W345-Y397 AromaticContact CD1-CE1 3.68Å; W345-Y397 AromaticContact CD1-CZ 3.84Å; W345-Y397 AromaticContact CD2-CD1 3.7Å; W345-Y397 HydrophobicContact CD2-CD1 3.7Å; W345-Y397 AromaticContact CD2-CD2 3.87Å; W345-Y397 HydrophobicContact CD2-CD2 3.87Å; W345-Y397 HydrophobicContact CD2-CE1 4.1Å; W345-Y397 HydrophobicContact CD2-CE2 4.26Å; W345-Y397 AromaticContact CD2-CG 3.56Å; W345-Y397 HydrophobicContact CD2-CG 3.56Å; W345-Y397 AromaticContact CE2-CD1 3.95Å; W345-Y397 HydrophobicContact CE3-CD1 4.16Å; W345-Y397 AromaticContact CE3-CD2 3.88Å; W345-Y397 HydrophobicContact CE3-CD2 3.88Å; W345-Y397 AromaticContact CE3-CG 3.58Å; W345-Y397 HydrophobicContact CE3-CG 3.58Å; W345-Y397 AromaticContact CG-CD1 3.83Å; W345-Y397 HydrophobicContact CG-CD1 3.83Å; W345-Y397 AromaticContact CG-CD2 3.79Å; W345-Y397 HydrophobicContact CG-CD2 3.79Å; W345-Y397 AromaticContact CG-CE1 3.72Å; W345-Y397 HydrophobicContact CG-CE1 3.72Å; W345-Y397 AromaticContact CG-CE2 3.68Å; W345-Y397 HydrophobicContact CG-CE2 3.68Å; W345-Y397 AromaticContact CG-CG 3.86Å; W345-Y397 HydrophobicContact CG-CG 3.86Å; W345-Y397 AromaticContact CG-CZ 3.62Å; W345-Y397 HydrophobicContact CZ3-CG 4.27Å |
| 346 | R | 96.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 21% | 0.208 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -25.3 | 173.8 | -70 | -171 | -64.7 | -106.1 | 19.9 | 113.2 | E305 G342 L343 I355 F356 | E305-R346 IonicContact OE1-CZ 2.66Å; E305-R346 VanDerWaalsContact OE1-CZ 3.28Å; E305-R346 IonicContact OE1-NH1 3.28Å; E305-R346 PolarHBondContact OE1-NH1 2.95Å; E305-R346 IonicContact OE1-NH2 3.44Å; E305-R346 PolarHBondContact OE1-NH2 3.31Å; E305-R346 IonicContact OE2-CZ 2.76Å; E305-R346 IonicContact OE2-NH2 2.68Å; E305-R346 PolarHBondContact OE2-NH2 3.43Å; G342-R346 WeakPolarHBondContact O-CG 3.36Å; G342-R346 PolarHBondContact O-N 2.98Å; L343-R346 PolarHBondContact O-N 3.27Å; R346-I355 HydrophobicContact CB-CB 4.08Å; R346-I355 HydrophobicContact CB-CG2 4.37Å; R346-I355 PolarHBondContact NE-O 2.81Å; R346-I355 WeakPolarHBondContact O-CG1 3.34Å; R346-F356 PolarHBondContact NE-O 3.15Å; R346-F356 PolarHBondContact NH2-O 3.25Å |
| 347 | S | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 2.6 | -175.1 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | L343 M344 W345 D349 H350 I355 T384 | L343-S347 WeakPolarHBondContact O-CB 3.41Å; L343-S347 PolarHBondContact O-N 2.92Å; L343-S347 PolarHBondContact O-OG 3.36Å; M344-S347 PolarHBondContact O-N 3.01Å; W345-S347 PolarHBondContact O-N 3.15Å; S347-D349 VanDerWaalsContact C-N 3.35Å; S347-D349 PolarHBondContact O-N 3.26Å; S347-H350 PolarHBondContact O-N 3.19Å; S347-I355 PolarHBondContact OG-N 3.18Å; S347-T384 WeakPolarHBondContact O-CG2 3.3Å |
| 348 | I | 96.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -43.6 | -169.7 | -164 | 171.5 | 0 | 0 | 0 | 112.5 | M344 W345 H350 F387 R388 L392 | M344-I348 PolarHBondContact O-N 2.74Å; W345-I348 HydrophobicContact CE3-CD1 4.33Å; W345-I348 HydrophobicContact CZ3-CD1 3.99Å; W345-I348 VanDerWaalsContact O-CG2 3.31Å; W345-I348 WeakPolarHBondContact O-CG2 3.46Å; W345-I348 PolarHBondContact O-N 3.13Å; I348-H350 VanDerWaalsContact C-N 3.31Å; I348-H350 PolarHBondContact O-N 3.36Å; I348-F387 HydrophobicContact CD1-CB 3.86Å; I348-F387 HydrophobicContact CG1-CB 4.19Å; I348-R388 HydrophobicContact CG1-CG 3.79Å; I348-R388 WeakPolarHBondContact O-CD 3.29Å; I348-R388 WeakPolarHBondContact O-CG 3.46Å; I348-R388 PolarHBondContact O-NH1 2.94Å; I348-L392 HydrophobicContact CD1-CB 4.46Å |
| 349 | D | 95.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 37.4 Ų | 37.4 | 71% | 0.706 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.8 | -179.6 | -60.3 | -53.4 | 0 | 0 | 0 | 114.1 | S347 P351 | S347-D349 VanDerWaalsContact C-N 3.35Å; S347-D349 PolarHBondContact O-N 3.26Å; D349-P351 VanDerWaalsContact O-CD 3.23Å; D349-P351 WeakPolarHBondContact O-CD 3.44Å |
| 350 | H | 96.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 36.6 Ų | 36.6 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | trans | -117.6 | 75 | -174.7 | -63.6 | -67.5 | 0 | 0 | 0 | 111.9 | S347 I348 G352 K353 I355 | S347-H350 PolarHBondContact O-N 3.19Å; I348-H350 VanDerWaalsContact C-N 3.31Å; I348-H350 PolarHBondContact O-N 3.36Å; H350-G352 PolarHBondContact O-N 2.88Å; H350-K353 PolarHBondContact O-N 3.32Å; H350-K353 VanDerWaalsContact O-O 3.09Å; H350-I355 HydrophobicContact CB-CD1 4.09Å; H350-I355 HydrophobicContact CB-CG1 4.23Å | ||
| 351 | P | 94.9 | Very high | 96.1 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 62% | 0.617 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.9 | -179.6 | 25.8 | -34.5 | 0 | 0 | 0 | 111.9 | D349 K353 | D349-P351 VanDerWaalsContact O-CD 3.23Å; D349-P351 WeakPolarHBondContact O-CD 3.44Å; P351-K353 VanDerWaalsContact C-N 3.29Å; P351-K353 PolarHBondContact O-N 3.33Å |
| 352 | G | 94.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H350 | H350-G352 PolarHBondContact O-N 2.88Š|
| 353 | K | 96.4 | Very high | 95.8 | Very high | 86 Ų | 86 | 39.6 Ų | 39.6 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.4 | 179.7 | -53.9 | -152.9 | 174.3 | -136.9 | 0 | 111.7 | H350 P351 V361 L362 D363 | H350-K353 PolarHBondContact O-N 3.32Å; H350-K353 VanDerWaalsContact O-O 3.09Å; P351-K353 VanDerWaalsContact C-N 3.29Å; P351-K353 PolarHBondContact O-N 3.33Å; K353-V361 HydrophobicContact CB-CG1 4.24Å; K353-V361 HydrophobicContact CD-CG1 4.12Å; K353-L362 WeakPolarHBondContact CA-O 2.98Å; K353-D363 HydrophobicContact CD-CB 4.06Å; K353-D363 HydrophobicContact CG-CB 3.94Å; K353-D363 IonicContact NZ-OD2 3.72Å; K353-D363 PolarHBondContact NZ-OD2 3Å |
| 354 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.8 | 177.1 | -67.6 | -179.8 | 0 | 0 | 0 | 110.2 | L343 F356 L362 F377 L380 L381 | L343-L354 HydrophobicContact CD1-CB 4.23Å; L354-F356 HydrophobicContact CB-CD2 4Å; L354-F356 HydrophobicContact CB-CE2 3.59Å; L354-F356 HydrophobicContact CB-CZ 4.42Å; L354-F356 HydrophobicContact CD1-CE2 4.13Å; L354-F356 HydrophobicContact CD1-CZ 4.27Å; L354-F356 PolarHBondContact O-N 3.15Å; L354-L362 PolarHBondContact N-O 3.33Å; L354-L362 PolarHBondContact O-N 3.21Å; L354-F377 HydrophobicContact CB-CE2 4.45Å; L354-F377 HydrophobicContact CB-CZ 4.05Å; L354-F377 HydrophobicContact CD1-CD1 3.88Å; L354-F377 HydrophobicContact CD1-CD2 3.88Å; L354-F377 HydrophobicContact CD1-CE1 3.78Å; L354-F377 HydrophobicContact CD1-CE2 3.79Å; L354-F377 HydrophobicContact CD1-CG 3.92Å; L354-F377 HydrophobicContact CD1-CZ 3.73Å; L354-F377 HydrophobicContact CG-CD1 4.41Å; L354-F377 HydrophobicContact CG-CE1 3.87Å; L354-F377 HydrophobicContact CG-CE2 4.33Å; L354-F377 HydrophobicContact CG-CZ 3.82Å; L354-L380 HydrophobicContact CD1-CB 3.87Å; L354-L380 HydrophobicContact CD1-CD1 3.91Å; L354-L380 HydrophobicContact CD2-CB 4.14Å; L354-L381 HydrophobicContact CD2-CD2 3.96Å; L354-L381 HydrophobicContact CG-CD2 4.13Å |
| 355 | I | 96.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 49 Ų | 49 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 77.2 | -176.2 | -45.8 | -59.4 | 0 | 0 | 0 | 109 | L343 R346 S347 H350 V361 | L343-I355 VanDerWaalsContact CD1-C 3.48Å; L343-I355 WeakPolarHBondContact CD1-O 3.07Å; R346-I355 HydrophobicContact CB-CB 4.08Å; R346-I355 HydrophobicContact CB-CG2 4.37Å; R346-I355 PolarHBondContact NE-O 2.81Å; R346-I355 WeakPolarHBondContact O-CG1 3.34Å; S347-I355 PolarHBondContact OG-N 3.18Å; H350-I355 HydrophobicContact CB-CD1 4.09Å; H350-I355 HydrophobicContact CB-CG1 4.23Å; I355-V361 HydrophobicContact CD1-CB 4.28Å; I355-V361 HydrophobicContact CD1-CG1 3.84Å; I355-V361 HydrophobicContact CD1-CG2 3.62Å; I355-V361 HydrophobicContact CG2-CG2 4.5Å |
| 356 | F | 95.9 | Very high | 95 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -60.7 | -50.2 | 177.5 | -74.7 | -90.8 | 0 | 0 | 0 | 110.6 | L298 L301 L343 R346 L354 L360 L362 F377 | L298-F356 HydrophobicContact CD2-CD1 3.46Å; L298-F356 VanDerWaalsContact CD2-CD1 3.46Å; L298-F356 HydrophobicContact CD2-CD2 4.49Å; L298-F356 HydrophobicContact CD2-CE1 3.59Å; L298-F356 HydrophobicContact CD2-CG 3.94Å; L298-F356 HydrophobicContact CD2-CZ 4.18Å; L301-F356 HydrophobicContact CD2-CB 3.72Å; L301-F356 HydrophobicContact CD2-CD1 4.41Å; L301-F356 WeakPolarHBondContact CD2-O 3.22Å; L343-F356 HydrophobicContact CD1-CB 4.43Å; L343-F356 HydrophobicContact CD1-CD1 4.04Å; L343-F356 HydrophobicContact CD1-CD2 4.19Å; L343-F356 HydrophobicContact CD1-CE1 4.35Å; L343-F356 HydrophobicContact CD1-CE2 4.48Å; L343-F356 HydrophobicContact CD1-CG 3.96Å; L343-F356 HydrophobicContact CD2-CD1 3.92Å; L343-F356 HydrophobicContact CD2-CE1 3.48Å; L343-F356 VanDerWaalsContact CD2-CE1 3.48Å; L343-F356 HydrophobicContact CD2-CE2 4.39Å; L343-F356 HydrophobicContact CD2-CZ 3.75Å; R346-F356 PolarHBondContact NE-O 3.15Å; R346-F356 PolarHBondContact NH2-O 3.25Å; L354-F356 HydrophobicContact CB-CD2 4Å; L354-F356 HydrophobicContact CB-CE2 3.59Å; L354-F356 HydrophobicContact CB-CZ 4.42Å; L354-F356 HydrophobicContact CD1-CE2 4.13Å; L354-F356 HydrophobicContact CD1-CZ 4.27Å; L354-F356 PolarHBondContact O-N 3.15Å; F356-L360 HydrophobicContact CB-CB 4.34Å; F356-L360 HydrophobicContact CB-CD2 3.97Å; F356-L360 HydrophobicContact CB-CG 4.05Å; F356-L360 WeakPolarHBondContact CB-O 3.43Å; F356-L360 PolarHBondContact N-O 3Å; F356-L362 HydrophobicContact CD2-CB 4.15Å; F356-L362 HydrophobicContact CD2-CD1 3.85Å; F356-L362 HydrophobicContact CD2-CG 4.06Å; F356-L362 HydrophobicContact CE2-CB 4.14Å; F356-L362 HydrophobicContact CE2-CD1 3.8Å; F356-L362 HydrophobicContact CE2-CG 4.3Å; F356-F377 HydrophobicContact CE2-CE2 4.46Å |
| 357 | A | 94.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -139.2 | 165.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V280 L301 D359 L360 | V280-A357 WeakPolarHBondContact O-CB 3.35Å; L301-A357 HydrophobicContact CD1-CB 4.24Å; L301-A357 HydrophobicContact CD2-CB 4.43Å; A357-D359 WeakPolarHBondContact CB-OD1 3.44Å; A357-D359 PolarHBondContact O-N 3.09Å; A357-D359 VanDerWaalsContact O-N 3.15Å; A357-L360 HydrophobicContact CB-CB 3.92Å; A357-L360 PolarHBondContact N-O 3.21Å; A357-L360 CarbonylContact O-C 3.54Å; A357-L360 VanDerWaalsContact O-C 3.23Å; A357-L360 PolarHBondContact O-N 2.93Å; A357-L360 VanDerWaalsContact O-O 3.11Å |
| 358 | P | 92.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -57 | -27.1 | 174.7 | -23.4 | 33.8 | 0 | 0 | 0 | 113.7 | H279 V280 L281 | H279-P358 HydrophobicContact CB-CG 3.96Å; V280-P358 VanDerWaalsContact O-CD 3.24Å; V280-P358 WeakPolarHBondContact O-CD 3.39Å; L281-P358 HydrophobicContact CD2-CB 3.93Å; L281-P358 HydrophobicContact CD2-CG 4.03Å |
| 359 | D | 92.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -97.2 | -19.8 | 173.6 | 59.1 | -27.3 | 0 | 0 | 0 | 113.9 | L281 I282 S283 R284 A357 | L281-D359 HydrophobicContact CD2-CB 4.24Å; I282-D359 PolarHBondContact N-OD1 3.22Å; I282-D359 PolarHBondContact N-OD2 3.34Å; S283-D359 WeakPolarHBondContact CA-OD2 3.34Å; S283-D359 PolarHBondContact N-OD2 2.95Å; R284-D359 WeakPolarHBondContact CB-O 3.4Å; R284-D359 WeakPolarHBondContact CD-O 3.16Å; A357-D359 WeakPolarHBondContact CB-OD1 3.44Å; A357-D359 PolarHBondContact O-N 3.09Å; A357-D359 VanDerWaalsContact O-N 3.15Å |
| 360 | L | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -110.3 | 83 | 177.1 | -172.1 | 63.6 | 0 | 0 | 0 | 111 | I282 R284 F289 L298 L301 F356 A357 L362 | I282-L360 HydrophobicContact CG2-CB 4.22Å; I282-L360 HydrophobicContact CG2-CD2 4.44Å; R284-L360 HydrophobicContact CG-CD1 4.06Å; F289-L360 HydrophobicContact CE1-CD1 4.45Å; F289-L360 HydrophobicContact CZ-CD1 4.02Å; L298-L360 HydrophobicContact CD2-CD2 4.24Å; L301-L360 HydrophobicContact CD2-CD2 4.49Å; F356-L360 HydrophobicContact CB-CB 4.34Å; F356-L360 HydrophobicContact CB-CD2 3.97Å; F356-L360 HydrophobicContact CB-CG 4.05Å; F356-L360 WeakPolarHBondContact CB-O 3.43Å; F356-L360 PolarHBondContact N-O 3Å; A357-L360 HydrophobicContact CB-CB 3.92Å; A357-L360 PolarHBondContact N-O 3.21Å; A357-L360 CarbonylContact O-C 3.54Å; A357-L360 VanDerWaalsContact O-C 3.23Å; A357-L360 PolarHBondContact O-N 2.93Å; A357-L360 VanDerWaalsContact O-O 3.11Å; L360-L362 HydrophobicContact CD1-CD2 3.98Å; L360-L362 HydrophobicContact CD1-CG 4.24Å; L360-L362 HydrophobicContact CG-CG 4.41Å | ||
| 361 | V | 94.9 | Very high | 93.8 | Very high | 40 Ų | 40 | 48 Ų | 48 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131 | 163 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | R284 K353 I355 | R284-V361 PolarHBondContact NH2-O 3.2Å; K353-V361 HydrophobicContact CB-CG1 4.24Å; K353-V361 HydrophobicContact CD-CG1 4.12Å; I355-V361 HydrophobicContact CD1-CB 4.28Å; I355-V361 HydrophobicContact CD1-CG1 3.84Å; I355-V361 HydrophobicContact CD1-CG2 3.62Å; I355-V361 HydrophobicContact CG2-CG2 4.5Å |
| 362 | L | 95.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.9 | 172 | -63.1 | 179.9 | 0 | 0 | 0 | 110.2 | F289 M294 L298 K353 L354 F356 L360 E366 F377 | F289-L362 HydrophobicContact CD2-CD2 4.31Å; F289-L362 HydrophobicContact CE2-CD2 3.52Å; F289-L362 HydrophobicContact CZ-CD2 3.69Å; M294-L362 HydrophobicContact CE-CD1 3.77Å; M294-L362 HydrophobicContact CE-CD2 3.71Å; M294-L362 HydrophobicContact CE-CG 4.37Å; M294-L362 HydrophobicContact CG-CD1 4.48Å; M294-L362 HydrophobicContact SD-CD1 4.05Å; L298-L362 HydrophobicContact CD2-CD1 4.44Å; K353-L362 WeakPolarHBondContact CA-O 2.98Å; L354-L362 PolarHBondContact N-O 3.33Å; L354-L362 PolarHBondContact O-N 3.21Å; F356-L362 HydrophobicContact CD2-CB 4.15Å; F356-L362 HydrophobicContact CD2-CD1 3.85Å; F356-L362 HydrophobicContact CD2-CG 4.06Å; F356-L362 HydrophobicContact CE2-CB 4.14Å; F356-L362 HydrophobicContact CE2-CD1 3.8Å; F356-L362 HydrophobicContact CE2-CG 4.3Å; L360-L362 HydrophobicContact CD1-CD2 3.98Å; L360-L362 HydrophobicContact CD1-CG 4.24Å; L360-L362 HydrophobicContact CG-CG 4.41Å; L362-E366 WeakPolarHBondContact CA-OE2 3.42Å; L362-E366 HydrophobicContact CD2-CB 4.22Å; L362-F377 HydrophobicContact CB-CE2 4.15Å; L362-F377 HydrophobicContact CB-CZ 4.42Å |
| 363 | D | 93.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 177.4 | 162.4 | 66.2 | 43.8 | 0 | 0 | 0 | 112.8 | K353 D365 E366 G367 F377 | K353-D363 HydrophobicContact CD-CB 4.06Å; K353-D363 HydrophobicContact CG-CB 3.94Å; K353-D363 IonicContact NZ-OD2 3.72Å; K353-D363 PolarHBondContact NZ-OD2 3Å; D363-D365 PolarHBondContact O-N 2.73Å; D363-D365 PolarHBondContact OD1-N 2.88Å; D363-E366 PolarHBondContact N-OE2 3.04Å; D363-E366 PolarHBondContact O-N 3.03Å; D363-E366 PolarHBondContact OD1-N 3.23Å; D363-E366 VanDerWaalsContact OD1-N 3.17Å; D363-G367 PolarHBondContact O-N 3.43Å; D363-F377 WeakPolarHBondContact O-CZ 3.49Å |
