| 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 | 45.9 | Very low | 44 | Very low | 238 Ų | 238 | 159.1 Ų | 159.1 | 100% | 1.172 | 83% | 0.834 | S | S | * | * | 0 | 127.1 | 0 | -69.6 | 151.8 | 65.8 | 0 | 0 | 108.3 | |||||
| 2 | Q | 43.5 | Very low | 44.2 | Very low | 202 Ų | 202 | 160.5 Ų | 160.5 | 94% | 0.944 | 84% | 0.841 | S | S | * | * | trans | 178.6 | 126.5 | 157.8 | -101.3 | 157 | 22.6 | 0 | 0 | 106 | ||||
| 3 | K | 39.3 | Very low | 43.7 | Very low | 202 Ų | 202 | 163.7 Ų | 163.7 | 88% | 0.878 | 85% | 0.845 | S | S | * | * | trans | -109.9 | 126.5 | 176.8 | -68.5 | -174.4 | 178.9 | -177 | 0 | 107.9 | T5 | K3-T5 PolarHBondContact O-N 3.27Š| ||
| 4 | A | 46.9 | Very low | 43.3 | Very low | 110 Ų | 110 | 157.1 Ų | 157.1 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -85.6 | 104.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | T | 46.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -83.3 | 128.2 | 171.2 | -51.2 | 0 | 0 | 0 | 0 | 108.6 | K3 | K3-T5 PolarHBondContact O-N 3.27Š| ||
| 6 | Y | 48.9 | Very low | 42.6 | Very low | 220 Ų | 220 | 157.5 Ų | 157.5 | 86% | 0.863 | 83% | 0.828 | S | S | * | * | trans | -124 | 144.5 | 165 | -157.7 | -95.3 | 0 | 0 | 0 | 109.2 | ||||
| 7 | Y | 44.3 | Very low | 42.3 | Very low | 210 Ų | 210 | 154.6 Ų | 154.6 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -71.8 | 136.4 | -172.4 | -98 | -109.3 | 0 | 0 | 0 | 111.9 | ||||
| 8 | D | 43.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 158.6 Ų | 158.6 | 67% | 0.674 | 83% | 0.828 | S | S | * | * | trans | -89 | 139.7 | 151.3 | -172.9 | -86.3 | 0 | 0 | 0 | 108.2 | S10 | D8-S10 VanDerWaalsContact OD1-CB 3.27Å; D8-S10 WeakPolarHBondContact OD1-CB 3.22Å; D8-S10 PolarHBondContact OD1-N 3.41Å; D8-S10 PolarHBondContact OD1-OG 3.35Å | ||
| 9 | N | 39.1 | Very low | 42.8 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -111.2 | 68.6 | -176.1 | -170.1 | 6.5 | 0 | 0 | 0 | 110.8 | G11 | N9-G11 PolarHBondContact O-N 3.16Š| ||
| 10 | S | 46.7 | Very low | 42.3 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -94.6 | 77.9 | -178.7 | 22.2 | 0 | 0 | 0 | 0 | 111.2 | D8 | D8-S10 VanDerWaalsContact OD1-CB 3.27Å; D8-S10 WeakPolarHBondContact OD1-CB 3.22Å; D8-S10 PolarHBondContact OD1-N 3.41Å; D8-S10 PolarHBondContact OD1-OG 3.35Å | ||
| 11 | G | 39.3 | Very low | 42.1 | Very low | 54 Ų | 54 | 156.3 Ų | 156.3 | 56% | 0.557 | 82% | 0.824 | S | S | * | * | trans | -153.2 | 96 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N9 | N9-G11 PolarHBondContact O-N 3.16Š| ||
| 12 | L | 46.9 | Very low | 41.6 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -163.9 | 129.7 | 109.5 | -127.1 | 71.3 | 0 | 0 | 0 | 111.4 | |||||
| 13 | F | 37.9 | Very low | 41.1 | Very low | 202 Ų | 202 | 146 Ų | 146 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -73.9 | 134.4 | 166.6 | -112.1 | -115.7 | 0 | 0 | 0 | 109.3 | ||||
| 14 | G | 37.1 | Very low | 41 | Very low | 71 Ų | 71 | 146.1 Ų | 146.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -131.7 | 34.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y16 | G14-Y16 PolarHBondContact O-N 3.44Š| ||
| 15 | S | 35.3 | Very low | 40.4 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -75 | 103.1 | -177.4 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | Y | 39.9 | Very low | 39.9 | Very low | 229 Ų | 229 | 151.8 Ų | 151.8 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 118.8 | 165.1 | -95.8 | -87.9 | 0 | 0 | 0 | 110.8 | G14 | G14-Y16 PolarHBondContact O-N 3.44Š|
| 17 | S | 38.6 | Very low | 39.5 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 144 | -179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 18 | Y | 38.1 | Very low | 39.2 | Very low | 225 Ų | 225 | 140.6 Ų | 140.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 130.3 | 166.5 | -88.4 | -104.7 | 0 | 0 | 0 | 111 | ||
| 19 | P | 54.9 | Low | 38.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 124.8 | 152.6 | 31 | -29.7 | 0 | 0 | 0 | 108.7 | ||
| 20 | K | 34 | Very low | 38.6 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 124.4 | 171.3 | -175.4 | -178.1 | 179.1 | -173.9 | 0 | 107.4 | ||
| 21 | S | 36.7 | Very low | 38.1 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -127.9 | 160.5 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 22 | D | 36.9 | Very low | 38.1 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 164.7 | -143.8 | -70.9 | -77.5 | 0 | 0 | 0 | 118 | ||||
| 23 | S | 31.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -73.7 | 123.3 | -179.4 | 158.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 24 | Y | 37.1 | Very low | 37.6 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -125.1 | 136.5 | 160.7 | -45.2 | -67.9 | 0 | 0 | 0 | 109.6 | ||||
| 25 | M | 36 | Very low | 37.6 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 147.7 | -179.3 | -76.3 | -76.5 | 179.4 | 0 | 0 | 111.8 | ||||
| 26 | Y | 36.1 | Very low | 37.5 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | -175.4 | 160.1 | 101.5 | -111.7 | -94.3 | 0 | 0 | 0 | 111.6 | |||||
| 27 | G | 38.6 | Very low | 37.2 | Very low | 62 Ų | 62 | 146.1 Ų | 146.1 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | -79.9 | 179.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 28 | P | 39.9 | Very low | 37.2 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | -143.9 | 165.8 | 94 | 39.3 | -26.3 | 0 | 0 | 0 | 115.4 | |||||
| 29 | S | 34.6 | Very low | 37.1 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -114.1 | 149.7 | 172.2 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 30 | H | 34.2 | Very low | 36.2 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -40.9 | 149.4 | 176.6 | -62.9 | -102.2 | 0 | 0 | 0 | 116.9 | ||||
| 31 | Q | 35.6 | Very low | 36.2 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | 176.9 | 179.3 | 110.5 | -85.3 | -44.5 | -20 | 0 | 0 | 109.2 | |||||
| 32 | P | 40 | Very low | 36.1 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | -120.3 | 163.4 | -53.1 | 36.3 | -24.5 | 0 | 0 | 0 | 111.8 | |||||
| 33 | Y | 31.9 | Very low | 36 | Very low | 231 Ų | 231 | 150.1 Ų | 150.1 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -89.2 | 135.8 | 164.4 | -84 | -88.2 | 0 | 0 | 0 | 110.8 | ||||
| 34 | P | 43.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -77.7 | 141.4 | 174.6 | 31.5 | -33.9 | 0 | 0 | 0 | 111.8 | S36 | P34-S36 PolarHBondContact O-N 2.74Š| ||
| 35 | T | 35.1 | Very low | 36.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -80.3 | 104.8 | 172.5 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | N37 | T35-N37 PolarHBondContact O-N 3.19Å; T35-N37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | S | 34.1 | Very low | 36.7 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -77.3 | 93.9 | 169 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | P34 | P34-S36 PolarHBondContact O-N 2.74Š| ||
| 37 | N | 33.7 | Very low | 36.7 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 123.2 | 162.6 | -170.1 | 18.6 | 0 | 0 | 0 | 108.2 | T35 | T35-N37 PolarHBondContact O-N 3.19Å; T35-N37 VanDerWaalsContact O-N 3.16Å | ||
| 38 | L | 39.4 | Very low | 37.1 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 109.7 | 178.6 | -156.3 | 149.8 | 0 | 0 | 0 | 110.4 | ||||
| 39 | E | 35.1 | Very low | 36.8 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 135.5 | -178.9 | -167.5 | 142.2 | 76.5 | 0 | 0 | 110.4 | ||||
| 40 | S | 35.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -164 | 105.4 | 173.1 | -75.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 41 | D | 35.3 | Very low | 36.7 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -60.6 | 134.3 | 164.9 | -59.7 | -98.3 | 0 | 0 | 0 | 111.2 | ||||
| 42 | Y | 33.5 | Very low | 36.7 | Very low | 227 Ų | 227 | 142.3 Ų | 142.3 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -155.4 | 124.2 | 136.7 | -135.6 | -95 | 0 | 0 | 0 | 115.9 | ||||
| 43 | Q | 35.3 | Very low | 36.4 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -31.9 | 121.3 | 168.7 | -155.2 | 75.7 | -15.4 | 0 | 0 | 119.5 | ||||
| 44 | G | 34.5 | Very low | 36.9 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 77 | -178.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 45 | P | 48.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | cis | -106.1 | 171.9 | 3.6 | 39.9 | -33.1 | 0 | 0 | 0 | 114.8 | ||||
| 46 | V | 35.8 | Very low | 37.4 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 135.6 | -178.8 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 47 | C | 36.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.3 | 171.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | I49 | C47-I49 PolarHBondContact O-N 3.04Š|
| 48 | P | 47.5 | Very low | 38.3 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 117.3 | -179.7 | 30.4 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 49 | I | 33.8 | Very low | 38.2 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 119.3 | 164.8 | -60.6 | 176.9 | 0 | 0 | 0 | 108.1 | C47 T51 | C47-I49 PolarHBondContact O-N 3.04Å; I49-T51 HydrophobicContact CG2-CG2 4.16Å; I49-T51 PolarHBondContact O-N 3.38Å |
| 50 | Q | 35.1 | Very low | 38.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -78.5 | 104.1 | 170.9 | -72.9 | -172.1 | -1.9 | 0 | 0 | 110.6 | ||||
| 51 | T | 31.6 | Very low | 38.2 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | -103.3 | 109.9 | 163.8 | 52.5 | 0 | 0 | 0 | 0 | 110 | I49 | I49-T51 HydrophobicContact CG2-CG2 4.16Å; I49-T51 PolarHBondContact O-N 3.38Å | ||
| 52 | T | 35.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -87.9 | 114.8 | 171.3 | 49.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 53 | T | 32.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -102.1 | 130.5 | 170.7 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 54 | V | 43.4 | Very low | 38.8 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -128.9 | 144.5 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 55 | R | 40.4 | Very low | 39.1 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -106 | 176.9 | -173.1 | -110.3 | -158.8 | 169.8 | -178.5 | -1.6 | 111.9 | ||||
| 56 | P | 49.2 | Very low | 38.3 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -98.7 | -168 | -146.4 | 42 | -40 | 0 | 0 | 0 | 113.9 | ||||
| 57 | P | 48.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | -136.9 | 134.4 | 112.7 | 38.4 | -28.1 | 0 | 0 | 0 | 116.7 | |||||
| 58 | T | 38.3 | Very low | 38.1 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 54.1 | 123.5 | 136.9 | 60.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 59 | H | 36.6 | Very low | 37.8 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | 97.6 | 138.1 | 127.5 | -94.7 | -66.2 | 0 | 0 | 0 | 122.6 | |||||
| 60 | K | 36.6 | Very low | 38.4 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 75.5 | 143.2 | 171.6 | -51.4 | -156.4 | 172.7 | -171.4 | 0 | 117.6 | ||||
| 61 | D | 33.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | -165.9 | 148.2 | -30.7 | -96.3 | -33.5 | 0 | 0 | 0 | 106 | ||||
| 62 | N | 37.6 | Very low | 38.3 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 62.6 | 157.1 | 171.7 | -62.7 | 11 | 0 | 0 | 0 | 116.4 | ||||
| 63 | D | 37.9 | Very low | 38.2 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -142.8 | 177.2 | -2.9 | -133.8 | -50 | 0 | 0 | 0 | 111.8 | ||||
| 64 | M | 42.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 166.2 | -169.8 | -124 | -67.5 | -174.2 | 0 | 0 | 115.4 | ||||
| 65 | N | 40.3 | Very low | 37.6 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 77.8 | 151.7 | 173.3 | -44.7 | -70.6 | 0 | 0 | 0 | 116.2 | ||||
| 66 | G | 32 | Very low | 37.1 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 146.5 | 124.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 67 | C | 33.2 | Very low | 36.3 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 61.8 | 117.6 | 159.1 | -62 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 68 | M | 35.2 | Very low | 35.7 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 62.6 | 152.9 | 128.1 | -69.7 | -64.6 | 147.7 | 0 | 0 | 123.7 | |||||
| 69 | R | 40.6 | Very low | 35.3 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -29 | 151.8 | 161.7 | -87.4 | 177.3 | 158.4 | -159.2 | -3.6 | 116.5 | ||||
| 70 | P | 46.5 | Very low | 35 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -101.5 | 167.8 | 125.3 | -16.1 | 32.7 | 0 | 0 | 0 | 114.7 | |||||
| 71 | S | 31.5 | Very low | 34.7 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | trans | -153.3 | 168.7 | 165.3 | -67.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 72 | S | 33 | Very low | 34.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 68.9 | 154.6 | -173.3 | 87.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 73 | S | 32.9 | Very low | 34.4 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -157 | -176.1 | -21 | 48.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 74 | Q | 33.3 | Very low | 34.1 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | cis | -169.5 | 164.8 | 24.2 | -151.4 | 171.4 | 63.7 | 0 | 0 | 108.7 | ||||
| 75 | G | 30.1 | Very low | 33.7 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 142.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 76 | N | 30.7 | Very low | 33.6 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | 163.8 | 128.3 | -41.2 | 174.9 | 45.5 | 0 | 0 | 0 | 106.8 | ||||
