| 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 | 36.6 | Very low | 35.4 | Very low | 248 Ų | 248 | 162.4 Ų | 162.4 | 100% | 1.222 | 85% | 0.847 | S | S | * | * | 0 | 172 | 0 | -74.5 | 168 | 164.4 | 0 | 0 | 108.9 | |||||
| 2 | A | 35.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 163.3 Ų | 163.3 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | trans | -26.5 | 137.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | Q | 33 | Very low | 35 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | cis | 88 | 125.8 | 14 | -142.7 | -165.4 | 25.9 | 0 | 0 | 117.1 | ||||
| 4 | W | 31.8 | Very low | 34.7 | Very low | 225 Ų | 225 | 152.5 Ų | 152.5 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | trans | 84 | 147.5 | 164.3 | -64.8 | 108.8 | 0 | 0 | 0 | 123 | ||||
| 5 | G | 36.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 157.6 Ų | 157.6 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | 97.3 | 104.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 6 | S | 37.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | cis | 90.9 | 87.7 | 13.8 | -169.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 7 | Y | 36.1 | Very low | 34.6 | Very low | 243 Ų | 243 | 150.2 Ų | 150.2 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | trans | -163.6 | 153.2 | 150.7 | -96.8 | -77.4 | 0 | 0 | 0 | 107.4 | ||||
| 8 | G | 37 | Very low | 34.6 | Very low | 68 Ų | 68 | 155.1 Ų | 155.1 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | cis | -165.4 | 173.2 | -3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | S | 34.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 157.7 Ų | 157.7 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -81 | 155.7 | -170.9 | -47.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 10 | Y | 34.4 | Very low | 34.4 | Very low | 198 Ų | 198 | 157.2 Ų | 157.2 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | 177.6 | 129.6 | 114.5 | -112.4 | -84.9 | 0 | 0 | 0 | 113 | |||||
| 11 | W | 36.6 | Very low | 34.4 | Very low | 252 Ų | 252 | 158.6 Ų | 158.6 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | trans | -178.1 | 125.8 | 136.5 | -97.8 | 111.2 | 0 | 0 | 0 | 108.5 | ||||
| 12 | Q | 32.4 | Very low | 34.4 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 138.7 | 176.9 | -71.8 | -179.6 | -13.2 | 0 | 0 | 110.6 | ||||
| 13 | G | 33.2 | Very low | 34.5 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -160.2 | 107.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | A | 31.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -87.9 | 132.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | Y | 36.8 | Very low | 34.6 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -135.6 | 142.3 | 159.3 | -92.2 | -89.8 | 0 | 0 | 0 | 109.2 | ||||
| 16 | P | 34.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 150.3 | -173.4 | 30.1 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 17 | G | 29.9 | Very low | 34.7 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 137.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 18 | Y | 34.4 | Very low | 34.8 | Very low | 238 Ų | 238 | 140 Ų | 140 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.8 | 166.3 | -113.4 | -100.7 | 0 | 0 | 0 | 110.3 | ||
| 19 | Y | 35 | Very low | 35.4 | Very low | 205 Ų | 205 | 141.4 Ų | 141.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 131.7 | -176.6 | -82.4 | -100.4 | 0 | 0 | 0 | 112.5 | ||
| 20 | D | 30.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.5 | 163.5 | -173.7 | 10.1 | 0 | 0 | 0 | 109.7 | A22 | D20-A22 PolarHBondContact OD1-N 3.43Š|
| 21 | Y | 34.6 | Very low | 36.6 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -108.6 | 51.6 | -177.9 | -113 | -81.9 | 0 | 0 | 0 | 111.3 | Q23 | Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.22Å | ||
| 22 | A | 36.5 | Very low | 37.2 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | trans | -65.9 | 85.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D20 P24 | D20-A22 PolarHBondContact OD1-N 3.43Å; A22-P24 WeakPolarHBondContact O-CD 3.24Å | ||
| 23 | Q | 37.7 | Very low | 37.7 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | trans | -64 | 122.8 | 173 | -83.3 | -87.1 | -70.2 | 0 | 0 | 110.7 | Y21 | Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.22Å | ||
| 24 | P | 34.3 | Very low | 37.8 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | trans | -71.3 | 149.6 | 172.8 | 30.5 | -34.4 | 0 | 0 | 0 | 110.8 | A22 Q26 | A22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-Q26 PolarHBondContact O-N 3.16Å | ||
| 25 | A | 34 | Very low | 38.3 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | trans | -68.7 | 116 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T27 | A25-T27 PolarHBondContact O-N 3.3Š| ||
| 26 | Q | 36.4 | Very low | 38.3 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 42% | 0.421 | 67% | 0.666 | S | S | . | * | trans | -85.7 | 110.2 | 176.8 | -68.1 | -177.6 | -11.8 | 0 | 0 | 110.7 | P24 Y28 | P24-Q26 PolarHBondContact O-N 3.16Å; Q26-Y28 HydrophobicContact CB-CE2 4.35Å | ||
| 27 | T | 37.7 | Very low | 38.6 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 131.5 | 163.3 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | A25 | A25-T27 PolarHBondContact O-N 3.3Š|
| 28 | Y | 38.8 | Very low | 39.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | B | Isolated β-bridge | trans | -94.8 | 132.9 | 179.1 | -66.6 | -94.4 | 0 | 0 | 0 | 110.7 | Q26 T34 | Q26-Y28 HydrophobicContact CB-CE2 4.35Å; Y28-T34 HydrophobicContact CD1-CG2 4.26Å; Y28-T34 HydrophobicContact CE1-CG2 3.52Å |
| 29 | D | 50.2 | Low | 39 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 166.6 | 164.8 | -176.4 | 32.9 | 0 | 0 | 0 | 110.7 | N31 H32 | D29-N31 PolarHBondContact O-N 3.45Å; D29-H32 PolarHBondContact O-N 2.87Å |
| 30 | Y | 39.3 | Very low | 39.3 | Very low | 146 Ų | 146 | 120.6 Ų | 120.6 | 57% | 0.573 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.5 | -29.4 | -176.8 | -173.1 | -95.8 | 0 | 0 | 0 | 115.6 | Y258 | Y30-Y258 HydrophobicContact CE2-CE1 4.03Å; Y30-Y258 AromaticContact CE2-CZ 3.77Å; Y30-Y258 WeakPolarHBondContact CE2-OH 3.12Å; Y30-Y258 AromaticContact CZ-CE1 3.98Å; Y30-Y258 WeakPolarHBondContact OH-CE1 3.45Å; Y30-Y258 PolarHBondContact OH-OH 2.94Å |
| 31 | N | 55.7 | Low | 39.5 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 14.7 | 179.3 | -66.5 | -63 | 0 | 0 | 0 | 114.4 | D29 Q33 | D29-N31 PolarHBondContact O-N 3.45Å; N31-Q33 HydrophobicContact CB-CG 4.36Å; N31-Q33 PolarHBondContact O-N 3.26Å; N31-Q33 VanDerWaalsContact O-N 3.1Å |
| 32 | H | 47.6 | Very low | 39.8 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 68% | 0.676 | 67% | 0.666 | S | S | * | * | trans | 55.5 | 20.6 | -176.4 | -71.7 | -78.9 | 0 | 0 | 0 | 115.8 | D29 | D29-H32 PolarHBondContact O-N 2.87Š| ||
| 33 | Q | 43 | Very low | 39.8 | Very low | 137 Ų | 137 | 125 Ų | 125 | 64% | 0.64 | 68% | 0.676 | S | S | * | * | trans | -80.5 | 132.1 | 176 | -61.2 | -171.2 | 15.7 | 0 | 0 | 110.9 | N31 I35 | N31-Q33 HydrophobicContact CB-CG 4.36Å; N31-Q33 PolarHBondContact O-N 3.26Å; N31-Q33 VanDerWaalsContact O-N 3.1Å; Q33-I35 PolarHBondContact O-N 3.27Å | ||
| 34 | T | 36.8 | Very low | 39.8 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 47% | 0.466 | 68% | 0.679 | S | S | . | * | B | Isolated β-bridge | trans | -84.3 | 108.5 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | Y28 | Y28-T34 HydrophobicContact CD1-CG2 4.26Å; Y28-T34 HydrophobicContact CE1-CG2 3.52Å |