| 364 | R | 93.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 42.9 Ų | 42.9 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.7 | -174.6 | -165.2 | -179 | -173.1 | -82.1 | -2.7 | 113 | L374 F377 D378 | R364-L374 HydrophobicContact CG-CD2 4.3Å; R364-F377 HydrophobicContact CB-CD1 4.28Å; R364-F377 HydrophobicContact CB-CE1 4.16Å; R364-F377 HydrophobicContact CG-CD1 4.4Å; R364-D378 WeakPolarHBondContact CD-OD1 3.43Å; R364-D378 IonicContact CZ-OD1 3.18Å; R364-D378 IonicContact CZ-OD2 2.74Å; R364-D378 IonicContact NE-OD1 3.5Å; R364-D378 PolarHBondContact NE-OD1 2.94Å; R364-D378 IonicContact NE-OD2 3.46Å; R364-D378 PolarHBondContact NE-OD2 3Å; R364-D378 IonicContact NH2-OD1 2.74Å; R364-D378 IonicContact NH2-OD2 2.75Å; R364-D378 PolarHBondContact NH2-OD2 3.17Å |
| 365 | D | 92.3 | Very high | 93.2 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -40.5 | 177.4 | -72.2 | -43.6 | 0 | 0 | 0 | 111 | D363 G367 K368 | D363-D365 PolarHBondContact O-N 2.73Å; D363-D365 PolarHBondContact OD1-N 2.88Å; D365-G367 VanDerWaalsContact C-N 3.28Å; D365-G367 PolarHBondContact O-N 2.96Å; D365-K368 WeakPolarHBondContact O-CB 3.31Å; D365-K368 PolarHBondContact O-N 3.24Å; D365-K368 WeakPolarHBondContact OD1-CE 3.34Å; D365-K368 IonicContact OD1-NZ 3.98Å; D365-K368 PolarHBondContact OD1-NZ 3.33Å |
| 366 | E | 92.3 | Very high | 93.2 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -60.9 | -37.8 | 171.5 | -64.2 | -176.9 | 107.9 | 0 | 0 | 112 | R284 F289 M294 L362 D363 K368 C369 | R284-E366 IonicContact CZ-OE1 2.65Å; R284-E366 IonicContact NH2-OE1 3.58Å; R284-E366 PolarHBondContact NH2-OE1 3.33Å; R284-E366 IonicContact NH2-OE2 3.75Å; R284-E366 PolarHBondContact NH2-OE2 2.82Å; F289-E366 HydrophobicContact CD2-CB 4.28Å; F289-E366 HydrophobicContact CE2-CB 4.49Å; F289-E366 WeakPolarHBondContact CE2-OE1 3.18Å; M294-E366 HydrophobicContact CE-CB 4.36Å; M294-E366 VanDerWaalsContact CE-O 3.29Å; M294-E366 WeakPolarHBondContact CE-O 3.5Å; L362-E366 WeakPolarHBondContact CA-OE2 3.42Å; L362-E366 HydrophobicContact CD2-CB 4.22Å; D363-E366 PolarHBondContact N-OE2 3.04Å; D363-E366 PolarHBondContact O-N 3.03Å; D363-E366 PolarHBondContact OD1-N 3.23Å; D363-E366 VanDerWaalsContact OD1-N 3.17Å; E366-K368 PolarHBondContact O-N 2.91Å; E366-C369 PolarHBondContact O-SG 2.98Å |
| 367 | G | 90.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -63.5 | -14.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D363 D365 C369 V370 I373 | D363-G367 PolarHBondContact O-N 3.43Å; D365-G367 VanDerWaalsContact C-N 3.28Å; D365-G367 PolarHBondContact O-N 2.96Å; G367-C369 PolarHBondContact O-N 2.76Å; G367-C369 VanDerWaalsContact O-N 3.14Å; G367-V370 PolarHBondContact O-N 3.34Å; G367-I373 WeakPolarHBondContact O-CG2 3.02Å |
| 368 | K | 92.9 | Very high | 93.3 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 52% | 0.522 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -65.9 | -13.9 | -179.7 | -69.6 | 171.7 | 173.6 | 170.2 | 0 | 114.2 | D365 E366 V370 L374 | D365-K368 WeakPolarHBondContact O-CB 3.31Å; D365-K368 PolarHBondContact O-N 3.24Å; D365-K368 WeakPolarHBondContact OD1-CE 3.34Å; D365-K368 IonicContact OD1-NZ 3.98Å; D365-K368 PolarHBondContact OD1-NZ 3.33Å; E366-K368 PolarHBondContact O-N 2.91Å; K368-V370 VanDerWaalsContact C-N 3.27Å; K368-V370 PolarHBondContact O-N 3.46Å; K368-L374 HydrophobicContact CG-CD1 4.19Å; K368-L374 HydrophobicContact CG-CD2 4.23Å |
| 369 | C | 91.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 25% | 0.25 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -77.9 | -2.6 | -178 | 68.5 | 0 | 0 | 0 | 0 | 114.9 | F289 E291 E366 G367 | F289-C369 HydrophobicContact CB-CB 4.49Å; F289-C369 VanDerWaalsContact CB-SG 3.56Å; F289-C369 WeakPolarHBondContact O-CB 3.33Å; E291-C369 WeakPolarHBondContact CA-O 3.19Å; E291-C369 WeakPolarHBondContact CB-O 3.3Å; E291-C369 PolarHBondContact N-O 3.41Å; E366-C369 PolarHBondContact O-SG 2.98Å; G367-C369 PolarHBondContact O-N 2.76Å; G367-C369 VanDerWaalsContact O-N 3.14Å |
| 370 | V | 92.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -122.1 | 132.1 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | E291 M294 M295 G367 K368 G372 I373 M479 | E291-V370 HydrophobicContact CG-CB 4.29Å; E291-V370 HydrophobicContact CG-CG1 4.15Å; E291-V370 HydrophobicContact CG-CG2 4.15Å; M294-V370 HydrophobicContact CB-CG2 3.99Å; M294-V370 HydrophobicContact CG-CG2 3.98Å; M294-V370 HydrophobicContact SD-CG2 3.83Å; M295-V370 HydrophobicContact CG-CG1 3.83Å; M295-V370 HydrophobicContact CG-CG2 3.84Å; M295-V370 HydrophobicContact SD-CG1 3.87Å; M295-V370 HydrophobicContact SD-CG2 4.16Å; G367-V370 PolarHBondContact O-N 3.34Å; K368-V370 VanDerWaalsContact C-N 3.27Å; K368-V370 PolarHBondContact O-N 3.46Å; V370-G372 PolarHBondContact O-N 2.58Å; V370-I373 HydrophobicContact CB-CB 4.03Å; V370-I373 HydrophobicContact CB-CD1 4.41Å; V370-I373 HydrophobicContact CB-CG2 3.81Å; V370-I373 HydrophobicContact CG1-CB 4.04Å; V370-I373 HydrophobicContact CG1-CD1 4.38Å; V370-I373 HydrophobicContact CG1-CG2 4.39Å; V370-M479 HydrophobicContact CG1-CE 4.21Å |
| 371 | E | 89.7 | Confident | 93.9 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 61% | 0.607 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 127.9 | 179.5 | -170.9 | -176.9 | -142.7 | 0 | 0 | 112 | E291 I373 H475 K482 | E291-E371 PolarHBondContact OE1-N 3.09Å; E371-I373 PolarHBondContact O-N 3.13Å; E371-I373 VanDerWaalsContact O-N 3.16Å; E371-H475 PolarHBondContact O-CE1 2.83Å; E371-K482 IonicContact OE2-NZ 2.61Å; E371-K482 PolarHBondContact OE2-NZ 3.31Å |
| 372 | G | 88.9 | Confident | 94.1 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -12.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V370 L374 E375 | V370-G372 PolarHBondContact O-N 2.58Å; G372-L374 PolarHBondContact O-N 3.07Å; G372-L374 VanDerWaalsContact O-N 3.13Å; G372-E375 PolarHBondContact O-N 2.99Å |
| 373 | I | 93.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -24.4 | -177.5 | -152.1 | 171 | 0 | 0 | 0 | 113 | M295 L298 G367 V370 E371 E375 I376 F377 | M295-I373 HydrophobicContact SD-CD1 4.02Å; L298-I373 HydrophobicContact CD1-CD1 3.88Å; G367-I373 WeakPolarHBondContact O-CG2 3.02Å; V370-I373 HydrophobicContact CB-CB 4.03Å; V370-I373 HydrophobicContact CB-CD1 4.41Å; V370-I373 HydrophobicContact CB-CG2 3.81Å; V370-I373 HydrophobicContact CG1-CB 4.04Å; V370-I373 HydrophobicContact CG1-CD1 4.38Å; V370-I373 HydrophobicContact CG1-CG2 4.39Å; E371-I373 PolarHBondContact O-N 3.13Å; E371-I373 VanDerWaalsContact O-N 3.16Å; I373-E375 VanDerWaalsContact C-N 3.3Å; I373-E375 PolarHBondContact O-N 3.48Å; I373-I376 WeakPolarHBondContact O-CB 3.06Å; I373-I376 PolarHBondContact O-N 2.96Å; I373-I376 VanDerWaalsContact O-N 3.09Å; I373-F377 PolarHBondContact O-N 3.09Å |
| 374 | L | 94.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -33 | -177.3 | -64.2 | 178 | 0 | 0 | 0 | 113.2 | R364 K368 G372 I376 F377 D378 | R364-L374 HydrophobicContact CG-CD2 4.3Å; K368-L374 HydrophobicContact CG-CD1 4.19Å; K368-L374 HydrophobicContact CG-CD2 4.23Å; G372-L374 PolarHBondContact O-N 3.07Å; G372-L374 VanDerWaalsContact O-N 3.13Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.85Å; L374-F377 PolarHBondContact O-N 3.32Å; L374-D378 WeakPolarHBondContact O-CB 3.43Å; L374-D378 PolarHBondContact O-N 3.32Å |
| 375 | E | 95.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 43.1 Ų | 43.1 | 46% | 0.458 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.6 | -169.2 | -169.4 | -175.7 | 0 | 0 | 110.3 | G372 I373 D378 M379 K471 | G372-E375 PolarHBondContact O-N 2.99Å; I373-E375 VanDerWaalsContact C-N 3.3Å; I373-E375 PolarHBondContact O-N 3.48Å; E375-D378 PolarHBondContact O-N 3.28Å; E375-M379 HydrophobicContact CG-CE 4.02Å; E375-M379 WeakPolarHBondContact O-CE 3.43Å; E375-M379 WeakPolarHBondContact O-CG 3.21Å; E375-M379 PolarHBondContact O-N 3.3Å; E375-K471 WeakPolarHBondContact OE1-CE 3.48Å; E375-K471 IonicContact OE1-NZ 2.62Å; E375-K471 PolarHBondContact OE1-NZ 3.46Å; E375-K471 IonicContact OE2-NZ 3.17Å; E375-K471 PolarHBondContact OE2-NZ 3.42Å |
| 376 | I | 96.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.9 | -60 | 155.7 | 0 | 0 | 0 | 110.5 | M340 I373 L374 D378 M379 L380 K471 H475 | M340-I376 HydrophobicContact CE-CG2 3.85Å; I373-I376 WeakPolarHBondContact O-CB 3.06Å; I373-I376 PolarHBondContact O-N 2.96Å; I373-I376 VanDerWaalsContact O-N 3.09Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.85Å; I376-D378 PolarHBondContact O-N 3.44Å; I376-M379 HydrophobicContact CB-CE 4.41Å; I376-M379 HydrophobicContact CG1-CE 4.09Å; I376-M379 PolarHBondContact O-N 3.34Å; I376-L380 HydrophobicContact CG2-CD1 3.88Å; I376-L380 HydrophobicContact CG2-CG 4.38Å; I376-L380 WeakPolarHBondContact O-CB 3.32Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.19Å; I376-K471 HydrophobicContact CG1-CB 4.12Å; I376-H475 HydrophobicContact CD1-CB 3.53Å |
| 377 | F | 96.8 | Very high | 95 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -46 | 176.6 | -151.1 | -73.2 | 0 | 0 | 0 | 111.3 | L354 F356 L362 D363 R364 I373 L374 L380 L381 | L354-F377 HydrophobicContact CB-CE2 4.45Å; L354-F377 HydrophobicContact CB-CZ 4.05Å; L354-F377 HydrophobicContact CD1-CD1 3.88Å; L354-F377 HydrophobicContact CD1-CD2 3.88Å; L354-F377 HydrophobicContact CD1-CE1 3.78Å; L354-F377 HydrophobicContact CD1-CE2 3.79Å; L354-F377 HydrophobicContact CD1-CG 3.92Å; L354-F377 HydrophobicContact CD1-CZ 3.73Å; L354-F377 HydrophobicContact CG-CD1 4.41Å; L354-F377 HydrophobicContact CG-CE1 3.87Å; L354-F377 HydrophobicContact CG-CE2 4.33Å; L354-F377 HydrophobicContact CG-CZ 3.82Å; F356-F377 HydrophobicContact CE2-CE2 4.46Å; L362-F377 HydrophobicContact CB-CE2 4.15Å; L362-F377 HydrophobicContact CB-CZ 4.42Å; D363-F377 WeakPolarHBondContact O-CZ 3.49Å; R364-F377 HydrophobicContact CB-CD1 4.28Å; R364-F377 HydrophobicContact CB-CE1 4.16Å; R364-F377 HydrophobicContact CG-CD1 4.4Å; I373-F377 PolarHBondContact O-N 3.09Å; L374-F377 PolarHBondContact O-N 3.32Å; F377-L380 PolarHBondContact O-N 3.49Å; F377-L381 HydrophobicContact CD1-CD1 3.73Å; F377-L381 HydrophobicContact CD1-CG 3.93Å; F377-L381 HydrophobicContact CE1-CD1 3.81Å; F377-L381 HydrophobicContact CE1-CD2 4.31Å; F377-L381 HydrophobicContact CE1-CG 4.01Å; F377-L381 WeakPolarHBondContact O-CG 3.35Å; F377-L381 PolarHBondContact O-N 2.99Å |
| 378 | D | 96.5 | Very high | 95.4 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.5 | -39.5 | 178.6 | -71.1 | -25 | 0 | 0 | 0 | 112.2 | R364 L374 E375 I376 L380 L381 A382 | R364-D378 WeakPolarHBondContact CD-OD1 3.43Å; R364-D378 IonicContact CZ-OD1 3.18Å; R364-D378 IonicContact CZ-OD2 2.74Å; R364-D378 IonicContact NE-OD1 3.5Å; R364-D378 PolarHBondContact NE-OD1 2.94Å; R364-D378 IonicContact NE-OD2 3.46Å; R364-D378 PolarHBondContact NE-OD2 3Å; R364-D378 IonicContact NH2-OD1 2.74Å; R364-D378 IonicContact NH2-OD2 2.75Å; R364-D378 PolarHBondContact NH2-OD2 3.17Å; L374-D378 WeakPolarHBondContact O-CB 3.43Å; L374-D378 PolarHBondContact O-N 3.32Å; E375-D378 PolarHBondContact O-N 3.28Å; I376-D378 PolarHBondContact O-N 3.44Å; D378-L380 PolarHBondContact O-N 3.28Å; D378-L381 PolarHBondContact O-N 3.01Å; D378-A382 VanDerWaalsContact O-CB 3.29Å; D378-A382 WeakPolarHBondContact O-CB 3.47Å; D378-A382 PolarHBondContact O-N 3.3Å |
| 379 | M | 97.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 172.1 | -77.6 | -174.2 | -69.7 | 0 | 0 | 112.7 | E375 I376 T383 A468 K471 | E375-M379 HydrophobicContact CG-CE 4.02Å; E375-M379 WeakPolarHBondContact O-CE 3.43Å; E375-M379 WeakPolarHBondContact O-CG 3.21Å; E375-M379 PolarHBondContact O-N 3.3Å; I376-M379 HydrophobicContact CB-CE 4.41Å; I376-M379 HydrophobicContact CG1-CE 4.09Å; I376-M379 PolarHBondContact O-N 3.34Å; M379-T383 WeakPolarHBondContact O-CB 3.31Å; M379-T383 PolarHBondContact O-N 2.87Å; M379-T383 PolarHBondContact O-OG1 2.99Å; M379-A468 HydrophobicContact CB-CB 4.35Å; M379-K471 HydrophobicContact CE-CB 3.54Å; M379-K471 HydrophobicContact CE-CD 4.27Å; M379-K471 HydrophobicContact CE-CG 3.68Å; M379-K471 HydrophobicContact SD-CG 4.35Å |
| 380 | L | 97.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -44 | 177 | -74 | 168 | 0 | 0 | 0 | 111.5 | M340 L343 M344 L354 I376 F377 D378 T383 T384 | M340-L380 HydrophobicContact CB-CD2 4.1Å; M340-L380 HydrophobicContact CG-CD2 4.02Å; M340-L380 HydrophobicContact SD-CD2 3.84Å; L343-L380 HydrophobicContact CD2-CD1 3.86Å; L343-L380 HydrophobicContact CD2-CD2 4.46Å; M344-L380 HydrophobicContact CE-CD2 4.18Å; M344-L380 HydrophobicContact CG-CD2 3.74Å; M344-L380 HydrophobicContact SD-CD2 3.76Å; L354-L380 HydrophobicContact CD1-CB 3.87Å; L354-L380 HydrophobicContact CD1-CD1 3.91Å; L354-L380 HydrophobicContact CD2-CB 4.14Å; I376-L380 HydrophobicContact CG2-CD1 3.88Å; I376-L380 HydrophobicContact CG2-CG 4.38Å; I376-L380 WeakPolarHBondContact O-CB 3.32Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.19Å; F377-L380 PolarHBondContact O-N 3.49Å; D378-L380 PolarHBondContact O-N 3.28Å; L380-T383 PolarHBondContact O-N 3.37Å; L380-T384 VanDerWaalsContact O-CB 3.27Å; L380-T384 WeakPolarHBondContact O-CB 3.27Å; L380-T384 PolarHBondContact O-N 3.36Å; L380-T384 PolarHBondContact O-OG1 2.9Å |
| 381 | L | 97.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 175.6 | -74.7 | -179.2 | 0 | 0 | 0 | 112.2 | L354 F377 D378 T384 S385 | L354-L381 HydrophobicContact CD2-CD2 3.96Å; L354-L381 HydrophobicContact CG-CD2 4.13Å; F377-L381 HydrophobicContact CD1-CD1 3.73Å; F377-L381 HydrophobicContact CD1-CG 3.93Å; F377-L381 HydrophobicContact CE1-CD1 3.81Å; F377-L381 HydrophobicContact CE1-CD2 4.31Å; F377-L381 HydrophobicContact CE1-CG 4.01Å; F377-L381 WeakPolarHBondContact O-CG 3.35Å; F377-L381 PolarHBondContact O-N 2.99Å; D378-L381 PolarHBondContact O-N 3.01Å; L381-T384 PolarHBondContact O-N 3.26Å; L381-S385 PolarHBondContact O-N 3.4Å |
| 382 | A | 97.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 45 Ų | 45 | 52% | 0.521 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D378 T384 S385 R386 | D378-A382 VanDerWaalsContact O-CB 3.29Å; D378-A382 WeakPolarHBondContact O-CB 3.47Å; D378-A382 PolarHBondContact O-N 3.3Å; A382-T384 VanDerWaalsContact C-N 3.34Å; A382-T384 PolarHBondContact O-N 3.47Å; A382-S385 VanDerWaalsContact O-CB 3.3Å; A382-S385 WeakPolarHBondContact O-CB 3.31Å; A382-S385 PolarHBondContact O-N 2.65Å; A382-S385 VanDerWaalsContact O-N 3.13Å; A382-R386 PolarHBondContact O-N 3.17Å |
| 383 | T | 97.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | M344 M379 L380 S385 R386 F387 H464 | M344-T383 HydrophobicContact CE-CG2 4.04Å; M344-T383 WeakPolarHBondContact SD-CB 3.38Å; M344-T383 HydrophobicContact SD-CG2 3.47Å; M344-T383 WeakPolarHBondContact SD-CG2 3.36Å; M379-T383 WeakPolarHBondContact O-CB 3.31Å; M379-T383 PolarHBondContact O-N 2.87Å; M379-T383 PolarHBondContact O-OG1 2.99Å; L380-T383 PolarHBondContact O-N 3.37Å; T383-S385 VanDerWaalsContact C-N 3.34Å; T383-S385 PolarHBondContact O-N 3.2Å; T383-R386 WeakPolarHBondContact O-CB 3.12Å; T383-R386 PolarHBondContact O-N 3.04Å; T383-R386 VanDerWaalsContact O-N 3.13Å; T383-F387 HydrophobicContact CG2-CD1 4.42Å; T383-F387 HydrophobicContact CG2-CE1 3.78Å; T383-F387 HydrophobicContact CG2-CZ 4.36Å; T383-F387 WeakPolarHBondContact O-CD1 3.21Å; T383-F387 PolarHBondContact O-N 3.34Å; T383-F387 VanDerWaalsContact O-N 3.1Å; T383-H464 HydrophobicContact CG2-CB 3.92Å |