| 77 | T | 32.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 51.5 | 125.7 | 170.5 | 48.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 78 | Q | 35.8 | Very low | 34.1 | Very low | 198 Ų | 198 | 139 Ų | 139 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | -154.8 | -163 | 61.3 | -126.3 | 172.1 | 34.7 | 0 | 0 | 113.4 | |||||
| 79 | Q | 29.8 | Very low | 35.1 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -132.8 | 127.2 | -149.7 | 177.1 | -174.8 | 11.3 | 0 | 0 | 113.6 | ||||
| 80 | S | 30.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -177.3 | 121.5 | 156.6 | -83.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 81 | S | 30.1 | Very low | 34.8 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | 85 | 110.4 | 63.8 | -172.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 82 | I | 31.8 | Very low | 35 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 47.2 | 125.1 | 148.1 | -51.6 | 170.1 | 0 | 0 | 0 | 117.1 | ||||
| 83 | G | 32.7 | Very low | 35.1 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 111.5 | 87.3 | 14.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 84 | E | 31.3 | Very low | 35.3 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -127.5 | 138.8 | -174.6 | -146.5 | -176.6 | 123 | 0 | 0 | 113 | ||||
| 85 | Q | 33.8 | Very low | 35.7 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -136.1 | 129.5 | 177.5 | -176.5 | -179 | 32.7 | 0 | 0 | 108.1 | Q87 | Q85-Q87 PolarHBondContact O-N 2.92Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å | ||
| 86 | P | 39.6 | Very low | 36.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.1 | -174.3 | -25.8 | 35.2 | 0 | 0 | 0 | 113.2 | ||
| 87 | Q | 35.3 | Very low | 36.4 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 142.8 | -177 | -167.4 | 168.2 | -4.5 | 0 | 0 | 111.9 | Q85 | Q85-Q87 PolarHBondContact O-N 2.92Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å |
| 88 | A | 39.7 | Very low | 36.4 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 151 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 89 | P | 55.5 | Low | 36.3 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 149.8 | -178.9 | 28.9 | -35.8 | 0 | 0 | 0 | 113 | ||
| 90 | P | 46.5 | Very low | 36.4 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 151.8 | -177.3 | 31.4 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 91 | L | 35.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -113.9 | 102.6 | 173.8 | -68.7 | 175.5 | 0 | 0 | 0 | 110.5 | ||||
| 92 | S | 35.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -84.3 | 113.6 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 93 | A | 34.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -104.8 | 98.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 94 | S | 36.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -100 | 109.9 | 173 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | S | 41.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 123.5 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | N97 | S95-N97 PolarHBondContact O-N 3.44Š|
| 96 | P | 41 | Very low | 37.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 116.8 | 167.7 | 30.4 | -30.3 | 0 | 0 | 0 | 109.8 | ||
| 97 | N | 35.2 | Very low | 37.4 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 126.3 | 167.7 | -175.7 | 25.9 | 0 | 0 | 0 | 108.6 | S95 | S95-N97 PolarHBondContact O-N 3.44Š|
| 98 | S | 32.6 | Very low | 37.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -144.2 | 112.2 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 99 | S | 33 | Very low | 38.4 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 128.8 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | T101 | S99-T101 PolarHBondContact O-N 3.28Š| ||
| 100 | N | 31.5 | Very low | 38.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -73.7 | 113 | 169 | -83.2 | -17.2 | 0 | 0 | 0 | 110.7 | ||||
| 101 | T | 34.4 | Very low | 38 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -73.8 | 156.6 | 158.8 | 40.1 | 0 | 0 | 0 | 0 | 110.3 | S99 | S99-T101 PolarHBondContact O-N 3.28Š| ||
| 102 | S | 32.8 | Very low | 38 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -112.3 | 162.5 | -166.7 | 78.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 103 | S | 34.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 74.1 | 108.3 | 150.6 | -51.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 104 | Q | 38.1 | Very low | 38.9 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | -153.4 | 161.6 | 123.8 | -113 | -178.7 | 72.4 | 0 | 0 | 112.2 | |||||
| 105 | K | 39.1 | Very low | 39.4 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -105.6 | 150.7 | -170.7 | -62.8 | 173.1 | 176.4 | 175.1 | 0 | 111.9 | ||||
| 106 | K | 35.6 | Very low | 39.2 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | 175.2 | 140.3 | 116.4 | -93.3 | 157.5 | -172.3 | 176.1 | 0 | 114.3 | |||||
| 107 | K | 36.4 | Very low | 39.6 | Very low | 208 Ų | 208 | 139 Ų | 139 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | 38.6 | 133 | 149 | -61.9 | -170.9 | 173.8 | -171.9 | 0 | 122.2 | ||||
| 108 | S | 38.5 | Very low | 40.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -93.1 | -171.4 | 160.9 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 109 | P | 57.5 | Low | 40.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | cis | -128.2 | -150.8 | -3 | 46.9 | -29.5 | 0 | 0 | 0 | 110.8 | ||||
| 110 | P | 54.6 | Low | 42 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -130 | 179.2 | -14.9 | 41.6 | -25.1 | 0 | 0 | 0 | 115.4 | ||||
| 111 | N | 39.7 | Very low | 43.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 24.9 | 115.7 | 152.4 | -59.9 | 0.4 | 0 | 0 | 0 | 120.6 | ||||
| 112 | N | 35.3 | Very low | 44.4 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | -151.2 | 153.9 | 121 | -147 | -17 | 0 | 0 | 0 | 111.6 | |||||
| 113 | A | 48.4 | Very low | 46.1 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 126.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 114 | S | 39.9 | Very low | 48.1 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -152.8 | 141.4 | 167.3 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | T116 | S114-T116 PolarHBondContact O-N 2.9Å; S114-T116 VanDerWaalsContact O-N 3.13Å | ||
| 115 | N | 47.4 | Very low | 50.3 | Low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 103.6 | -179.2 | -72.1 | -46 | 0 | 0 | 0 | 110.2 | A117 | N115-A117 VanDerWaalsContact C-N 3.27Å; N115-A117 PolarHBondContact O-N 2.95Å | ||
| 116 | T | 37.9 | Very low | 52.4 | Low | 126 Ų | 126 | 131.6 Ų | 131.6 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -74.4 | 80.8 | 171.8 | 39 | 0 | 0 | 0 | 0 | 110.7 | S114 T118 | S114-T116 PolarHBondContact O-N 2.9Å; S114-T116 VanDerWaalsContact O-N 3.13Å; T116-T118 PolarHBondContact O-N 3.12Å | ||
| 117 | A | 49 | Very low | 54.7 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -53.1 | 112.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | N115 | N115-A117 VanDerWaalsContact C-N 3.27Å; N115-A117 PolarHBondContact O-N 2.95Å | ||
| 118 | T | 48.2 | Very low | 57 | Low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -63.9 | 133.2 | -178 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | T116 V120 | T116-T118 PolarHBondContact O-N 3.12Å; T118-V120 PolarHBondContact O-N 3.39Å | ||
| 119 | P | 46.8 | Very low | 59.2 | Low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | trans | -64 | 111.3 | -178.8 | 25 | -33 | 0 | 0 | 0 | 108.7 | I121 | P119-I121 PolarHBondContact O-N 3.22Š| ||
| 120 | V | 56.6 | Low | 60.2 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 89 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | T118 N122 | T118-V120 PolarHBondContact O-N 3.39Å; V120-N122 PolarHBondContact O-N 3.38Å | ||
| 121 | I | 57.8 | Low | 60.9 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 62% | 0.621 | 69% | 0.688 | S | S | * | * | trans | -59.5 | 109.1 | 177.6 | -51.8 | 178.8 | 0 | 0 | 0 | 106.7 | P119 K123 | P119-I121 PolarHBondContact O-N 3.22Å; I121-K123 HydrophobicContact CB-CG 4.17Å; I121-K123 HydrophobicContact CG2-CD 4.38Å; I121-K123 HydrophobicContact CG2-CG 3.6Å; I121-K123 PolarHBondContact O-N 2.79Å | ||
| 122 | N | 59 | Low | 62.1 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | trans | -77.6 | 62.2 | -174 | -137.4 | -11.7 | 0 | 0 | 0 | 109.8 | V120 Q124 | V120-N122 PolarHBondContact O-N 3.38Å; N122-Q124 PolarHBondContact O-N 3.02Å | ||
| 123 | K | 68.3 | Low | 63.2 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 64% | 0.635 | 66% | 0.661 | S | S | * | * | trans | -65.3 | 104.8 | -177.5 | -65.3 | -170.5 | -179.7 | -174.1 | 0 | 108.1 | I121 I125 | I121-K123 HydrophobicContact CB-CG 4.17Å; I121-K123 HydrophobicContact CG2-CD 4.38Å; I121-K123 HydrophobicContact CG2-CG 3.6Å; I121-K123 PolarHBondContact O-N 2.79Å; K123-I125 VanDerWaalsContact O-CG1 3.3Å; K123-I125 WeakPolarHBondContact O-CG1 3.03Å; K123-I125 PolarHBondContact O-N 3.24Å | ||
| 124 | Q | 76.5 | Confident | 63.6 | Low | 157 Ų | 157 | 121.7 Ų | 121.7 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | trans | -48.7 | 107.9 | 179.8 | -68.8 | -66 | -10.8 | 0 | 0 | 110.7 | N122 F126 | N122-Q124 PolarHBondContact O-N 3.02Å; Q124-F126 PolarHBondContact O-N 2.69Å | ||
| 125 | I | 83.2 | Confident | 64.3 | Low | 68 Ų | 68 | 120.3 Ų | 120.3 | 35% | 0.349 | 64% | 0.636 | S | S | . | * | trans | -82.6 | 92.9 | -177.3 | -51.1 | 177 | 0 | 0 | 0 | 107.4 | K123 M129 K130 | K123-I125 VanDerWaalsContact O-CG1 3.3Å; K123-I125 WeakPolarHBondContact O-CG1 3.03Å; K123-I125 PolarHBondContact O-N 3.24Å; I125-M129 HydrophobicContact CG2-CB 3.92Å; I125-M129 HydrophobicContact CG2-CG 4.27Å; I125-M129 HydrophobicContact CG2-SD 4.44Å; I125-K130 HydrophobicContact CB-CG 4.37Å; I125-K130 HydrophobicContact CG2-CB 4.48Å; I125-K130 HydrophobicContact CG2-CG 3.65Å; I125-K130 WeakPolarHBondContact O-CE 3.43Å | ||
| 126 | F | 83.9 | Confident | 64.7 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 54% | 0.544 | 62% | 0.622 | S | S | . | * | trans | -48.2 | 144.6 | 173 | -62.5 | -76.7 | 0 | 0 | 0 | 111.1 | Q124 W128 M129 | Q124-F126 PolarHBondContact O-N 2.69Å; F126-W128 VanDerWaalsContact C-N 3.29Å; F126-W128 PolarHBondContact O-N 2.71Å; F126-W128 VanDerWaalsContact O-N 3.11Å; F126-M129 WeakPolarHBondContact O-CB 3.47Å; F126-M129 PolarHBondContact O-N 3.16Å | ||
| 127 | P | 84 | Confident | 65.4 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -49.3 | -44.5 | -172 | -31 | 36.2 | 0 | 0 | 0 | 114.6 | M129 K130 | P127-M129 PolarHBondContact O-N 3.31Å; P127-K130 WeakPolarHBondContact O-CB 3.37Å; P127-K130 PolarHBondContact O-N 3.21Å; P127-K130 VanDerWaalsContact O-N 3.15Å |
| 128 | W | 84.3 | Confident | 65.5 | Low | 193 Ų | 193 | 122 Ų | 122 | 73% | 0.731 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.9 | -22.4 | 178.4 | 68.1 | -98.4 | 0 | 0 | 0 | 114.6 | F126 | F126-W128 VanDerWaalsContact C-N 3.29Å; F126-W128 PolarHBondContact O-N 2.71Å; F126-W128 VanDerWaalsContact O-N 3.11Å |
| 129 | M | 85.1 | Confident | 65.4 | Low | 49 Ų | 49 | 123.7 Ų | 123.7 | 24% | 0.241 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -89.3 | -12.7 | -179.6 | -163.9 | -171.9 | -65.8 | 0 | 0 | 112.7 | I125 F126 P127 R133 | I125-M129 HydrophobicContact CG2-CB 3.92Å; I125-M129 HydrophobicContact CG2-CG 4.27Å; I125-M129 HydrophobicContact CG2-SD 4.44Å; F126-M129 WeakPolarHBondContact O-CB 3.47Å; F126-M129 PolarHBondContact O-N 3.16Å; P127-M129 PolarHBondContact O-N 3.31Å; M129-R133 PolarHBondContact SD-NH2 3.42Å; M129-R133 VanDerWaalsContact SD-NH2 3.38Å |
| 130 | K | 78.6 | Confident | 65.1 | Low | 127 Ų | 127 | 123 Ų | 123 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.9 | -37.8 | -176.6 | -63.9 | -175.8 | -179.9 | -175.9 | 0 | 112.3 | I125 P127 T132 R133 S134 | I125-K130 HydrophobicContact CB-CG 4.37Å; I125-K130 HydrophobicContact CG2-CB 4.48Å; I125-K130 HydrophobicContact CG2-CG 3.65Å; I125-K130 WeakPolarHBondContact O-CE 3.43Å; P127-K130 WeakPolarHBondContact O-CB 3.37Å; P127-K130 PolarHBondContact O-N 3.21Å; P127-K130 VanDerWaalsContact O-N 3.15Å; K130-T132 VanDerWaalsContact C-N 3.28Å; K130-T132 PolarHBondContact O-N 3.43Å; K130-R133 PolarHBondContact O-N 3.39Å; K130-S134 PolarHBondContact O-N 3.23Å |
| 131 | E | 69.6 | Low | 64.5 | Low | 147 Ų | 147 | 123.7 Ų | 123.7 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.5 | -21.1 | -172.8 | -164.4 | 168.5 | -158.1 | 0 | 0 | 114.7 | K165 | E131-K165 PolarHBondContact O-NZ 2.86Å; E131-K165 VanDerWaalsContact O-NZ 3.12Å |
| 132 | T | 63.6 | Low | 63.7 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.5 | -36.9 | 173.9 | -48.7 | 0 | 0 | 0 | 0 | 112 | K130 | K130-T132 VanDerWaalsContact C-N 3.28Å; K130-T132 PolarHBondContact O-N 3.43Å |
| 133 | R | 59.8 | Low | 63.1 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 51% | 0.506 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -79.7 | -35.3 | -167.7 | -70.9 | 177 | 177.6 | -96.3 | 0.6 | 113.8 | M129 K130 N135 A136 | M129-R133 PolarHBondContact SD-NH2 3.42Å; M129-R133 VanDerWaalsContact SD-NH2 3.38Å; K130-R133 PolarHBondContact O-N 3.39Å; R133-N135 PolarHBondContact O-N 2.73Å; R133-N135 VanDerWaalsContact O-N 3.16Å; R133-A136 PolarHBondContact O-N 2.91Å |