| 35 | I | 40 | Very low | 39.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | trans | -89.7 | 122 | 173.4 | -56.6 | 177.2 | 0 | 0 | 0 | 109.2 | Q33 | Q33-I35 PolarHBondContact O-N 3.27Š| ||
| 36 | P | 37.4 | Very low | 40.2 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -79.5 | 126.3 | 172.5 | 31.5 | -31.8 | 0 | 0 | 0 | 110.6 | ||||
| 37 | V | 40.7 | Very low | 40.6 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -90.1 | 115.1 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 38 | S | 40.7 | Very low | 41.3 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -83.7 | 142.5 | 176.2 | -66.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 39 | S | 33.5 | Very low | 42.1 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -69.2 | 145.6 | -178.7 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | V | 40.5 | Very low | 41.9 | Very low | 140 Ų | 140 | 128 Ų | 128 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -133.8 | 126.4 | 155.2 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 41 | Q | 34.4 | Very low | 42 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -95.3 | 140.5 | 158.9 | -64.2 | 170.2 | -129.7 | 0 | 0 | 106 | ||||
| 42 | D | 39.8 | Very low | 41.4 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | -166.9 | 176.4 | 73.5 | -93.8 | -43.3 | 0 | 0 | 0 | 113.1 | |||||
| 43 | K | 36.9 | Very low | 40.9 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 162.7 | 171 | -89.9 | -177.5 | 177.6 | -177.4 | 0 | 109 | ||||
| 44 | P | 37.4 | Very low | 40.7 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -151.1 | -162.5 | 41.4 | 44.4 | -23 | 0 | 0 | 0 | 116.9 | ||||
| 45 | S | 37.9 | Very low | 41 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 73.6 | 154.5 | 166.5 | 80.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 46 | T | 38.6 | Very low | 41.3 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -142.4 | 124.5 | -167.6 | -54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 47 | P | 46.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 144.9 | 164 | 34.9 | -28.9 | 0 | 0 | 0 | 111.7 | ||
| 48 | P | 52.6 | Low | 41.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78 | 163.5 | 171.6 | 33.2 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 49 | P | 54.1 | Low | 41.9 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 152.2 | -176.6 | 32.3 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 50 | P | 47.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -98 | 156.8 | -179.2 | 37.2 | -34.7 | 0 | 0 | 0 | 114.5 | ||
| 51 | G | 41 | Very low | 42 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | 115.3 | 43.7 | 122.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 52 | V | 42.2 | Very low | 42 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -139.2 | 131.2 | 151.5 | -166.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 53 | E | 38.1 | Very low | 41.9 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | cis | -149.7 | 169 | 27.4 | -145.5 | 151.3 | -148.1 | 0 | 0 | 111.5 | ||||
| 54 | S | 38.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -104.5 | 148.8 | 158.7 | -63.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 55 | T | 43.3 | Very low | 41.5 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -158.2 | 133.9 | 49 | 41.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 56 | V | 46 | Very low | 41.2 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 64.2 | 140.5 | 129.1 | 179.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 57 | P | 45.5 | Very low | 41 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -127.9 | -174 | -157.1 | 44.5 | -28.3 | 0 | 0 | 0 | 115.4 | ||||
| 58 | K | 41.4 | Very low | 40.6 | Very low | 198 Ų | 198 | 125.6 Ų | 125.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 144 | 151.6 | 152.7 | -87.8 | 178.3 | 179.2 | -174.8 | 0 | 110.8 | ||||
| 59 | V | 44.1 | Very low | 40.2 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | cis | -162.2 | 153.3 | -24.1 | 96.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 60 | D | 37.6 | Very low | 39.5 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 42.7 | 141.4 | 164 | -51.2 | -19.3 | 0 | 0 | 0 | 121.9 | ||||
| 61 | G | 39.4 | Very low | 39.2 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 150.8 | 61.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 62 | N | 34.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 33.2 | 143.6 | 137.6 | -134.2 | 6.5 | 0 | 0 | 0 | 124.2 | ||||
| 63 | V | 36.6 | Very low | 39.2 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | trans | 75.5 | 103.7 | 157.8 | -167.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 64 | T | 31.6 | Very low | 39.2 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | 23.1 | 146 | 123.8 | -28.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 65 | V | 34.3 | Very low | 39.5 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | 120.9 | 97.5 | 147 | -178.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 66 | T | 31.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 49.7 | 146.1 | 145.8 | 62.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 67 | S | 34.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 80.2 | 153.3 | 154.2 | 83.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 68 | S | 38.4 | Very low | 38.2 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | cis | -144.3 | 174.4 | 9.2 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 69 | I | 43.1 | Very low | 37.9 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | trans | -113.8 | 155.6 | 174.4 | -22.8 | 177 | 0 | 0 | 0 | 109.4 | ||||
| 70 | P | 40.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -131.5 | 147.2 | 105.7 | 8.9 | 13.5 | 0 | 0 | 0 | 112.3 | |||||
| 71 | A | 41.7 | Very low | 37.6 | Very low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 71.1 | 142.8 | 60.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 72 | T | 41.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 137.4 | 22.1 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 73 | Y | 41.9 | Very low | 37.7 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | -176.5 | 156.7 | 122.4 | -135.3 | -101.1 | 0 | 0 | 0 | 112.2 | |||||
| 74 | D | 37.1 | Very low | 37.7 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -156.2 | -165.1 | -162.2 | -146.4 | 14.2 | 0 | 0 | 0 | 107.3 | ||||
| 75 | P | 46 | Very low | 37.8 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | cis | -137.6 | -178.3 | -15.1 | 42.2 | -25.1 | 0 | 0 | 0 | 116.1 | ||||
| 76 | S | 38.4 | Very low | 38 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | trans | 77 | 150 | 142.6 | 78.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 77 | W | 38 | Very low | 38.1 | Very low | 230 Ų | 230 | 134.4 Ų | 134.4 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | cis | -129.4 | 147.1 | 6.5 | -77.5 | 76.5 | 0 | 0 | 0 | 112.6 | ||||