| 384 | T | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 171.3 | -55.6 | 0 | 0 | 0 | 0 | 112 | M344 S347 L380 L381 A382 R386 F387 R388 | M344-T384 WeakPolarHBondContact CB-OG1 3.46Å; M344-T384 WeakPolarHBondContact CG-OG1 3.34Å; S347-T384 WeakPolarHBondContact O-CG2 3.3Å; L380-T384 VanDerWaalsContact O-CB 3.27Å; L380-T384 WeakPolarHBondContact O-CB 3.27Å; L380-T384 PolarHBondContact O-N 3.36Å; L380-T384 PolarHBondContact O-OG1 2.9Å; L381-T384 PolarHBondContact O-N 3.26Å; A382-T384 VanDerWaalsContact C-N 3.34Å; A382-T384 PolarHBondContact O-N 3.47Å; T384-R386 VanDerWaalsContact C-N 3.31Å; T384-R386 PolarHBondContact O-N 3.07Å; T384-F387 WeakPolarHBondContact O-CB 3.28Å; T384-F387 PolarHBondContact O-N 3.47Å; T384-R388 PolarHBondContact O-N 3.29Å |
| 385 | S | 97.7 | Very high | 97 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 170.4 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | L381 A382 T383 F387 R388 E389 | L381-S385 PolarHBondContact O-N 3.4Å; A382-S385 VanDerWaalsContact O-CB 3.3Å; A382-S385 WeakPolarHBondContact O-CB 3.31Å; A382-S385 PolarHBondContact O-N 2.65Å; A382-S385 VanDerWaalsContact O-N 3.13Å; T383-S385 VanDerWaalsContact C-N 3.34Å; T383-S385 PolarHBondContact O-N 3.2Å; S385-F387 VanDerWaalsContact C-N 3.26Å; S385-F387 PolarHBondContact O-N 3.46Å; S385-R388 WeakPolarHBondContact O-CB 3.2Å; S385-R388 PolarHBondContact O-N 2.92Å; S385-R388 VanDerWaalsContact O-N 3.08Å; S385-E389 WeakPolarHBondContact O-CG 3.36Å; S385-E389 PolarHBondContact O-N 3.5Å; S385-E389 PolarHBondContact OG-OE1 3.48Å |
| 386 | R | 97.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -32.9 | 177.1 | -166.2 | 55.8 | 174.7 | 175.8 | 1.1 | 112.9 | A382 T383 T384 E389 L390 L461 | A382-R386 PolarHBondContact O-N 3.17Å; T383-R386 WeakPolarHBondContact O-CB 3.12Å; T383-R386 PolarHBondContact O-N 3.04Å; T383-R386 VanDerWaalsContact O-N 3.13Å; T384-R386 VanDerWaalsContact C-N 3.31Å; T384-R386 PolarHBondContact O-N 3.07Å; R386-E389 WeakPolarHBondContact CD-OE2 3.41Å; R386-E389 IonicContact CZ-OE2 3.67Å; R386-E389 IonicContact NE-OE2 3.63Å; R386-E389 IonicContact NH1-OE2 2.7Å; R386-E389 PolarHBondContact NH1-OE2 2.93Å; R386-L390 HydrophobicContact CG-CD1 4.23Å; R386-L390 WeakPolarHBondContact O-CB 3.43Å; R386-L390 VanDerWaalsContact O-CG 3.32Å; R386-L390 WeakPolarHBondContact O-CG 3.39Å; R386-L390 PolarHBondContact O-N 2.81Å; R386-L390 VanDerWaalsContact O-N 3.09Å; R386-L461 HydrophobicContact CB-CD2 4.47Å; R386-L461 HydrophobicContact CG-CD2 3.88Å |
| 387 | F | 97.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 173.9 | -69.7 | 16.8 | 0 | 0 | 0 | 111.5 | V341 M344 I348 T383 T384 S385 K391 L392 L461 V465 | V341-F387 HydrophobicContact CG2-CE2 4.14Å; V341-F387 HydrophobicContact CG2-CZ 3.99Å; M344-F387 HydrophobicContact CB-CD2 4.21Å; M344-F387 HydrophobicContact CB-CE2 3.71Å; M344-F387 HydrophobicContact CB-CZ 4.23Å; M344-F387 HydrophobicContact CE-CZ 4.26Å; M344-F387 HydrophobicContact SD-CZ 4.49Å; I348-F387 HydrophobicContact CD1-CB 3.86Å; I348-F387 HydrophobicContact CG1-CB 4.19Å; T383-F387 HydrophobicContact CG2-CD1 4.42Å; T383-F387 HydrophobicContact CG2-CE1 3.78Å; T383-F387 HydrophobicContact CG2-CZ 4.36Å; T383-F387 WeakPolarHBondContact O-CD1 3.21Å; T383-F387 PolarHBondContact O-N 3.34Å; T383-F387 VanDerWaalsContact O-N 3.1Å; T384-F387 WeakPolarHBondContact O-CB 3.28Å; T384-F387 PolarHBondContact O-N 3.47Å; S385-F387 VanDerWaalsContact C-N 3.26Å; S385-F387 PolarHBondContact O-N 3.46Å; F387-K391 PolarHBondContact O-N 2.77Å; F387-L392 HydrophobicContact CB-CB 4.37Å; F387-L392 HydrophobicContact CB-CD2 4.17Å; F387-L392 HydrophobicContact CD1-CD2 4.37Å; F387-L392 HydrophobicContact CD2-CD2 3.63Å; F387-L392 HydrophobicContact CE2-CD2 4.07Å; F387-L392 HydrophobicContact CG-CD2 3.8Å; F387-L392 PolarHBondContact O-N 3.47Å; F387-L392 VanDerWaalsContact O-N 3.08Å; F387-L461 HydrophobicContact CD1-CD1 3.89Å; F387-L461 HydrophobicContact CD1-CD2 4.01Å; F387-L461 HydrophobicContact CD1-CG 4.5Å; F387-L461 HydrophobicContact CE1-CB 4.24Å; F387-L461 HydrophobicContact CE1-CD1 3.79Å; F387-L461 HydrophobicContact CE1-CD2 3.94Å; F387-L461 HydrophobicContact CE1-CG 4.2Å; F387-V465 HydrophobicContact CZ-CG2 4.49Å |
| 388 | R | 97.3 | Very high | 97.3 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -49 | 172.6 | -75.8 | -173 | -71.6 | -88 | -1.2 | 112.2 | I348 T384 S385 L390 K391 | I348-R388 HydrophobicContact CG1-CG 3.79Å; I348-R388 WeakPolarHBondContact O-CD 3.29Å; I348-R388 WeakPolarHBondContact O-CG 3.46Å; I348-R388 PolarHBondContact O-NH1 2.94Å; T384-R388 PolarHBondContact O-N 3.29Å; S385-R388 WeakPolarHBondContact O-CB 3.2Å; S385-R388 PolarHBondContact O-N 2.92Å; S385-R388 VanDerWaalsContact O-N 3.08Å; R388-L390 VanDerWaalsContact C-N 3.33Å; R388-L390 PolarHBondContact O-N 3.4Å; R388-K391 WeakPolarHBondContact O-CA 3.23Å; R388-K391 PolarHBondContact O-N 3.36Å |
| 389 | E | 96.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 42.3 Ų | 42.3 | 49% | 0.491 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.6 | -44.3 | -178.8 | -72.4 | 157.5 | -139.3 | 0 | 0 | 112.3 | S385 R386 K391 | S385-E389 WeakPolarHBondContact O-CG 3.36Å; S385-E389 PolarHBondContact O-N 3.5Å; S385-E389 PolarHBondContact OG-OE1 3.48Å; R386-E389 WeakPolarHBondContact CD-OE2 3.41Å; R386-E389 IonicContact CZ-OE2 3.67Å; R386-E389 IonicContact NE-OE2 3.63Å; R386-E389 IonicContact NH1-OE2 2.7Å; R386-E389 PolarHBondContact NH1-OE2 2.93Å; E389-K391 PolarHBondContact O-N 2.99Å |
| 390 | L | 95.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.1 | 176.5 | -67.6 | 175.4 | 0 | 0 | 0 | 113.1 | R386 R388 R454 N457 L458 L461 | R386-L390 HydrophobicContact CG-CD1 4.23Å; R386-L390 WeakPolarHBondContact O-CB 3.43Å; R386-L390 VanDerWaalsContact O-CG 3.32Å; R386-L390 WeakPolarHBondContact O-CG 3.39Å; R386-L390 PolarHBondContact O-N 2.81Å; R386-L390 VanDerWaalsContact O-N 3.09Å; R388-L390 VanDerWaalsContact C-N 3.33Å; R388-L390 PolarHBondContact O-N 3.4Å; L390-R454 PolarHBondContact O-NH1 3.44Å; L390-R454 PolarHBondContact O-NH2 2.99Å; L390-N457 HydrophobicContact CD1-CB 4.34Å; L390-N457 HydrophobicContact CD2-CB 3.86Å; L390-L458 HydrophobicContact CD1-CD2 4.45Å; L390-L461 HydrophobicContact CD1-CD1 4.1Å; L390-L461 HydrophobicContact CD1-CD2 3.86Å; L390-L461 HydrophobicContact CD1-CG 4.21Å |
| 391 | K | 96.2 | Very high | 97.4 | Very high | 168 Ų | 168 | 41.2 Ų | 41.2 | 73% | 0.73 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 60 | -169 | -59.1 | -178 | -178.9 | -177.8 | 0 | 110.1 | F387 R388 E389 Q393 R454 | F387-K391 PolarHBondContact O-N 2.77Å; R388-K391 WeakPolarHBondContact O-CA 3.23Å; R388-K391 PolarHBondContact O-N 3.36Å; E389-K391 PolarHBondContact O-N 2.99Å; K391-Q393 PolarHBondContact O-N 3.14Å; K391-R454 PolarHBondContact O-NH2 3Å |
| 392 | L | 97 | Very high | 97.4 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | trans | -59.6 | 119.4 | -178.3 | -178.7 | 63.8 | 0 | 0 | 0 | 110.1 | W345 I348 F387 E396 L458 | W345-L392 HydrophobicContact CE3-CD2 3.98Å; W345-L392 HydrophobicContact CE3-CG 4.39Å; W345-L392 HydrophobicContact CZ3-CB 4.24Å; W345-L392 HydrophobicContact CZ3-CD2 3.98Å; W345-L392 HydrophobicContact CZ3-CG 3.9Å; W345-L392 WeakPolarHBondContact CZ3-O 3.3Å; I348-L392 HydrophobicContact CD1-CB 4.46Å; F387-L392 HydrophobicContact CB-CB 4.37Å; F387-L392 HydrophobicContact CB-CD2 4.17Å; F387-L392 HydrophobicContact CD1-CD2 4.37Å; F387-L392 HydrophobicContact CD2-CD2 3.63Å; F387-L392 HydrophobicContact CE2-CD2 4.07Å; F387-L392 HydrophobicContact CG-CD2 3.8Å; F387-L392 PolarHBondContact O-N 3.47Å; F387-L392 VanDerWaalsContact O-N 3.08Å; L392-E396 HydrophobicContact CD1-CB 3.81Å; L392-L458 HydrophobicContact CD1-CD2 3.44Å; L392-L458 VanDerWaalsContact CD1-CD2 3.44Å | ||
| 393 | Q | 96.7 | Very high | 97.3 | Very high | 78 Ų | 78 | 37.3 Ų | 37.3 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | trans | -79.7 | 149.4 | 176.8 | -59.4 | 177.7 | 11.6 | 0 | 0 | 110.3 | K391 K395 E396 Y397 S444 | K391-Q393 PolarHBondContact O-N 3.14Å; Q393-K395 VanDerWaalsContact C-N 3.27Å; Q393-K395 PolarHBondContact O-N 3.49Å; Q393-E396 HydrophobicContact CB-CB 4.47Å; Q393-E396 HydrophobicContact CB-CG 4.04Å; Q393-E396 WeakPolarHBondContact CB-OE2 3.39Å; Q393-E396 WeakPolarHBondContact CG-OE2 3.35Å; Q393-E396 PolarHBondContact N-OE2 3.42Å; Q393-E396 WeakPolarHBondContact O-CB 3.34Å; Q393-E396 PolarHBondContact O-N 2.94Å; Q393-Y397 PolarHBondContact O-N 3.42Å; Q393-S444 PolarHBondContact NE2-OG 2.89Å | ||
| 394 | H | 97.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 37 Ų | 37 | 32% | 0.319 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.4 | -40.7 | 179.6 | -172.3 | 62.6 | 0 | 0 | 0 | 112.8 | L273 W345 E396 Y397 L398 | L273-H394 WeakPolarHBondContact CD1-NE2 3.35Å; W345-H394 AromaticContact CE2-ND1 3.37Å; W345-H394 HydrophobicContact CH2-CB 3.94Å; W345-H394 HydrophobicContact CZ2-CB 3.66Å; W345-H394 AromaticContact CZ2-CG 3.81Å; W345-H394 AromaticContact CZ2-ND1 3.23Å; W345-H394 WeakPolarHBondContact CZ2-ND1 3.31Å; W345-H394 AromaticContact NE1-CE1 3.86Å; W345-H394 AromaticContact NE1-ND1 3.39Å; W345-H394 PolarHBondContact NE1-ND1 3.4Å; H394-E396 VanDerWaalsContact C-N 3.31Å; H394-E396 PolarHBondContact O-N 2.87Å; H394-Y397 AromaticContact ND1-CD1 3.79Å; H394-Y397 WeakPolarHBondContact O-CB 3.27Å; H394-Y397 PolarHBondContact O-N 3.06Å; H394-L398 WeakPolarHBondContact O-CG 3.42Å; H394-L398 PolarHBondContact O-N 2.93Å |
| 395 | K | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.1 | -33.7 | 175.7 | -70.4 | -174.1 | 171 | -168.2 | 0 | 113.3 | V269 Q393 C399 V440 | V269-K395 HydrophobicContact CG1-CB 3.98Å; V269-K395 HydrophobicContact CG1-CD 3.79Å; V269-K395 HydrophobicContact CG1-CG 3.74Å; Q393-K395 VanDerWaalsContact C-N 3.27Å; Q393-K395 PolarHBondContact O-N 3.49Å; K395-C399 PolarHBondContact O-N 2.98Å; K395-C399 PolarHBondContact O-SG 2.74Å; K395-V440 HydrophobicContact CB-CG1 3.72Å; K395-V440 HydrophobicContact CB-CG2 3.93Å |
| 396 | E | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.2 | -42.1 | 175.4 | -61.6 | 171.8 | 136 | 0 | 0 | 111 | L392 Q393 H394 L398 C399 V400 L437 V440 R454 L458 | L392-E396 HydrophobicContact CD1-CB 3.81Å; Q393-E396 HydrophobicContact CB-CB 4.47Å; Q393-E396 HydrophobicContact CB-CG 4.04Å; Q393-E396 WeakPolarHBondContact CB-OE2 3.39Å; Q393-E396 WeakPolarHBondContact CG-OE2 3.35Å; Q393-E396 PolarHBondContact N-OE2 3.42Å; Q393-E396 WeakPolarHBondContact O-CB 3.34Å; Q393-E396 PolarHBondContact O-N 2.94Å; H394-E396 VanDerWaalsContact C-N 3.31Å; H394-E396 PolarHBondContact O-N 2.87Å; E396-L398 PolarHBondContact O-N 2.74Å; E396-C399 PolarHBondContact O-N 3.34Å; E396-V400 WeakPolarHBondContact O-CG2 3.44Å; E396-V400 PolarHBondContact O-N 3.29Å; E396-L437 HydrophobicContact CB-CD1 4.04Å; E396-L437 HydrophobicContact CG-CD1 4.18Å; E396-V440 HydrophobicContact CG-CG1 3.57Å; E396-R454 IonicContact OE1-CZ 3.42Å; E396-R454 IonicContact OE1-NE 2.71Å; E396-R454 PolarHBondContact OE1-NE 2.65Å; E396-R454 IonicContact OE1-NH2 3.3Å; E396-R454 PolarHBondContact OE1-NH2 3.21Å; E396-R454 IonicContact OE2-CZ 3.59Å; E396-R454 IonicContact OE2-NE 3.67Å; E396-R454 IonicContact OE2-NH2 2.7Å; E396-R454 PolarHBondContact OE2-NH2 2.88Å; E396-L458 HydrophobicContact CB-CD1 4.11Å; E396-L458 HydrophobicContact CG-CD1 4.2Å |
| 397 | Y | 98.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -46 | 172.8 | 156.8 | -100.4 | 0 | 0 | 0 | 111.9 | V341 W345 Q393 H394 C399 V400 K401 | V341-Y397 HydrophobicContact CG1-CE2 4.27Å; V341-Y397 HydrophobicContact CG2-CD2 4.39Å; V341-Y397 HydrophobicContact CG2-CE2 4.2Å; W345-Y397 HydrophobicContact CB-CD2 3.73Å; W345-Y397 HydrophobicContact CB-CE1 4.27Å; W345-Y397 HydrophobicContact CB-CE2 3.37Å; W345-Y397 HydrophobicContact CB-CG 4.32Å; W345-Y397 AromaticContact CD1-CE1 3.68Å; W345-Y397 AromaticContact CD1-CZ 3.84Å; W345-Y397 AromaticContact CD2-CD1 3.7Å; W345-Y397 HydrophobicContact CD2-CD1 3.7Å; W345-Y397 AromaticContact CD2-CD2 3.87Å; W345-Y397 HydrophobicContact CD2-CD2 3.87Å; W345-Y397 HydrophobicContact CD2-CE1 4.1Å; W345-Y397 HydrophobicContact CD2-CE2 4.26Å; W345-Y397 AromaticContact CD2-CG 3.56Å; W345-Y397 HydrophobicContact CD2-CG 3.56Å; W345-Y397 AromaticContact CE2-CD1 3.95Å; W345-Y397 HydrophobicContact CE3-CD1 4.16Å; W345-Y397 AromaticContact CE3-CD2 3.88Å; W345-Y397 HydrophobicContact CE3-CD2 3.88Å; W345-Y397 AromaticContact CE3-CG 3.58Å; W345-Y397 HydrophobicContact CE3-CG 3.58Å; W345-Y397 AromaticContact CG-CD1 3.83Å; W345-Y397 HydrophobicContact CG-CD1 3.83Å; W345-Y397 AromaticContact CG-CD2 3.79Å; W345-Y397 HydrophobicContact CG-CD2 3.79Å; W345-Y397 AromaticContact CG-CE1 3.72Å; W345-Y397 HydrophobicContact CG-CE1 3.72Å; W345-Y397 AromaticContact CG-CE2 3.68Å; W345-Y397 HydrophobicContact CG-CE2 3.68Å; W345-Y397 AromaticContact CG-CG 3.86Å; W345-Y397 HydrophobicContact CG-CG 3.86Å; W345-Y397 AromaticContact CG-CZ 3.62Å; W345-Y397 HydrophobicContact CZ3-CG 4.27Å; Q393-Y397 PolarHBondContact O-N 3.42Å; H394-Y397 AromaticContact ND1-CD1 3.79Å; H394-Y397 WeakPolarHBondContact O-CB 3.27Å; H394-Y397 PolarHBondContact O-N 3.06Å; Y397-C399 VanDerWaalsContact C-N 3.33Å; Y397-C399 PolarHBondContact O-N 2.84Å; Y397-V400 PolarHBondContact O-N 3.25Å; Y397-K401 HydrophobicContact CE1-CD 4.32Å; Y397-K401 HydrophobicContact CE2-CB 4.41Å; Y397-K401 HydrophobicContact CE2-CD 4.41Å; Y397-K401 VanDerWaalsContact O-CB 3.27Å; Y397-K401 WeakPolarHBondContact O-CB 3.11Å; Y397-K401 PolarHBondContact O-N 2.97Å |
| 398 | L | 98.2 | Very high | 95 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 177.4 | -69.8 | 173.6 | 0 | 0 | 0 | 111.9 | L272 L273 E276 H394 E396 A402 | L272-L398 HydrophobicContact CB-CB 4.27Å; L273-L398 HydrophobicContact CB-CD1 3.88Å; L273-L398 HydrophobicContact CD1-CD1 3.91Å; E276-L398 VanDerWaalsContact CD-CD2 3.42Å; E276-L398 HydrophobicContact CG-CD2 3.4Å; E276-L398 VanDerWaalsContact CG-CD2 3.4Å; H394-L398 WeakPolarHBondContact O-CG 3.42Å; H394-L398 PolarHBondContact O-N 2.93Å; E396-L398 PolarHBondContact O-N 2.74Å; L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 3.28Å |
| 399 | C | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 174.2 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | K395 E396 Y397 K401 A402 M403 V433 L437 | K395-C399 PolarHBondContact O-N 2.98Å; K395-C399 PolarHBondContact O-SG 2.74Å; E396-C399 PolarHBondContact O-N 3.34Å; Y397-C399 VanDerWaalsContact C-N 3.33Å; Y397-C399 PolarHBondContact O-N 2.84Å; C399-K401 VanDerWaalsContact C-N 3.31Å; C399-K401 PolarHBondContact O-N 3.23Å; C399-A402 CarbonylContact O-C 3.58Å; C399-A402 PolarHBondContact O-N 3.15Å; C399-M403 VanDerWaalsContact O-CG 3.32Å; C399-M403 WeakPolarHBondContact O-CG 3.25Å; C399-M403 PolarHBondContact O-N 3.21Å; C399-V433 HydrophobicContact CB-CG1 4.3Å; C399-V433 WeakPolarHBondContact O-CG1 3.42Å; C399-L437 HydrophobicContact CB-CB 3.85Å; C399-L437 HydrophobicContact CB-CD1 4.01Å; C399-L437 HydrophobicContact CB-CG 4.39Å |