| 134 | S | 57.3 | Low | 62.1 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -28.9 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | K130 | K130-S134 PolarHBondContact O-N 3.23Š|
| 135 | N | 52.7 | Low | 60.4 | Low | 72 Ų | 72 | 119 Ų | 119 | 39% | 0.385 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -11.5 | -174.5 | -146 | 106.5 | 0 | 0 | 0 | 114.7 | R133 K165 | R133-N135 PolarHBondContact O-N 2.73Å; R133-N135 VanDerWaalsContact O-N 3.16Å; N135-K165 WeakPolarHBondContact OD1-CD 3.34Å; N135-K165 WeakPolarHBondContact OD1-CE 3.43Å; N135-K165 PolarHBondContact OD1-NZ 3.42Å |
| 136 | A | 57.3 | Low | 58.2 | Low | 73 Ų | 73 | 121.4 Ų | 121.4 | 60% | 0.603 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -40 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R133 Q138 K139 | R133-A136 PolarHBondContact O-N 2.91Å; A136-Q138 VanDerWaalsContact C-N 3.29Å; A136-Q138 PolarHBondContact O-N 2.82Å; A136-K139 PolarHBondContact O-N 3.44Å |
| 137 | K | 51.1 | Low | 55.6 | Low | 199 Ų | 199 | 121.2 Ų | 121.2 | 87% | 0.865 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -12.2 | -168.6 | -154.6 | 168.4 | -176.6 | -179.3 | 0 | 114.6 | ||
| 138 | Q | 52.1 | Low | 53.4 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -8.1 | 174.3 | -72.3 | -168.5 | -42.6 | 0 | 0 | 114.5 | A136 S140 | A136-Q138 VanDerWaalsContact C-N 3.29Å; A136-Q138 PolarHBondContact O-N 2.82Å; Q138-S140 PolarHBondContact O-N 2.77Å |
| 139 | K | 45 | Very low | 51.2 | Low | 152 Ų | 152 | 117.5 Ų | 117.5 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 2 | -175.3 | -169.6 | 46.1 | -172.8 | 160.2 | 0 | 114.7 | A136 | A136-K139 PolarHBondContact O-N 3.44Š|
| 140 | S | 42.4 | Very low | 48.8 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -34.3 | 179.4 | -164.6 | 0 | 0 | 0 | 0 | 113.9 | Q138 | Q138-S140 PolarHBondContact O-N 2.77Š|
| 141 | N | 42.2 | Very low | 47 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -119.7 | 66.2 | -172.8 | -73.3 | 33.1 | 0 | 0 | 0 | 111.2 | ||
| 142 | S | 42.4 | Very low | 45.6 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -156.2 | 83.8 | 164.4 | -73.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 143 | S | 46.2 | Very low | 44.7 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | trans | -122.7 | 128.9 | 166.4 | 51.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 144 | N | 46.8 | Very low | 43.7 | Very low | 155 Ų | 155 | 124 Ų | 124 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | 69.8 | 154.6 | -179.1 | -40.5 | -21.8 | 0 | 0 | 0 | 113 | ||||
| 145 | N | 41.4 | Very low | 43.2 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -130 | 167.4 | 2.6 | -159.3 | 36.7 | 0 | 0 | 0 | 112.6 | ||||
| 146 | C | 36.7 | Very low | 42.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -120.3 | 114 | 167.1 | -179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 147 | T | 29.6 | Very low | 42.7 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -148.6 | 140 | 174.3 | 28.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 148 | T | 36.9 | Very low | 42.7 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -89.4 | 176.7 | 172.9 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 149 | A | 38.2 | Very low | 42.8 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | 96.8 | 120.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 150 | E | 35.8 | Very low | 43.4 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 27.2 | 133.9 | 148.6 | -27.2 | -49.5 | 95.2 | 0 | 0 | 120.7 | ||||
| 151 | G | 40.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 124.3 | 131.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 152 | E | 38.4 | Very low | 44.3 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 97% | 0.967 | 78% | 0.778 | S | S | * | * | trans | 74.6 | 166.3 | 147.8 | -47.7 | -145.5 | 136.1 | 0 | 0 | 120.2 | ||||
| 153 | S | 45.9 | Very low | 45 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -107.9 | 141.3 | -154.8 | -177.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 154 | C | 37.7 | Very low | 45.7 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -143.2 | 80.2 | 165.9 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | E156 | C154-E156 PolarHBondContact O-N 2.96Š| ||
| 155 | D | 46.4 | Very low | 46.8 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -80.4 | 93.8 | 169 | -148.6 | -41.4 | 0 | 0 | 0 | 109.3 | ||||
| 156 | E | 47.8 | Very low | 48.6 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -137.8 | 128.5 | 174.7 | -179.4 | 65.3 | 112.8 | 0 | 0 | 109.8 | C154 S158 | C154-E156 PolarHBondContact O-N 2.96Å; E156-S158 PolarHBondContact O-N 3.11Å | ||
| 157 | K | 52.4 | Low | 51 | Low | 192 Ų | 192 | 131 Ų | 131 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 115.6 | -170.1 | -85.5 | 179.2 | 176.8 | 170.5 | 0 | 111.9 | ||||
| 158 | S | 50.3 | Low | 53.9 | Low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -140.8 | 123.9 | 160 | -84.2 | 0 | 0 | 0 | 0 | 111.5 | E156 | E156-S158 PolarHBondContact O-N 3.11Š| ||
| 159 | P | 55.3 | Low | 56.5 | Low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -61.1 | 131 | 174.9 | -22 | 33.1 | 0 | 0 | 0 | 110.8 | G161 | P159-G161 PolarHBondContact O-N 3.38Š| ||
| 160 | P | 56.6 | Low | 59.3 | Low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 105 | 179.3 | 25.8 | -33.4 | 0 | 0 | 0 | 110.2 | ||||
| 161 | G | 47.5 | Very low | 62.3 | Low | 49 Ų | 49 | 130.1 Ų | 130.1 | 51% | 0.505 | 74% | 0.744 | S | S | . | * | trans | -57.8 | 149.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P159 A163 | P159-G161 PolarHBondContact O-N 3.38Å; G161-A163 PolarHBondContact O-N 3.1Å | ||
| 162 | P | 56.3 | Low | 65 | Low | 148 Ų | 148 | 130.6 Ų | 130.6 | 96% | 0.961 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 23.6 | -166.2 | 30.7 | -38 | 0 | 0 | 0 | 115.5 | ||
| 163 | A | 57.1 | Low | 67.8 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 52% | 0.521 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | 1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G161 K165 | G161-A163 PolarHBondContact O-N 3.1Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 2.98Å |
| 164 | S | 60.8 | Low | 70.3 | Confident | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -69.4 | 85.2 | 178.2 | -170 | 0 | 0 | 0 | 0 | 111.7 | R166 | S164-R166 PolarHBondContact O-N 2.69Š| ||
| 165 | K | 71.3 | Confident | 73.2 | Confident | 117 Ų | 117 | 119 Ų | 119 | 51% | 0.509 | 68% | 0.677 | S | S | . | * | trans | -69.4 | 97.7 | 177.3 | -68.2 | -159.6 | -179.6 | 175.3 | 0 | 109.7 | E131 N135 A163 V167 | E131-K165 PolarHBondContact O-NZ 2.86Å; E131-K165 VanDerWaalsContact O-NZ 3.12Å; N135-K165 WeakPolarHBondContact OD1-CD 3.34Å; N135-K165 WeakPolarHBondContact OD1-CE 3.43Å; N135-K165 PolarHBondContact OD1-NZ 3.42Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 2.98Å; K165-V167 PolarHBondContact O-N 3.25Å; K165-V167 VanDerWaalsContact O-N 3.08Å | ||
| 166 | R | 78.8 | Confident | 75.7 | Confident | 219 Ų | 219 | 114.7 Ų | 114.7 | 83% | 0.826 | 65% | 0.654 | S | S | * | * | trans | -38.6 | 110.9 | -178.7 | -158.3 | -176.2 | -51.5 | -154.3 | 3.1 | 112 | S164 | S164-R166 PolarHBondContact O-N 2.69Š| ||
| 167 | V | 87 | Confident | 78.1 | Confident | 129 Ų | 129 | 110.8 Ų | 110.8 | 78% | 0.782 | 64% | 0.641 | S | S | * | * | trans | -57.2 | 139.1 | -177.6 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | K165 T169 | K165-V167 PolarHBondContact O-N 3.25Å; K165-V167 VanDerWaalsContact O-N 3.08Å; V167-T169 PolarHBondContact O-N 3.49Å | ||
| 168 | R | 90.2 | Very high | 80.3 | Confident | 241 Ų | 241 | 104.1 Ų | 104.1 | 91% | 0.909 | 61% | 0.613 | S | S | * | * | trans | -86.1 | 101.4 | 176.9 | -69.3 | -173.6 | 177 | -144.5 | 1.3 | 110.2 | ||||
| 169 | T | 92.4 | Very high | 82.6 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 69% | 0.693 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131.5 | 166.1 | -37.5 | 0 | 0 | 0 | 0 | 109.8 | V167 | V167-T169 PolarHBondContact O-N 3.49Š|
| 170 | A | 95.9 | Very high | 84.7 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 72% | 0.719 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 153.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 171 | Y | 98.2 | Very high | 86.7 | Confident | 65 Ų | 65 | 95.8 Ų | 95.8 | 26% | 0.255 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 146.8 | 169.9 | -56.9 | -61.9 | 0 | 0 | 0 | 109.8 | L176 L203 Q207 W211 | Y171-L176 HydrophobicContact CD2-CD2 4.26Å; Y171-L203 HydrophobicContact CD1-CD1 3.78Å; Y171-L203 HydrophobicContact CD1-CD2 3.82Å; Y171-L203 HydrophobicContact CD1-CG 4.49Å; Y171-L203 HydrophobicContact CE1-CD1 3.79Å; Y171-L203 HydrophobicContact CE1-CD2 3.75Å; Y171-L203 HydrophobicContact CE1-CG 4.43Å; Y171-Q207 HydrophobicContact CE1-CB 4.23Å; Y171-Q207 HydrophobicContact CE1-CG 4.37Å; Y171-Q207 WeakPolarHBondContact OH-CB 3.48Å; Y171-W211 AromaticContact CD2-CD1 3.91Å; Y171-W211 AromaticContact CE2-CD1 3.75Å |
| 172 | T | 98.5 | Very high | 89.1 | Confident | 80 Ų | 80 | 94 Ų | 94 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 162 | 176.7 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | A174 Q175 L176 | T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 2.95Å; T172-Q175 PolarHBondContact O-N 3.24Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.28Å; T172-Q175 PolarHBondContact OG1-N 2.88Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 2.73Å |
| 173 | S | 98.4 | Very high | 91.1 | Very high | 96 Ų | 96 | 87 Ų | 87 | 67% | 0.671 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.3 | -46 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | Q175 L176 V177 | S173-Q175 PolarHBondContact O-N 3.43Å; S173-L176 PolarHBondContact O-N 2.92Å; S173-L176 VanDerWaalsContact O-N 3.11Å; S173-V177 WeakPolarHBondContact O-CG2 3.49Å; S173-V177 PolarHBondContact O-N 2.93Å |
| 174 | A | 98.2 | Very high | 93.1 | Very high | 71 Ų | 71 | 89.4 Ų | 89.4 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T172 L176 V177 E178 | T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 2.95Å; A174-L176 VanDerWaalsContact C-N 3.31Å; A174-L176 PolarHBondContact O-N 2.73Å; A174-V177 PolarHBondContact O-N 2.71Å; A174-E178 PolarHBondContact O-N 3.41Å; A174-E178 VanDerWaalsContact O-N 3.16Å |
| 175 | Q | 98.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 91.7 Ų | 91.7 | 15% | 0.145 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 173.7 | -75.6 | 172.9 | -23 | 0 | 0 | 111.8 | T172 S173 L179 L201 L203 | T172-Q175 PolarHBondContact O-N 3.24Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.28Å; T172-Q175 PolarHBondContact OG1-N 2.88Å; S173-Q175 PolarHBondContact O-N 3.43Å; Q175-L179 WeakPolarHBondContact O-CB 3.34Å; Q175-L179 VanDerWaalsContact O-CD1 3.3Å; Q175-L179 WeakPolarHBondContact O-CD1 3.42Å; Q175-L179 WeakPolarHBondContact O-CG 3.15Å; Q175-L179 PolarHBondContact O-N 3.02Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; Q175-L201 HydrophobicContact CG-CB 4.37Å; Q175-L201 PolarHBondContact NE2-O 2.87Å; Q175-L203 HydrophobicContact CG-CD1 4.5Å |
| 176 | L | 98.5 | Very high | 96.1 | Very high | 69 Ų | 69 | 89.5 Ų | 89.5 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 177.7 | -67.5 | 174.6 | 0 | 0 | 0 | 112.2 | Y171 T172 S173 A174 L179 E180 | Y171-L176 HydrophobicContact CD2-CD2 4.26Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 2.73Å; S173-L176 PolarHBondContact O-N 2.92Å; S173-L176 VanDerWaalsContact O-N 3.11Å; A174-L176 VanDerWaalsContact C-N 3.31Å; A174-L176 PolarHBondContact O-N 2.73Å; L176-L179 PolarHBondContact O-N 3.19Å; L176-E180 WeakPolarHBondContact O-CB 3.19Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.31Å |
| 177 | V | 98.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 82.6 Ų | 82.6 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | S173 A174 E180 K181 | S173-V177 WeakPolarHBondContact O-CG2 3.49Å; S173-V177 PolarHBondContact O-N 2.93Å; A174-V177 PolarHBondContact O-N 2.71Å; V177-E180 PolarHBondContact O-N 2.85Å; V177-K181 VanDerWaalsContact O-CB 3.3Å; V177-K181 WeakPolarHBondContact O-CB 3.45Å; V177-K181 PolarHBondContact O-N 3.1Å |
| 178 | E | 98.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 83.7 Ų | 83.7 | 24% | 0.238 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 178.5 | -72.8 | -64.4 | 127 | 0 | 0 | 112.3 | A174 K181 E182 L200 L201 | A174-E178 PolarHBondContact O-N 3.41Å; A174-E178 VanDerWaalsContact O-N 3.16Å; E178-K181 PolarHBondContact O-N 3.39Å; E178-K181 VanDerWaalsContact OE1-CD 3.28Å; E178-K181 WeakPolarHBondContact OE1-CD 3.11Å; E178-K181 IonicContact OE1-NZ 3.74Å; E178-K181 PolarHBondContact OE1-NZ 3.03Å; E178-K181 WeakPolarHBondContact OE2-CD 3.48Å; E178-K181 IonicContact OE2-NZ 2.74Å; E178-K181 PolarHBondContact OE2-NZ 3.1Å; E178-E182 WeakPolarHBondContact O-CB 3.27Å; E178-E182 PolarHBondContact O-N 3.11Å; E178-L200 HydrophobicContact CG-CD2 4.49Å; E178-L201 HydrophobicContact CB-CD2 3.64Å; E178-L201 HydrophobicContact CG-CD2 4.17Å |