| 78 | C | 29.4 | Very low | 38.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -159.4 | 121.1 | 168.5 | -144.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 79 | T | 35.3 | Very low | 38 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -149.8 | 129 | 173.8 | -50.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 80 | S | 34.9 | Very low | 37.5 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -55.6 | 156.8 | -178 | -40.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 81 | T | 41.2 | Very low | 37.2 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | -165.8 | 148.7 | 120.6 | 14.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 82 | P | 38.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -121.5 | 136.4 | -177.3 | 37.9 | -25.2 | 0 | 0 | 0 | 114.9 | ||||
| 83 | F | 38 | Very low | 36.5 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 128 | 163.3 | -118.5 | -84.3 | 0 | 0 | 0 | 115 | ||||
| 84 | H | 36.7 | Very low | 36.5 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 57.8 | 145.9 | 154.5 | -86.8 | 54.8 | 0 | 0 | 0 | 123.4 | ||||
| 85 | S | 34 | Very low | 36.5 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -94.6 | -174.8 | 178.2 | -41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 86 | P | 38.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -140.9 | 174.1 | 5.7 | 43 | -24.4 | 0 | 0 | 0 | 118.1 | ||||
| 87 | N | 32.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 23 | 124.3 | 148.3 | -60.5 | -13.7 | 0 | 0 | 0 | 120.7 | ||||
| 88 | F | 37.6 | Very low | 37.1 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -131.1 | 129.1 | 141.5 | -116.5 | -90 | 0 | 0 | 0 | 110.3 | ||||
| 89 | A | 33.6 | Very low | 38.3 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -128 | 128.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A91 | A89-A91 PolarHBondContact O-N 3.28Š| ||
| 90 | C | 33.7 | Very low | 38.7 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -85.8 | 110.8 | 175.3 | -75.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | A | 32.3 | Very low | 39 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -122.5 | 127.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A89 | A89-A91 PolarHBondContact O-N 3.28Š| ||
| 92 | Y | 34.6 | Very low | 39.1 | Very low | 237 Ų | 237 | 145 Ų | 145 | 93% | 0.929 | 79% | 0.791 | S | S | * | * | trans | -92 | 122.7 | 166.8 | -86.6 | -83.6 | 0 | 0 | 0 | 108.9 | ||||
| 93 | T | 33.9 | Very low | 39 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -133.5 | 144.1 | 172.3 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 94 | Y | 42.2 | Very low | 39.3 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 95% | 0.945 | 79% | 0.792 | S | S | * | * | trans | -141.8 | 109.8 | 159.1 | -117.5 | -86 | 0 | 0 | 0 | 108.9 | ||||
| 95 | S | 37.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -94.4 | -171.8 | 167.1 | -61 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 96 | P | 48.2 | Very low | 39.6 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -130.3 | -158.5 | 5.1 | 29.7 | -1.9 | 0 | 0 | 0 | 111.4 | ||||
| 97 | T | 44.3 | Very low | 39.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | -162.4 | 144.1 | 19.6 | -34.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 98 | V | 43.3 | Very low | 40.2 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 134.6 | 160.5 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 99 | P | 54.9 | Low | 40.4 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -92.6 | 155.6 | 178.1 | 35.4 | -34.2 | 0 | 0 | 0 | 114.5 | ||||
| 100 | P | 42.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -125.5 | -172.6 | -170.5 | 43.5 | -30.5 | 0 | 0 | 0 | 116.7 | ||||
| 101 | R | 41.6 | Very low | 41.5 | Very low | 220 Ų | 220 | 144.7 Ų | 144.7 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 93.6 | 150.4 | 176.9 | -57.7 | -176.7 | 171.2 | -159.5 | -3.2 | 114.3 | ||||
| 102 | Q | 43.3 | Very low | 41.9 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | cis | -156.5 | 154.4 | 15 | -145.5 | 161.3 | 0.9 | 0 | 0 | 112.3 | ||||
| 103 | P | 36.5 | Very low | 42.2 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -123.1 | 146.1 | 179.3 | 39.4 | -28.1 | 0 | 0 | 0 | 117 | ||||
| 104 | V | 44 | Very low | 42.5 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -154.9 | 111 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 105 | M | 38.6 | Very low | 42.6 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | 81.9 | 110.1 | 74.5 | -75.3 | -71 | -164.1 | 0 | 0 | 117.2 | |||||
| 106 | F | 38.8 | Very low | 43 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 59 | 158.7 | 160.6 | -74.6 | -104.3 | 0 | 0 | 0 | 118.6 | ||||
| 107 | D | 38 | Very low | 42.5 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | cis | -145.3 | 163 | 13 | -163.5 | 46.1 | 0 | 0 | 0 | 111.2 | ||||
| 108 | P | 45.4 | Very low | 42.2 | Very low | 96 Ų | 96 | 146 Ų | 146 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | trans | -118.9 | 159.1 | -172.1 | 40.7 | -29.7 | 0 | 0 | 0 | 116.4 | ||||
| 109 | S | 41.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -176.3 | 161.8 | 138.6 | -89.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 110 | P | 48.1 | Very low | 41 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -123 | 167.7 | -160.8 | 42.1 | -30.1 | 0 | 0 | 0 | 116.4 | ||||
| 111 | Q | 42 | Very low | 41 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -138.7 | 169.2 | 153.9 | -103.5 | -178.8 | 10.3 | 0 | 0 | 112.5 | ||||
| 112 | R | 41.3 | Very low | 40.9 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -108.2 | 157.6 | -158.9 | -55.9 | 164.3 | 177.6 | 161.5 | -4 | 112.1 | ||||
| 113 | H | 40.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 170.7 | 127.9 | 100.3 | -92.1 | -75.9 | 0 | 0 | 0 | 115.1 | |||||
| 114 | M | 40.8 | Very low | 40.6 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 59.3 | 105.4 | 138.7 | -54.7 | -57.8 | 121.8 | 0 | 0 | 123.8 | ||||
| 115 | M | 43.2 | Very low | 40.3 | Very low | 170 Ų | 170 | 146 Ų | 146 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | 76.1 | 153.5 | 123.6 | -68.1 | -82.6 | 99.1 | 0 | 0 | 121.6 | |||||
| 116 | P | 45.4 | Very low | 40.6 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 165.9 | -167.2 | 42.5 | -27.8 | 0 | 0 | 0 | 116 | ||||
| 117 | N | 38 | Very low | 40.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -166.3 | 140.2 | 132.3 | -122.9 | -8.3 | 0 | 0 | 0 | 116.7 | ||||
| 118 | V | 37.7 | Very low | 40.3 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | 25.8 | 117.2 | 139.5 | 175.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 119 | S | 37.9 | Very low | 40 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | -175.6 | 140.1 | 113.1 | -77.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 120 | Y | 36.8 | Very low | 39.8 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 156.3 | 158.7 | -73.6 | -94 | 0 | 0 | 0 | 109.1 | ||||
| 121 | P | 42.4 | Very low | 39.2 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -152.7 | 164.7 | 107.1 | 39.3 | -23 | 0 | 0 | 0 | 117.5 | |||||
| 122 | S | 39 | Very low | 38.9 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 67 | 130.6 | 145.9 | -158.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 123 | Y | 38.2 | Very low | 38.6 | Very low | 235 Ų | 235 | 144.1 Ų | 144.1 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -44 | 148.7 | 158.2 | -69.5 | -101.5 | 0 | 0 | 0 | 115.5 | ||||