| 400 | V | 97.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 178.2 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | E396 Y397 M403 I404 L437 L458 L462 | E396-V400 WeakPolarHBondContact O-CG2 3.44Å; E396-V400 PolarHBondContact O-N 3.29Å; Y397-V400 PolarHBondContact O-N 3.25Å; V400-M403 WeakPolarHBondContact O-CB 3.14Å; V400-M403 PolarHBondContact O-N 3.36Å; V400-I404 HydrophobicContact CG1-CD1 4.37Å; V400-I404 WeakPolarHBondContact O-CG1 3.27Å; V400-I404 PolarHBondContact O-N 3.25Å; V400-L437 HydrophobicContact CG2-CD2 4.39Å; V400-L458 HydrophobicContact CG2-CB 4.44Å; V400-L462 HydrophobicContact CG1-CD2 3.94Å |
| 401 | K | 97.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.2 | -169.3 | -167.7 | -172.5 | -174.8 | 0 | 112 | E276 W312 V338 V341 Y397 C399 I404 L405 | E276-K401 IonicContact OE1-NZ 2.73Å; E276-K401 PolarHBondContact OE1-NZ 3.5Å; E276-K401 IonicContact OE2-NZ 3.33Å; E276-K401 PolarHBondContact OE2-NZ 3.33Å; W312-K401 HydrophobicContact CH2-CD 4.3Å; W312-K401 HydrophobicContact CH2-CG 3.9Å; W312-K401 HydrophobicContact CZ2-CB 4.37Å; W312-K401 HydrophobicContact CZ2-CD 3.6Å; W312-K401 HydrophobicContact CZ2-CG 3.62Å; V338-K401 HydrophobicContact CG1-CG 4.43Å; V341-K401 HydrophobicContact CG1-CB 4.34Å; V341-K401 HydrophobicContact CG1-CG 3.95Å; Y397-K401 HydrophobicContact CE1-CD 4.32Å; Y397-K401 HydrophobicContact CE2-CB 4.41Å; Y397-K401 HydrophobicContact CE2-CD 4.41Å; Y397-K401 VanDerWaalsContact O-CB 3.27Å; Y397-K401 WeakPolarHBondContact O-CB 3.11Å; Y397-K401 PolarHBondContact O-N 2.97Å; C399-K401 VanDerWaalsContact C-N 3.31Å; C399-K401 PolarHBondContact O-N 3.23Å; K401-I404 PolarHBondContact O-N 3.42Å; K401-L405 PolarHBondContact O-N 3.32Å |
| 402 | A | 97.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.4 | -34.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L272 I316 L398 C399 L405 L406 V433 | L272-A402 HydrophobicContact CD1-CB 4.07Å; L272-A402 HydrophobicContact CD2-CB 3.9Å; I316-A402 HydrophobicContact CD1-CB 4.46Å; L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 3.28Å; C399-A402 CarbonylContact O-C 3.58Å; C399-A402 PolarHBondContact O-N 3.15Å; A402-L405 PolarHBondContact O-N 2.88Å; A402-L406 WeakPolarHBondContact O-CG 3.08Å; A402-L406 PolarHBondContact O-N 3.28Å; A402-V433 HydrophobicContact CB-CG1 3.83Å; A402-V433 HydrophobicContact CB-CG2 4.26Å |
| 403 | M | 96.3 | Very high | 84.3 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.054 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 171.8 | -69.8 | -172.7 | 78.3 | 0 | 0 | 111.3 | C399 V400 L405 L406 N407 L430 V433 T434 L437 L459 | C399-M403 VanDerWaalsContact O-CG 3.32Å; C399-M403 WeakPolarHBondContact O-CG 3.25Å; C399-M403 PolarHBondContact O-N 3.21Å; V400-M403 WeakPolarHBondContact O-CB 3.14Å; V400-M403 PolarHBondContact O-N 3.36Å; M403-L405 VanDerWaalsContact C-N 3.3Å; M403-L405 PolarHBondContact O-N 3.34Å; M403-L406 PolarHBondContact O-N 2.65Å; M403-N407 WeakPolarHBondContact O-CA 3.34Å; M403-N407 WeakPolarHBondContact O-CB 3.34Å; M403-N407 PolarHBondContact O-N 2.82Å; M403-L430 HydrophobicContact CB-CD1 4.34Å; M403-L430 HydrophobicContact CE-CD1 3.98Å; M403-L430 HydrophobicContact CG-CD1 4.24Å; M403-V433 HydrophobicContact CG-CB 4.41Å; M403-V433 HydrophobicContact CG-CG1 3.6Å; M403-T434 WeakPolarHBondContact CE-OG1 3.35Å; M403-L437 HydrophobicContact SD-CD2 3.93Å; M403-L459 HydrophobicContact CE-CD2 3.6Å; M403-L459 HydrophobicContact SD-CD2 3.95Å |
| 404 | I | 96.2 | Very high | 81.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -42.9 | 176.3 | -73.4 | 163.1 | 0 | 0 | 0 | 111.7 | C334 E337 V338 V341 V400 K401 L462 V465 | C334-I404 HydrophobicContact CB-CG2 4.11Å; E337-I404 HydrophobicContact CB-CG2 3.41Å; E337-I404 VanDerWaalsContact CB-CG2 3.41Å; E337-I404 HydrophobicContact CG-CG2 4.37Å; V338-I404 HydrophobicContact CG2-CB 4.39Å; V338-I404 HydrophobicContact CG2-CG2 3.6Å; V341-I404 HydrophobicContact CB-CD1 3.94Å; V341-I404 HydrophobicContact CG1-CD1 3.89Å; V341-I404 HydrophobicContact CG2-CD1 4.03Å; V400-I404 HydrophobicContact CG1-CD1 4.37Å; V400-I404 WeakPolarHBondContact O-CG1 3.27Å; V400-I404 PolarHBondContact O-N 3.25Å; K401-I404 PolarHBondContact O-N 3.42Å; I404-L462 HydrophobicContact CD1-CD2 4.17Å; I404-L462 HydrophobicContact CG1-CD2 3.52Å; I404-V465 HydrophobicContact CD1-CG1 4.04Å |
| 405 | L | 95.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.2 | 177.4 | 67 | 0 | 0 | 0 | 112.7 | M309 W312 A313 I316 F319 L330 L331 K401 A402 M403 | M309-L405 HydrophobicContact CE-CD1 4.32Å; W312-L405 HydrophobicContact CH2-CB 4.15Å; W312-L405 HydrophobicContact CH2-CD2 4.29Å; W312-L405 HydrophobicContact CZ3-CB 4.19Å; W312-L405 HydrophobicContact CZ3-CD2 3.91Å; W312-L405 HydrophobicContact CZ3-CG 4.48Å; A313-L405 HydrophobicContact CB-CD2 3.76Å; I316-L405 HydrophobicContact CD1-CD2 3.59Å; F319-L405 HydrophobicContact CD2-CD2 3.86Å; F319-L405 HydrophobicContact CD2-CG 4.43Å; F319-L405 HydrophobicContact CE2-CD1 4.04Å; F319-L405 HydrophobicContact CE2-CD2 3.81Å; F319-L405 HydrophobicContact CE2-CG 4.05Å; L330-L405 HydrophobicContact CB-CD1 4.35Å; L330-L405 WeakPolarHBondContact CD2-O 3.49Å; L331-L405 HydrophobicContact CD2-CD1 3.97Å; L331-L405 HydrophobicContact CG-CD1 4.44Å; K401-L405 PolarHBondContact O-N 3.32Å; A402-L405 PolarHBondContact O-N 2.88Å; M403-L405 VanDerWaalsContact C-N 3.3Å; M403-L405 PolarHBondContact O-N 3.34Å |
| 406 | L | 93.1 | Very high | 77.2 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -90.5 | -25.7 | -172.3 | -61.6 | 171.2 | 0 | 0 | 0 | 113.3 | A402 M403 S408 L426 L429 L430 V433 | A402-L406 WeakPolarHBondContact O-CG 3.08Å; A402-L406 PolarHBondContact O-N 3.28Å; M403-L406 PolarHBondContact O-N 2.65Å; L406-S408 PolarHBondContact O-N 2.88Å; L406-S408 VanDerWaalsContact O-N 3.09Å; L406-L426 HydrophobicContact CB-CD1 4.21Å; L406-L426 HydrophobicContact CD2-CD1 3.83Å; L406-L429 HydrophobicContact CD1-CB 3.84Å; L406-L429 HydrophobicContact CD2-CB 3.99Å; L406-L429 HydrophobicContact CD2-CD1 3.83Å; L406-L429 HydrophobicContact CG-CB 4.5Å; L406-L430 HydrophobicContact CB-CB 4.33Å; L406-L430 HydrophobicContact CB-CD1 4.11Å; L406-V433 HydrophobicContact CD1-CB 4.44Å; L406-V433 HydrophobicContact CD1-CG2 3.73Å |
| 407 | N | 83.6 | Confident | 75.1 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | -85.8 | 42.9 | -179.2 | -169.7 | 45.7 | 0 | 0 | 0 | 111.9 | M403 L430 | M403-N407 WeakPolarHBondContact O-CA 3.34Å; M403-N407 WeakPolarHBondContact O-CB 3.34Å; M403-N407 PolarHBondContact O-N 2.82Å; N407-L430 HydrophobicContact CB-CD1 4.1Å; N407-L430 HydrophobicContact CB-CD2 4.37Å | ||
| 408 | S | 70.2 | Confident | 72.9 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | trans | -81.2 | 133 | 169 | -172.3 | 0 | 0 | 0 | 0 | 110 | S333 L406 M410 | S333-S408 WeakPolarHBondContact CB-OG 3.49Å; S333-S408 WeakPolarHBondContact OG-CB 3.46Å; S333-S408 PolarHBondContact OG-OG 3.46Å; L406-S408 PolarHBondContact O-N 2.88Å; L406-S408 VanDerWaalsContact O-N 3.09Å; S408-M410 PolarHBondContact O-N 3Å; S408-M410 VanDerWaalsContact OG-CE 3.25Å; S408-M410 WeakPolarHBondContact OG-CE 3.39Å | ||
| 409 | N | 61 | Low | 71.1 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | trans | -66.9 | 88.5 | 165.2 | -76.6 | -22.3 | 0 | 0 | 0 | 109 | Y411 | N409-Y411 HydrophobicContact CB-CD2 4.33Å; N409-Y411 HydrophobicContact CB-CE2 3.97Å; N409-Y411 VanDerWaalsContact O-CD2 3.23Å; N409-Y411 WeakPolarHBondContact O-CD2 3.25Å; N409-Y411 PolarHBondContact O-N 3.11Å | ||
| 410 | M | 56.3 | Low | 69.7 | Low | 51 Ų | 51 | 63.4 Ų | 63.4 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | trans | -64.7 | 84 | 169 | -79.4 | -60.5 | 107.9 | 0 | 0 | 109.9 | R329 L330 S408 P412 L426 | R329-M410 HydrophobicContact CB-CE 3.98Å; R329-M410 HydrophobicContact CB-SD 4.12Å; L330-M410 HydrophobicContact CD2-CE 4Å; L330-M410 HydrophobicContact CG-CE 4.39Å; S408-M410 PolarHBondContact O-N 3Å; S408-M410 VanDerWaalsContact OG-CE 3.25Å; S408-M410 WeakPolarHBondContact OG-CE 3.39Å; M410-P412 VanDerWaalsContact O-CD 3.3Å; M410-P412 WeakPolarHBondContact O-CD 3.32Å; M410-P412 VanDerWaalsContact O-N 3.15Å; M410-L426 HydrophobicContact CG-CD2 3.83Å | ||
| 411 | Y | 49.3 | Very low | 68.6 | Low | 175 Ų | 175 | 67.1 Ų | 67.1 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | trans | -57.7 | 116.5 | 167.6 | -73.7 | -87.2 | 0 | 0 | 0 | 108.4 | R329 N409 L413 | R329-Y411 PolarHBondContact NH1-O 2.83Å; N409-Y411 HydrophobicContact CB-CD2 4.33Å; N409-Y411 HydrophobicContact CB-CE2 3.97Å; N409-Y411 VanDerWaalsContact O-CD2 3.23Å; N409-Y411 WeakPolarHBondContact O-CD2 3.25Å; N409-Y411 PolarHBondContact O-N 3.11Å; Y411-L413 PolarHBondContact O-N 3.13Å; Y411-L413 VanDerWaalsContact O-N 3.1Å | ||
| 412 | P | 46.7 | Very low | 67.6 | Low | 109 Ų | 109 | 67.9 Ų | 67.9 | 71% | 0.708 | 38% | 0.384 | S | S | * | . | trans | -74.2 | 105.6 | -172.4 | 28.5 | -33.4 | 0 | 0 | 0 | 109.5 | M410 V414 | M410-P412 VanDerWaalsContact O-CD 3.3Å; M410-P412 WeakPolarHBondContact O-CD 3.32Å; M410-P412 VanDerWaalsContact O-N 3.15Å; P412-V414 VanDerWaalsContact C-N 3.35Å; P412-V414 PolarHBondContact O-N 2.65Å | ||
| 413 | L | 45.2 | Very low | 66.9 | Low | 112 Ų | 112 | 71.6 Ų | 71.6 | 59% | 0.586 | 41% | 0.41 | S | S | * | . | trans | -98.4 | 63.1 | 178.9 | -164.9 | 72.2 | 0 | 0 | 0 | 110.5 | Y411 | Y411-L413 PolarHBondContact O-N 3.13Å; Y411-L413 VanDerWaalsContact O-N 3.1Å | ||
| 414 | V | 46.6 | Very low | 66.3 | Low | 120 Ų | 120 | 76.8 Ų | 76.8 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 59.1 | 80.1 | 160.6 | -165.7 | 0 | 0 | 0 | 0 | 115.9 | P412 | P412-V414 VanDerWaalsContact C-N 3.35Å; P412-V414 PolarHBondContact O-N 2.65Å |
| 415 | T | 43.6 | Very low | 65.9 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | -162.6 | 96.4 | 124 | 10.4 | 0 | 0 | 0 | 0 | 112.4 | T417 Q418 D419 | T415-T417 PolarHBondContact O-N 3.15Å; T415-Q418 PolarHBondContact O-N 2.82Å; T415-D419 PolarHBondContact N-OD2 3.16Å; T415-D419 PolarHBondContact O-N 3.34Å | |||
| 416 | A | 53.3 | Low | 65.6 | Low | 81 Ų | 81 | 81.3 Ų | 81.3 | 67% | 0.669 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 6.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 417 | T | 53 | Low | 65.4 | Low | 117 Ų | 117 | 83.3 Ų | 83.3 | 72% | 0.718 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -33 | 178.2 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | T415 | T415-T417 PolarHBondContact O-N 3.15Š|
| 418 | Q | 52.3 | Low | 65.7 | Low | 153 Ų | 153 | 84.8 Ų | 84.8 | 72% | 0.715 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -39.4 | 169.5 | -76.5 | -174.8 | -22.7 | 0 | 0 | 111 | T415 A420 D421 S422 | T415-Q418 PolarHBondContact O-N 2.82Å; Q418-A420 PolarHBondContact O-N 3.07Å; Q418-D421 PolarHBondContact O-N 3.15Å; Q418-D421 VanDerWaalsContact O-N 3.13Å; Q418-S422 PolarHBondContact O-N 2.93Å |
| 419 | D | 59.9 | Low | 66.8 | Low | 53 Ų | 53 | 84.4 Ų | 84.4 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -48.8 | -38.6 | 177.4 | -66.8 | -19.3 | 0 | 0 | 0 | 112.6 | T415 S423 | T415-D419 PolarHBondContact N-OD2 3.16Å; T415-D419 PolarHBondContact O-N 3.34Å; D419-S423 WeakPolarHBondContact O-CB 3.42Å; D419-S423 PolarHBondContact O-N 3.42Å |
| 420 | A | 68.2 | Low | 68.4 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.2 | -35.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q418 R424 | Q418-A420 PolarHBondContact O-N 3.07Å; A420-R424 WeakPolarHBondContact O-CB 3.14Å; A420-R424 PolarHBondContact O-N 3.11Å; A420-R424 VanDerWaalsContact O-N 3.11Å |
| 421 | D | 75.1 | Confident | 70.1 | Confident | 82 Ų | 82 | 82.5 Ų | 82.5 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.3 | -39 | 177.8 | -79.1 | -27.6 | 0 | 0 | 0 | 111.1 | Q418 R424 K425 | Q418-D421 PolarHBondContact O-N 3.15Å; Q418-D421 VanDerWaalsContact O-N 3.13Å; D421-R424 PolarHBondContact O-N 2.97Å; D421-R424 IonicContact OD1-CZ 3.96Å; D421-R424 IonicContact OD1-NH1 2.71Å; D421-R424 PolarHBondContact OD1-NH1 3.07Å; D421-R424 IonicContact OD1-NH2 2.73Å; D421-R424 PolarHBondContact OD1-NH2 3.32Å; D421-K425 WeakPolarHBondContact O-CG 3.45Å; D421-K425 PolarHBondContact O-N 3.37Å |
| 422 | S | 77.2 | Confident | 72.3 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 171.6 | -84 | 0 | 0 | 0 | 0 | 112.3 | D326 Q418 R424 K425 L426 | D326-S422 VanDerWaalsContact OD2-CB 3.28Å; D326-S422 WeakPolarHBondContact OD2-CB 3.5Å; D326-S422 PolarHBondContact OD2-OG 3.26Å; Q418-S422 PolarHBondContact O-N 2.93Å; S422-R424 PolarHBondContact O-N 3.41Å; S422-K425 PolarHBondContact O-N 3.05Å; S422-L426 WeakPolarHBondContact O-CB 3.37Å; S422-L426 PolarHBondContact O-N 3.17Å |
| 423 | S | 81.8 | Confident | 74.7 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | D419 L426 A427 | D419-S423 WeakPolarHBondContact O-CB 3.42Å; D419-S423 PolarHBondContact O-N 3.42Å; S423-L426 PolarHBondContact O-N 3.29Å; S423-A427 WeakPolarHBondContact O-CB 3.3Å; S423-A427 PolarHBondContact O-N 2.88Å |
| 424 | R | 84.6 | Confident | 77.1 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.8 | -176.9 | 177.2 | 69.4 | -103.4 | -3.5 | 111.5 | A420 D421 S422 A427 H428 | A420-R424 WeakPolarHBondContact O-CB 3.14Å; A420-R424 PolarHBondContact O-N 3.11Å; A420-R424 VanDerWaalsContact O-N 3.11Å; D421-R424 PolarHBondContact O-N 2.97Å; D421-R424 IonicContact OD1-CZ 3.96Å; D421-R424 IonicContact OD1-NH1 2.71Å; D421-R424 PolarHBondContact OD1-NH1 3.07Å; D421-R424 IonicContact OD1-NH2 2.73Å; D421-R424 PolarHBondContact OD1-NH2 3.32Å; S422-R424 PolarHBondContact O-N 3.41Å; R424-A427 PolarHBondContact O-N 2.78Å; R424-H428 WeakPolarHBondContact CG-NE2 3.32Å; R424-H428 PolarHBondContact O-CD2 3.32Å; R424-H428 PolarHBondContact O-N 2.74Å |
| 425 | K | 87.3 | Confident | 79.4 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 176.6 | -78.3 | 178.4 | 168.6 | -171.4 | 0 | 111.6 | E321 L322 D421 S422 A427 H428 L429 | E321-K425 PolarHBondContact O-NZ 3.33Å; L322-K425 HydrophobicContact CD2-CB 3.78Å; D421-K425 WeakPolarHBondContact O-CG 3.45Å; D421-K425 PolarHBondContact O-N 3.37Å; S422-K425 PolarHBondContact O-N 3.05Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-A427 PolarHBondContact O-N 2.88Å; K425-H428 WeakPolarHBondContact O-CA 3.23Å; K425-H428 WeakPolarHBondContact O-CB 3.3Å; K425-H428 PolarHBondContact O-N 2.75Å; K425-L429 WeakPolarHBondContact O-CG 3.35Å; K425-L429 PolarHBondContact O-N 2.73Å |