| 179 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 172.5 | -73.3 | 167.2 | 0 | 0 | 0 | 112.7 | Q175 L176 F183 L201 L203 I208 W211 F212 | Q175-L179 WeakPolarHBondContact O-CB 3.34Å; Q175-L179 VanDerWaalsContact O-CD1 3.3Å; Q175-L179 WeakPolarHBondContact O-CD1 3.42Å; Q175-L179 WeakPolarHBondContact O-CG 3.15Å; Q175-L179 PolarHBondContact O-N 3.02Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; L176-L179 PolarHBondContact O-N 3.19Å; L179-F183 WeakPolarHBondContact O-CB 3.31Å; L179-F183 PolarHBondContact O-N 3.17Å; L179-L201 HydrophobicContact CD1-CD1 4.34Å; L179-L201 HydrophobicContact CD2-CD1 3.74Å; L179-L201 HydrophobicContact CG-CD1 3.66Å; L179-L203 HydrophobicContact CD1-CD1 4.26Å; L179-I208 HydrophobicContact CD2-CD1 3.87Å; L179-W211 VanDerWaalsContact C-CH2 3.47Å; L179-W211 HydrophobicContact CB-CD2 3.96Å; L179-W211 HydrophobicContact CB-CE3 3.97Å; L179-W211 HydrophobicContact CB-CH2 3.69Å; L179-W211 HydrophobicContact CB-CZ2 3.65Å; L179-W211 HydrophobicContact CB-CZ3 3.84Å; L179-W211 HydrophobicContact CD1-CD2 3.95Å; L179-W211 HydrophobicContact CD1-CG 3.89Å; L179-W211 HydrophobicContact CD2-CD2 4.33Å; L179-W211 HydrophobicContact CD2-CE3 4.22Å; L179-W211 HydrophobicContact CG-CD2 4.3Å; L179-W211 HydrophobicContact CG-CE3 4.49Å; L179-W211 WeakPolarHBondContact O-CH2 3.29Å; L179-W211 WeakPolarHBondContact O-CZ3 3.48Å; L179-F212 HydrophobicContact CD2-CD2 4.45Å; L179-F212 HydrophobicContact CD2-CE2 3.9Å |
| 180 | E | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 173.2 | -71.1 | -86.7 | 137.9 | 0 | 0 | 110.8 | L176 V177 F183 H184 W211 R215 | L176-E180 WeakPolarHBondContact O-CB 3.19Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.31Å; V177-E180 PolarHBondContact O-N 2.85Å; E180-F183 WeakPolarHBondContact O-CB 3.38Å; E180-F183 PolarHBondContact O-N 2.84Å; E180-H184 PolarHBondContact O-N 3.29Å; E180-H184 PolarHBondContact O-ND1 3.08Å; E180-H184 IonicContact OE2-CE1 3.5Å; E180-W211 HydrophobicContact CG-CH2 4.37Å; E180-W211 HydrophobicContact CG-CZ2 4.35Å; E180-R215 VanDerWaalsContact CD-NH2 3.29Å; E180-R215 IonicContact OE1-CZ 3.29Å; E180-R215 VanDerWaalsContact OE1-CZ 3.26Å; E180-R215 IonicContact OE1-NE 3.85Å; E180-R215 PolarHBondContact OE1-NE 3.44Å; E180-R215 IonicContact OE1-NH2 3.17Å; E180-R215 PolarHBondContact OE1-NH2 3.43Å; E180-R215 IonicContact OE2-CZ 3.26Å; E180-R215 IonicContact OE2-NE 2.67Å; E180-R215 IonicContact OE2-NH2 2.77Å; E180-R215 PolarHBondContact OE2-NH2 3.39Å |
| 181 | K | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 73.8 Ų | 73.8 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.2 | -52 | 177.8 | 170.7 | -172.9 | 169.2 | -160.1 | 0 | 111.7 | V177 E178 F183 H184 F185 | V177-K181 VanDerWaalsContact O-CB 3.3Å; V177-K181 WeakPolarHBondContact O-CB 3.45Å; V177-K181 PolarHBondContact O-N 3.1Å; E178-K181 PolarHBondContact O-N 3.39Å; E178-K181 VanDerWaalsContact OE1-CD 3.28Å; E178-K181 WeakPolarHBondContact OE1-CD 3.11Å; E178-K181 IonicContact OE1-NZ 3.74Å; E178-K181 PolarHBondContact OE1-NZ 3.03Å; E178-K181 WeakPolarHBondContact OE2-CD 3.48Å; E178-K181 IonicContact OE2-NZ 2.74Å; E178-K181 PolarHBondContact OE2-NZ 3.1Å; K181-F183 VanDerWaalsContact C-N 3.31Å; K181-F183 PolarHBondContact O-N 3.17Å; K181-H184 PolarHBondContact O-N 3.25Å; K181-H184 VanDerWaalsContact O-N 3.1Å; K181-F185 PolarHBondContact O-N 3.27Å; K181-F185 VanDerWaalsContact O-N 3.08Å |
| 182 | E | 98.5 | Very high | 98.4 | Very high | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 176.9 | -174.1 | 67.6 | -167.4 | 0 | 0 | 111.7 | E178 H184 F185 N186 L189 R193 M197 F212 | E178-E182 WeakPolarHBondContact O-CB 3.27Å; E178-E182 PolarHBondContact O-N 3.11Å; E182-H184 VanDerWaalsContact C-N 3.32Å; E182-H184 PolarHBondContact O-N 2.94Å; E182-F185 PolarHBondContact O-N 3.39Å; E182-N186 PolarHBondContact O-N 3.39Å; E182-L189 HydrophobicContact CG-CD2 3.86Å; E182-R193 VanDerWaalsContact OE1-CG 3.31Å; E182-R193 WeakPolarHBondContact OE1-CG 3.48Å; E182-R193 IonicContact OE1-CZ 3.64Å; E182-R193 IonicContact OE1-NE 2.71Å; E182-R193 PolarHBondContact OE1-NE 3.22Å; E182-R193 IonicContact OE1-NH2 2.69Å; E182-R193 IonicContact OE2-CZ 2.71Å; E182-R193 IonicContact OE2-NE 2.73Å; E182-R193 PolarHBondContact OE2-NE 2.92Å; E182-R193 IonicContact OE2-NH2 3.64Å; E182-R193 PolarHBondContact OE2-NH2 3.11Å; E182-M197 HydrophobicContact CB-SD 3.94Å; E182-M197 HydrophobicContact CG-CG 4.05Å; E182-M197 HydrophobicContact CG-SD 3.75Å; E182-F212 HydrophobicContact CB-CZ 4.25Å; E182-F212 HydrophobicContact CG-CZ 3.99Å |
| 183 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -28.9 | 174.2 | -179.7 | -99.7 | 0 | 0 | 0 | 113.6 | L179 E180 K181 N186 R187 W211 F212 R215 R216 Y219 | L179-F183 WeakPolarHBondContact O-CB 3.31Å; L179-F183 PolarHBondContact O-N 3.17Å; E180-F183 WeakPolarHBondContact O-CB 3.38Å; E180-F183 PolarHBondContact O-N 2.84Å; K181-F183 VanDerWaalsContact C-N 3.31Å; K181-F183 PolarHBondContact O-N 3.17Å; F183-N186 CarbonylContact O-C 3.41Å; F183-R187 HydrophobicContact CE2-CB 4.17Å; F183-R187 HydrophobicContact CE2-CG 4.48Å; F183-R187 WeakPolarHBondContact O-CD 3.45Å; F183-R187 PolarHBondContact O-NE 3.24Å; F183-W211 HydrophobicContact CB-CH2 4.31Å; F183-W211 HydrophobicContact CB-CZ3 3.99Å; F183-W211 HydrophobicContact CG-CZ3 4.38Å; F183-F212 HydrophobicContact CB-CE1 4.02Å; F183-F212 HydrophobicContact CB-CZ 4.16Å; F183-F212 AromaticContact CD2-CD1 3.95Å; F183-F212 HydrophobicContact CD2-CD1 3.95Å; F183-F212 AromaticContact CD2-CE1 3.88Å; F183-F212 HydrophobicContact CD2-CE1 3.88Å; F183-F212 HydrophobicContact CG-CE1 4.47Å; F183-R215 HydrophobicContact CD1-CG 3.66Å; F183-R215 HydrophobicContact CD2-CB 4.22Å; F183-R215 HydrophobicContact CD2-CG 3.85Å; F183-R215 HydrophobicContact CE1-CG 3.66Å; F183-R215 HydrophobicContact CE2-CB 4.13Å; F183-R215 HydrophobicContact CE2-CG 3.86Å; F183-R215 HydrophobicContact CG-CG 3.75Å; F183-R215 HydrophobicContact CZ-CB 4.38Å; F183-R215 HydrophobicContact CZ-CG 3.76Å; F183-R216 HydrophobicContact CE2-CG 3.79Å; F183-R216 HydrophobicContact CZ-CG 4.37Å; F183-Y219 HydrophobicContact CE1-CD2 4.12Å; F183-Y219 HydrophobicContact CE1-CG 4.39Å; F183-Y219 HydrophobicContact CZ-CD2 4.41Å; F183-Y219 HydrophobicContact CZ-CG 4.23Å |
| 184 | H | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 172.3 | -73.6 | 89.7 | 0 | 0 | 0 | 111.3 | E180 K181 E182 | E180-H184 PolarHBondContact O-N 3.29Å; E180-H184 PolarHBondContact O-ND1 3.08Å; E180-H184 IonicContact OE2-CE1 3.5Å; K181-H184 PolarHBondContact O-N 3.25Å; K181-H184 VanDerWaalsContact O-N 3.1Å; E182-H184 VanDerWaalsContact C-N 3.32Å; E182-H184 PolarHBondContact O-N 2.94Å |
| 185 | F | 98.3 | Very high | 98.4 | Very high | 165 Ų | 165 | 71.2 Ų | 71.2 | 72% | 0.724 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.4 | -50.8 | 173.7 | 179.9 | -108.9 | 0 | 0 | 0 | 112.5 | K181 E182 | K181-F185 PolarHBondContact O-N 3.27Å; K181-F185 VanDerWaalsContact O-N 3.08Å; E182-F185 PolarHBondContact O-N 3.39Å |
| 186 | N | 97.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 73.9 Ų | 73.9 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | trans | -144.5 | 125.5 | 176.1 | -173.1 | -11 | 0 | 0 | 0 | 112.2 | E182 F183 Y188 | E182-N186 PolarHBondContact O-N 3.39Å; F183-N186 CarbonylContact O-C 3.41Å; N186-Y188 PolarHBondContact ND2-O 3.43Å; N186-Y188 PolarHBondContact O-N 2.94Å; N186-Y188 PolarHBondContact OD1-N 2.84Å; N186-Y188 PolarHBondContact OD1-O 3.46Å | ||
| 187 | R | 97.9 | Very high | 98.4 | Very high | 74 Ų | 74 | 70.8 Ų | 70.8 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -71.1 | -13.2 | -179.7 | -55.3 | -68.5 | 152.2 | 81.8 | 5.9 | 113.7 | F183 R216 Y219 | F183-R187 HydrophobicContact CE2-CB 4.17Å; F183-R187 HydrophobicContact CE2-CG 4.48Å; F183-R187 WeakPolarHBondContact O-CD 3.45Å; F183-R187 PolarHBondContact O-NE 3.24Å; R187-R216 WeakPolarHBondContact O-CD 3.36Å; R187-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R187-Y219 PolarHBondContact NH1-OH 3.4Å; R187-Y219 VanDerWaalsContact NH1-OH 3.1Å |
| 188 | Y | 98.4 | Very high | 98.4 | Very high | 153 Ų | 153 | 67.1 Ų | 67.1 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -139.7 | 111.4 | -174.2 | -65.1 | -100.2 | 0 | 0 | 0 | 112.2 | N186 R216 | N186-Y188 PolarHBondContact ND2-O 3.43Å; N186-Y188 PolarHBondContact O-N 2.94Å; N186-Y188 PolarHBondContact OD1-N 2.84Å; N186-Y188 PolarHBondContact OD1-O 3.46Å; Y188-R216 VanDerWaalsContact CE1-NH1 3.32Å |
| 189 | L | 98.3 | Very high | 98.4 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | trans | -82.2 | 123.4 | 178.3 | -60.7 | -170.8 | 0 | 0 | 0 | 114 | E182 R193 R194 M197 I208 F212 | E182-L189 HydrophobicContact CG-CD2 3.86Å; L189-R193 HydrophobicContact CD2-CG 3.96Å; L189-R194 HydrophobicContact CB-CB 4.43Å; L189-R194 PolarHBondContact O-NH2 3.01Å; L189-M197 HydrophobicContact CD1-CB 4.4Å; L189-M197 HydrophobicContact CD1-CG 4.12Å; L189-I208 HydrophobicContact CD1-CG2 3.73Å; L189-F212 HydrophobicContact CD1-CD2 4Å; L189-F212 HydrophobicContact CD1-CE1 4.19Å; L189-F212 HydrophobicContact CD1-CE2 3.58Å; L189-F212 HydrophobicContact CD1-CG 4.48Å; L189-F212 HydrophobicContact CD1-CZ 3.7Å; L189-F212 HydrophobicContact CD2-CE1 4.04Å; L189-F212 HydrophobicContact CD2-CZ 4.03Å; L189-F212 HydrophobicContact CG-CD1 4.04Å; L189-F212 HydrophobicContact CG-CD2 4.33Å; L189-F212 HydrophobicContact CG-CE1 3.71Å; L189-F212 HydrophobicContact CG-CE2 4.04Å; L189-F212 HydrophobicContact CG-CG 4.34Å; L189-F212 HydrophobicContact CG-CZ 3.72Å | ||
| 190 | C | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 75 Ų | 75 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | trans | -62.8 | 175.2 | 165 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | R193 R194 | C190-R193 VanDerWaalsContact SG-CB 3.56Å; C190-R194 WeakPolarHBondContact O-CB 3.3Å; C190-R194 PolarHBondContact O-N 2.95Å | ||
| 191 | R | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 72.7 Ų | 72.7 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | -175.4 | -176.3 | 67.1 | 178.3 | 89.8 | -16.7 | 113.9 | E205 | R191-E205 VanDerWaalsContact CZ-CD 3.48Å; R191-E205 IonicContact CZ-OE1 2.73Å; R191-E205 IonicContact CZ-OE2 3.83Å; R191-E205 IonicContact NE-OE2 3.62Å; R191-E205 IonicContact NH1-OE1 3.42Å; R191-E205 PolarHBondContact NH1-OE1 2.72Å; R191-E205 IonicContact NH1-OE2 3.04Å; R191-E205 PolarHBondContact NH1-OE2 3.26Å; R191-E205 IonicContact NH2-OE1 3.61Å; R191-E205 PolarHBondContact NH2-OE1 3.04Å; R191-E205 IonicContact NH2-OE2 2.72Å; R191-E205 PolarHBondContact NH2-OE2 3.21Å |
| 192 | P | 98.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 74 Ų | 74 | 53% | 0.532 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -52.8 | 178.6 | -22.3 | 35.1 | 0 | 0 | 0 | 112.7 | R194 V195 E196 | P192-R194 PolarHBondContact O-N 2.67Å; P192-V195 WeakPolarHBondContact O-CA 3.13Å; P192-V195 WeakPolarHBondContact O-CB 3.45Å; P192-V195 PolarHBondContact O-N 2.8Å; P192-E196 PolarHBondContact O-N 3.17Å |
| 193 | R | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -27.2 | -178.8 | -169.8 | 57 | 173.8 | 176.8 | 1.5 | 113.7 | E182 L189 C190 E196 M197 | E182-R193 VanDerWaalsContact OE1-CG 3.31Å; E182-R193 WeakPolarHBondContact OE1-CG 3.48Å; E182-R193 IonicContact OE1-CZ 3.64Å; E182-R193 IonicContact OE1-NE 2.71Å; E182-R193 PolarHBondContact OE1-NE 3.22Å; E182-R193 IonicContact OE1-NH2 2.69Å; E182-R193 IonicContact OE2-CZ 2.71Å; E182-R193 IonicContact OE2-NE 2.73Å; E182-R193 PolarHBondContact OE2-NE 2.92Å; E182-R193 IonicContact OE2-NH2 3.64Å; E182-R193 PolarHBondContact OE2-NH2 3.11Å; L189-R193 HydrophobicContact CD2-CG 3.96Å; C190-R193 VanDerWaalsContact SG-CB 3.56Å; R193-E196 WeakPolarHBondContact CA-OE1 3.37Å; R193-E196 WeakPolarHBondContact CD-OE2 3.2Å; R193-E196 IonicContact CZ-OE2 3.74Å; R193-E196 PolarHBondContact N-OE1 3.25Å; R193-E196 IonicContact NE-OE2 3.04Å; R193-E196 IonicContact NH1-OE2 3.71Å; R193-E196 PolarHBondContact NH1-OE2 3.06Å; R193-M197 WeakPolarHBondContact O-CB 3.3Å; R193-M197 VanDerWaalsContact O-CG 3.29Å; R193-M197 WeakPolarHBondContact O-CG 3.14Å; R193-M197 PolarHBondContact O-N 3.08Å |
| 194 | R | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 77.8 Ų | 77.8 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.7 | -31.1 | 173.2 | -162.2 | -174.1 | -52.6 | 132.9 | 9.3 | 113.4 | L189 C190 P192 A198 E205 I208 | L189-R194 HydrophobicContact CB-CB 4.43Å; L189-R194 PolarHBondContact O-NH2 3.01Å; C190-R194 WeakPolarHBondContact O-CB 3.3Å; C190-R194 PolarHBondContact O-N 2.95Å; P192-R194 PolarHBondContact O-N 2.67Å; R194-A198 WeakPolarHBondContact O-CB 3.37Å; R194-A198 PolarHBondContact O-N 2.81Å; R194-E205 HydrophobicContact CG-CB 4.37Å; R194-E205 HydrophobicContact CG-CG 4.19Å; R194-E205 IonicContact NH1-OE2 3.69Å; R194-I208 HydrophobicContact CG-CB 4.03Å; R194-I208 HydrophobicContact CG-CG2 3.79Å |
| 195 | V | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 74.9 Ų | 74.9 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.3 | -45.6 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | P192 M197 A198 N199 | P192-V195 WeakPolarHBondContact O-CA 3.13Å; P192-V195 WeakPolarHBondContact O-CB 3.45Å; P192-V195 PolarHBondContact O-N 2.8Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 2.96Å; V195-A198 WeakPolarHBondContact O-CB 3.36Å; V195-A198 PolarHBondContact O-N 3.29Å; V195-A198 VanDerWaalsContact O-N 3.11Å; V195-N199 WeakPolarHBondContact O-CB 3.44Å; V195-N199 VanDerWaalsContact O-CG 3.24Å; V195-N199 PolarHBondContact O-N 3.46Å; V195-N199 PolarHBondContact O-OD1 2.79Å |