| 124 | G | 36.3 | Very low | 38.3 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | 178.2 | 81.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 125 | S | 37.6 | Very low | 38 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -107.2 | 172.8 | 167.1 | -44.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 126 | P | 43.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -133.8 | 175.2 | -4.3 | 41.1 | -25.3 | 0 | 0 | 0 | 114.6 | ||||
| 127 | Q | 38.3 | Very low | 36.7 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | -177.1 | 159.7 | 117.3 | -98.8 | -174.2 | 7.5 | 0 | 0 | 112.2 | |||||
| 128 | L | 33.8 | Very low | 36.4 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -114.2 | 162.7 | 177.9 | -66.8 | 165.9 | 0 | 0 | 0 | 109.1 | ||||
| 129 | P | 39.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -146.4 | 149.6 | 94.5 | 36.5 | -20.4 | 0 | 0 | 0 | 116.2 | |||||
| 130 | L | 35.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 45 | 146.4 | 130.6 | -54.6 | 176.6 | 0 | 0 | 0 | 120.6 | ||||
| 131 | H | 36.2 | Very low | 35.6 | Very low | 130 Ų | 130 | 143 Ų | 143 | 60% | 0.602 | 79% | 0.794 | S | S | * | * | cis | -167.8 | 137.7 | -0.5 | 141.3 | 97.2 | 0 | 0 | 0 | 109.8 | ||||
| 132 | M | 36.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -168.7 | 159.4 | 145.5 | -111.5 | -62.4 | 157 | 0 | 0 | 110.3 | ||||
| 133 | Q | 33.2 | Very low | 34.9 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -142.6 | 127.2 | -151.8 | 179 | 174.7 | -19.7 | 0 | 0 | 115.5 | ||||
| 134 | S | 34.1 | Very low | 34.5 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -156.6 | 96.9 | 161.7 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 135 | Q | 34.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | 69.1 | 72.2 | 96.7 | -68.1 | -74.6 | 17.2 | 0 | 0 | 115.5 | |||||
| 136 | L | 32.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -169.3 | 104.1 | 142.3 | -104.3 | 177.8 | 0 | 0 | 0 | 108.8 | ||||
| 137 | G | 29.9 | Very low | 33.6 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -158.9 | 91.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N139 | G137-N139 PolarHBondContact O-N 3.19Š| ||
| 138 | C | 30.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -81.3 | 116.1 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 111 | W140 | C138-W140 PolarHBondContact O-N 3.28Š| ||
| 139 | N | 31.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -68.3 | 116.3 | 179.7 | 179.9 | 11.4 | 0 | 0 | 0 | 112.1 | G137 N141 | G137-N139 PolarHBondContact O-N 3.19Å; N139-N141 VanDerWaalsContact C-N 3.28Å; N139-N141 PolarHBondContact O-N 3.02Å; N139-N141 PolarHBondContact OD1-N 3.13Å | ||
| 140 | W | 30.4 | Very low | 33.1 | Very low | 242 Ų | 242 | 142.1 Ų | 142.1 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 66.4 | 173 | -83.2 | 91.6 | 0 | 0 | 0 | 112.3 | C138 | C138-W140 PolarHBondContact O-N 3.28Š| ||
| 141 | N | 34.7 | Very low | 33 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -154.9 | 152.8 | 161.7 | -103.2 | -52.4 | 0 | 0 | 0 | 111.4 | N139 | N139-N141 VanDerWaalsContact C-N 3.28Å; N139-N141 PolarHBondContact O-N 3.02Å; N139-N141 PolarHBondContact OD1-N 3.13Å | ||
| 142 | A | 32.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | 67.2 | 60.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 143 | A | 33.7 | Very low | 32.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -145.7 | 117.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 144 | R | 29 | Very low | 32.5 | Very low | 225 Ų | 225 | 135.2 Ų | 135.2 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | trans | -118.2 | 102.9 | 173.5 | -92.7 | -175.1 | 165.7 | -133.8 | 4.2 | 110.3 | T146 | R144-T146 PolarHBondContact O-N 3.09Å; R144-T146 VanDerWaalsContact O-N 3.14Å | ||
| 145 | P | 35.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 103 | 159.6 | -8.7 | 25.5 | 0 | 0 | 0 | 107.8 | Y147 | P145-Y147 PolarHBondContact O-N 3.29Å; P145-Y147 VanDerWaalsContact O-N 3.15Å | ||
| 146 | T | 29.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -88.5 | 79.4 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | R144 G148 | R144-T146 PolarHBondContact O-N 3.09Å; R144-T146 VanDerWaalsContact O-N 3.14Å; T146-G148 PolarHBondContact O-N 2.9Å | ||
| 147 | Y | 34.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -89.8 | 95.5 | 164.8 | -93.3 | -76 | 0 | 0 | 0 | 110.1 | P145 Y149 | P145-Y147 PolarHBondContact O-N 3.29Å; P145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-Y149 HydrophobicContact CD1-CE2 4.22Å | ||
| 148 | G | 28.5 | Very low | 32.3 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -105.4 | 110.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T146 | T146-G148 PolarHBondContact O-N 2.9Š| ||
| 149 | Y | 36.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -107.5 | 130 | 164.2 | -80.1 | -75.4 | 0 | 0 | 0 | 110.2 | Y147 V151 | Y147-Y149 HydrophobicContact CD1-CE2 4.22Å; Y149-V151 PolarHBondContact O-N 3.41Å | ||
| 150 | P | 35.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 117.1 | -173.6 | 30.5 | -33.6 | 0 | 0 | 0 | 111.9 | N152 | P150-N152 VanDerWaalsContact C-N 3.34Å; P150-N152 PolarHBondContact O-N 2.87Å | ||
| 151 | V | 33.1 | Very low | 32.3 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 88.7 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | Y149 | Y149-V151 PolarHBondContact O-N 3.41Š| ||
| 152 | N | 34.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -96.9 | 100.8 | 172.7 | -122.3 | -9.4 | 0 | 0 | 0 | 109.5 | P150 G154 | P150-N152 VanDerWaalsContact C-N 3.34Å; P150-N152 PolarHBondContact O-N 2.87Å; N152-G154 PolarHBondContact O-N 2.96Å | ||
| 153 | G | 28.9 | Very low | 32.5 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -78 | 115.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | G | 31.1 | Very low | 32.8 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -165.5 | 139.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | N152 | N152-G154 PolarHBondContact O-N 2.96Š| ||
| 155 | A | 28.8 | Very low | 33 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -96.6 | -176.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 156 | V | 34.6 | Very low | 33.1 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 95.4 | 102.6 | 167.2 | -168.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 157 | Q | 33.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 7.2 | 141.2 | 137.2 | -54.7 | 175.6 | 11 | 0 | 0 | 121.2 | ||||
| 158 | S | 30.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 80.3 | 122.4 | 142.2 | -64.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 159 | F | 29 | Very low | 33.7 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | 57.2 | 120.4 | 139.5 | -83.9 | -92.6 | 0 | 0 | 0 | 121.2 | ||||
| 160 | G | 31 | Very low | 33.5 | Very low | 52 Ų | 52 | 137.4 Ų | 137.4 | 54% | 0.536 | 81% | 0.806 | S | S | . | * | trans | 160.7 | 84.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 161 | M | 33.1 | Very low | 33.9 | Very low | 172 Ų | 172 | 137 Ų | 137 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | 48.9 | 100.2 | 85.4 | -65.9 | -95 | 68.4 | 0 | 0 | 112.8 | |||||
| 162 | W | 37.6 | Very low | 34.1 | Very low | 240 Ų | 240 | 137.6 Ų | 137.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -119.2 | 127.1 | 163.8 | -72.5 | 65 | 0 | 0 | 0 | 107.7 | ||||
| 163 | P | 34.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -85 | -173.5 | 163.1 | 37.6 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 164 | D | 39 | Very low | 34.5 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 69 | 133 | 176.6 | -48.1 | -26.7 | 0 | 0 | 0 | 115.2 | ||||