| 426 | L | 89.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 178.9 | -177.5 | 60.3 | 0 | 0 | 0 | 112 | L322 L330 L406 M410 S422 S423 L429 L430 | L322-L426 HydrophobicContact CD1-CD1 4.36Å; L330-L426 HydrophobicContact CD1-CD1 3.96Å; L330-L426 HydrophobicContact CD2-CD1 4.01Å; L330-L426 HydrophobicContact CD2-CD2 3.97Å; L406-L426 HydrophobicContact CB-CD1 4.21Å; L406-L426 HydrophobicContact CD2-CD1 3.83Å; M410-L426 HydrophobicContact CG-CD2 3.83Å; S422-L426 WeakPolarHBondContact O-CB 3.37Å; S422-L426 PolarHBondContact O-N 3.17Å; S423-L426 PolarHBondContact O-N 3.29Å; L426-L429 PolarHBondContact O-N 2.89Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 PolarHBondContact O-N 2.7Å |
| 427 | A | 89.3 | Confident | 84 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S423 R424 K425 L430 N431 | S423-A427 WeakPolarHBondContact O-CB 3.3Å; S423-A427 PolarHBondContact O-N 2.88Å; R424-A427 PolarHBondContact O-N 2.78Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-A427 PolarHBondContact O-N 2.88Å; A427-L430 PolarHBondContact O-N 2.75Å; A427-N431 VanDerWaalsContact O-CB 3.32Å; A427-N431 WeakPolarHBondContact O-CB 3.29Å; A427-N431 PolarHBondContact O-N 3.07Å; A427-N431 PolarHBondContact O-ND2 3.19Å |
| 428 | H | 90.3 | Very high | 86.1 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 172.4 | -72.4 | -69.1 | 0 | 0 | 0 | 112.3 | R424 K425 N431 A432 | R424-H428 WeakPolarHBondContact CG-NE2 3.32Å; R424-H428 PolarHBondContact O-CD2 3.32Å; R424-H428 PolarHBondContact O-N 2.74Å; K425-H428 WeakPolarHBondContact O-CA 3.23Å; K425-H428 WeakPolarHBondContact O-CB 3.3Å; K425-H428 PolarHBondContact O-N 2.75Å; H428-N431 PolarHBondContact O-N 2.82Å; H428-A432 WeakPolarHBondContact O-CB 3.46Å; H428-A432 PolarHBondContact O-N 3.43Å |
| 429 | L | 92.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -48 | 175.1 | -56.1 | -175.4 | 0 | 0 | 0 | 111.5 | L260 L322 L406 K425 L426 N431 A432 V433 | L260-L429 HydrophobicContact CD1-CD2 3.52Å; L260-L429 HydrophobicContact CD2-CD2 3.57Å; L260-L429 HydrophobicContact CG-CD2 4.2Å; L322-L429 HydrophobicContact CD1-CD1 3.88Å; L322-L429 HydrophobicContact CD2-CD1 4.02Å; L322-L429 HydrophobicContact CG-CD1 4.01Å; L406-L429 HydrophobicContact CD1-CB 3.84Å; L406-L429 HydrophobicContact CD2-CB 3.99Å; L406-L429 HydrophobicContact CD2-CD1 3.83Å; L406-L429 HydrophobicContact CG-CB 4.5Å; K425-L429 WeakPolarHBondContact O-CG 3.35Å; K425-L429 PolarHBondContact O-N 2.73Å; L426-L429 PolarHBondContact O-N 2.89Å; L429-N431 VanDerWaalsContact C-N 3.33Å; L429-N431 PolarHBondContact O-N 3.07Å; L429-A432 PolarHBondContact O-N 3.34Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3.05Å |
| 430 | L | 93.5 | Very high | 90 | Very high | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | -179.8 | -176.9 | 60.5 | 0 | 0 | 0 | 111.7 | M403 L406 N407 L426 A427 T434 | M403-L430 HydrophobicContact CB-CD1 4.34Å; M403-L430 HydrophobicContact CE-CD1 3.98Å; M403-L430 HydrophobicContact CG-CD1 4.24Å; L406-L430 HydrophobicContact CB-CB 4.33Å; L406-L430 HydrophobicContact CB-CD1 4.11Å; N407-L430 HydrophobicContact CB-CD1 4.1Å; N407-L430 HydrophobicContact CB-CD2 4.37Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 PolarHBondContact O-N 2.7Å; A427-L430 PolarHBondContact O-N 2.75Å; L430-T434 WeakPolarHBondContact O-CB 3.17Å; L430-T434 PolarHBondContact O-N 2.93Å; L430-T434 PolarHBondContact O-OG1 3.33Å |
| 431 | N | 93.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 172.8 | -71.2 | -21 | 0 | 0 | 0 | 111.3 | A427 H428 L429 V433 T434 D435 | A427-N431 VanDerWaalsContact O-CB 3.32Å; A427-N431 WeakPolarHBondContact O-CB 3.29Å; A427-N431 PolarHBondContact O-N 3.07Å; A427-N431 PolarHBondContact O-ND2 3.19Å; H428-N431 PolarHBondContact O-N 2.82Å; L429-N431 VanDerWaalsContact C-N 3.33Å; L429-N431 PolarHBondContact O-N 3.07Å; N431-V433 VanDerWaalsContact C-N 3.33Å; N431-V433 PolarHBondContact O-N 3.08Å; N431-T434 CarbonylContact O-C 3.57Å; N431-T434 WeakPolarHBondContact O-CA 3.43Å; N431-T434 WeakPolarHBondContact O-CB 3.35Å; N431-T434 PolarHBondContact O-N 2.61Å; N431-D435 PolarHBondContact O-N 2.73Å |
| 432 | A | 94.9 | Very high | 92.3 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L268 H428 L429 A436 | L268-A432 HydrophobicContact CD2-CB 4.1Å; H428-A432 WeakPolarHBondContact O-CB 3.46Å; H428-A432 PolarHBondContact O-N 3.43Å; L429-A432 PolarHBondContact O-N 3.34Å; A432-A436 WeakPolarHBondContact O-CB 3.16Å; A432-A436 PolarHBondContact O-N 3.18Å |
| 433 | V | 96.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.9 | -32.4 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | L268 C399 A402 M403 L406 L429 N431 A436 L437 | L268-V433 HydrophobicContact CD2-CG2 4.22Å; C399-V433 HydrophobicContact CB-CG1 4.3Å; C399-V433 WeakPolarHBondContact O-CG1 3.42Å; A402-V433 HydrophobicContact CB-CG1 3.83Å; A402-V433 HydrophobicContact CB-CG2 4.26Å; M403-V433 HydrophobicContact CG-CB 4.41Å; M403-V433 HydrophobicContact CG-CG1 3.6Å; L406-V433 HydrophobicContact CD1-CB 4.44Å; L406-V433 HydrophobicContact CD1-CG2 3.73Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3.05Å; N431-V433 VanDerWaalsContact C-N 3.33Å; N431-V433 PolarHBondContact O-N 3.08Å; V433-A436 WeakPolarHBondContact O-CB 3.45Å; V433-A436 PolarHBondContact O-N 3.19Å; V433-L437 PolarHBondContact O-N 3.5Å |
| 434 | T | 95.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 174 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | M403 L430 N431 A436 L437 V438 | M403-T434 WeakPolarHBondContact CE-OG1 3.35Å; L430-T434 WeakPolarHBondContact O-CB 3.17Å; L430-T434 PolarHBondContact O-N 2.93Å; L430-T434 PolarHBondContact O-OG1 3.33Å; N431-T434 CarbonylContact O-C 3.57Å; N431-T434 WeakPolarHBondContact O-CA 3.43Å; N431-T434 WeakPolarHBondContact O-CB 3.35Å; N431-T434 PolarHBondContact O-N 2.61Å; T434-A436 VanDerWaalsContact C-N 3.33Å; T434-A436 PolarHBondContact O-N 3.41Å; T434-L437 WeakPolarHBondContact O-CB 3.33Å; T434-L437 PolarHBondContact O-N 3.43Å; T434-L437 VanDerWaalsContact O-N 3.16Å; T434-V438 WeakPolarHBondContact O-CG2 3.32Å; T434-V438 PolarHBondContact O-N 3.32Å |
| 435 | D | 95.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 175.4 | -70.4 | -31.9 | 0 | 0 | 0 | 111.4 | N431 V438 W439 | N431-D435 PolarHBondContact O-N 2.73Å; D435-V438 PolarHBondContact O-N 2.7Å; D435-W439 VanDerWaalsContact O-CB 3.28Å; D435-W439 WeakPolarHBondContact O-CB 3.46Å; D435-W439 PolarHBondContact O-N 2.9Å |
| 436 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L268 V269 A432 V433 T434 W439 V440 | L268-A436 HydrophobicContact CD2-CB 4.1Å; L268-A436 HydrophobicContact CG-CB 4.46Å; V269-A436 HydrophobicContact CG2-CB 3.92Å; A432-A436 WeakPolarHBondContact O-CB 3.16Å; A432-A436 PolarHBondContact O-N 3.18Å; V433-A436 WeakPolarHBondContact O-CB 3.45Å; V433-A436 PolarHBondContact O-N 3.19Å; T434-A436 VanDerWaalsContact C-N 3.33Å; T434-A436 PolarHBondContact O-N 3.41Å; A436-W439 PolarHBondContact O-N 3.39Å; A436-V440 WeakPolarHBondContact O-CG2 3.24Å; A436-V440 PolarHBondContact O-N 2.98Å |
| 437 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.5 | -179 | 56 | 0 | 0 | 0 | 111.7 | E396 C399 V400 M403 V433 T434 W439 V440 I441 L455 L458 | E396-L437 HydrophobicContact CB-CD1 4.04Å; E396-L437 HydrophobicContact CG-CD1 4.18Å; C399-L437 HydrophobicContact CB-CB 3.85Å; C399-L437 HydrophobicContact CB-CD1 4.01Å; C399-L437 HydrophobicContact CB-CG 4.39Å; V400-L437 HydrophobicContact CG2-CD2 4.39Å; M403-L437 HydrophobicContact SD-CD2 3.93Å; V433-L437 PolarHBondContact O-N 3.5Å; T434-L437 WeakPolarHBondContact O-CB 3.33Å; T434-L437 PolarHBondContact O-N 3.43Å; T434-L437 VanDerWaalsContact O-N 3.16Å; L437-W439 VanDerWaalsContact C-N 3.3Å; L437-W439 PolarHBondContact O-N 2.91Å; L437-V440 PolarHBondContact O-N 3.49Å; L437-I441 HydrophobicContact CD1-CD1 4.04Å; L437-I441 HydrophobicContact CD1-CG1 4.3Å; L437-I441 HydrophobicContact CG-CD1 3.89Å; L437-I441 VanDerWaalsContact O-CG1 3.25Å; L437-I441 WeakPolarHBondContact O-CG1 3.48Å; L437-I441 PolarHBondContact O-N 3.14Å; L437-L455 HydrophobicContact CD2-CD1 3.77Å; L437-L455 HydrophobicContact CG-CD1 4.05Å; L437-L458 HydrophobicContact CD1-CD1 3.99Å |
| 438 | V | 96.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | T434 D435 I441 A442 L455 | T434-V438 WeakPolarHBondContact O-CG2 3.32Å; T434-V438 PolarHBondContact O-N 3.32Å; D435-V438 PolarHBondContact O-N 2.7Å; V438-I441 PolarHBondContact O-N 3.09Å; V438-A442 WeakPolarHBondContact O-CB 3.41Å; V438-A442 PolarHBondContact O-N 2.87Å; V438-L455 HydrophobicContact CG2-CD1 4.2Å; V438-L455 HydrophobicContact CG2-CD2 3.95Å |
| 439 | W | 96.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 21% | 0.205 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.7 | 178.7 | 97.1 | 0 | 0 | 0 | 112.5 | P265 E266 D435 A436 L437 A442 K443 | P265-W439 HydrophobicContact CB-CB 3.69Å; P265-W439 HydrophobicContact CB-CD2 4.24Å; P265-W439 HydrophobicContact CB-CG 3.69Å; E266-W439 HydrophobicContact CB-CH2 3.65Å; E266-W439 HydrophobicContact CB-CZ2 3.41Å; E266-W439 VanDerWaalsContact CB-CZ2 3.41Å; E266-W439 HydrophobicContact CB-CZ3 4.36Å; E266-W439 VanDerWaalsContact CD-CH2 3.45Å; E266-W439 HydrophobicContact CG-CH2 3.49Å; E266-W439 VanDerWaalsContact CG-CH2 3.49Å; E266-W439 HydrophobicContact CG-CZ2 3.57Å; E266-W439 HydrophobicContact CG-CZ3 4.43Å; E266-W439 WeakPolarHBondContact OE1-CH2 3.45Å; E266-W439 WeakPolarHBondContact OE1-CZ2 3.08Å; E266-W439 WeakPolarHBondContact OE2-CZ2 3.44Å; D435-W439 VanDerWaalsContact O-CB 3.28Å; D435-W439 WeakPolarHBondContact O-CB 3.46Å; D435-W439 PolarHBondContact O-N 2.9Å; A436-W439 PolarHBondContact O-N 3.39Å; L437-W439 VanDerWaalsContact C-N 3.3Å; L437-W439 PolarHBondContact O-N 2.91Å; W439-A442 PolarHBondContact O-N 3.33Å; W439-K443 HydrophobicContact CD2-CG 4.08Å; W439-K443 HydrophobicContact CE3-CG 4.28Å; W439-K443 HydrophobicContact CH2-CG 4.11Å; W439-K443 HydrophobicContact CZ2-CD 4.18Å; W439-K443 HydrophobicContact CZ2-CG 3.93Å; W439-K443 HydrophobicContact CZ3-CG 4.29Å; W439-K443 WeakPolarHBondContact O-CB 3.33Å; W439-K443 VanDerWaalsContact O-CG 3.28Å; W439-K443 WeakPolarHBondContact O-CG 3.09Å; W439-K443 PolarHBondContact O-N 3.38Å |
| 440 | V | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V269 K395 E396 A436 L437 A442 K443 S444 | V269-V440 HydrophobicContact CG1-CG2 4.29Å; V269-V440 HydrophobicContact CG2-CG2 3.79Å; K395-V440 HydrophobicContact CB-CG1 3.72Å; K395-V440 HydrophobicContact CB-CG2 3.93Å; E396-V440 HydrophobicContact CG-CG1 3.57Å; A436-V440 WeakPolarHBondContact O-CG2 3.24Å; A436-V440 PolarHBondContact O-N 2.98Å; L437-V440 PolarHBondContact O-N 3.49Å; V440-A442 PolarHBondContact O-N 3.24Å; V440-K443 PolarHBondContact O-N 3.49Å; V440-S444 PolarHBondContact O-N 3.18Å; V440-S444 PolarHBondContact O-OG 3.21Å |
| 441 | I | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.3 | -67.4 | 165.4 | 0 | 0 | 0 | 110.7 | L437 V438 S444 I446 Q451 R454 L455 L458 | L437-I441 HydrophobicContact CD1-CD1 4.04Å; L437-I441 HydrophobicContact CD1-CG1 4.3Å; L437-I441 HydrophobicContact CG-CD1 3.89Å; L437-I441 VanDerWaalsContact O-CG1 3.25Å; L437-I441 WeakPolarHBondContact O-CG1 3.48Å; L437-I441 PolarHBondContact O-N 3.14Å; V438-I441 PolarHBondContact O-N 3.09Å; I441-S444 WeakPolarHBondContact O-CB 3.29Å; I441-S444 PolarHBondContact O-N 2.73Å; I441-S444 VanDerWaalsContact O-N 3.17Å; I441-I446 HydrophobicContact CG2-CD1 4.12Å; I441-Q451 HydrophobicContact CG2-CB 3.79Å; I441-Q451 HydrophobicContact CG2-CG 3.99Å; I441-R454 HydrophobicContact CG1-CG 4.47Å; I441-R454 HydrophobicContact CG2-CB 4.16Å; I441-R454 HydrophobicContact CG2-CG 4.46Å; I441-L455 HydrophobicContact CD1-CB 3.91Å; I441-L455 HydrophobicContact CD1-CD1 3.99Å; I441-L458 HydrophobicContact CD1-CD1 4.05Å; I441-L458 HydrophobicContact CG1-CD1 4.33Å |
| 442 | A | 95.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V438 W439 V440 S444 G445 | V438-A442 WeakPolarHBondContact O-CB 3.41Å; V438-A442 PolarHBondContact O-N 2.87Å; W439-A442 PolarHBondContact O-N 3.33Å; V440-A442 PolarHBondContact O-N 3.24Å; A442-S444 PolarHBondContact O-N 3.47Å; A442-G445 PolarHBondContact O-N 2.97Å |
| 443 | K | 94.1 | Very high | 94.8 | Very high | 136 Ų | 136 | 58.3 Ų | 58.3 | 59% | 0.591 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.2 | -14.7 | 174.1 | -73.7 | -73.2 | -170.6 | 165.4 | 0 | 113.9 | W439 V440 G445 | W439-K443 HydrophobicContact CD2-CG 4.08Å; W439-K443 HydrophobicContact CE3-CG 4.28Å; W439-K443 HydrophobicContact CH2-CG 4.11Å; W439-K443 HydrophobicContact CZ2-CD 4.18Å; W439-K443 HydrophobicContact CZ2-CG 3.93Å; W439-K443 HydrophobicContact CZ3-CG 4.29Å; W439-K443 WeakPolarHBondContact O-CB 3.33Å; W439-K443 VanDerWaalsContact O-CG 3.28Å; W439-K443 WeakPolarHBondContact O-CG 3.09Å; W439-K443 PolarHBondContact O-N 3.38Å; V440-K443 PolarHBondContact O-N 3.49Å; K443-G445 PolarHBondContact O-N 3.44Å |
| 444 | S | 89.8 | Confident | 94.8 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 1.3 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 114.3 | Q393 V440 I441 A442 I446 | Q393-S444 PolarHBondContact NE2-OG 2.89Å; V440-S444 PolarHBondContact O-N 3.18Å; V440-S444 PolarHBondContact O-OG 3.21Å; I441-S444 WeakPolarHBondContact O-CB 3.29Å; I441-S444 PolarHBondContact O-N 2.73Å; I441-S444 VanDerWaalsContact O-N 3.17Å; A442-S444 PolarHBondContact O-N 3.47Å; S444-I446 PolarHBondContact O-N 3.26Å |
| 445 | G | 89.1 | Confident | 94.9 | Very high | 72 Ų | 72 | 60.7 Ų | 60.7 | 74% | 0.742 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 4.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | A442 K443 | A442-G445 PolarHBondContact O-N 2.97Å; K443-G445 PolarHBondContact O-N 3.44Å |
| 446 | I | 93.3 | Very high | 95 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | trans | -78.8 | 154.1 | 178.3 | 63 | 176.9 | 0 | 0 | 0 | 111.9 | I441 S444 Q450 Q451 R454 | I441-I446 HydrophobicContact CG2-CD1 4.12Å; S444-I446 PolarHBondContact O-N 3.26Å; I446-Q450 HydrophobicContact CB-CB 4.04Å; I446-Q450 HydrophobicContact CD1-CB 4.08Å; I446-Q450 HydrophobicContact CG1-CB 4.27Å; I446-Q451 HydrophobicContact CD1-CG 4.29Å; I446-Q451 HydrophobicContact CG1-CG 3.76Å; I446-Q451 PolarHBondContact O-NE2 2.96Å; I446-R454 HydrophobicContact CD1-CB 4.09Å | ||
| 447 | S | 94.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | trans | -65.2 | 154.4 | -177.8 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | Q449 Q450 Q451 | S447-Q449 VanDerWaalsContact C-N 3.26Å; S447-Q449 PolarHBondContact O-N 3.38Å; S447-Q449 VanDerWaalsContact O-N 3.13Å; S447-Q450 CarbonylContact O-C 3.52Å; S447-Q450 WeakPolarHBondContact O-CA 3.39Å; S447-Q450 WeakPolarHBondContact O-CB 3.46Å; S447-Q450 PolarHBondContact O-N 3.39Å; S447-Q450 VanDerWaalsContact OG-CD 3.27Å; S447-Q450 WeakPolarHBondContact OG-CG 3.47Å; S447-Q450 PolarHBondContact OG-OE1 2.91Å; S447-Q451 WeakPolarHBondContact O-CG 3.45Å; S447-Q451 PolarHBondContact O-N 2.93Å | ||