| 196 | E | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 74.9 Ų | 74.9 | 41% | 0.407 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.8 | -49.1 | 175.3 | -64.2 | 157.3 | -126.9 | 0 | 0 | 111.1 | P192 R193 N199 L200 | P192-E196 PolarHBondContact O-N 3.17Å; R193-E196 WeakPolarHBondContact CA-OE1 3.37Å; R193-E196 WeakPolarHBondContact CD-OE2 3.2Å; R193-E196 IonicContact CZ-OE2 3.74Å; R193-E196 PolarHBondContact N-OE1 3.25Å; R193-E196 IonicContact NE-OE2 3.04Å; R193-E196 IonicContact NH1-OE2 3.71Å; R193-E196 PolarHBondContact NH1-OE2 3.06Å; E196-N199 PolarHBondContact O-N 3.34Å; E196-L200 VanDerWaalsContact O-CB 3.22Å; E196-L200 WeakPolarHBondContact O-CB 3.27Å; E196-L200 PolarHBondContact O-N 2.83Å |
| 197 | M | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.5 | -28.7 | 176.5 | -67.3 | -68 | 99.2 | 0 | 0 | 114.2 | E182 L189 R193 V195 L200 L201 I208 | E182-M197 HydrophobicContact CB-SD 3.94Å; E182-M197 HydrophobicContact CG-CG 4.05Å; E182-M197 HydrophobicContact CG-SD 3.75Å; L189-M197 HydrophobicContact CD1-CB 4.4Å; L189-M197 HydrophobicContact CD1-CG 4.12Å; R193-M197 WeakPolarHBondContact O-CB 3.3Å; R193-M197 VanDerWaalsContact O-CG 3.29Å; R193-M197 WeakPolarHBondContact O-CG 3.14Å; R193-M197 PolarHBondContact O-N 3.08Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 2.96Å; M197-L200 HydrophobicContact CE-CD1 4.09Å; M197-L201 WeakPolarHBondContact O-CB 3.4Å; M197-L201 WeakPolarHBondContact O-CD1 3.22Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.46Å; M197-L201 PolarHBondContact O-N 3.14Å; M197-I208 HydrophobicContact CB-CD1 4.41Å; M197-I208 HydrophobicContact CB-CG2 4.43Å |
| 198 | A | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R194 V195 N202 L203 E205 I208 | R194-A198 WeakPolarHBondContact O-CB 3.37Å; R194-A198 PolarHBondContact O-N 2.81Å; V195-A198 WeakPolarHBondContact O-CB 3.36Å; V195-A198 PolarHBondContact O-N 3.29Å; V195-A198 VanDerWaalsContact O-N 3.11Å; A198-N202 PolarHBondContact O-N 3.1Å; A198-N202 VanDerWaalsContact O-N 3.12Å; A198-L203 CarbonylContact C-O 3.57Å; A198-L203 WeakPolarHBondContact CA-O 3.33Å; A198-L203 WeakPolarHBondContact CB-O 3.48Å; A198-L203 PolarHBondContact O-N 2.85Å; A198-L203 VanDerWaalsContact O-O 3.1Å; A198-E205 HydrophobicContact CB-CG 4.08Å; A198-I208 HydrophobicContact CB-CG1 4.24Å |
| 199 | N | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 69.6 Ų | 69.6 | 61% | 0.61 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.8 | -49 | -178.7 | -64.4 | -2.5 | 0 | 0 | 0 | 111.5 | V195 E196 L201 N202 | V195-N199 WeakPolarHBondContact O-CB 3.44Å; V195-N199 VanDerWaalsContact O-CG 3.24Å; V195-N199 PolarHBondContact O-N 3.46Å; V195-N199 PolarHBondContact O-OD1 2.79Å; E196-N199 PolarHBondContact O-N 3.34Å; N199-L201 PolarHBondContact O-N 3.22Å; N199-N202 PolarHBondContact O-N 3.44Å |
| 200 | L | 98.2 | Very high | 98.4 | Very high | 105 Ų | 105 | 71.7 Ų | 71.7 | 55% | 0.55 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -29.9 | -177.9 | -170.8 | 152.3 | 0 | 0 | 0 | 112.7 | E178 E196 M197 | E178-L200 HydrophobicContact CG-CD2 4.49Å; E196-L200 VanDerWaalsContact O-CB 3.22Å; E196-L200 WeakPolarHBondContact O-CB 3.27Å; E196-L200 PolarHBondContact O-N 2.83Å; M197-L200 HydrophobicContact CE-CD1 4.09Å |
| 201 | L | 98.1 | Very high | 98.4 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -104.1 | -1.4 | -175.8 | -56.7 | 178.8 | 0 | 0 | 0 | 114.2 | Q175 E178 L179 M197 N199 L203 I208 | Q175-L201 HydrophobicContact CG-CB 4.37Å; Q175-L201 PolarHBondContact NE2-O 2.87Å; E178-L201 HydrophobicContact CB-CD2 3.64Å; E178-L201 HydrophobicContact CG-CD2 4.17Å; L179-L201 HydrophobicContact CD1-CD1 4.34Å; L179-L201 HydrophobicContact CD2-CD1 3.74Å; L179-L201 HydrophobicContact CG-CD1 3.66Å; M197-L201 WeakPolarHBondContact O-CB 3.4Å; M197-L201 WeakPolarHBondContact O-CD1 3.22Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.46Å; M197-L201 PolarHBondContact O-N 3.14Å; N199-L201 PolarHBondContact O-N 3.22Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 HydrophobicContact CB-CB 4.48Å; L201-L203 HydrophobicContact CB-CD1 4.14Å; L201-L203 HydrophobicContact CB-CG 4.1Å; L201-L203 PolarHBondContact O-N 2.92Å; L201-I208 HydrophobicContact CD1-CD1 4.12Å |
| 202 | N | 98.4 | Very high | 98.4 | Very high | 147 Ų | 147 | 62.9 Ų | 62.9 | 79% | 0.786 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 46.7 | -170.3 | -64.8 | -51.3 | 0 | 0 | 0 | 112.7 | A198 N199 | A198-N202 PolarHBondContact O-N 3.1Å; A198-N202 VanDerWaalsContact O-N 3.12Å; N199-N202 PolarHBondContact O-N 3.44Å |
| 203 | L | 98 | Very high | 98.5 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | trans | -125.5 | 144.4 | 179.5 | -67.6 | -178.3 | 0 | 0 | 0 | 110.7 | Y171 Q175 L179 A198 L201 Q207 I208 | Y171-L203 HydrophobicContact CD1-CD1 3.78Å; Y171-L203 HydrophobicContact CD1-CD2 3.82Å; Y171-L203 HydrophobicContact CD1-CG 4.49Å; Y171-L203 HydrophobicContact CE1-CD1 3.79Å; Y171-L203 HydrophobicContact CE1-CD2 3.75Å; Y171-L203 HydrophobicContact CE1-CG 4.43Å; Q175-L203 HydrophobicContact CG-CD1 4.5Å; L179-L203 HydrophobicContact CD1-CD1 4.26Å; A198-L203 CarbonylContact C-O 3.57Å; A198-L203 WeakPolarHBondContact CA-O 3.33Å; A198-L203 WeakPolarHBondContact CB-O 3.48Å; A198-L203 PolarHBondContact O-N 2.85Å; A198-L203 VanDerWaalsContact O-O 3.1Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 HydrophobicContact CB-CB 4.48Å; L201-L203 HydrophobicContact CB-CD1 4.14Å; L201-L203 HydrophobicContact CB-CG 4.1Å; L201-L203 PolarHBondContact O-N 2.92Å; L203-Q207 HydrophobicContact CB-CB 4.36Å; L203-I208 HydrophobicContact CB-CD1 3.93Å; L203-I208 HydrophobicContact CB-CG1 4.43Å; L203-I208 HydrophobicContact CD1-CD1 4.01Å | ||
| 204 | T | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 64.2 Ų | 64.2 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | trans | -64.7 | 147.2 | 173.1 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | R206 Q207 I208 | T204-R206 PolarHBondContact O-N 3.23Å; T204-Q207 WeakPolarHBondContact O-CA 3.16Å; T204-Q207 WeakPolarHBondContact O-CB 3.32Å; T204-Q207 PolarHBondContact O-N 3.29Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.41Å; T204-Q207 PolarHBondContact OG1-N 2.76Å; T204-Q207 PolarHBondContact OG1-OE1 3.4Å; T204-I208 PolarHBondContact O-N 3.06Å; T204-I208 VanDerWaalsContact O-N 3.1Å | ||
| 205 | E | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -50 | -31.1 | 170.8 | -79.6 | -166.3 | -117.5 | 0 | 0 | 113.4 | R191 R194 A198 I208 K209 | R191-E205 VanDerWaalsContact CZ-CD 3.48Å; R191-E205 IonicContact CZ-OE1 2.73Å; R191-E205 IonicContact CZ-OE2 3.83Å; R191-E205 IonicContact NE-OE2 3.62Å; R191-E205 IonicContact NH1-OE1 3.42Å; R191-E205 PolarHBondContact NH1-OE1 2.72Å; R191-E205 IonicContact NH1-OE2 3.04Å; R191-E205 PolarHBondContact NH1-OE2 3.26Å; R191-E205 IonicContact NH2-OE1 3.61Å; R191-E205 PolarHBondContact NH2-OE1 3.04Å; R191-E205 IonicContact NH2-OE2 2.72Å; R191-E205 PolarHBondContact NH2-OE2 3.21Å; R194-E205 HydrophobicContact CG-CB 4.37Å; R194-E205 HydrophobicContact CG-CG 4.19Å; R194-E205 IonicContact NH1-OE2 3.69Å; A198-E205 HydrophobicContact CB-CG 4.08Å; E205-I208 PolarHBondContact O-N 3.48Å; E205-K209 VanDerWaalsContact O-CB 3.27Å; E205-K209 WeakPolarHBondContact O-CB 3.35Å; E205-K209 PolarHBondContact O-N 3.4Å |
| 206 | R | 98 | Very high | 98.4 | Very high | 165 Ų | 165 | 64 Ų | 64 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67 | -40.3 | 176.9 | -172.2 | 178.8 | 179.6 | -77.8 | -3.3 | 111.5 | T204 I210 | T204-R206 PolarHBondContact O-N 3.23Å; R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CB 3.41Å; R206-I210 WeakPolarHBondContact O-CD1 3.44Å; R206-I210 VanDerWaalsContact O-CG1 3.22Å; R206-I210 WeakPolarHBondContact O-CG1 3.42Å; R206-I210 PolarHBondContact O-N 3.34Å |
| 207 | Q | 98.2 | Very high | 98.4 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 23% | 0.229 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 172.4 | -76.3 | 158 | -69.3 | 0 | 0 | 110.8 | Y171 L203 T204 K209 I210 W211 | Y171-Q207 HydrophobicContact CE1-CB 4.23Å; Y171-Q207 HydrophobicContact CE1-CG 4.37Å; Y171-Q207 WeakPolarHBondContact OH-CB 3.48Å; L203-Q207 HydrophobicContact CB-CB 4.36Å; T204-Q207 WeakPolarHBondContact O-CA 3.16Å; T204-Q207 WeakPolarHBondContact O-CB 3.32Å; T204-Q207 PolarHBondContact O-N 3.29Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.41Å; T204-Q207 PolarHBondContact OG1-N 2.76Å; T204-Q207 PolarHBondContact OG1-OE1 3.4Å; Q207-K209 PolarHBondContact O-N 2.85Å; Q207-I210 PolarHBondContact O-N 2.93Å; Q207-W211 WeakPolarHBondContact O-CB 3.29Å; Q207-W211 PolarHBondContact O-N 2.91Å |
| 208 | I | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.4 | -49.9 | 175.4 | -53.5 | -63.2 | 0 | 0 | 0 | 110.9 | L179 L189 R194 M197 A198 L201 L203 T204 E205 I210 W211 F212 | L179-I208 HydrophobicContact CD2-CD1 3.87Å; L189-I208 HydrophobicContact CD1-CG2 3.73Å; R194-I208 HydrophobicContact CG-CB 4.03Å; R194-I208 HydrophobicContact CG-CG2 3.79Å; M197-I208 HydrophobicContact CB-CD1 4.41Å; M197-I208 HydrophobicContact CB-CG2 4.43Å; A198-I208 HydrophobicContact CB-CG1 4.24Å; L201-I208 HydrophobicContact CD1-CD1 4.12Å; L203-I208 HydrophobicContact CB-CD1 3.93Å; L203-I208 HydrophobicContact CB-CG1 4.43Å; L203-I208 HydrophobicContact CD1-CD1 4.01Å; T204-I208 PolarHBondContact O-N 3.06Å; T204-I208 VanDerWaalsContact O-N 3.1Å; E205-I208 PolarHBondContact O-N 3.48Å; I208-I210 PolarHBondContact O-N 2.94Å; I208-W211 PolarHBondContact O-N 3.24Å; I208-F212 HydrophobicContact CG2-CD2 3.99Å; I208-F212 HydrophobicContact CG2-CE2 4.22Å; I208-F212 WeakPolarHBondContact O-CD2 3.37Å; I208-F212 PolarHBondContact O-N 3.26Å |
| 209 | K | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 73.7 Ų | 73.7 | 59% | 0.587 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.4 | -43.2 | 178.2 | -177.6 | 178.6 | 178.2 | -179.6 | 0 | 112.4 | E205 Q207 Q213 | E205-K209 VanDerWaalsContact O-CB 3.27Å; E205-K209 WeakPolarHBondContact O-CB 3.35Å; E205-K209 PolarHBondContact O-N 3.4Å; Q207-K209 PolarHBondContact O-N 2.85Å; K209-Q213 WeakPolarHBondContact O-CB 3.48Å; K209-Q213 PolarHBondContact O-N 3.23Å |
| 210 | I | 98.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 178.5 | -71.8 | 168.2 | 0 | 0 | 0 | 111 | R206 Q207 I208 Q213 N214 | R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CB 3.41Å; R206-I210 WeakPolarHBondContact O-CD1 3.44Å; R206-I210 VanDerWaalsContact O-CG1 3.22Å; R206-I210 WeakPolarHBondContact O-CG1 3.42Å; R206-I210 PolarHBondContact O-N 3.34Å; Q207-I210 PolarHBondContact O-N 2.93Å; I208-I210 PolarHBondContact O-N 2.94Å; I210-Q213 PolarHBondContact O-N 2.98Å; I210-N214 WeakPolarHBondContact O-CB 3.09Å; I210-N214 VanDerWaalsContact O-CG 3.26Å; I210-N214 PolarHBondContact O-N 3.42Å |
| 211 | W | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 76.9 Ų | 76.9 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.2 | -169 | 104.1 | 0 | 0 | 0 | 110.9 | Y171 L179 E180 F183 Q207 I208 Q213 N214 R215 | Y171-W211 AromaticContact CD2-CD1 3.91Å; Y171-W211 AromaticContact CE2-CD1 3.75Å; L179-W211 VanDerWaalsContact C-CH2 3.47Å; L179-W211 HydrophobicContact CB-CD2 3.96Å; L179-W211 HydrophobicContact CB-CE3 3.97Å; L179-W211 HydrophobicContact CB-CH2 3.69Å; L179-W211 HydrophobicContact CB-CZ2 3.65Å; L179-W211 HydrophobicContact CB-CZ3 3.84Å; L179-W211 HydrophobicContact CD1-CD2 3.95Å; L179-W211 HydrophobicContact CD1-CG 3.89Å; L179-W211 HydrophobicContact CD2-CD2 4.33Å; L179-W211 HydrophobicContact CD2-CE3 4.22Å; L179-W211 HydrophobicContact CG-CD2 4.3Å; L179-W211 HydrophobicContact CG-CE3 4.49Å; L179-W211 WeakPolarHBondContact O-CH2 3.29Å; L179-W211 WeakPolarHBondContact O-CZ3 3.48Å; E180-W211 HydrophobicContact CG-CH2 4.37Å; E180-W211 HydrophobicContact CG-CZ2 4.35Å; F183-W211 HydrophobicContact CB-CH2 4.31Å; F183-W211 HydrophobicContact CB-CZ3 3.99Å; F183-W211 HydrophobicContact CG-CZ3 4.38Å; Q207-W211 WeakPolarHBondContact O-CB 3.29Å; Q207-W211 PolarHBondContact O-N 2.91Å; I208-W211 PolarHBondContact O-N 3.24Å; W211-Q213 VanDerWaalsContact C-N 3.3Å; W211-Q213 PolarHBondContact O-N 3.21Å; W211-N214 PolarHBondContact O-N 3.27Å; W211-N214 VanDerWaalsContact O-N 3.17Å; W211-R215 HydrophobicContact CD2-CB 4.47Å; W211-R215 HydrophobicContact CE3-CB 3.89Å; W211-R215 HydrophobicContact CE3-CG 4.42Å; W211-R215 HydrophobicContact CH2-CB 3.94Å; W211-R215 HydrophobicContact CH2-CG 3.57Å; W211-R215 HydrophobicContact CZ2-CG 4.32Å; W211-R215 HydrophobicContact CZ3-CB 3.6Å; W211-R215 HydrophobicContact CZ3-CG 3.64Å; W211-R215 WeakPolarHBondContact O-CB 3.36Å; W211-R215 PolarHBondContact O-N 3.12Å |