| 165 | G | 33.2 | Very low | 34.6 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 161.6 | 90.3 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 166 | R | 37.2 | Very low | 35.1 | Very low | 256 Ų | 256 | 141.9 Ų | 141.9 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | trans | -137.4 | 140.5 | 168.3 | -78.4 | -167.3 | 171.9 | -124.5 | -2.9 | 111.3 | ||||
| 167 | S | 34.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -79.7 | 152 | -164.7 | -47.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 168 | S | 33.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -69.8 | 151.3 | 175.9 | -46.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 169 | V | 39.4 | Very low | 35.8 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -127.1 | 126.9 | 149.5 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 170 | H | 32.2 | Very low | 36.1 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -136.6 | 148.7 | 171.4 | -101.1 | -65 | 0 | 0 | 0 | 106.2 | ||||
| 171 | P | 42.9 | Very low | 36.3 | Very low | 103 Ų | 103 | 147 Ų | 147 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | -147.9 | 159.9 | 96.9 | 37.4 | -20.9 | 0 | 0 | 0 | 116.3 | |||||
| 172 | N | 36.9 | Very low | 36.6 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | 50.2 | 123.6 | 146.3 | -56.1 | -6.7 | 0 | 0 | 0 | 120.9 | ||||
| 173 | G | 34.8 | Very low | 36.5 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -170.7 | 46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 174 | L | 36.8 | Very low | 36.6 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 98% | 0.979 | 83% | 0.83 | S | S | * | * | trans | 62.5 | 169.8 | 168.1 | -65.1 | 165.9 | 0 | 0 | 0 | 117.4 | ||||
| 175 | A | 32.7 | Very low | 36.2 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -139.5 | 141.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 176 | V | 39.9 | Very low | 36.1 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -139 | 131.6 | 166.1 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 177 | T | 37 | Very low | 36.1 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -110 | 118.8 | 172.7 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 178 | G | 36.7 | Very low | 36.3 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -122.5 | 155.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 179 | P | 40.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -105.3 | 166 | -143.1 | 38.5 | -36.3 | 0 | 0 | 0 | 116.6 | ||||
| 180 | R | 34.5 | Very low | 36.6 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 142 | 159.2 | -78.9 | 174.9 | 162 | 166 | -7.8 | 110.4 | ||
| 181 | F | 36.3 | Very low | 36.8 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.5 | 163.9 | -71.3 | -88.5 | 0 | 0 | 0 | 111.4 | ||
| 182 | P | 37.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 141.9 | 151.2 | 34.9 | -26.9 | 0 | 0 | 0 | 110 | ||
| 183 | F | 37 | Very low | 36.4 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 144.9 | 168.4 | -121.1 | -90.2 | 0 | 0 | 0 | 110.8 | ||
| 184 | Q | 35.7 | Very low | 36.1 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -104.5 | 143.4 | -167.2 | -159.3 | 169.7 | -0.7 | 0 | 0 | 110.7 | ||||
| 185 | S | 30.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -109.1 | 125.8 | 178.5 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 186 | T | 31.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | -149.4 | 122.2 | 171.8 | 48.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 187 | L | 36.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | -173.9 | 150.9 | 124.5 | -100.5 | 164.7 | 0 | 0 | 0 | 112.2 | |||||
| 188 | D | 39.1 | Very low | 35.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 159 | 159.7 | -59.3 | -33.5 | 0 | 0 | 0 | 122.3 | ||||
| 189 | S | 38.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -126.7 | 165.9 | -149.5 | -99.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 190 | P | 40.1 | Very low | 35.3 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 167.4 | -155.9 | 36 | -37.7 | 0 | 0 | 0 | 114.1 | ||||
| 191 | N | 37.6 | Very low | 35.3 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -144.2 | 148.2 | 144.3 | -122.4 | -34.1 | 0 | 0 | 0 | 113.7 | ||||
| 192 | T | 32.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 154 | -168.1 | -37.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 193 | V | 37.6 | Very low | 34.9 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | 169.8 | 148.5 | 124.9 | 156.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 194 | A | 30.1 | Very low | 34.5 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -133.5 | 149.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 195 | S | 35.4 | Very low | 34.6 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -168.3 | 128.9 | 153.3 | -100.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 196 | E | 33.3 | Very low | 34.9 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | 67.3 | 137 | 89.5 | -64.6 | 170.7 | 146 | 0 | 0 | 113 | |||||
| 197 | N | 35 | Very low | 35.1 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -158.2 | 169.2 | 21.9 | -124 | -29.6 | 0 | 0 | 0 | 113.8 | ||||
| 198 | T | 36 | Very low | 35 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | 37 | 110.8 | 146.3 | -45.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 199 | A | 33.7 | Very low | 34.9 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | 101 | 130.8 | 44.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 200 | N | 32.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 58.8 | 119.9 | 153.8 | -57.4 | -15.4 | 0 | 0 | 0 | 122.7 | ||||
| 201 | T | 35.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 144.7 | 131.5 | 114.9 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 202 | P | 33.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -99.2 | 148.8 | 175.3 | 37.1 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 203 | I | 32 | Very low | 33.4 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | trans | -165.5 | 169.3 | 156.1 | -107.3 | 154.7 | 0 | 0 | 0 | 110.2 | ||||
| 204 | S | 30.1 | Very low | 33 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -111.5 | 176.3 | -159 | -44.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 205 | K | 36.9 | Very low | 33.1 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 82 | 153.6 | 170.9 | -53.9 | 169.3 | 156.8 | -95.5 | 0 | 114.7 | ||||
| 206 | E | 36.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 138 Ų | 138 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | -168.2 | 158.9 | -13.2 | -106.1 | 166.3 | 60.9 | 0 | 0 | 105.5 | ||||
| 207 | V | 35.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | cis | -161.9 | -157 | -0.4 | 60.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 208 | L | 34.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | 70.4 | 134.5 | -170.9 | -85 | 63.2 | 0 | 0 | 0 | 114.4 | ||||
| 209 | Q | 36.7 | Very low | 32.3 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | cis | -150.5 | 151.7 | -0.4 | -125.6 | 153.8 | 12 | 0 | 0 | 109.2 | ||||
| 210 | Q | 30.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -130 | 154.2 | -166.4 | -75.7 | -174.4 | -8 | 0 | 0 | 115.6 | ||||
| 211 | P | 29.4 | Very low | 32.7 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -105.5 | 163.6 | 134.1 | 35.2 | -29.3 | 0 | 0 | 0 | 112.1 | ||||