| 448 | S | 91.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -52.1 | -38.6 | -176.9 | 177.5 | 0 | 0 | 0 | 0 | 114.1 | Q451 S452 | S448-Q451 WeakPolarHBondContact O-CB 3.39Å; S448-Q451 PolarHBondContact O-N 3.12Å; S448-S452 PolarHBondContact O-N 3.44Å |
| 449 | Q | 92 | Very high | 94.9 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -37.6 | 174.1 | -176 | 177.5 | -4.4 | 0 | 0 | 112.6 | S447 S452 M453 | S447-Q449 VanDerWaalsContact C-N 3.26Å; S447-Q449 PolarHBondContact O-N 3.38Å; S447-Q449 VanDerWaalsContact O-N 3.13Å; Q449-S452 PolarHBondContact O-OG 2.93Å; Q449-S452 VanDerWaalsContact O-OG 3.08Å; Q449-M453 HydrophobicContact CG-SD 4.47Å; Q449-M453 VanDerWaalsContact O-CG 3.32Å; Q449-M453 WeakPolarHBondContact O-CG 3.22Å; Q449-M453 PolarHBondContact O-N 3.01Å |
| 450 | Q | 94.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 63 Ų | 63 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.2 | -29.4 | 174.5 | -67 | 165.4 | -48 | 0 | 0 | 111.9 | I446 S447 M453 R454 | I446-Q450 HydrophobicContact CB-CB 4.04Å; I446-Q450 HydrophobicContact CD1-CB 4.08Å; I446-Q450 HydrophobicContact CG1-CB 4.27Å; S447-Q450 CarbonylContact O-C 3.52Å; S447-Q450 WeakPolarHBondContact O-CA 3.39Å; S447-Q450 WeakPolarHBondContact O-CB 3.46Å; S447-Q450 PolarHBondContact O-N 3.39Å; S447-Q450 VanDerWaalsContact OG-CD 3.27Å; S447-Q450 WeakPolarHBondContact OG-CG 3.47Å; S447-Q450 PolarHBondContact OG-OE1 2.91Å; Q450-M453 PolarHBondContact O-N 2.77Å; Q450-R454 VanDerWaalsContact O-CB 3.28Å; Q450-R454 WeakPolarHBondContact O-CB 3.45Å; Q450-R454 PolarHBondContact O-N 3.25Å |
| 451 | Q | 95.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -47.6 | 175.2 | -63.7 | 173.9 | 15.9 | 0 | 0 | 111.3 | I441 I446 S447 S448 R454 L455 | I441-Q451 HydrophobicContact CG2-CB 3.79Å; I441-Q451 HydrophobicContact CG2-CG 3.99Å; I446-Q451 HydrophobicContact CD1-CG 4.29Å; I446-Q451 HydrophobicContact CG1-CG 3.76Å; I446-Q451 PolarHBondContact O-NE2 2.96Å; S447-Q451 WeakPolarHBondContact O-CG 3.45Å; S447-Q451 PolarHBondContact O-N 2.93Å; S448-Q451 WeakPolarHBondContact O-CB 3.39Å; S448-Q451 PolarHBondContact O-N 3.12Å; Q451-R454 PolarHBondContact O-N 2.99Å; Q451-L455 WeakPolarHBondContact O-CB 3.49Å; Q451-L455 PolarHBondContact O-N 3.39Å |
| 452 | S | 94.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.5 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | S448 Q449 A456 | S448-S452 PolarHBondContact O-N 3.44Å; Q449-S452 PolarHBondContact O-OG 2.93Å; Q449-S452 VanDerWaalsContact O-OG 3.08Å; S452-A456 WeakPolarHBondContact O-CB 3.46Å; S452-A456 PolarHBondContact O-N 3.28Å |
| 453 | M | 95.8 | Very high | 94.6 | Very high | 106 Ų | 106 | 65.3 Ų | 65.3 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 171.4 | -70.3 | 178.2 | 72.1 | 0 | 0 | 112.5 | Q449 Q450 N457 | Q449-M453 HydrophobicContact CG-SD 4.47Å; Q449-M453 VanDerWaalsContact O-CG 3.32Å; Q449-M453 WeakPolarHBondContact O-CG 3.22Å; Q449-M453 PolarHBondContact O-N 3.01Å; Q450-M453 PolarHBondContact O-N 2.77Å; M453-N457 WeakPolarHBondContact O-CB 3.47Å; M453-N457 PolarHBondContact O-N 3.11Å; M453-N457 PolarHBondContact O-ND2 3.32Å |
| 454 | R | 97.2 | Very high | 94.6 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 177.4 | -171.1 | 165 | -178.5 | 90.5 | 1 | 111.1 | L390 K391 E396 I441 I446 Q450 Q451 A456 N457 L458 | L390-R454 PolarHBondContact O-NH1 3.44Å; L390-R454 PolarHBondContact O-NH2 2.99Å; K391-R454 PolarHBondContact O-NH2 3Å; E396-R454 IonicContact OE1-CZ 3.42Å; E396-R454 IonicContact OE1-NE 2.71Å; E396-R454 PolarHBondContact OE1-NE 2.65Å; E396-R454 IonicContact OE1-NH2 3.3Å; E396-R454 PolarHBondContact OE1-NH2 3.21Å; E396-R454 IonicContact OE2-CZ 3.59Å; E396-R454 IonicContact OE2-NE 3.67Å; E396-R454 IonicContact OE2-NH2 2.7Å; E396-R454 PolarHBondContact OE2-NH2 2.88Å; I441-R454 HydrophobicContact CG1-CG 4.47Å; I441-R454 HydrophobicContact CG2-CB 4.16Å; I441-R454 HydrophobicContact CG2-CG 4.46Å; I446-R454 HydrophobicContact CD1-CB 4.09Å; Q450-R454 VanDerWaalsContact O-CB 3.28Å; Q450-R454 WeakPolarHBondContact O-CB 3.45Å; Q450-R454 PolarHBondContact O-N 3.25Å; Q451-R454 PolarHBondContact O-N 2.99Å; R454-A456 PolarHBondContact O-N 2.88Å; R454-N457 PolarHBondContact O-N 3.22Å; R454-L458 HydrophobicContact CG-CD1 4.2Å; R454-L458 HydrophobicContact CG-CG 4.49Å; R454-L458 WeakPolarHBondContact O-CG 3.04Å; R454-L458 PolarHBondContact O-N 3Å |
| 455 | L | 97.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 173 | -178.7 | 67.1 | 0 | 0 | 0 | 111.1 | L437 V438 I441 Q451 N457 L458 L459 | L437-L455 HydrophobicContact CD2-CD1 3.77Å; L437-L455 HydrophobicContact CG-CD1 4.05Å; V438-L455 HydrophobicContact CG2-CD1 4.2Å; V438-L455 HydrophobicContact CG2-CD2 3.95Å; I441-L455 HydrophobicContact CD1-CB 3.91Å; I441-L455 HydrophobicContact CD1-CD1 3.99Å; Q451-L455 WeakPolarHBondContact O-CB 3.49Å; Q451-L455 PolarHBondContact O-N 3.39Å; L455-N457 VanDerWaalsContact C-N 3.35Å; L455-N457 PolarHBondContact O-N 3.35Å; L455-L458 PolarHBondContact O-N 3.42Å; L455-L458 VanDerWaalsContact O-N 3.15Å; L455-L459 HydrophobicContact CD1-CD1 4.31Å; L455-L459 HydrophobicContact CD1-CG 4.3Å; L455-L459 HydrophobicContact CG-CD1 4.09Å; L455-L459 HydrophobicContact CG-CG 4.42Å; L455-L459 WeakPolarHBondContact O-CG 3.35Å; L455-L459 PolarHBondContact O-N 3.45Å |
| 456 | A | 96.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S452 R454 L458 L459 M460 | S452-A456 WeakPolarHBondContact O-CB 3.46Å; S452-A456 PolarHBondContact O-N 3.28Å; R454-A456 PolarHBondContact O-N 2.88Å; A456-L458 VanDerWaalsContact C-N 3.33Å; A456-L458 PolarHBondContact O-N 3.24Å; A456-L459 PolarHBondContact O-N 3.1Å; A456-M460 WeakPolarHBondContact O-CG 3.48Å; A456-M460 PolarHBondContact O-N 2.89Å |
| 457 | N | 96.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 175.6 | -81 | -58.6 | 0 | 0 | 0 | 113.1 | L390 M453 R454 L455 M460 | L390-N457 HydrophobicContact CD1-CB 4.34Å; L390-N457 HydrophobicContact CD2-CB 3.86Å; M453-N457 WeakPolarHBondContact O-CB 3.47Å; M453-N457 PolarHBondContact O-N 3.11Å; M453-N457 PolarHBondContact O-ND2 3.32Å; R454-N457 PolarHBondContact O-N 3.22Å; L455-N457 VanDerWaalsContact C-N 3.35Å; L455-N457 PolarHBondContact O-N 3.35Å; N457-M460 WeakPolarHBondContact OD1-CE 3.49Å |
| 458 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.5 | -39.5 | 178 | -67 | 177.2 | 0 | 0 | 0 | 112.2 | L390 L392 E396 V400 L437 I441 R454 L455 A456 M460 L461 | L390-L458 HydrophobicContact CD1-CD2 4.45Å; L392-L458 HydrophobicContact CD1-CD2 3.44Å; L392-L458 VanDerWaalsContact CD1-CD2 3.44Å; E396-L458 HydrophobicContact CB-CD1 4.11Å; E396-L458 HydrophobicContact CG-CD1 4.2Å; V400-L458 HydrophobicContact CG2-CB 4.44Å; L437-L458 HydrophobicContact CD1-CD1 3.99Å; I441-L458 HydrophobicContact CD1-CD1 4.05Å; I441-L458 HydrophobicContact CG1-CD1 4.33Å; R454-L458 HydrophobicContact CG-CD1 4.2Å; R454-L458 HydrophobicContact CG-CG 4.49Å; R454-L458 WeakPolarHBondContact O-CG 3.04Å; R454-L458 PolarHBondContact O-N 3Å; L455-L458 PolarHBondContact O-N 3.42Å; L455-L458 VanDerWaalsContact O-N 3.15Å; A456-L458 VanDerWaalsContact C-N 3.33Å; A456-L458 PolarHBondContact O-N 3.24Å; L458-M460 VanDerWaalsContact C-N 3.28Å; L458-M460 PolarHBondContact O-N 2.99Å; L458-L461 HydrophobicContact CD2-CD1 3.87Å; L458-L461 VanDerWaalsContact O-CB 3.29Å; L458-L461 WeakPolarHBondContact O-CB 3.42Å; L458-L461 PolarHBondContact O-N 2.96Å |
| 459 | L | 95.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -32.3 | 173.2 | -64.2 | 178.5 | 0 | 0 | 0 | 112 | M403 L455 A456 L461 L462 | M403-L459 HydrophobicContact CE-CD2 3.6Å; M403-L459 HydrophobicContact SD-CD2 3.95Å; L455-L459 HydrophobicContact CD1-CD1 4.31Å; L455-L459 HydrophobicContact CD1-CG 4.3Å; L455-L459 HydrophobicContact CG-CD1 4.09Å; L455-L459 HydrophobicContact CG-CG 4.42Å; L455-L459 WeakPolarHBondContact O-CG 3.35Å; L455-L459 PolarHBondContact O-N 3.45Å; A456-L459 PolarHBondContact O-N 3.1Å; L459-L461 PolarHBondContact O-N 3.35Å; L459-L462 HydrophobicContact CD2-CD1 4.02Å; L459-L462 VanDerWaalsContact O-CB 3.3Å; L459-L462 WeakPolarHBondContact O-CB 3.45Å; L459-L462 WeakPolarHBondContact O-CG 3.11Å; L459-L462 PolarHBondContact O-N 3.24Å |
| 460 | M | 95.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 49% | 0.488 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.6 | -15 | 171.4 | -74.8 | -169.3 | -61.7 | 0 | 0 | 113.9 | A456 N457 L458 L462 S463 H464 | A456-M460 WeakPolarHBondContact O-CG 3.48Å; A456-M460 PolarHBondContact O-N 2.89Å; N457-M460 WeakPolarHBondContact OD1-CE 3.49Å; L458-M460 VanDerWaalsContact C-N 3.28Å; L458-M460 PolarHBondContact O-N 2.99Å; M460-L462 VanDerWaalsContact C-N 3.28Å; M460-S463 PolarHBondContact O-OG 2.79Å; M460-H464 PolarHBondContact O-ND1 3.35Å |
| 461 | L | 95.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -31.1 | 171.7 | -59 | 178.5 | 0 | 0 | 0 | 111.5 | R386 F387 L390 L458 L459 S463 H464 V465 | R386-L461 HydrophobicContact CB-CD2 4.47Å; R386-L461 HydrophobicContact CG-CD2 3.88Å; F387-L461 HydrophobicContact CD1-CD1 3.89Å; F387-L461 HydrophobicContact CD1-CD2 4.01Å; F387-L461 HydrophobicContact CD1-CG 4.5Å; F387-L461 HydrophobicContact CE1-CB 4.24Å; F387-L461 HydrophobicContact CE1-CD1 3.79Å; F387-L461 HydrophobicContact CE1-CD2 3.94Å; F387-L461 HydrophobicContact CE1-CG 4.2Å; L390-L461 HydrophobicContact CD1-CD1 4.1Å; L390-L461 HydrophobicContact CD1-CD2 3.86Å; L390-L461 HydrophobicContact CD1-CG 4.21Å; L458-L461 HydrophobicContact CD2-CD1 3.87Å; L458-L461 VanDerWaalsContact O-CB 3.29Å; L458-L461 WeakPolarHBondContact O-CB 3.42Å; L458-L461 PolarHBondContact O-N 2.96Å; L459-L461 PolarHBondContact O-N 3.35Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 3.3Å; L461-H464 PolarHBondContact O-N 3.15Å; L461-H464 VanDerWaalsContact O-N 3.14Å; L461-V465 VanDerWaalsContact O-CG2 3.3Å; L461-V465 WeakPolarHBondContact O-CG2 3.34Å; L461-V465 PolarHBondContact O-N 3.37Å |
| 462 | L | 94.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -38.1 | -178.4 | -58.8 | 172.5 | 0 | 0 | 0 | 112.3 | V400 I404 L459 M460 R466 | V400-L462 HydrophobicContact CG1-CD2 3.94Å; I404-L462 HydrophobicContact CD1-CD2 4.17Å; I404-L462 HydrophobicContact CG1-CD2 3.52Å; L459-L462 HydrophobicContact CD2-CD1 4.02Å; L459-L462 VanDerWaalsContact O-CB 3.3Å; L459-L462 WeakPolarHBondContact O-CB 3.45Å; L459-L462 WeakPolarHBondContact O-CG 3.11Å; L459-L462 PolarHBondContact O-N 3.24Å; M460-L462 VanDerWaalsContact C-N 3.28Å; L462-R466 VanDerWaalsContact O-CB 3.27Å; L462-R466 WeakPolarHBondContact O-CB 3.07Å; L462-R466 PolarHBondContact O-N 3.45Å |
| 463 | S | 94.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.5 | -34.8 | 178 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | M460 L461 H467 | M460-S463 PolarHBondContact O-OG 2.79Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 3.3Å; S463-H467 WeakPolarHBondContact O-CB 3.38Å; S463-H467 PolarHBondContact O-N 2.86Å |
| 464 | H | 93.9 | Very high | 95.3 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 44% | 0.44 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.5 | -44.5 | 175.7 | -64.3 | 82.3 | 0 | 0 | 0 | 110.8 | T383 M460 L461 R466 H467 A468 | T383-H464 HydrophobicContact CG2-CB 3.92Å; M460-H464 PolarHBondContact O-ND1 3.35Å; L461-H464 PolarHBondContact O-N 3.15Å; L461-H464 VanDerWaalsContact O-N 3.14Å; H464-R466 PolarHBondContact O-N 3.06Å; H464-H467 PolarHBondContact O-N 2.94Å; H464-A468 PolarHBondContact O-N 3.45Å |
| 465 | V | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | E337 V341 M344 F387 I404 L461 H467 A468 S469 | E337-V465 HydrophobicContact CB-CG1 3.72Å; E337-V465 HydrophobicContact CG-CG1 4.07Å; V341-V465 HydrophobicContact CB-CG1 4.32Å; V341-V465 HydrophobicContact CG2-CG2 4.24Å; M344-V465 HydrophobicContact CE-CB 4.48Å; M344-V465 HydrophobicContact CE-CG1 4.43Å; M344-V465 HydrophobicContact CE-CG2 3.8Å; F387-V465 HydrophobicContact CZ-CG2 4.49Å; I404-V465 HydrophobicContact CD1-CG1 4.04Å; L461-V465 VanDerWaalsContact O-CG2 3.3Å; L461-V465 WeakPolarHBondContact O-CG2 3.34Å; L461-V465 PolarHBondContact O-N 3.37Å; V465-H467 VanDerWaalsContact C-N 3.33Å; V465-H467 PolarHBondContact O-N 2.9Å; V465-A468 PolarHBondContact O-N 2.81Å; V465-S469 WeakPolarHBondContact O-CB 3.29Å; V465-S469 PolarHBondContact O-N 2.9Å; V465-S469 PolarHBondContact O-OG 2.93Å |
| 466 | R | 94.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 28% | 0.279 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -38.1 | 176.7 | -179.9 | 63.1 | 60.7 | 146.2 | 1.8 | 113.3 | E337 L462 H464 S469 N470 | E337-R466 IonicContact OE1-CZ 3.56Å; E337-R466 IonicContact OE1-NE 3.63Å; E337-R466 PolarHBondContact OE1-NE 3.29Å; E337-R466 IonicContact OE1-NH1 3.26Å; E337-R466 IonicContact OE1-NH2 2.73Å; E337-R466 PolarHBondContact OE1-NH2 3.42Å; E337-R466 IonicContact OE2-CZ 2.74Å; E337-R466 IonicContact OE2-NE 3.88Å; E337-R466 PolarHBondContact OE2-NE 3.26Å; E337-R466 IonicContact OE2-NH2 2.76Å; E337-R466 PolarHBondContact OE2-NH2 2.73Å; L462-R466 VanDerWaalsContact O-CB 3.27Å; L462-R466 WeakPolarHBondContact O-CB 3.07Å; L462-R466 PolarHBondContact O-N 3.45Å; H464-R466 PolarHBondContact O-N 3.06Å; R466-S469 WeakPolarHBondContact CA-OG 3.48Å; R466-S469 PolarHBondContact O-OG 3.32Å; R466-N470 WeakPolarHBondContact O-CB 3.48Å; R466-N470 PolarHBondContact O-N 2.74Å; R466-N470 VanDerWaalsContact O-N 3.11Å; R466-N470 PolarHBondContact O-OD1 3.38Å |
| 467 | H | 94.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 49% | 0.486 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -49.1 | 179.3 | -175 | 49.9 | 0 | 0 | 0 | 111.1 | S463 H464 V465 S469 N470 K471 | S463-H467 WeakPolarHBondContact O-CB 3.38Å; S463-H467 PolarHBondContact O-N 2.86Å; H464-H467 PolarHBondContact O-N 2.94Å; V465-H467 VanDerWaalsContact C-N 3.33Å; V465-H467 PolarHBondContact O-N 2.9Å; H467-S469 VanDerWaalsContact C-N 3.33Å; H467-S469 PolarHBondContact O-N 2.78Å; H467-N470 PolarHBondContact O-N 2.88Å; H467-K471 PolarHBondContact O-N 3.46Å |
| 468 | A | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M340 M379 H464 V465 N470 K471 G472 | M340-A468 VanDerWaalsContact CE-O 3.22Å; M340-A468 WeakPolarHBondContact CE-O 3.43Å; M340-A468 HydrophobicContact SD-CB 3.65Å; M379-A468 HydrophobicContact CB-CB 4.35Å; H464-A468 PolarHBondContact O-N 3.45Å; V465-A468 PolarHBondContact O-N 2.81Å; A468-N470 PolarHBondContact O-N 3.22Å; A468-K471 PolarHBondContact O-N 3.35Å; A468-G472 PolarHBondContact O-N 3.38Å |
| 469 | S | 95.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | -179.4 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | E337 M340 V465 R466 H467 G472 M473 | E337-S469 WeakPolarHBondContact CG-OG 3.49Å; M340-S469 VanDerWaalsContact SD-CA 3.58Å; M340-S469 PolarHBondContact SD-N 3.31Å; M340-S469 VanDerWaalsContact SD-N 3.42Å; V465-S469 WeakPolarHBondContact O-CB 3.29Å; V465-S469 PolarHBondContact O-N 2.9Å; V465-S469 PolarHBondContact O-OG 2.93Å; R466-S469 WeakPolarHBondContact CA-OG 3.48Å; R466-S469 PolarHBondContact O-OG 3.32Å; H467-S469 VanDerWaalsContact C-N 3.33Å; H467-S469 PolarHBondContact O-N 2.78Å; S469-G472 PolarHBondContact O-N 3.13Å; S469-M473 WeakPolarHBondContact O-CB 3.3Å; S469-M473 PolarHBondContact O-N 2.98Å |