| 212 | F | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 78.7 Ų | 78.7 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -29.4 | 176.6 | -90.8 | -100.1 | 0 | 0 | 0 | 113.7 | L179 E182 F183 L189 I208 R216 | L179-F212 HydrophobicContact CD2-CD2 4.45Å; L179-F212 HydrophobicContact CD2-CE2 3.9Å; E182-F212 HydrophobicContact CB-CZ 4.25Å; E182-F212 HydrophobicContact CG-CZ 3.99Å; F183-F212 HydrophobicContact CB-CE1 4.02Å; F183-F212 HydrophobicContact CB-CZ 4.16Å; F183-F212 AromaticContact CD2-CD1 3.95Å; F183-F212 HydrophobicContact CD2-CD1 3.95Å; F183-F212 AromaticContact CD2-CE1 3.88Å; F183-F212 HydrophobicContact CD2-CE1 3.88Å; F183-F212 HydrophobicContact CG-CE1 4.47Å; L189-F212 HydrophobicContact CD1-CD2 4Å; L189-F212 HydrophobicContact CD1-CE1 4.19Å; L189-F212 HydrophobicContact CD1-CE2 3.58Å; L189-F212 HydrophobicContact CD1-CG 4.48Å; L189-F212 HydrophobicContact CD1-CZ 3.7Å; L189-F212 HydrophobicContact CD2-CE1 4.04Å; L189-F212 HydrophobicContact CD2-CZ 4.03Å; L189-F212 HydrophobicContact CG-CD1 4.04Å; L189-F212 HydrophobicContact CG-CD2 4.33Å; L189-F212 HydrophobicContact CG-CE1 3.71Å; L189-F212 HydrophobicContact CG-CE2 4.04Å; L189-F212 HydrophobicContact CG-CG 4.34Å; L189-F212 HydrophobicContact CG-CZ 3.72Å; I208-F212 HydrophobicContact CG2-CD2 3.99Å; I208-F212 HydrophobicContact CG2-CE2 4.22Å; I208-F212 WeakPolarHBondContact O-CD2 3.37Å; I208-F212 PolarHBondContact O-N 3.26Å; F212-R216 WeakPolarHBondContact O-CG 3.45Å; F212-R216 PolarHBondContact O-N 3.27Å; F212-R216 PolarHBondContact O-NE 3.16Å; F212-R216 VanDerWaalsContact O-NE 3.11Å |
| 213 | Q | 98.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 73.4 Ų | 73.4 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 171.4 | -173.3 | 62.9 | 43.9 | 0 | 0 | 111.2 | K209 I210 W211 M217 | K209-Q213 WeakPolarHBondContact O-CB 3.48Å; K209-Q213 PolarHBondContact O-N 3.23Å; I210-Q213 PolarHBondContact O-N 2.98Å; W211-Q213 VanDerWaalsContact C-N 3.3Å; W211-Q213 PolarHBondContact O-N 3.21Å; Q213-M217 WeakPolarHBondContact O-CG 2.93Å; Q213-M217 PolarHBondContact O-N 3.02Å; Q213-M217 VanDerWaalsContact O-N 3.14Å |
| 214 | N | 98.3 | Very high | 96.8 | Very high | 101 Ų | 101 | 80.1 Ų | 80.1 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.8 | -68.1 | -13.7 | 0 | 0 | 0 | 111.6 | I210 W211 M217 K218 | I210-N214 WeakPolarHBondContact O-CB 3.09Å; I210-N214 VanDerWaalsContact O-CG 3.26Å; I210-N214 PolarHBondContact O-N 3.42Å; W211-N214 PolarHBondContact O-N 3.27Å; W211-N214 VanDerWaalsContact O-N 3.17Å; N214-M217 PolarHBondContact O-N 3.22Å; N214-K218 PolarHBondContact O-N 3Å |
| 215 | R | 98.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 80.6 Ų | 80.6 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.8 | -39.1 | -179.4 | -166.1 | 65.4 | 173.4 | 93 | -9 | 112.5 | E180 F183 W211 K218 Y219 | E180-R215 VanDerWaalsContact CD-NH2 3.29Å; E180-R215 IonicContact OE1-CZ 3.29Å; E180-R215 VanDerWaalsContact OE1-CZ 3.26Å; E180-R215 IonicContact OE1-NE 3.85Å; E180-R215 PolarHBondContact OE1-NE 3.44Å; E180-R215 IonicContact OE1-NH2 3.17Å; E180-R215 PolarHBondContact OE1-NH2 3.43Å; E180-R215 IonicContact OE2-CZ 3.26Å; E180-R215 IonicContact OE2-NE 2.67Å; E180-R215 IonicContact OE2-NH2 2.77Å; E180-R215 PolarHBondContact OE2-NH2 3.39Å; F183-R215 HydrophobicContact CD1-CG 3.66Å; F183-R215 HydrophobicContact CD2-CB 4.22Å; F183-R215 HydrophobicContact CD2-CG 3.85Å; F183-R215 HydrophobicContact CE1-CG 3.66Å; F183-R215 HydrophobicContact CE2-CB 4.13Å; F183-R215 HydrophobicContact CE2-CG 3.86Å; F183-R215 HydrophobicContact CG-CG 3.75Å; F183-R215 HydrophobicContact CZ-CB 4.38Å; F183-R215 HydrophobicContact CZ-CG 3.76Å; W211-R215 HydrophobicContact CD2-CB 4.47Å; W211-R215 HydrophobicContact CE3-CB 3.89Å; W211-R215 HydrophobicContact CE3-CG 4.42Å; W211-R215 HydrophobicContact CH2-CB 3.94Å; W211-R215 HydrophobicContact CH2-CG 3.57Å; W211-R215 HydrophobicContact CZ2-CG 4.32Å; W211-R215 HydrophobicContact CZ3-CB 3.6Å; W211-R215 HydrophobicContact CZ3-CG 3.64Å; W211-R215 WeakPolarHBondContact O-CB 3.36Å; W211-R215 PolarHBondContact O-N 3.12Å; R215-K218 PolarHBondContact O-N 2.94Å; R215-Y219 VanDerWaalsContact O-CB 3.29Å; R215-Y219 WeakPolarHBondContact O-CB 3.36Å; R215-Y219 PolarHBondContact O-N 3.28Å |
| 216 | R | 98.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 85.1 Ų | 85.1 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 170.5 | -78 | -178.1 | -75.3 | 132.2 | 4.4 | 112.3 | F183 R187 Y188 F212 Y219 K220 | F183-R216 HydrophobicContact CE2-CG 3.79Å; F183-R216 HydrophobicContact CZ-CG 4.37Å; R187-R216 WeakPolarHBondContact O-CD 3.36Å; Y188-R216 VanDerWaalsContact CE1-NH1 3.32Å; F212-R216 WeakPolarHBondContact O-CG 3.45Å; F212-R216 PolarHBondContact O-N 3.27Å; F212-R216 PolarHBondContact O-NE 3.16Å; F212-R216 VanDerWaalsContact O-NE 3.11Å; R216-Y219 PolarHBondContact O-N 3.18Å; R216-K220 WeakPolarHBondContact O-CB 3.49Å; R216-K220 PolarHBondContact O-N 2.97Å |
| 217 | M | 98.2 | Very high | 94 | Very high | 102 Ų | 102 | 78.9 Ų | 78.9 | 50% | 0.502 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.3 | -69.5 | -66.3 | -79.7 | 0 | 0 | 112.2 | Q213 N214 K221 | Q213-M217 WeakPolarHBondContact O-CG 2.93Å; Q213-M217 PolarHBondContact O-N 3.02Å; Q213-M217 VanDerWaalsContact O-N 3.14Å; N214-M217 PolarHBondContact O-N 3.22Å; M217-K221 PolarHBondContact O-N 3.11Å |
| 218 | K | 97.1 | Very high | 92.4 | Very high | 116 Ų | 116 | 81.7 Ų | 81.7 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -53 | 171.1 | -170.5 | -167.4 | 168.7 | -175.2 | 0 | 110.7 | N214 R215 K220 K221 D222 | N214-K218 PolarHBondContact O-N 3Å; R215-K218 PolarHBondContact O-N 2.94Å; K218-K220 VanDerWaalsContact C-N 3.29Å; K218-K220 PolarHBondContact O-N 3.48Å; K218-K221 CarbonylContact O-C 3.6Å; K218-K221 WeakPolarHBondContact O-CA 3.45Å; K218-K221 WeakPolarHBondContact O-CB 3.44Å; K218-K221 PolarHBondContact O-N 2.85Å; K218-D222 WeakPolarHBondContact CE-OD2 3.46Å; K218-D222 WeakPolarHBondContact CG-OD2 3.3Å; K218-D222 PolarHBondContact O-N 3.19Å |
| 219 | Y | 96.4 | Very high | 90.4 | Very high | 83 Ų | 83 | 87.9 Ų | 87.9 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.9 | -43.6 | 178.9 | -178.9 | -90.8 | 0 | 0 | 0 | 112.5 | F183 R187 R215 R216 K221 D222 Q223 | F183-Y219 HydrophobicContact CE1-CD2 4.12Å; F183-Y219 HydrophobicContact CE1-CG 4.39Å; F183-Y219 HydrophobicContact CZ-CD2 4.41Å; F183-Y219 HydrophobicContact CZ-CG 4.23Å; R187-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R187-Y219 PolarHBondContact NH1-OH 3.4Å; R187-Y219 VanDerWaalsContact NH1-OH 3.1Å; R215-Y219 VanDerWaalsContact O-CB 3.29Å; R215-Y219 WeakPolarHBondContact O-CB 3.36Å; R215-Y219 PolarHBondContact O-N 3.28Å; R216-Y219 PolarHBondContact O-N 3.18Å; Y219-K221 VanDerWaalsContact C-N 3.31Å; Y219-K221 PolarHBondContact O-N 3.48Å; Y219-D222 PolarHBondContact O-N 3.15Å; Y219-Q223 HydrophobicContact CD1-CG 4.01Å; Y219-Q223 HydrophobicContact CD2-CG 4.48Å; Y219-Q223 HydrophobicContact CE1-CG 3.6Å; Y219-Q223 HydrophobicContact CE2-CG 4.13Å; Y219-Q223 VanDerWaalsContact CE2-NE2 3.29Å; Y219-Q223 HydrophobicContact CG-CG 4.43Å; Y219-Q223 VanDerWaalsContact CZ-NE2 3.29Å; Y219-Q223 WeakPolarHBondContact O-CG 3.03Å; Y219-Q223 PolarHBondContact O-N 2.95Å; Y219-Q223 PolarHBondContact OH-NE2 3.3Å |
| 220 | K | 95.7 | Very high | 88.2 | Confident | 126 Ų | 126 | 87.5 Ų | 87.5 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 175.4 | -174.3 | 173.9 | 65.6 | 174.3 | 0 | 112.8 | R216 K218 K224 | R216-K220 WeakPolarHBondContact O-CB 3.49Å; R216-K220 PolarHBondContact O-N 2.97Å; K218-K220 VanDerWaalsContact C-N 3.29Å; K218-K220 PolarHBondContact O-N 3.48Å; K220-K224 WeakPolarHBondContact O-CG 3.41Å; K220-K224 PolarHBondContact O-N 3.38Å |
| 221 | K | 95.3 | Very high | 86.1 | Confident | 159 Ų | 159 | 89 Ų | 89 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.6 | -47.9 | 173.3 | -171.1 | -175.1 | 178.4 | -174.4 | 0 | 110.9 | M217 K218 Y219 Q223 K224 A225 | M217-K221 PolarHBondContact O-N 3.11Å; K218-K221 CarbonylContact O-C 3.6Å; K218-K221 WeakPolarHBondContact O-CA 3.45Å; K218-K221 WeakPolarHBondContact O-CB 3.44Å; K218-K221 PolarHBondContact O-N 2.85Å; Y219-K221 VanDerWaalsContact C-N 3.31Å; Y219-K221 PolarHBondContact O-N 3.48Å; K221-Q223 VanDerWaalsContact C-N 3.34Å; K221-Q223 PolarHBondContact O-N 3.02Å; K221-K224 PolarHBondContact O-N 3.07Å; K221-A225 PolarHBondContact O-N 2.96Å |
| 222 | D | 92.8 | Very high | 84 | Confident | 51 Ų | 51 | 94.1 Ų | 94.1 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | -177.2 | -59.8 | -12.7 | 0 | 0 | 0 | 111.5 | K218 Y219 A225 K226 | K218-D222 WeakPolarHBondContact CE-OD2 3.46Å; K218-D222 WeakPolarHBondContact CG-OD2 3.3Å; K218-D222 PolarHBondContact O-N 3.19Å; Y219-D222 PolarHBondContact O-N 3.15Å; D222-A225 PolarHBondContact O-N 2.6Å; D222-K226 WeakPolarHBondContact O-CG 3.27Å; D222-K226 PolarHBondContact O-N 3.36Å |
| 223 | Q | 90.7 | Very high | 81.8 | Confident | 35 Ų | 35 | 100.6 Ų | 100.6 | 16% | 0.164 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 177.9 | -66.5 | -59.6 | -14.4 | 0 | 0 | 113.4 | Y219 K221 A225 K226 M229 | Y219-Q223 HydrophobicContact CD1-CG 4.01Å; Y219-Q223 HydrophobicContact CD2-CG 4.48Å; Y219-Q223 HydrophobicContact CE1-CG 3.6Å; Y219-Q223 HydrophobicContact CE2-CG 4.13Å; Y219-Q223 VanDerWaalsContact CE2-NE2 3.29Å; Y219-Q223 HydrophobicContact CG-CG 4.43Å; Y219-Q223 VanDerWaalsContact CZ-NE2 3.29Å; Y219-Q223 WeakPolarHBondContact O-CG 3.03Å; Y219-Q223 PolarHBondContact O-N 2.95Å; Y219-Q223 PolarHBondContact OH-NE2 3.3Å; K221-Q223 VanDerWaalsContact C-N 3.34Å; K221-Q223 PolarHBondContact O-N 3.02Å; Q223-A225 VanDerWaalsContact C-N 3.35Å; Q223-K226 PolarHBondContact O-N 3.03Å; Q223-M229 HydrophobicContact CB-CG 4.17Å |
| 224 | K | 87 | Confident | 79.5 | Confident | 158 Ų | 158 | 99.8 Ų | 99.8 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -35.5 | 172.9 | -71.1 | -168.9 | 68 | 165.9 | 0 | 112.1 | K220 K221 K226 | K220-K224 WeakPolarHBondContact O-CG 3.41Å; K220-K224 PolarHBondContact O-N 3.38Å; K221-K224 PolarHBondContact O-N 3.07Å; K224-K226 VanDerWaalsContact C-N 3.28Å; K224-K226 PolarHBondContact O-N 2.75Å |
| 225 | A | 84.4 | Confident | 77.2 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 72% | 0.719 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -21.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K221 D222 Q223 | K221-A225 PolarHBondContact O-N 2.96Å; D222-A225 PolarHBondContact O-N 2.6Å; Q223-A225 VanDerWaalsContact C-N 3.35Å |
| 226 | K | 80.7 | Confident | 74.6 | Confident | 146 Ų | 146 | 106.3 Ų | 106.3 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 0.8 | -179.5 | -73.5 | -179 | 176.3 | -164.6 | 0 | 114.8 | D222 Q223 K224 I228 | D222-K226 WeakPolarHBondContact O-CG 3.27Å; D222-K226 PolarHBondContact O-N 3.36Å; Q223-K226 PolarHBondContact O-N 3.03Å; K224-K226 VanDerWaalsContact C-N 3.28Å; K224-K226 PolarHBondContact O-N 2.75Å; K226-I228 HydrophobicContact CB-CD1 3.72Å; K226-I228 HydrophobicContact CB-CG1 4.02Å; K226-I228 HydrophobicContact CD-CD1 4.03Å; K226-I228 PolarHBondContact O-N 2.79Å |
| 227 | G | 71.7 | Confident | 72.5 | Confident | 34 Ų | 34 | 109.8 Ų | 109.8 | 35% | 0.351 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 71.4 | -14.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M229 H230 | G227-M229 PolarHBondContact O-N 3.32Å; G227-H230 PolarHBondContact O-CD2 3.13Å; G227-H230 PolarHBondContact O-N 3.15Å |
| 228 | I | 63.7 | Low | 70.2 | Confident | 109 Ų | 109 | 111.5 Ų | 111.5 | 56% | 0.559 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -19 | -178.4 | -61.8 | 165.2 | 0 | 0 | 0 | 113 | K226 | K226-I228 HydrophobicContact CB-CD1 3.72Å; K226-I228 HydrophobicContact CB-CG1 4.02Å; K226-I228 HydrophobicContact CD-CD1 4.03Å; K226-I228 PolarHBondContact O-N 2.79Å |
| 229 | M | 57.4 | Low | 67.7 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 40.3 | 177 | -58.8 | -86.3 | 82 | 0 | 0 | 112.5 | Q223 G227 | Q223-M229 HydrophobicContact CB-CG 4.17Å; G227-M229 PolarHBondContact O-N 3.32Å |
| 230 | H | 52.7 | Low | 65.5 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | -83.7 | 109 | 162.6 | -84.3 | -133.5 | 0 | 0 | 0 | 109.8 | G227 | G227-H230 PolarHBondContact O-CD2 3.13Å; G227-H230 PolarHBondContact O-N 3.15Å | ||
| 231 | S | 54.3 | Low | 63.6 | Low | 95 Ų | 95 | 117 Ų | 117 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | trans | -63.4 | 137.4 | 165.4 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | I233 | S231-I233 PolarHBondContact O-N 2.9Š| ||
| 232 | P | 54.6 | Low | 61.4 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 84% | 0.844 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -76.7 | 17.7 | -173.1 | 31.4 | -36.9 | 0 | 0 | 0 | 114.9 | ||
| 233 | I | 52.6 | Low | 59.2 | Low | 144 Ų | 144 | 121 Ų | 121 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -115.5 | 130.5 | -178.9 | -92 | 64.2 | 0 | 0 | 0 | 109.2 | S231 | S231-I233 PolarHBondContact O-N 2.9Š|
| 234 | G | 50.1 | Low | 57.1 | Low | 69 Ų | 69 | 124.9 Ų | 124.9 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | 95.6 | 28.4 | 154 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 235 | H | 49.2 | Very low | 54.7 | Low | 161 Ų | 161 | 120.9 Ų | 120.9 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | -96.1 | 94.1 | 160.9 | -86.1 | -75.9 | 0 | 0 | 0 | 110.8 | ||||
| 236 | S | 42.9 | Very low | 53.1 | Low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -66.8 | 135.3 | 170.7 | -58.8 | 0 | 0 | 0 | 0 | 111 | D238 | S236-D238 PolarHBondContact O-N 2.91Å; S236-D238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | P | 56 | Low | 51.1 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | -86.2 | 72 | 178.1 | 35.7 | -35.4 | 0 | 0 | 0 | 111.4 | ||||
| 238 | D | 48.5 | Very low | 49.7 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -100.3 | 86.9 | 159.9 | -165.4 | 0.5 | 0 | 0 | 0 | 110.4 | S236 S240 | S236-D238 PolarHBondContact O-N 2.91Å; S236-D238 VanDerWaalsContact O-N 3.11Å; D238-S240 PolarHBondContact OD1-OG 3.49Å | ||