| 212 | P | 29.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -89.9 | 158.3 | -147.4 | 33.9 | -38.2 | 0 | 0 | 0 | 117.4 | ||||
| 213 | A | 28.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -93.8 | 112.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 214 | S | 29.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -158.8 | 133.1 | 153.3 | 61.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 215 | F | 32.4 | Very low | 36.7 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | cis | -108.9 | 143.9 | 11 | -80.9 | -129.7 | 0 | 0 | 0 | 112.4 | ||||
| 216 | Q | 29.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -87.3 | 167 | 158.2 | -73.4 | -178.9 | -19.7 | 0 | 0 | 110.6 | K218 | Q216-K218 PolarHBondContact O-N 2.87Š| ||
| 217 | D | 32.2 | Very low | 39.9 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 92% | 0.92 | 72% | 0.717 | S | S | * | * | trans | -39.5 | 115.7 | 177.8 | -84.3 | -66.7 | 0 | 0 | 0 | 114.5 | ||||
| 218 | K | 31.2 | Very low | 41.7 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | -134.8 | 130.7 | 161.1 | -69.1 | -169.3 | 176.7 | -176.4 | 0 | 108.7 | Q216 | Q216-K218 PolarHBondContact O-N 2.87Š| ||
| 219 | G | 28.9 | Very low | 43.8 | Very low | 62 Ų | 62 | 126.8 Ų | 126.8 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | trans | -67.1 | 141.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K221 | G219-K221 PolarHBondContact O-N 3.46Š| ||
| 220 | V | 36.7 | Very low | 45.8 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 88% | 0.879 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -74 | 68.6 | -179.9 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 221 | K | 38.8 | Very low | 48.1 | Very low | 210 Ų | 210 | 114 Ų | 114 | 91% | 0.913 | 61% | 0.607 | S | S | * | * | trans | -127.9 | 13.8 | 163.7 | -72.8 | -172.4 | 175.3 | 178.7 | 0 | 111.7 | G219 | G219-K221 PolarHBondContact O-N 3.46Š| ||
| 222 | E | 43.2 | Very low | 50.5 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | trans | -129.4 | 147.4 | -179.2 | -68.8 | -161.4 | 117.5 | 0 | 0 | 110.6 | ||||
| 223 | Q | 50.1 | Low | 52.7 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | cis | -124.3 | 132.4 | -43.2 | -61.5 | 99.6 | 6.8 | 0 | 0 | 107.3 | S225 | Q223-S225 PolarHBondContact O-N 2.81Š| ||
| 224 | W | 52.7 | Low | 55 | Low | 157 Ų | 157 | 108.3 Ų | 108.3 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | trans | -68.4 | 119.5 | 149.8 | -75.5 | 47.3 | 0 | 0 | 0 | 105.2 | L228 K229 V232 | W224-L228 HydrophobicContact CE3-CD2 4.21Å; W224-L228 HydrophobicContact CE3-CG 4.23Å; W224-K229 HydrophobicContact CB-CD 4.5Å; W224-K229 HydrophobicContact CB-CG 3.96Å; W224-K229 WeakPolarHBondContact O-CE 3.44Å; W224-K229 PolarHBondContact O-NZ 2.76Å; W224-V232 HydrophobicContact CZ3-CG2 4.41Å | ||
| 225 | S | 68.8 | Low | 57.2 | Low | 50 Ų | 50 | 103.4 Ų | 103.4 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | trans | -60 | 143.9 | 177 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | Q223 E227 L228 K229 | Q223-S225 PolarHBondContact O-N 2.81Å; S225-E227 PolarHBondContact O-N 3.08Å; S225-L228 PolarHBondContact O-N 2.91Å; S225-L228 VanDerWaalsContact OG-CB 3.3Å; S225-L228 WeakPolarHBondContact OG-CB 3.41Å; S225-L228 PolarHBondContact OG-N 3.01Å; S225-K229 PolarHBondContact O-N 2.99Å | ||
| 226 | D | 69.2 | Low | 59.2 | Low | 116 Ų | 116 | 97.3 Ų | 97.3 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -27.1 | -178.9 | -66.2 | -52.3 | 0 | 0 | 0 | 111.7 | K229 E230 | D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 WeakPolarHBondContact OD1-CD 3.48Å; D226-K229 IonicContact OD1-NZ 2.65Å; D226-K229 PolarHBondContact OD1-NZ 3.2Å; D226-E230 VanDerWaalsContact O-CB 3.29Å; D226-E230 WeakPolarHBondContact O-CB 3.48Å; D226-E230 PolarHBondContact O-N 3.47Å |
| 227 | E | 71.1 | Confident | 61.2 | Low | 68 Ų | 68 | 94.4 Ų | 94.4 | 32% | 0.318 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 171.3 | -45.3 | -169.5 | 166.7 | 0 | 0 | 112.8 | S225 E230 Y231 W268 K269 | S225-E227 PolarHBondContact O-N 3.08Å; E227-E230 PolarHBondContact O-N 3.12Å; E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.3Å; E227-W268 HydrophobicContact CB-CB 4.07Å; E227-K269 HydrophobicContact CB-CG 4.4Å; E227-K269 HydrophobicContact CG-CD 4.31Å; E227-K269 HydrophobicContact CG-CG 4.28Å; E227-K269 WeakPolarHBondContact OE1-CD 3.5Å; E227-K269 WeakPolarHBondContact OE1-CE 3.47Å; E227-K269 IonicContact OE1-NZ 2.66Å; E227-K269 PolarHBondContact OE1-NZ 2.89Å |
| 228 | L | 73.4 | Confident | 62.9 | Low | 8 Ų | 8 | 89.5 Ų | 89.5 | 4% | 0.042 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 174.8 | 171.9 | 59.9 | 0 | 0 | 0 | 111.3 | W224 S225 E230 Y231 V232 L256 F260 W268 | W224-L228 HydrophobicContact CE3-CD2 4.21Å; W224-L228 HydrophobicContact CE3-CG 4.23Å; S225-L228 PolarHBondContact O-N 2.91Å; S225-L228 VanDerWaalsContact OG-CB 3.3Å; S225-L228 WeakPolarHBondContact OG-CB 3.41Å; S225-L228 PolarHBondContact OG-N 3.01Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 3.05Å; L228-Y231 PolarHBondContact O-N 2.86Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 WeakPolarHBondContact O-CB 3.46Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.41Å; L228-L256 HydrophobicContact CD1-CD1 4.44Å; L228-L256 HydrophobicContact CD1-CD2 3.48Å; L228-L256 VanDerWaalsContact CD1-CD2 3.48Å; L228-L256 HydrophobicContact CD2-CD2 4.34Å; L228-F260 HydrophobicContact CD2-CZ 4.48Å; L228-W268 HydrophobicContact CD1-CD2 4.33Å; L228-W268 HydrophobicContact CD1-CE3 4.41Å; L228-W268 HydrophobicContact CD1-CZ2 4.44Å |
| 229 | K | 77.5 | Confident | 64.7 | Low | 79 Ų | 79 | 83 Ų | 83 | 34% | 0.343 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 172.1 | -64.1 | 176.3 | -163.2 | 138.1 | 0 | 110.4 | W224 S225 D226 V232 Q233 | W224-K229 HydrophobicContact CB-CD 4.5Å; W224-K229 HydrophobicContact CB-CG 3.96Å; W224-K229 WeakPolarHBondContact O-CE 3.44Å; W224-K229 PolarHBondContact O-NZ 2.76Å; S225-K229 PolarHBondContact O-N 2.99Å; D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 WeakPolarHBondContact OD1-CD 3.48Å; D226-K229 IonicContact OD1-NZ 2.65Å; D226-K229 PolarHBondContact OD1-NZ 3.2Å; K229-V232 PolarHBondContact O-N 3.07Å; K229-Q233 WeakPolarHBondContact O-CB 3.4Å; K229-Q233 VanDerWaalsContact O-CG 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.38Å; K229-Q233 PolarHBondContact O-N 2.88Å |
| 230 | E | 78.3 | Confident | 66.4 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 179.2 | -153.7 | -153.1 | 141.8 | 0 | 0 | 111.1 | D226 E227 L228 V232 Q233 R234 | D226-E230 VanDerWaalsContact O-CB 3.29Å; D226-E230 WeakPolarHBondContact O-CB 3.48Å; D226-E230 PolarHBondContact O-N 3.47Å; E227-E230 PolarHBondContact O-N 3.12Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 3.05Å; E230-V232 PolarHBondContact O-N 3.02Å; E230-Q233 CarbonylContact O-C 3.6Å; E230-Q233 PolarHBondContact O-N 3.48Å; E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.49Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 IonicContact OE1-CZ 2.78Å; E230-R234 IonicContact OE1-NE 2.99Å; E230-R234 PolarHBondContact OE1-NE 2.97Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 3.31Å; E230-R234 IonicContact OE2-CZ 2.63Å; E230-R234 IonicContact OE2-NH2 3.89Å; E230-R234 PolarHBondContact OE2-NH2 3.31Å |