| 470 | N | 93.6 | Very high | 93 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.3 | -71.9 | -1 | 0 | 0 | 0 | 110.7 | R466 H467 A468 G472 M473 E474 | R466-N470 WeakPolarHBondContact O-CB 3.48Å; R466-N470 PolarHBondContact O-N 2.74Å; R466-N470 VanDerWaalsContact O-N 3.11Å; R466-N470 PolarHBondContact O-OD1 3.38Å; H467-N470 PolarHBondContact O-N 2.88Å; A468-N470 PolarHBondContact O-N 3.22Å; N470-G472 VanDerWaalsContact C-N 3.34Å; N470-G472 PolarHBondContact O-N 3.16Å; N470-M473 VanDerWaalsContact O-CB 3.28Å; N470-M473 WeakPolarHBondContact O-CB 3.2Å; N470-M473 PolarHBondContact O-N 3.37Å; N470-M473 VanDerWaalsContact O-N 3.12Å; N470-E474 WeakPolarHBondContact O-CG 3.18Å; N470-E474 PolarHBondContact O-N 2.75Å |
| 471 | K | 95 | Very high | 92.5 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 23% | 0.226 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.1 | -80.9 | -84 | -167.9 | 166.6 | 0 | 112.8 | E375 I376 M379 H467 A468 E474 H475 | E375-K471 WeakPolarHBondContact OE1-CE 3.48Å; E375-K471 IonicContact OE1-NZ 2.62Å; E375-K471 PolarHBondContact OE1-NZ 3.46Å; E375-K471 IonicContact OE2-NZ 3.17Å; E375-K471 PolarHBondContact OE2-NZ 3.42Å; I376-K471 HydrophobicContact CG1-CB 4.12Å; M379-K471 HydrophobicContact CE-CB 3.54Å; M379-K471 HydrophobicContact CE-CD 4.27Å; M379-K471 HydrophobicContact CE-CG 3.68Å; M379-K471 HydrophobicContact SD-CG 4.35Å; H467-K471 PolarHBondContact O-N 3.46Å; A468-K471 PolarHBondContact O-N 3.35Å; K471-E474 PolarHBondContact O-N 3.34Å; K471-H475 WeakPolarHBondContact O-CB 3.22Å; K471-H475 PolarHBondContact O-N 3.43Å |
| 472 | G | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A468 S469 N470 L476 | A468-G472 PolarHBondContact O-N 3.38Å; S469-G472 PolarHBondContact O-N 3.13Å; N470-G472 VanDerWaalsContact C-N 3.34Å; N470-G472 PolarHBondContact O-N 3.16Å; G472-L476 WeakPolarHBondContact O-CB 3.34Å; G472-L476 WeakPolarHBondContact O-CG 3.23Å; G472-L476 PolarHBondContact O-N 3.18Å |
| 473 | M | 92.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 5% | 0.054 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 174.5 | -164.5 | 75.6 | 62 | 0 | 0 | 111.4 | W335 M336 S469 N470 H475 L476 L477 L495 H498 | W335-M473 HydrophobicContact CH2-CE 4.48Å; W335-M473 HydrophobicContact CH2-SD 4.36Å; W335-M473 HydrophobicContact CZ2-CE 3.66Å; W335-M473 HydrophobicContact CZ2-SD 3.56Å; W335-M473 VanDerWaalsContact CZ2-SD 3.56Å; M336-M473 HydrophobicContact CB-CE 3.77Å; M336-M473 HydrophobicContact CG-CE 4.47Å; S469-M473 WeakPolarHBondContact O-CB 3.3Å; S469-M473 PolarHBondContact O-N 2.98Å; N470-M473 VanDerWaalsContact O-CB 3.28Å; N470-M473 WeakPolarHBondContact O-CB 3.2Å; N470-M473 PolarHBondContact O-N 3.37Å; N470-M473 VanDerWaalsContact O-N 3.12Å; M473-H475 VanDerWaalsContact C-N 3.34Å; M473-H475 PolarHBondContact O-N 3.01Å; M473-L476 PolarHBondContact O-N 3.44Å; M473-L477 HydrophobicContact CG-CD1 4.38Å; M473-L477 WeakPolarHBondContact O-CB 3.49Å; M473-L477 VanDerWaalsContact O-CG 3.31Å; M473-L477 WeakPolarHBondContact O-CG 3.38Å; M473-L477 PolarHBondContact O-N 3.43Å; M473-L495 HydrophobicContact CG-CD1 4.28Å; M473-L495 HydrophobicContact SD-CD1 3.53Å; M473-L495 VanDerWaalsContact SD-CD1 3.53Å; M473-H498 VanDerWaalsContact CE-CD2 3.49Å; M473-H498 WeakPolarHBondContact CE-CD2 3.12Å; M473-H498 WeakPolarHBondContact CE-NE2 3.32Å; M473-H498 HydrophobicContact CG-CB 4.4Å; M473-H498 HydrophobicContact SD-CB 4.29Å |
| 474 | E | 92.4 | Very high | 90.4 | Very high | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 177.5 | -71.9 | 165.3 | -174.8 | 0 | 0 | 111.7 | N470 K471 L477 S478 | N470-E474 WeakPolarHBondContact O-CG 3.18Å; N470-E474 PolarHBondContact O-N 2.75Å; K471-E474 PolarHBondContact O-N 3.34Å; E474-L477 PolarHBondContact O-N 2.91Å; E474-S478 WeakPolarHBondContact O-CB 3.21Å; E474-S478 PolarHBondContact O-N 3.38Å |
| 475 | H | 92.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 11% | 0.111 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 175.7 | 177 | 72.6 | 0 | 0 | 0 | 112.3 | E371 I376 K471 M473 L477 S478 M479 | E371-H475 PolarHBondContact O-CE1 2.83Å; I376-H475 HydrophobicContact CD1-CB 3.53Å; K471-H475 WeakPolarHBondContact O-CB 3.22Å; K471-H475 PolarHBondContact O-N 3.43Å; M473-H475 VanDerWaalsContact C-N 3.34Å; M473-H475 PolarHBondContact O-N 3.01Å; H475-L477 VanDerWaalsContact C-N 3.32Å; H475-L477 PolarHBondContact O-N 3.44Å; H475-S478 WeakPolarHBondContact O-CB 3.43Å; H475-S478 PolarHBondContact O-N 3.18Å; H475-S478 VanDerWaalsContact O-N 3.17Å; H475-M479 WeakPolarHBondContact O-CG 3.28Å; H475-M479 PolarHBondContact O-N 2.97Å |
| 476 | L | 91.6 | Very high | 88.1 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 175.9 | -75.7 | 174.4 | 0 | 0 | 0 | 112.5 | M295 T299 W335 M336 G472 M473 K480 L495 | M295-L476 HydrophobicContact CE-CD2 3.83Å; T299-L476 HydrophobicContact CG2-CD2 4.3Å; W335-L476 HydrophobicContact CH2-CD1 3.98Å; M336-L476 HydrophobicContact CE-CD1 3.64Å; M336-L476 HydrophobicContact CE-CG 4.48Å; M336-L476 HydrophobicContact SD-CD1 4.23Å; G472-L476 WeakPolarHBondContact O-CB 3.34Å; G472-L476 WeakPolarHBondContact O-CG 3.23Å; G472-L476 PolarHBondContact O-N 3.18Å; M473-L476 PolarHBondContact O-N 3.44Å; L476-K480 WeakPolarHBondContact O-CB 3.42Å; L476-K480 PolarHBondContact O-N 3.4Å; L476-L495 HydrophobicContact CB-CD1 4.2Å |
| 477 | L | 89.3 | Confident | 87.3 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 172.6 | -73.1 | 171.6 | 0 | 0 | 0 | 111.7 | M473 E474 H475 K480 C481 L495 V499 | M473-L477 HydrophobicContact CG-CD1 4.38Å; M473-L477 WeakPolarHBondContact O-CB 3.49Å; M473-L477 VanDerWaalsContact O-CG 3.31Å; M473-L477 WeakPolarHBondContact O-CG 3.38Å; M473-L477 PolarHBondContact O-N 3.43Å; E474-L477 PolarHBondContact O-N 2.91Å; H475-L477 VanDerWaalsContact C-N 3.32Å; H475-L477 PolarHBondContact O-N 3.44Å; L477-K480 PolarHBondContact O-N 3.46Å; L477-C481 PolarHBondContact O-N 3.39Å; L477-C481 PolarHBondContact O-SG 2.97Å; L477-C481 VanDerWaalsContact O-SG 3.4Å; L477-L495 HydrophobicContact CD2-CD1 3.63Å; L477-L495 HydrophobicContact CD2-CD2 4.21Å; L477-L495 HydrophobicContact CD2-CG 3.65Å; L477-L495 HydrophobicContact CG-CD1 3.74Å; L477-L495 HydrophobicContact CG-CG 4.32Å; L477-V499 HydrophobicContact CD1-CG2 4.03Å; L477-V499 HydrophobicContact CD2-CG2 3.43Å; L477-V499 VanDerWaalsContact CD2-CG2 3.43Å; L477-V499 HydrophobicContact CG-CG2 4.4Å |
| 478 | S | 89.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 50 Ų | 50 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | E474 H475 K480 C481 K482 | E474-S478 WeakPolarHBondContact O-CB 3.21Å; E474-S478 PolarHBondContact O-N 3.38Å; H475-S478 WeakPolarHBondContact O-CB 3.43Å; H475-S478 PolarHBondContact O-N 3.18Å; H475-S478 VanDerWaalsContact O-N 3.17Å; S478-K480 PolarHBondContact O-N 2.89Å; S478-C481 PolarHBondContact O-N 2.91Å; S478-K482 WeakPolarHBondContact O-CG 3.35Å; S478-K482 PolarHBondContact O-N 3.17Å |
| 479 | M | 86.6 | Confident | 86 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.7 | -31.5 | -179.7 | -62.5 | -55 | -77.9 | 0 | 0 | 113 | E291 M295 V370 H475 K482 N483 V484 | E291-M479 HydrophobicContact CG-CE 3.76Å; E291-M479 WeakPolarHBondContact OE1-CE 3.42Å; M295-M479 HydrophobicContact CE-CB 4.41Å; M295-M479 HydrophobicContact CE-CG 4.19Å; M295-M479 HydrophobicContact CG-CE 4.27Å; V370-M479 HydrophobicContact CG1-CE 4.21Å; H475-M479 WeakPolarHBondContact O-CG 3.28Å; H475-M479 PolarHBondContact O-N 2.97Å; M479-K482 HydrophobicContact SD-CD 3.92Å; M479-N483 PolarHBondContact O-N 3.4Å; M479-V484 HydrophobicContact CE-CB 3.87Å; M479-V484 HydrophobicContact CE-CG1 3.8Å; M479-V484 HydrophobicContact CE-CG2 3.74Å; M479-V484 PolarHBondContact O-N 2.93Å; M479-V484 HydrophobicContact SD-CG2 4.45Å |
| 480 | K | 84.8 | Confident | 85.7 | Confident | 64 Ų | 64 | 58 Ų | 58 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -50.2 | 167.2 | 178.6 | -167.5 | 169.3 | -164.9 | 0 | 110.9 | L476 L477 S478 K482 N483 V487 L492 L495 N496 | L476-K480 WeakPolarHBondContact O-CB 3.42Å; L476-K480 PolarHBondContact O-N 3.4Å; L477-K480 PolarHBondContact O-N 3.46Å; S478-K480 PolarHBondContact O-N 2.89Å; K480-K482 VanDerWaalsContact C-N 3.28Å; K480-K482 PolarHBondContact O-N 2.86Å; K480-N483 WeakPolarHBondContact O-CA 3.35Å; K480-N483 PolarHBondContact O-N 3.36Å; K480-V487 HydrophobicContact CB-CG2 4.11Å; K480-V487 HydrophobicContact CD-CG2 4.48Å; K480-V487 HydrophobicContact CG-CG2 4.05Å; K480-L492 HydrophobicContact CD-CD1 4.04Å; K480-L492 VanDerWaalsContact CE-CD1 3.43Å; K480-L495 HydrophobicContact CD-CD2 3.97Å; K480-N496 PolarHBondContact NZ-OD1 3.29Å |
| 481 | C | 85.2 | Confident | 85.5 | Confident | 104 Ų | 104 | 55 Ų | 55 | 70% | 0.703 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.8 | -29.7 | -179.8 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | L477 S478 N483 | L477-C481 PolarHBondContact O-N 3.39Å; L477-C481 PolarHBondContact O-SG 2.97Å; L477-C481 VanDerWaalsContact O-SG 3.4Å; S478-C481 PolarHBondContact O-N 2.91Å; C481-N483 PolarHBondContact O-N 3.44Å |
| 482 | K | 84.1 | Confident | 85.1 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.3 | 169.5 | -70.1 | 177 | 173.8 | 179.1 | 0 | 114 | E371 S478 M479 K480 V484 | E371-K482 IonicContact OE2-NZ 2.61Å; E371-K482 PolarHBondContact OE2-NZ 3.31Å; S478-K482 WeakPolarHBondContact O-CG 3.35Å; S478-K482 PolarHBondContact O-N 3.17Å; M479-K482 HydrophobicContact SD-CD 3.92Å; K480-K482 VanDerWaalsContact C-N 3.28Å; K480-K482 PolarHBondContact O-N 2.86Å; K482-V484 HydrophobicContact CB-CG2 3.53Å; K482-V484 HydrophobicContact CD-CG2 4.24Å; K482-V484 PolarHBondContact O-N 3.25Å |
| 483 | N | 80.4 | Confident | 84.8 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28 | -173.6 | -65.4 | -60.5 | 0 | 0 | 0 | 115 | M479 K480 C481 V485 | M479-N483 PolarHBondContact O-N 3.4Å; K480-N483 WeakPolarHBondContact O-CA 3.35Å; K480-N483 PolarHBondContact O-N 3.36Å; C481-N483 PolarHBondContact O-N 3.44Å; N483-V485 VanDerWaalsContact C-N 3.34Å; N483-V485 PolarHBondContact O-N 2.97Å |
| 484 | V | 74.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | trans | -71.8 | -29.9 | -174.3 | -176.8 | 0 | 0 | 0 | 0 | 112 | E291 A292 M479 K482 | E291-V484 HydrophobicContact CG-CG1 4.2Å; A292-V484 HydrophobicContact CB-CG1 4.32Å; M479-V484 HydrophobicContact CE-CB 3.87Å; M479-V484 HydrophobicContact CE-CG1 3.8Å; M479-V484 HydrophobicContact CE-CG2 3.74Å; M479-V484 PolarHBondContact O-N 2.93Å; M479-V484 HydrophobicContact SD-CG2 4.45Å; K482-V484 HydrophobicContact CB-CG2 3.53Å; K482-V484 HydrophobicContact CD-CG2 4.24Å; K482-V484 PolarHBondContact O-N 3.25Å | ||
| 485 | V | 70.9 | Confident | 84.6 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -145.5 | 137.2 | -176.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | M295 M296 T299 N483 V487 | M295-V485 HydrophobicContact CB-CB 4.47Å; M295-V485 HydrophobicContact CB-CG2 3.48Å; M295-V485 VanDerWaalsContact CB-CG2 3.48Å; M296-V485 HydrophobicContact CB-CG1 4.28Å; M296-V485 HydrophobicContact SD-CG1 4.23Å; T299-V485 HydrophobicContact CG2-CG1 3.91Å; T299-V485 WeakPolarHBondContact OG1-CG1 3.24Å; N483-V485 VanDerWaalsContact C-N 3.34Å; N483-V485 PolarHBondContact O-N 2.97Å; V485-V487 PolarHBondContact O-N 3.11Å |
| 486 | P | 72.5 | Confident | 84.1 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129 | 169.9 | 28.3 | -35 | 0 | 0 | 0 | 110.9 | M296 | M296-P486 HydrophobicContact CE-CG 3.74Å; M296-P486 HydrophobicContact SD-CG 3.91Å |
| 487 | V | 76.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 118.6 | 173.2 | -168.9 | 0 | 0 | 0 | 0 | 107.9 | K480 V485 L491 L492 L495 | K480-V487 HydrophobicContact CB-CG2 4.11Å; K480-V487 HydrophobicContact CD-CG2 4.48Å; K480-V487 HydrophobicContact CG-CG2 4.05Å; V485-V487 PolarHBondContact O-N 3.11Å; V487-L491 HydrophobicContact CG1-CB 3.91Å; V487-L491 HydrophobicContact CG1-CD2 3.86Å; V487-L491 HydrophobicContact CG1-CG 3.64Å; V487-L492 HydrophobicContact CB-CB 4.18Å; V487-L492 HydrophobicContact CB-CD1 4.41Å; V487-L492 HydrophobicContact CG1-CB 3.81Å; V487-L495 HydrophobicContact CG1-CD2 4.34Å |
| 488 | Y | 79.8 | Confident | 82.7 | Confident | 86 Ų | 86 | 57 Ų | 57 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 149.2 | 177 | -62.9 | -83.4 | 0 | 0 | 0 | 111.9 | K300 D303 L490 L491 L492 | K300-Y488 HydrophobicContact CB-CE2 3.69Å; K300-Y488 HydrophobicContact CG-CE2 4.29Å; D303-Y488 HydrophobicContact CB-CD2 3.98Å; D303-Y488 HydrophobicContact CB-CG 4.21Å; D303-Y488 VanDerWaalsContact OD1-CB 3.29Å; D303-Y488 WeakPolarHBondContact OD1-CB 3.48Å; Y488-L490 VanDerWaalsContact C-N 3.34Å; Y488-L490 PolarHBondContact O-N 2.92Å; Y488-L491 CarbonylContact O-C 3.53Å; Y488-L491 PolarHBondContact O-N 3.22Å; Y488-L492 VanDerWaalsContact O-CB 3.28Å; Y488-L492 WeakPolarHBondContact O-CB 3.31Å; Y488-L492 PolarHBondContact O-N 3.16Å |
| 489 | D | 83.9 | Confident | 81.5 | Confident | 132 Ų | 132 | 57 Ų | 57 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -49.3 | -48 | -169.5 | -54.9 | -26.9 | 0 | 0 | 0 | 113.7 | L492 E493 | D489-L492 WeakPolarHBondContact O-CB 3.47Å; D489-L492 PolarHBondContact O-N 3.07Å; D489-E493 WeakPolarHBondContact O-CG 3.48Å; D489-E493 PolarHBondContact O-N 3.46Å |
| 490 | L | 88.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 179.2 | 176 | 62.4 | 0 | 0 | 0 | 112 | L306 V307 I310 Y488 L492 E493 M494 | L306-L490 HydrophobicContact CB-CD2 3.87Å; L306-L490 HydrophobicContact CB-CG 4.37Å; L306-L490 HydrophobicContact CD1-CG 4.41Å; V307-L490 HydrophobicContact CG2-CD2 3.71Å; I310-L490 HydrophobicContact CD1-CD1 4.01Å; I310-L490 HydrophobicContact CD1-CD2 3.92Å; Y488-L490 VanDerWaalsContact C-N 3.34Å; Y488-L490 PolarHBondContact O-N 2.92Å; L490-L492 PolarHBondContact O-N 3.11Å; L490-E493 PolarHBondContact O-N 3.35Å; L490-M494 HydrophobicContact CD1-CG 4.12Å; L490-M494 WeakPolarHBondContact O-CB 3.47Å; L490-M494 WeakPolarHBondContact O-CG 3.12Å; L490-M494 PolarHBondContact O-N 2.77Å |
| 491 | L | 89.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -34.1 | 175.1 | -178.5 | 62.7 | 0 | 0 | 0 | 111.5 | T299 A302 D303 L306 W335 V487 Y488 L495 | T299-L491 HydrophobicContact CG2-CD2 4.05Å; A302-L491 HydrophobicContact CB-CD1 4.02Å; A302-L491 HydrophobicContact CB-CD2 4.19Å; D303-L491 HydrophobicContact CB-CB 4.44Å; L306-L491 HydrophobicContact CD1-CB 4.05Å; L306-L491 HydrophobicContact CD1-CD1 3.65Å; L306-L491 HydrophobicContact CD1-CG 4.46Å; W335-L491 HydrophobicContact CE3-CD1 4.49Å; W335-L491 HydrophobicContact CH2-CD1 3.51Å; W335-L491 HydrophobicContact CZ2-CD1 4.3Å; W335-L491 HydrophobicContact CZ3-CD1 3.62Å; V487-L491 HydrophobicContact CG1-CB 3.91Å; V487-L491 HydrophobicContact CG1-CD2 3.86Å; V487-L491 HydrophobicContact CG1-CG 3.64Å; Y488-L491 CarbonylContact O-C 3.53Å; Y488-L491 PolarHBondContact O-N 3.22Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 PolarHBondContact O-N 3.47Å |