| 239 | R | 45.4 | Very low | 48.7 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -130.6 | 91.3 | 159.8 | -174.4 | -179.8 | -176 | -169.5 | 0.4 | 106.6 | ||||
| 240 | S | 48.9 | Very low | 47.7 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -54.2 | 141.7 | -176.2 | -26.7 | 0 | 0 | 0 | 0 | 111.6 | D238 | D238-S240 PolarHBondContact OD1-OG 3.49Š| ||
| 241 | P | 57.3 | Low | 47 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -77.8 | 140.7 | -168.6 | 30.2 | -35.5 | 0 | 0 | 0 | 112.8 | L243 | P241-L243 PolarHBondContact O-N 3.46Š| ||
| 242 | P | 48.8 | Very low | 46.4 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 100.3 | 170.8 | 31.4 | -32.4 | 0 | 0 | 0 | 110.4 | S244 | P242-S244 PolarHBondContact O-N 3.11Š| ||
| 243 | L | 45.3 | Very low | 45.4 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -60.7 | 119.9 | 171.2 | -85.1 | 166 | 0 | 0 | 0 | 110.3 | P241 | P241-L243 PolarHBondContact O-N 3.46Š| ||
| 244 | S | 47.1 | Very low | 44.6 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -120.9 | 116.1 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 108.3 | P242 | P242-S244 PolarHBondContact O-N 3.11Š| ||
| 245 | G | 37.7 | Very low | 43.9 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -164 | 151.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 246 | P | 50 | Low | 43.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -124.7 | 170.7 | -142.9 | 39.6 | -25.5 | 0 | 0 | 0 | 115.9 | ||||
| 247 | N | 39.5 | Very low | 42.8 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 109.4 | 161 | -53 | -36.9 | 0 | 0 | 0 | 118.5 | ||||
| 248 | H | 41.6 | Very low | 42.1 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | -147.1 | 139.4 | 128.2 | -153.1 | -87.2 | 0 | 0 | 0 | 110.6 | Y251 | H248-Y251 AromaticContact CE1-CE1 3.88Š| |||
| 249 | I | 41.8 | Very low | 41.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -97.1 | 155.8 | 174.8 | -139.1 | 71.1 | 0 | 0 | 0 | 109.6 | ||||
| 250 | G | 36.4 | Very low | 40.9 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -70.8 | 163.5 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 251 | Y | 39 | Very low | 40.6 | Very low | 213 Ų | 213 | 135.1 Ų | 135.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 162.3 | 149.3 | 45.5 | -102.2 | 0 | 0 | 0 | 109.4 | H248 | H248-Y251 AromaticContact CE1-CE1 3.88Š| ||
| 252 | S | 40.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -131.3 | -176.5 | -172 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 253 | V | 34 | Very low | 39.4 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 84 | 172.3 | -165.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 254 | N | 36.1 | Very low | 39.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 28.1 | 127.3 | 115.9 | -176.3 | 29.9 | 0 | 0 | 0 | 120.5 | |||||
| 255 | V | 36 | Very low | 39.7 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | -152.5 | 130 | 128.6 | -96.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 256 | N | 33.1 | Very low | 40.5 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 29.9 | 114.2 | 149.4 | -69.2 | 4.4 | 0 | 0 | 0 | 122.8 | ||||
| 257 | S | 36.3 | Very low | 40.1 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | 47.9 | 113.6 | 116.2 | 175.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 258 | L | 40.2 | Very low | 40.1 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -146.2 | 144.4 | 133.2 | -148 | 71.4 | 0 | 0 | 0 | 111.2 | ||||
| 259 | S | 35.9 | Very low | 39.9 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -92.9 | 138.6 | -177 | -46.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 260 | Y | 33.2 | Very low | 40 | Very low | 226 Ų | 226 | 134.7 Ų | 134.7 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -154.3 | 162.4 | 134.1 | -143.2 | -101.7 | 0 | 0 | 0 | 113.7 | ||||
| 261 | D | 41.4 | Very low | 40.5 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 157.1 | -179.3 | -174.8 | 43.4 | 0 | 0 | 0 | 113.1 | ||||
| 262 | A | 37.4 | Very low | 40.3 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -135.2 | 110.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 263 | P | 45 | Very low | 40.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 147.2 | -160.4 | 30.8 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 264 | S | 46.3 | Very low | 40.6 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84 | 134.7 | 167.4 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 265 | P | 52.7 | Low | 40.4 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 151.3 | 173.7 | 29.4 | -33.3 | 0 | 0 | 0 | 111.9 | ||
| 266 | P | 53.8 | Low | 40.7 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 170.3 | -160.1 | 36.2 | -38.7 | 0 | 0 | 0 | 115.2 | ||
| 267 | S | 42.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -133.9 | 101.1 | 175.3 | 167.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 268 | F | 38.6 | Very low | 41.4 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -176.8 | 157.7 | 158.3 | -127.1 | -116.5 | 0 | 0 | 0 | 108.7 | ||||
| 269 | A | 36.9 | Very low | 41.3 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 53% | 0.529 | 79% | 0.787 | S | S | . | * | cis | -170.7 | 134.6 | -43.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 270 | K | 44.4 | Very low | 41.6 | Very low | 203 Ų | 203 | 138.2 Ų | 138.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 67.2 | 168.3 | 155.3 | -79.7 | 172 | -177.1 | 177.3 | 0 | 115.9 | ||||
| 271 | P | 46.4 | Very low | 41.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -141.4 | 162.2 | 26.2 | 44.1 | -25.3 | 0 | 0 | 0 | 120.1 | ||||
| 272 | Q | 35.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 58.1 | 156.9 | 164.5 | -56.7 | -59.7 | 1.2 | 0 | 0 | 117.9 | ||||
| 273 | Q | 42.6 | Very low | 41.6 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | cis | -118.7 | 148.5 | 3.2 | -73.1 | -76.4 | -15.9 | 0 | 0 | 110.9 | ||||
| 274 | N | 39.1 | Very low | 41.6 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -150.4 | 116.5 | 159.7 | -154.3 | -7.5 | 0 | 0 | 0 | 109.3 | ||||
| 275 | M | 32.2 | Very low | 41.7 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -95.4 | 140 | -170.4 | -165.7 | 65.6 | 73.6 | 0 | 0 | 111.1 | ||||
| 276 | Y | 41.8 | Very low | 40.8 | Very low | 222 Ų | 222 | 139.5 Ų | 139.5 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 151.7 | -171.7 | -55.4 | -90.3 | 0 | 0 | 0 | 113.6 | ||||
| 277 | G | 37.3 | Very low | 39.7 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -168.1 | 59.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 278 | L | 47.6 | Very low | 39.1 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 97% | 0.974 | 80% | 0.803 | S | S | * | * | trans | -81.1 | 120.7 | 167 | -80.9 | 169.6 | 0 | 0 | 0 | 109.8 | ||||
| 279 | A | 36.9 | Very low | 39.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -145.7 | 116.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 280 | A | 42.5 | Very low | 39.5 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -104.4 | 179.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 281 | Y | 33.8 | Very low | 39 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 83.3 | 129.6 | 174.7 | -58.3 | -78.9 | 0 | 0 | 0 | 118.4 | ||||
| 282 | T | 40.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | 62.9 | 139.6 | 146.6 | 51.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 283 | A | 37.3 | Very low | 38.4 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | cis | -163.6 | -143.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 284 | P | 46.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | cis | -117.1 | -161.4 | -45.8 | 30.5 | -10.6 | 0 | 0 | 0 | 111.9 | ||||
| 285 | L | 46.6 | Very low | 37.4 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -87.7 | 154 | -175.6 | -63.1 | 165 | 0 | 0 | 0 | 114.6 | ||||
| 286 | G | 35.1 | Very low | 37.9 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | 97.7 | 131.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 287 | G | 30.1 | Very low | 37.4 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -179.2 | 107.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 288 | C | 29.4 | Very low | 37.5 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 86% | 0.858 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 163.7 | -172.3 | -56.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 289 | I | 38.1 | Very low | 36.5 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -20.6 | 154.1 | 162.8 | -13.5 | 175.9 | 0 | 0 | 0 | 117.8 | ||||
| 290 | P | 46.4 | Very low | 36.3 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -143.9 | 143.6 | 108.9 | 36.3 | -22.2 | 0 | 0 | 0 | 118.2 | |||||
| 291 | Q | 34.1 | Very low | 35.7 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | trans | 44 | 115.2 | 141.5 | -49.9 | -56.7 | -2.9 | 0 | 0 | 121 | ||||
| 292 | Q | 32.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | 75 | 110.1 | 71.3 | -75.8 | -163.9 | 22.5 | 0 | 0 | 117.8 | |||||
| 293 | K | 35.1 | Very low | 35.7 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -152.1 | 96 | 133.5 | -90.9 | -173.2 | -179.2 | 177 | 0 | 107.6 | ||||
| 294 | R | 31.2 | Very low | 35.8 | Very low | 219 Ų | 219 | 147 Ų | 147 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | 50.6 | 110.5 | 97.3 | -92.8 | -169.9 | 179.5 | 160.8 | 1.6 | 115.6 | |||||
| 295 | Y | 29.9 | Very low | 35.4 | Very low | 236 Ų | 236 | 148.2 Ų | 148.2 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | -146.5 | 159 | 117.8 | -112 | -93.9 | 0 | 0 | 0 | 107.6 | |||||
| 296 | P | 43.2 | Very low | 35 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -114.2 | 166.7 | -154.8 | 40.9 | -32.3 | 0 | 0 | 0 | 116.2 | ||||
| 297 | G | 31.2 | Very low | 34.8 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 90.2 | 134.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 298 | S | 40 | Very low | 35 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -148.6 | 144.7 | -7.9 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 299 | E | 26.7 | Very low | 35.2 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -35 | 145.3 | 153.6 | 54.3 | -129.6 | 90.5 | 0 | 0 | 113.8 | ||||
| 300 | Y | 32.5 | Very low | 35.1 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | cis | -142.5 | 163.9 | 48 | -143.7 | -99.2 | 0 | 0 | 0 | 115.1 | ||||
| 301 | E | 30 | Very low | 34.7 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 66% | 0.659 | 79% | 0.787 | S | S | * | * | trans | -102.1 | 155.5 | -172.6 | -170.1 | 178.7 | 120.9 | 0 | 0 | 112.9 | H303 | E301-H303 IonicContact OE1-CD2 3.49Å; E301-H303 PolarHBondContact OE1-CD2 3.35Å; E301-H303 VanDerWaalsContact OE1-CD2 3.29Å; E301-H303 IonicContact OE1-CG 2.95Å | ||
| 302 | H | 35.6 | Very low | 34.7 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -136.5 | 78.9 | 170.1 | -172.4 | -75 | 0 | 0 | 0 | 111.8 | ||||
| 303 | H | 37.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -107.1 | 166.1 | 166.9 | -74.6 | -35 | 0 | 0 | 0 | 111.9 | E301 | E301-H303 IonicContact OE1-CD2 3.49Å; E301-H303 PolarHBondContact OE1-CD2 3.35Å; E301-H303 VanDerWaalsContact OE1-CD2 3.29Å; E301-H303 IonicContact OE1-CG 2.95Å | ||
| 304 | S | 40.1 | Very low | 35 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -118.4 | 172.7 | -147.4 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 305 | M | 37.4 | Very low | 35.2 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 90.1 | 117.7 | 165.3 | -62.9 | -65.8 | 109.3 | 0 | 0 | 118.8 | ||||
| 306 | Q | 38.6 | Very low | 36.1 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | 77.4 | 97.5 | 125.5 | -163 | 168.1 | 14.5 | 0 | 0 | 118.4 | |||||
| 307 | G | 30.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -155.4 | 108.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 308 | N | 35.3 | Very low | 36.2 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 138.3 | -178.9 | 172.4 | 48.8 | 0 | 0 | 0 | 113.7 | ||||
| 309 | G | 32.8 | Very low | 35.9 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 139.8 | 111.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 310 | G | 35.3 | Very low | 37.2 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | 96.1 | 143.4 | 129.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 311 | F | 38.1 | Very low | 37.5 | Very low | 207 Ų | 207 | 131.9 Ų | 131.9 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | 75.5 | 85.1 | 149.6 | -49.6 | -68.6 | 0 | 0 | 0 | 121.8 | ||||
| 312 | A | 35.9 | Very low | 38.2 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 70.4 | 145.1 | 122.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 313 | N | 35.7 | Very low | 38.3 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 72.1 | 142.7 | 169.1 | -60 | -51.5 | 0 | 0 | 0 | 117.9 | ||||
| 314 | A | 36.3 | Very low | 38.2 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | cis | -163.3 | 139.3 | -19.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 315 | N | 35.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 70 | 165.3 | 150.6 | -143.4 | -10 | 0 | 0 | 0 | 120.1 | ||||
| 316 | L | 49.4 | Very low | 38.3 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 94.6 | 176.2 | -58.9 | 143 | 0 | 0 | 0 | 113.7 | ||||
| 317 | Q | 42.5 | Very low | 38.6 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 51.6 | 123.5 | 66.9 | -55.4 | -148.9 | 25.8 | 0 | 0 | 114.1 | |||||