| 231 | Y | 79.1 | Confident | 68.3 | Low | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.008 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 175.1 | -179 | -98.6 | 0 | 0 | 0 | 112.3 | E227 L228 Q233 R234 A235 L252 K255 W268 E271 N272 | E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.3Å; L228-Y231 PolarHBondContact O-N 2.86Å; Y231-Q233 PolarHBondContact O-N 3.03Å; Y231-R234 PolarHBondContact O-N 2.83Å; Y231-A235 WeakPolarHBondContact O-CB 3.49Å; Y231-A235 PolarHBondContact O-N 2.96Å; Y231-L252 HydrophobicContact CD1-CD2 4.3Å; Y231-L252 HydrophobicContact CE1-CD2 3.82Å; Y231-K255 PolarHBondContact OH-NZ 3.09Å; Y231-W268 HydrophobicContact CD1-CE3 4.05Å; Y231-W268 HydrophobicContact CD1-CZ3 4.31Å; Y231-W268 HydrophobicContact CE1-CE3 4.28Å; Y231-W268 HydrophobicContact CE1-CZ3 4.21Å; Y231-W268 HydrophobicContact CG-CE3 4.19Å; Y231-E271 HydrophobicContact CE2-CB 3.91Å; Y231-E271 HydrophobicContact CE2-CG 4.48Å; Y231-E271 WeakPolarHBondContact CE2-OE2 3.37Å; Y231-E271 VanDerWaalsContact OH-CD 3.23Å; Y231-E271 PolarHBondContact OH-OE1 3.25Å; Y231-E271 PolarHBondContact OH-OE2 3.17Å; Y231-N272 PolarHBondContact OH-O 3.2Å |
| 232 | V | 79.4 | Confident | 70 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | W224 L228 K229 E230 A235 F236 L252 | W224-V232 HydrophobicContact CZ3-CG2 4.41Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 WeakPolarHBondContact O-CB 3.46Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.41Å; K229-V232 PolarHBondContact O-N 3.07Å; E230-V232 PolarHBondContact O-N 3.02Å; V232-A235 PolarHBondContact O-N 3.41Å; V232-F236 HydrophobicContact CG1-CD2 3.77Å; V232-F236 HydrophobicContact CG1-CE2 3.75Å; V232-F236 VanDerWaalsContact O-CD2 3.3Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 PolarHBondContact O-N 3.27Å; V232-L252 HydrophobicContact CG1-CD1 4.35Å |
| 233 | Q | 76.3 | Confident | 71.4 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -46.5 | 174.2 | -77 | 176.8 | 7.9 | 0 | 0 | 112.1 | K229 E230 Y231 A235 F236 C237 | K229-Q233 WeakPolarHBondContact O-CB 3.4Å; K229-Q233 VanDerWaalsContact O-CG 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.38Å; K229-Q233 PolarHBondContact O-N 2.88Å; E230-Q233 CarbonylContact O-C 3.6Å; E230-Q233 PolarHBondContact O-N 3.48Å; Y231-Q233 PolarHBondContact O-N 3.03Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; Q233-A235 PolarHBondContact O-N 3.04Å; Q233-F236 PolarHBondContact O-N 3.48Å; Q233-C237 VanDerWaalsContact O-CB 3.26Å; Q233-C237 WeakPolarHBondContact O-CB 3.43Å; Q233-C237 PolarHBondContact O-N 3Å; Q233-C237 PolarHBondContact O-SG 2.86Å |
| 234 | R | 76.9 | Confident | 72.6 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 28% | 0.275 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 174.6 | -70.1 | 179.5 | -153.5 | 160.4 | 1.9 | 110.8 | E230 Y231 C237 S238 K269 I273 | E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.49Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 IonicContact OE1-CZ 2.78Å; E230-R234 IonicContact OE1-NE 2.99Å; E230-R234 PolarHBondContact OE1-NE 2.97Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 3.31Å; E230-R234 IonicContact OE2-CZ 2.63Å; E230-R234 IonicContact OE2-NH2 3.89Å; E230-R234 PolarHBondContact OE2-NH2 3.31Å; Y231-R234 PolarHBondContact O-N 2.83Å; R234-C237 PolarHBondContact O-N 3.26Å; R234-S238 PolarHBondContact O-N 3.15Å; R234-S238 VanDerWaalsContact O-N 3.13Å; R234-K269 PolarHBondContact NH1-O 3.26Å; R234-K269 VanDerWaalsContact NH1-O 3.07Å; R234-I273 HydrophobicContact CB-CD1 3.91Å; R234-I273 HydrophobicContact CB-CG1 4.47Å |
| 235 | A | 74.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y231 V232 Q233 S238 M248 L252 I273 | Y231-A235 WeakPolarHBondContact O-CB 3.49Å; Y231-A235 PolarHBondContact O-N 2.96Å; V232-A235 PolarHBondContact O-N 3.41Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; Q233-A235 PolarHBondContact O-N 3.04Å; A235-S238 PolarHBondContact O-N 3.47Å; A235-S238 PolarHBondContact O-OG 3.21Å; A235-M248 HydrophobicContact CB-CE 4.24Å; A235-M248 HydrophobicContact CB-CG 4.29Å; A235-M248 HydrophobicContact CB-SD 3.91Å; A235-L252 HydrophobicContact CB-CD1 4.04Å; A235-L252 HydrophobicContact CB-CD2 4.17Å; A235-I273 HydrophobicContact CB-CG2 4.16Å |
| 236 | F | 75.5 | Confident | 74.2 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.7 | -27.8 | 175.1 | -76.6 | -59.2 | 0 | 0 | 0 | 114 | V232 Q233 S238 K245 M248 E249 L252 | V232-F236 HydrophobicContact CG1-CD2 3.77Å; V232-F236 HydrophobicContact CG1-CE2 3.75Å; V232-F236 VanDerWaalsContact O-CD2 3.3Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 PolarHBondContact O-N 3.27Å; Q233-F236 PolarHBondContact O-N 3.48Å; F236-S238 PolarHBondContact O-N 3.2Å; F236-K245 HydrophobicContact CD1-CG 3.87Å; F236-K245 HydrophobicContact CE1-CG 3.73Å; F236-M248 HydrophobicContact CD1-CG 4.27Å; F236-M248 HydrophobicContact CE1-CB 4.28Å; F236-M248 HydrophobicContact CE1-CG 4.19Å; F236-E249 HydrophobicContact CE1-CB 4.38Å; F236-E249 HydrophobicContact CZ-CB 4.14Å; F236-E249 HydrophobicContact CZ-CG 4.42Å; F236-L252 HydrophobicContact CD2-CD1 4.35Å; F236-L252 HydrophobicContact CE2-CD1 3.86Å; F236-L252 HydrophobicContact CZ-CD1 4.03Å |
| 237 | C | 71.3 | Confident | 74.4 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 75% | 0.75 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -75.9 | -9.1 | 174.3 | -66.9 | 0 | 0 | 0 | 0 | 113.5 | Q233 R234 I239 | Q233-C237 VanDerWaalsContact O-CB 3.26Å; Q233-C237 WeakPolarHBondContact O-CB 3.43Å; Q233-C237 PolarHBondContact O-N 3Å; Q233-C237 PolarHBondContact O-SG 2.86Å; R234-C237 PolarHBondContact O-N 3.26Å; C237-I239 VanDerWaalsContact C-N 3.27Å |
| 238 | S | 68.2 | Low | 74.7 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 49% | 0.49 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7.1 | 174.8 | 71.7 | 0 | 0 | 0 | 0 | 114 | R234 A235 F236 | R234-S238 PolarHBondContact O-N 3.15Å; R234-S238 VanDerWaalsContact O-N 3.13Å; A235-S238 PolarHBondContact O-N 3.47Å; A235-S238 PolarHBondContact O-OG 3.21Å; F236-S238 PolarHBondContact O-N 3.2Å |
| 239 | I | 68 | Low | 75.1 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | trans | -135.4 | 126.6 | -167.2 | -68.2 | 170.7 | 0 | 0 | 0 | 111.8 | C237 T241 E244 K245 M248 I276 | C237-I239 VanDerWaalsContact C-N 3.27Å; I239-T241 WeakPolarHBondContact CG2-O 3.31Å; I239-E244 HydrophobicContact CD1-CB 4.38Å; I239-E244 HydrophobicContact CG1-CB 4.37Å; I239-E244 HydrophobicContact CG2-CB 3.48Å; I239-E244 VanDerWaalsContact CG2-CB 3.48Å; I239-K245 HydrophobicContact CG2-CB 4.43Å; I239-M248 HydrophobicContact CD1-CB 3.37Å; I239-M248 HydrophobicContact CD1-CE 3.77Å; I239-M248 HydrophobicContact CD1-CG 3.71Å; I239-I276 HydrophobicContact CD1-CD1 3.89Å | ||
| 240 | D | 65.4 | Low | 75.3 | Confident | 170 Ų | 170 | 72.4 Ų | 72.4 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | trans | -98.1 | -18.8 | 177.7 | -69 | -47.4 | 0 | 0 | 0 | 113.9 | ||||
| 241 | T | 75.6 | Confident | 75.4 | Confident | 66 Ų | 66 | 71 Ų | 71 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -112 | 150.4 | -173.2 | 82.6 | 0 | 0 | 0 | 0 | 114.7 | I239 E243 E244 K245 | I239-T241 WeakPolarHBondContact CG2-O 3.31Å; T241-E243 PolarHBondContact O-N 3.28Å; T241-E244 VanDerWaalsContact CB-OE2 3.31Å; T241-E244 WeakPolarHBondContact CB-OE2 3.4Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.2Å; T241-E244 PolarHBondContact N-OE2 2.93Å; T241-E244 PolarHBondContact O-N 2.62Å; T241-E244 WeakPolarHBondContact OG1-CB 3.37Å; T241-E244 VanDerWaalsContact OG1-CG 3.26Å; T241-E244 WeakPolarHBondContact OG1-CG 3.39Å; T241-E244 PolarHBondContact OG1-N 3.04Å; T241-E244 PolarHBondContact OG1-OE2 3.19Å; T241-K245 PolarHBondContact O-N 3.01Å |