| 492 | L | 88.1 | Confident | 76.8 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 179 | 177.1 | 58.6 | 0 | 0 | 0 | 111.9 | K480 V487 Y488 D489 L490 L495 N496 | K480-L492 HydrophobicContact CD-CD1 4.04Å; K480-L492 VanDerWaalsContact CE-CD1 3.43Å; V487-L492 HydrophobicContact CB-CB 4.18Å; V487-L492 HydrophobicContact CB-CD1 4.41Å; V487-L492 HydrophobicContact CG1-CB 3.81Å; Y488-L492 VanDerWaalsContact O-CB 3.28Å; Y488-L492 WeakPolarHBondContact O-CB 3.31Å; Y488-L492 PolarHBondContact O-N 3.16Å; D489-L492 WeakPolarHBondContact O-CB 3.47Å; D489-L492 PolarHBondContact O-N 3.07Å; L490-L492 PolarHBondContact O-N 3.11Å; L492-L495 PolarHBondContact O-N 3.1Å; L492-N496 VanDerWaalsContact O-CB 3.3Å; L492-N496 WeakPolarHBondContact O-CB 3.36Å; L492-N496 PolarHBondContact O-N 3.13Å; L492-N496 PolarHBondContact O-ND2 2.86Å; L492-N496 VanDerWaalsContact O-ND2 3.15Å; L492-N496 PolarHBondContact O-OD1 3.42Å |
| 493 | E | 88.6 | Confident | 74.3 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.7 | -51.1 | 171.9 | -75.6 | 179.2 | 176.5 | 0 | 0 | 111.2 | D489 L490 L495 N496 A497 | D489-E493 WeakPolarHBondContact O-CG 3.48Å; D489-E493 PolarHBondContact O-N 3.46Å; L490-E493 PolarHBondContact O-N 3.35Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.17Å; E493-N496 PolarHBondContact O-N 3.04Å; E493-A497 WeakPolarHBondContact O-CB 3.18Å; E493-A497 PolarHBondContact O-N 2.74Å |
| 494 | M | 91.1 | Very high | 72.2 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -30.2 | -178.3 | -63.5 | -69.6 | -74.8 | 0 | 0 | 112.9 | L306 L331 E332 W335 L490 | L306-M494 HydrophobicContact CD1-CB 4.48Å; L306-M494 HydrophobicContact CD1-CG 4.34Å; L306-M494 HydrophobicContact CD2-CE 3.99Å; L306-M494 HydrophobicContact CD2-CG 4.4Å; L331-M494 VanDerWaalsContact C-CE 3.47Å; L331-M494 HydrophobicContact CB-CE 4.11Å; L331-M494 WeakPolarHBondContact O-CE 3.36Å; E332-M494 HydrophobicContact CG-SD 4.4Å; W335-M494 HydrophobicContact CB-CE 3.66Å; W335-M494 HydrophobicContact CD2-CB 4.37Å; W335-M494 HydrophobicContact CG-CB 4.38Å; W335-M494 HydrophobicContact CG-CE 3.76Å; W335-M494 PolarHBondContact NE1-O 2.67Å; L490-M494 HydrophobicContact CD1-CG 4.12Å; L490-M494 WeakPolarHBondContact O-CB 3.47Å; L490-M494 WeakPolarHBondContact O-CG 3.12Å; L490-M494 PolarHBondContact O-N 2.77Å |
| 495 | L | 87.5 | Confident | 70.2 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76 | -43.7 | 173.6 | -175.7 | 62.2 | 0 | 0 | 0 | 111.8 | W335 M473 L476 L477 K480 V487 L491 L492 E493 A497 H498 | W335-L495 HydrophobicContact CZ2-CB 4.49Å; W335-L495 HydrophobicContact CZ2-CD1 4.47Å; M473-L495 HydrophobicContact CG-CD1 4.28Å; M473-L495 HydrophobicContact SD-CD1 3.53Å; M473-L495 VanDerWaalsContact SD-CD1 3.53Å; L476-L495 HydrophobicContact CB-CD1 4.2Å; L477-L495 HydrophobicContact CD2-CD1 3.63Å; L477-L495 HydrophobicContact CD2-CD2 4.21Å; L477-L495 HydrophobicContact CD2-CG 3.65Å; L477-L495 HydrophobicContact CG-CD1 3.74Å; L477-L495 HydrophobicContact CG-CG 4.32Å; K480-L495 HydrophobicContact CD-CD2 3.97Å; V487-L495 HydrophobicContact CG1-CD2 4.34Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 PolarHBondContact O-N 3.47Å; L492-L495 PolarHBondContact O-N 3.1Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.17Å; L495-A497 VanDerWaalsContact C-N 3.33Å; L495-A497 PolarHBondContact O-N 2.75Å; L495-H498 PolarHBondContact O-N 2.75Å |
| 496 | N | 83.9 | Confident | 68.2 | Low | 54 Ų | 54 | 64.3 Ų | 64.3 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 178.4 | -68.4 | -20.7 | 0 | 0 | 0 | 112.4 | K480 L492 E493 H498 V499 L500 | K480-N496 PolarHBondContact NZ-OD1 3.29Å; L492-N496 VanDerWaalsContact O-CB 3.3Å; L492-N496 WeakPolarHBondContact O-CB 3.36Å; L492-N496 PolarHBondContact O-N 3.13Å; L492-N496 PolarHBondContact O-ND2 2.86Å; L492-N496 VanDerWaalsContact O-ND2 3.15Å; L492-N496 PolarHBondContact O-OD1 3.42Å; E493-N496 PolarHBondContact O-N 3.04Å; N496-H498 PolarHBondContact O-N 3.33Å; N496-V499 PolarHBondContact O-N 3.35Å; N496-L500 PolarHBondContact O-N 3.36Å; N496-L500 VanDerWaalsContact O-N 3.13Å |
| 497 | A | 81.4 | Confident | 66.3 | Low | 11 Ų | 11 | 66.1 Ų | 66.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E332 E493 L495 R501 | E332-A497 HydrophobicContact CB-CB 4.05Å; E332-A497 HydrophobicContact CG-CB 3.68Å; E493-A497 WeakPolarHBondContact O-CB 3.18Å; E493-A497 PolarHBondContact O-N 2.74Å; L495-A497 VanDerWaalsContact C-N 3.33Å; L495-A497 PolarHBondContact O-N 2.75Å; A497-R501 WeakPolarHBondContact O-CD 3.41Å; A497-R501 VanDerWaalsContact O-CG 3.29Å; A497-R501 WeakPolarHBondContact O-CG 3.37Å |
| 498 | H | 68.9 | Low | 64.1 | Low | 44 Ų | 44 | 71.8 Ų | 71.8 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73.2 | -41.7 | 172.8 | -89.8 | -96.2 | 0 | 0 | 0 | 112.5 | E332 W335 M473 L495 N496 L500 R501 G502 | E332-H498 PolarHBondContact O-CD2 2.89Å; E332-H498 PolarHBondContact O-NE2 2.68Å; W335-H498 AromaticContact NE1-CD2 3.92Å; M473-H498 VanDerWaalsContact CE-CD2 3.49Å; M473-H498 WeakPolarHBondContact CE-CD2 3.12Å; M473-H498 WeakPolarHBondContact CE-NE2 3.32Å; M473-H498 HydrophobicContact CG-CB 4.4Å; M473-H498 HydrophobicContact SD-CB 4.29Å; L495-H498 PolarHBondContact O-N 2.75Å; N496-H498 PolarHBondContact O-N 3.33Å; H498-L500 PolarHBondContact O-N 2.62Å; H498-R501 WeakPolarHBondContact O-CB 3.49Å; H498-R501 PolarHBondContact O-N 3.17Å; H498-R501 VanDerWaalsContact O-N 3.11Å; H498-G502 PolarHBondContact O-N 2.9Å |
| 499 | V | 64.9 | Low | 61.9 | Low | 58 Ų | 58 | 70.3 Ų | 70.3 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | L477 N496 R501 G502 C503 | L477-V499 HydrophobicContact CD1-CG2 4.03Å; L477-V499 HydrophobicContact CD2-CG2 3.43Å; L477-V499 VanDerWaalsContact CD2-CG2 3.43Å; L477-V499 HydrophobicContact CG-CG2 4.4Å; N496-V499 PolarHBondContact O-N 3.35Å; V499-R501 PolarHBondContact O-N 3.06Å; V499-R501 VanDerWaalsContact O-N 3.16Å; V499-G502 PolarHBondContact O-N 3.42Å; V499-G502 VanDerWaalsContact O-N 3.11Å; V499-C503 PolarHBondContact O-N 2.91Å |
| 500 | L | 56.5 | Low | 59.2 | Low | 117 Ų | 117 | 69.6 Ų | 69.6 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.4 | -20.2 | 177.1 | -78.6 | 161.5 | 0 | 0 | 0 | 114.1 | N496 H498 K504 | N496-L500 PolarHBondContact O-N 3.36Å; N496-L500 VanDerWaalsContact O-N 3.13Å; H498-L500 PolarHBondContact O-N 2.62Å; L500-K504 WeakPolarHBondContact O-CG 3.47Å |
| 501 | R | 55.8 | Low | 56.4 | Low | 79 Ų | 79 | 76.8 Ų | 76.8 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -88.5 | -41.3 | 172.7 | -64.5 | 169.6 | -175.5 | -146.3 | 11.8 | 111 | R329 E332 A497 H498 V499 K504 | R329-R501 PolarHBondContact O-NH2 3.07Å; R329-R501 VanDerWaalsContact O-NH2 3.13Å; E332-R501 IonicContact OE2-CZ 2.94Å; E332-R501 IonicContact OE2-NE 2.74Å; E332-R501 IonicContact OE2-NH2 3.72Å; E332-R501 PolarHBondContact OE2-NH2 3.47Å; A497-R501 WeakPolarHBondContact O-CD 3.41Å; A497-R501 VanDerWaalsContact O-CG 3.29Å; A497-R501 WeakPolarHBondContact O-CG 3.37Å; H498-R501 WeakPolarHBondContact O-CB 3.49Å; H498-R501 PolarHBondContact O-N 3.17Å; H498-R501 VanDerWaalsContact O-N 3.11Å; V499-R501 PolarHBondContact O-N 3.06Å; V499-R501 VanDerWaalsContact O-N 3.16Å; R501-K504 PolarHBondContact O-N 3.26Å |
| 502 | G | 45.1 | Very low | 53.4 | Low | 37 Ų | 37 | 82.8 Ų | 82.8 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.2 | -54.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H498 V499 K504 S505 S506 | H498-G502 PolarHBondContact O-N 2.9Å; V499-G502 PolarHBondContact O-N 3.42Å; V499-G502 VanDerWaalsContact O-N 3.11Å; G502-K504 PolarHBondContact O-N 2.9Å; G502-K504 VanDerWaalsContact O-N 3.16Å; G502-S505 WeakPolarHBondContact O-CB 3.44Å; G502-S505 PolarHBondContact O-N 3.16Å; G502-S505 PolarHBondContact O-OG 2.8Å; G502-S506 PolarHBondContact O-N 3.26Å |
| 503 | C | 32.7 | Very low | 50.6 | Low | 56 Ų | 56 | 86 Ų | 86 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.5 | -32.4 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | V499 S505 S506 I507 | V499-C503 PolarHBondContact O-N 2.91Å; C503-S505 PolarHBondContact O-N 2.88Å; C503-S506 PolarHBondContact O-N 2.97Å; C503-S506 VanDerWaalsContact O-N 3.07Å; C503-S506 PolarHBondContact O-OG 3.37Å; C503-I507 HydrophobicContact CB-CD1 3.92Å; C503-I507 WeakPolarHBondContact O-CB 3.19Å; C503-I507 WeakPolarHBondContact O-CD1 3.42Å; C503-I507 WeakPolarHBondContact O-CG1 3.5Å; C503-I507 PolarHBondContact O-N 3.21Å |
| 504 | K | 35.3 | Very low | 47.9 | Very low | 153 Ų | 153 | 87.9 Ų | 87.9 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71 | -9 | 176.4 | -70.8 | -179.7 | -177.8 | 179 | 0 | 114.2 | L500 R501 G502 | L500-K504 WeakPolarHBondContact O-CG 3.47Å; R501-K504 PolarHBondContact O-N 3.26Å; G502-K504 PolarHBondContact O-N 2.9Å; G502-K504 VanDerWaalsContact O-N 3.16Å |
| 505 | S | 32.3 | Very low | 45 | Very low | 103 Ų | 103 | 92 Ų | 92 | 72% | 0.72 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -95.5 | -17.7 | 168.9 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | G502 C503 | G502-S505 WeakPolarHBondContact O-CB 3.44Å; G502-S505 PolarHBondContact O-N 3.16Å; G502-S505 PolarHBondContact O-OG 2.8Å; C503-S505 PolarHBondContact O-N 2.88Å |
| 506 | S | 29.3 | Very low | 42.2 | Very low | 70 Ų | 70 | 100.5 Ų | 100.5 | 49% | 0.49 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -107.1 | -16.4 | -179.1 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | G502 C503 T508 G509 | G502-S506 PolarHBondContact O-N 3.26Å; C503-S506 PolarHBondContact O-N 2.97Å; C503-S506 VanDerWaalsContact O-N 3.07Å; C503-S506 PolarHBondContact O-OG 3.37Å; S506-T508 PolarHBondContact O-N 3.35Å; S506-G509 PolarHBondContact O-N 2.79Å |
| 507 | I | 32.7 | Very low | 39.7 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | trans | -76.5 | 61.5 | 175.6 | -61.4 | 160.5 | 0 | 0 | 0 | 110.6 | C503 | C503-I507 HydrophobicContact CB-CD1 3.92Å; C503-I507 WeakPolarHBondContact O-CB 3.19Å; C503-I507 WeakPolarHBondContact O-CD1 3.42Å; C503-I507 WeakPolarHBondContact O-CG1 3.5Å; C503-I507 PolarHBondContact O-N 3.21Å | ||
| 508 | T | 30.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 110 Ų | 110 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -126.3 | 34.9 | 143.1 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | S506 | S506-T508 PolarHBondContact O-N 3.35Š|
| 509 | G | 33.6 | Very low | 35.3 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 57% | 0.567 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 179 | 119.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S506 | S506-G509 PolarHBondContact O-N 2.79Š|
| 510 | S | 27.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 62.4 | 125.6 | 177.4 | -153.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 511 | E | 29.5 | Very low | 32.5 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | trans | -78.4 | 152.9 | 164.2 | -61.2 | 173.2 | 130.7 | 0 | 0 | 109.7 | ||||
| 512 | C | 26.5 | Very low | 31.3 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 86% | 0.858 | 75% | 0.75 | S | S | * | * | trans | -140.2 | 112 | 167 | -167.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 513 | S | 29.3 | Very low | 30.6 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 124.7 | -174.6 | 38.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 514 | L | 31.8 | Very low | 30.4 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 119.4 | 164.7 | -69.3 | 172.2 | 0 | 0 | 0 | 108.4 | ||
| 515 | A | 28.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 123.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | D517 | A515-D517 PolarHBondContact O-N 3.26Š|
| 516 | E | 30.3 | Very low | 30.4 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -84 | 102.2 | 173.6 | -68.5 | -169.6 | 134.4 | 0 | 0 | 110.4 | S518 | E516-S518 PolarHBondContact O-N 3.2Å; E516-S518 PolarHBondContact O-OG 3.33Å | ||
| 517 | D | 29.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -72.7 | 108.9 | 179.4 | -151.3 | -12.9 | 0 | 0 | 0 | 110.2 | A515 | A515-D517 PolarHBondContact O-N 3.26Š| ||
| 518 | S | 28.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -121.7 | 68.2 | -168.1 | 39.2 | 0 | 0 | 0 | 0 | 112 | E516 | E516-S518 PolarHBondContact O-N 3.2Å; E516-S518 PolarHBondContact O-OG 3.33Å | ||
| 519 | K | 31.1 | Very low | 31.6 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -111 | 112.8 | 168.7 | -81.2 | -178.4 | 174.7 | 175.8 | 0 | 111.9 | ||||
| 520 | N | 29.8 | Very low | 31.7 | Very low | 158 Ų | 158 | 152 Ų | 152 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | 177.5 | 111.7 | 120.6 | -91.7 | -23 | 0 | 0 | 0 | 112.6 | |||||
| 521 | K | 31.3 | Very low | 31.9 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | trans | -172.2 | 90 | 139.3 | -108.3 | 172.4 | -176.2 | 179.1 | 0 | 110.7 | ||||
| 522 | E | 32 | Very low | 32.1 | Very low | 200 Ų | 200 | 151.8 Ų | 151.8 | 94% | 0.935 | 85% | 0.846 | S | S | * | * | trans | -72.3 | 158.4 | 152.1 | -65.5 | -176.1 | 116.2 | 0 | 0 | 109.1 | ||||
| 523 | G | 28.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 153.2 Ų | 153.2 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | 145.2 | 47 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 524 | S | 30.3 | Very low | 32.6 | Very low | 127 Ų | 127 | 155.4 Ų | 155.4 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | -159.8 | 153.2 | 143.3 | -149.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 525 | Q | 33.9 | Very low | 32.6 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | trans | -113.3 | 157.1 | -173.4 | -68.2 | 179.5 | -39 | 0 | 0 | 112.6 | ||||
| 526 | N | 33.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 157.9 Ų | 157.9 | 77% | 0.77 | 85% | 0.845 | S | S | * | * | trans | 70.7 | 159.2 | 152.6 | -69.3 | -14.5 | 0 | 0 | 0 | 118.6 | ||||
| 527 | P | 52.3 | Low | 33 | Very low | 95 Ų | 95 | 156.2 Ų | 156.2 | 62% | 0.617 | 85% | 0.845 | S | S | * | * | -142.1 | -178.2 | -52.2 | 41.4 | -25.3 | 0 | 0 | 0 | 112.9 | |||||
| 528 | Q | 30.9 | Very low | 33.3 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | 68.4 | 151.8 | 168.3 | -56.9 | 168.4 | -49.1 | 0 | 0 | 114.1 | ||||
| 529 | S | 33.9 | Very low | 33.7 | Very low | 106 Ų | 106 | 160.1 Ų | 160.1 | 74% | 0.741 | 85% | 0.852 | S | S | * | * | cis | -152.6 | 162 | 22.9 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 530 | Q | 36.8 | Very low | 33.9 | Very low | 268 Ų | 268 | 158.5 Ų | 158.5 | 100% | 1.252 | 86% | 0.86 | S | S | * | * | trans | 70.6 | 0 | 172.8 | -61.8 | -172.9 | -9.5 | 0 | 0 | 116.6 |
Retrieved 530 of 530 residues in 938.9 ms
(Link to these results)