| 318 | G | 33.9 | Very low | 39.2 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | cis | 174.1 | 139.1 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 319 | S | 33.4 | Very low | 39.3 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 124.9 | -178.2 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 320 | P | 55.5 | Low | 39.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 124.4 | 171.5 | 30.6 | -32.1 | 0 | 0 | 0 | 111.1 | ||
| 321 | V | 38.4 | Very low | 40.4 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125 | 162.9 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 322 | Y | 44.5 | Very low | 41.3 | Very low | 219 Ų | 219 | 133.3 Ų | 133.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 118.4 | 174.5 | -152 | -90.4 | 0 | 0 | 0 | 110.5 | ||
| 323 | V | 37.9 | Very low | 41.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 141.9 | 172.1 | 174 | 0 | 0 | 0 | 0 | 108.6 | ||
| 324 | G | 34.7 | Very low | 42.1 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 164.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 325 | G | 37.4 | Very low | 42.3 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -150.7 | 130.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 326 | N | 41.6 | Very low | 43 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -75 | 136.4 | 172.3 | -66 | 0.6 | 0 | 0 | 0 | 109.6 | ||||
| 327 | F | 46.1 | Very low | 43 | Very low | 210 Ų | 210 | 131.5 Ų | 131.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 164.9 | 149.2 | -97.4 | -71.7 | 0 | 0 | 0 | 110.5 | ||||
| 328 | V | 43.3 | Very low | 43 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -105.7 | 152.3 | -155.4 | -67.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 329 | D | 37.9 | Very low | 43.3 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | 26.4 | 116.1 | 141 | -145.6 | -48.3 | 0 | 0 | 0 | 119.6 | ||||
| 330 | S | 40.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -165.1 | 110.1 | 142.2 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 331 | M | 50.1 | Low | 42.9 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | trans | -114.5 | 137 | 172.8 | -162.4 | 71.3 | 168.1 | 0 | 0 | 110.2 | ||||
| 332 | P | 56.6 | Low | 43.1 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -112.2 | 117.7 | 155.7 | 33.1 | -24.6 | 0 | 0 | 0 | 110.4 | ||||
| 333 | A | 38.9 | Very low | 42.7 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 146.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 334 | S | 50 | Low | 43.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -135.8 | 124.4 | 158.4 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 335 | G | 39.9 | Very low | 43.7 | Very low | 64 Ų | 64 | 140.2 Ų | 140.2 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 336 | P | 51.3 | Low | 44.6 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.6 | -179.3 | 29.9 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 337 | M | 49.4 | Very low | 44.4 | Very low | 185 Ų | 185 | 141 Ų | 141 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 119.6 | 166 | -78.3 | -172 | 68.7 | 0 | 0 | 110.8 | ||
| 338 | F | 42.3 | Very low | 44.2 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141.5 | 164.4 | -46.7 | -90.2 | 0 | 0 | 0 | 109.4 | ||
| 339 | N | 39.7 | Very low | 44.3 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -142.1 | 140.9 | 162.3 | -159.4 | -1.8 | 0 | 0 | 0 | 109.9 | ||||
| 340 | L | 44.3 | Very low | 44.6 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -131.3 | 109.4 | -166.5 | -162.9 | 75.9 | 0 | 0 | 0 | 108.5 | ||||
| 341 | G | 36.6 | Very low | 45.4 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 104.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 342 | H | 42.3 | Very low | 45 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | trans | -59.5 | 146.7 | -175.3 | -59 | -105.7 | 0 | 0 | 0 | 115.1 | ||||
| 343 | L | 36 | Very low | 44 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -152.2 | 148.2 | 137.2 | -129.6 | 72.1 | 0 | 0 | 0 | 108.7 | ||||
| 344 | P | 51 | Low | 44.2 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 153.9 | -162.2 | 36.8 | -33.8 | 0 | 0 | 0 | 115.6 | ||
| 345 | H | 42.1 | Very low | 43.6 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 140.5 | 163.9 | -64.1 | -89.6 | 0 | 0 | 0 | 110.9 | ||
| 346 | P | 56.4 | Low | 43.3 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 139.2 | 164.4 | 32.1 | -32.5 | 0 | 0 | 0 | 111 | ||
| 347 | S | 37.3 | Very low | 42.6 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 153.3 | -179.5 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 348 | S | 43.6 | Very low | 42 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.5 | 161.2 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 349 | A | 45 | Very low | 42.1 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -124.8 | 135.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 350 | S | 43.3 | Very low | 42.7 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -87.5 | 136.3 | 173 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 351 | V | 56.4 | Low | 42.3 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -142.4 | 140.7 | 164.7 | -159.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 352 | D | 42.1 | Very low | 42.2 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -93.9 | 176.2 | -165.6 | -64.6 | -88.5 | 0 | 0 | 0 | 115.4 | ||||
| 353 | Y | 36.7 | Very low | 42.3 | Very low | 222 Ų | 222 | 133.4 Ų | 133.4 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -53.1 | 135.2 | 173.7 | -115.9 | -111 | 0 | 0 | 0 | 114.1 | ||||
| 354 | S | 43.4 | Very low | 42.6 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | 163.2 | 148.8 | 111.8 | -71.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 355 | C | 36.9 | Very low | 41.9 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 44.1 | 110.9 | 146.9 | 67.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 356 | A | 33.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | -170.8 | 123.9 | 122.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 357 | A | 35.9 | Very low | 41.5 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | cis | 94.6 | 95.4 | 29.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 358 | Q | 36.6 | Very low | 41.4 | Very low | 199 Ų | 199 | 131 Ų | 131 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -168 | 148.8 | 140.8 | -107.4 | 163.8 | 22.6 | 0 | 0 | 112.8 | ||||
| 359 | I | 45.1 | Very low | 41.1 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 168.7 | 172.4 | -31 | 178.1 | 0 | 0 | 0 | 106.7 | ||||
| 360 | P | 51.3 | Low | 41.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -147.2 | 147.4 | 106.3 | 34.5 | -17.9 | 0 | 0 | 0 | 118.4 | |||||
| 361 | G | 37.3 | Very low | 41.3 | Very low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | trans | 81.7 | 166.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 362 | N | 33.6 | Very low | 41.1 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -156.4 | 146.4 | -19.2 | -106.5 | 12.2 | 0 | 0 | 0 | 106.6 | ||||
| 363 | H | 45 | Very low | 40.8 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | 67.8 | 115.1 | 55.1 | -66.3 | 31.8 | 0 | 0 | 0 | 112.8 | |||||
| 364 | H | 41.5 | Very low | 40.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | cis | -140 | -161.6 | -2.5 | -63.7 | -73.5 | 0 | 0 | 0 | 108.3 | ||||
| 365 | H | 36.3 | Very low | 40.8 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | cis | -149.3 | -164.7 | 13.7 | -67.9 | -89.2 | 0 | 0 | 0 | 110.6 | ||||
| 366 | G | 33.2 | Very low | 40.8 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -151.9 | -148.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 367 | P | 57.1 | Low | 41.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | cis | -130.3 | 165.1 | -41.6 | 40.2 | -27.4 | 0 | 0 | 0 | 112.8 | ||||
| 368 | C | 35.9 | Very low | 41.2 | Very low | 138 Ų | 138 | 136 Ų | 136 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | trans | -168.4 | 145.9 | 157.1 | -128.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 369 | D | 37.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | -137.4 | 152.3 | 170.7 | -142.3 | -38.6 | 0 | 0 | 0 | 105.6 | ||||
| 370 | P | 56.7 | Low | 41.3 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | -157.6 | 155.6 | 80.7 | 41 | -20.2 | 0 | 0 | 0 | 119 | |||||
| 371 | H | 36.3 | Very low | 40.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 77.5 | 154.4 | 142 | -103.4 | -116.9 | 0 | 0 | 0 | 122.2 | ||||
| 372 | P | 51.4 | Low | 41 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -113.6 | 168.8 | -167.3 | 42.2 | -31.9 | 0 | 0 | 0 | 115.1 | ||||
| 373 | T | 36.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -125.7 | 127.1 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 374 | Y | 35.3 | Very low | 41.3 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -49.2 | 137.1 | 170.6 | -173.3 | -87.1 | 0 | 0 | 0 | 116.2 | D376 | Y374-D376 HydrophobicContact CE1-CB 4.34Š| ||
| 375 | T | 44.6 | Very low | 41.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -145.9 | 131.2 | 149.1 | -34.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 376 | D | 36.4 | Very low | 41.6 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 60% | 0.599 | 78% | 0.779 | S | S | * | * | trans | -128 | 172.4 | 169.4 | -163.9 | -15.4 | 0 | 0 | 0 | 107.5 | Y374 | Y374-D376 HydrophobicContact CE1-CB 4.34Š| ||
| 377 | L | 40.8 | Very low | 42.4 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 70.9 | 119.3 | 171.6 | -51.9 | 169.6 | 0 | 0 | 0 | 117.1 | ||||
| 378 | T | 36.2 | Very low | 42 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | -166.5 | 132.1 | 100 | -75 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 379 | S | 37 | Very low | 42.6 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 134.6 | -179.3 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 380 | H | 46.6 | Very low | 43.3 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | -117.1 | 152 | 158.6 | -89 | -74.4 | 0 | 0 | 0 | 112.8 | ||||
| 381 | H | 42.9 | Very low | 43.6 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -132.8 | 129.6 | -154.4 | 33.2 | -94.6 | 0 | 0 | 0 | 108.8 | ||||
| 382 | A | 41.1 | Very low | 44.4 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -141.6 | 108.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 383 | S | 39.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 31.6 | 119.8 | 148.4 | 56.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 384 | Q | 43.9 | Very low | 46.1 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -49 | 139.7 | 171.3 | -58.3 | 174.3 | -7.1 | 0 | 0 | 115.1 | ||||
| 385 | G | 44.1 | Very low | 47.1 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -117.1 | 93.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | I387 | G385-I387 PolarHBondContact O-N 3.44Š| ||
| 386 | R | 41.3 | Very low | 47.7 | Very low | 234 Ų | 234 | 151.8 Ų | 151.8 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -25.9 | 119.4 | -179.8 | -166.6 | 178.6 | -159.8 | 146.9 | 3.5 | 116.8 | ||||
| 387 | I | 48.6 | Very low | 48.2 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.9 | 166.8 | -47.1 | 169.3 | 0 | 0 | 0 | 109.2 | G385 | G385-I387 PolarHBondContact O-N 3.44Š|
| 388 | Q | 48.3 | Very low | 48.6 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 121.9 | 165.6 | -69.1 | -172.7 | 51 | 0 | 0 | 109.3 | ||
| 389 | E | 48.7 | Very low | 49.3 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 84% | 0.841 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 146.9 | -179.4 | -59.6 | -164.8 | 137.6 | 0 | 0 | 111.8 | ||
| 390 | A | 52 | Low | 50 | Low | 90 Ų | 90 | 159.5 Ų | 159.5 | 74% | 0.744 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 127.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | K392 | A390-K392 PolarHBondContact O-N 3.21Š|
| 391 | P | 63.4 | Low | 50.2 | Low | 123 Ų | 123 | 158.9 Ų | 158.9 | 80% | 0.799 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.5 | 178.4 | -25 | 35 | 0 | 0 | 0 | 112.7 | L393 | P391-L393 PolarHBondContact O-N 3.19Š|
| 392 | K | 52.9 | Low | 50.7 | Low | 202 Ų | 202 | 159.3 Ų | 159.3 | 88% | 0.878 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.4 | 165.1 | -77.4 | 172.9 | 175.1 | 168.5 | 0 | 109.1 | A390 T394 | A390-K392 PolarHBondContact O-N 3.21Å; K392-T394 PolarHBondContact O-N 3.31Å |
| 393 | L | 56.9 | Low | 51.4 | Low | 173 Ų | 173 | 163.9 Ų | 163.9 | 91% | 0.906 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.8 | 160.5 | -123.4 | 78.8 | 0 | 0 | 0 | 108.7 | P391 | P391-L393 PolarHBondContact O-N 3.19Š|
| 394 | T | 67.3 | Low | 52.3 | Low | 126 Ų | 126 | 167.3 Ų | 167.3 | 77% | 0.773 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 147.1 | 171.5 | 43.9 | 0 | 0 | 0 | 0 | 110.7 | K392 | K392-T394 PolarHBondContact O-N 3.31Š|
| 395 | H | 57 | Low | 53 | Low | 186 Ų | 186 | 164.6 Ų | 164.6 | 86% | 0.861 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 140 | 170.2 | -93.2 | -95.8 | 0 | 0 | 0 | 112.3 | ||
| 396 | L | 55.6 | Low | 53.8 | Low | 242 Ų | 242 | 172.5 Ų | 172.5 | 100% | 1.267 | 87% | 0.874 | S | S | * | * | trans | -136.7 | 0 | 141.7 | -89.4 | 169.4 | 0 | 0 | 0 | 106.8 |
Retrieved 396 of 396 residues in 167.4 ms
(Link to these results)