| 242 | S | 75.8 | Confident | 75.6 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.4 | -32.4 | -179.2 | -161.2 | 0 | 0 | 0 | 0 | 113.4 | K245 D246 | S242-K245 WeakPolarHBondContact O-CB 3.42Å; S242-K245 PolarHBondContact O-N 3.26Å; S242-D246 PolarHBondContact O-N 2.81Å |
| 243 | E | 71.7 | Confident | 75.7 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.1 | -35 | -179.3 | -63.9 | -177.8 | 112.1 | 0 | 0 | 112 | T241 Q247 R285 | T241-E243 PolarHBondContact O-N 3.28Å; E243-Q247 WeakPolarHBondContact O-CG 3.27Å; E243-Q247 PolarHBondContact O-N 3.49Å; E243-R285 IonicContact OE1-CZ 3.96Å; E243-R285 VanDerWaalsContact OE1-CZ 3.26Å; E243-R285 IonicContact OE1-NH1 3.79Å; E243-R285 PolarHBondContact OE1-NH1 3.36Å; E243-R285 IonicContact OE1-NH2 3.65Å; E243-R285 PolarHBondContact OE1-NH2 3.04Å; E243-R285 IonicContact OE2-CZ 3.7Å; E243-R285 IonicContact OE2-NH1 3.47Å; E243-R285 PolarHBondContact OE2-NH1 2.78Å; E243-R285 IonicContact OE2-NH2 3.64Å |
| 244 | E | 74.8 | Confident | 75.9 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 172.1 | -69.5 | 162.8 | 149.2 | 0 | 0 | 111.1 | I239 T241 D246 Q247 M248 I276 S278 | I239-E244 HydrophobicContact CD1-CB 4.38Å; I239-E244 HydrophobicContact CG1-CB 4.37Å; I239-E244 HydrophobicContact CG2-CB 3.48Å; I239-E244 VanDerWaalsContact CG2-CB 3.48Å; T241-E244 VanDerWaalsContact CB-OE2 3.31Å; T241-E244 WeakPolarHBondContact CB-OE2 3.4Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.2Å; T241-E244 PolarHBondContact N-OE2 2.93Å; T241-E244 PolarHBondContact O-N 2.62Å; T241-E244 WeakPolarHBondContact OG1-CB 3.37Å; T241-E244 VanDerWaalsContact OG1-CG 3.26Å; T241-E244 WeakPolarHBondContact OG1-CG 3.39Å; T241-E244 PolarHBondContact OG1-N 3.04Å; T241-E244 PolarHBondContact OG1-OE2 3.19Å; E244-D246 PolarHBondContact O-N 3.33Å; E244-Q247 WeakPolarHBondContact O-CB 3.38Å; E244-Q247 PolarHBondContact O-N 3.24Å; E244-M248 WeakPolarHBondContact O-CB 3.38Å; E244-M248 PolarHBondContact O-N 3.42Å; E244-I276 HydrophobicContact CB-CD1 4.45Å; E244-I276 WeakPolarHBondContact O-CD1 3.49Å; E244-S278 WeakPolarHBondContact OE1-CB 3.42Å; E244-S278 PolarHBondContact OE1-OG 3.04Å |
| 245 | K | 76.6 | Confident | 75.7 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.1 | -170.3 | -166 | 172.4 | -165.2 | 0 | 111.5 | F236 I239 T241 S242 Q247 M248 E249 | F236-K245 HydrophobicContact CD1-CG 3.87Å; F236-K245 HydrophobicContact CE1-CG 3.73Å; I239-K245 HydrophobicContact CG2-CB 4.43Å; T241-K245 PolarHBondContact O-N 3.01Å; S242-K245 WeakPolarHBondContact O-CB 3.42Å; S242-K245 PolarHBondContact O-N 3.26Å; K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 PolarHBondContact O-N 3.44Å; K245-M248 PolarHBondContact O-N 2.65Å; K245-E249 PolarHBondContact O-N 3.01Å |
| 246 | D | 78.7 | Confident | 76 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -29.6 | 178.6 | -64.7 | -6.5 | 0 | 0 | 0 | 112.1 | S242 E244 R250 | S242-D246 PolarHBondContact O-N 2.81Å; E244-D246 PolarHBondContact O-N 3.33Å; D246-R250 PolarHBondContact O-N 2.96Å |
| 247 | Q | 73.3 | Confident | 76.1 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -73.5 | -43 | 172.3 | -70.6 | 175 | 24.4 | 0 | 0 | 111.8 | E243 E244 K245 R250 I251 I276 | E243-Q247 WeakPolarHBondContact O-CG 3.27Å; E243-Q247 PolarHBondContact O-N 3.49Å; E244-Q247 WeakPolarHBondContact O-CB 3.38Å; E244-Q247 PolarHBondContact O-N 3.24Å; K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 PolarHBondContact O-N 3.44Å; Q247-R250 WeakPolarHBondContact O-CB 3.4Å; Q247-R250 PolarHBondContact O-N 2.9Å; Q247-I251 WeakPolarHBondContact O-CG1 3.03Å; Q247-I251 PolarHBondContact O-N 2.76Å; Q247-I276 HydrophobicContact CB-CD1 3.99Å |
| 248 | M | 78.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.4 | -175.1 | 56.1 | 80.3 | 0 | 0 | 111.8 | A235 F236 I239 E244 K245 R250 I251 L252 I273 P274 I276 | A235-M248 HydrophobicContact CB-CE 4.24Å; A235-M248 HydrophobicContact CB-CG 4.29Å; A235-M248 HydrophobicContact CB-SD 3.91Å; F236-M248 HydrophobicContact CD1-CG 4.27Å; F236-M248 HydrophobicContact CE1-CB 4.28Å; F236-M248 HydrophobicContact CE1-CG 4.19Å; I239-M248 HydrophobicContact CD1-CB 3.37Å; I239-M248 HydrophobicContact CD1-CE 3.77Å; I239-M248 HydrophobicContact CD1-CG 3.71Å; E244-M248 WeakPolarHBondContact O-CB 3.38Å; E244-M248 PolarHBondContact O-N 3.42Å; K245-M248 PolarHBondContact O-N 2.65Å; M248-R250 PolarHBondContact O-N 3.04Å; M248-I251 PolarHBondContact O-N 3.08Å; M248-L252 HydrophobicContact CG-CD1 3.78Å; M248-L252 HydrophobicContact CG-CG 4.13Å; M248-L252 VanDerWaalsContact O-CB 3.32Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 VanDerWaalsContact O-CG 3.27Å; M248-L252 WeakPolarHBondContact O-CG 3.43Å; M248-L252 PolarHBondContact O-N 3.38Å; M248-L252 HydrophobicContact SD-CD1 4.07Å; M248-L252 HydrophobicContact SD-CD2 4.33Å; M248-L252 HydrophobicContact SD-CG 3.85Å; M248-I273 HydrophobicContact CE-CG2 4.18Å; M248-P274 HydrophobicContact CE-CG 4.05Å; M248-P274 WeakPolarHBondContact CE-O 3.45Å; M248-P274 HydrophobicContact SD-CG 3.86Å; M248-I276 HydrophobicContact CB-CD1 3.88Å; M248-I276 HydrophobicContact CE-CD1 4.08Å; M248-I276 HydrophobicContact CE-CG1 4.29Å |
| 249 | E | 82.6 | Confident | 76.7 | Confident | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 175.7 | -167.6 | -175.7 | 125.1 | 0 | 0 | 111.6 | F236 K245 K253 | F236-E249 HydrophobicContact CE1-CB 4.38Å; F236-E249 HydrophobicContact CZ-CB 4.14Å; F236-E249 HydrophobicContact CZ-CG 4.42Å; K245-E249 PolarHBondContact O-N 3.01Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.35Å; E249-K253 VanDerWaalsContact O-CG 3.25Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 2.67Å; E249-K253 WeakPolarHBondContact OE1-CE 3.17Å; E249-K253 IonicContact OE1-NZ 3.7Å; E249-K253 PolarHBondContact OE1-NZ 2.7Å |
| 250 | R | 80.9 | Confident | 77.1 | Confident | 153 Ų | 153 | 80.7 Ų | 80.7 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.2 | -49 | 175.4 | -167.9 | -178.4 | -52.8 | 158.5 | 10.1 | 112.2 | D246 Q247 M248 L252 K253 E254 | D246-R250 PolarHBondContact O-N 2.96Å; Q247-R250 WeakPolarHBondContact O-CB 3.4Å; Q247-R250 PolarHBondContact O-N 2.9Å; M248-R250 PolarHBondContact O-N 3.04Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.87Å; R250-K253 PolarHBondContact O-N 3.36Å; R250-E254 WeakPolarHBondContact CG-OE1 3.07Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.93Å |
| 251 | I | 80.7 | Confident | 77.4 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.9 | -65.5 | 162.7 | 0 | 0 | 0 | 110.9 | Q247 M248 E254 K255 P274 I276 | Q247-I251 WeakPolarHBondContact O-CG1 3.03Å; Q247-I251 PolarHBondContact O-N 2.76Å; M248-I251 PolarHBondContact O-N 3.08Å; I251-E254 PolarHBondContact O-N 3.12Å; I251-K255 WeakPolarHBondContact O-CB 3.33Å; I251-K255 PolarHBondContact O-N 3.5Å; I251-P274 HydrophobicContact CG2-CB 3.87Å; I251-P274 HydrophobicContact CG2-CG 3.79Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I251-I276 HydrophobicContact CD1-CG1 4Å |
| 252 | L | 82.5 | Confident | 77 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 174.9 | -71.3 | 173.6 | 0 | 0 | 0 | 112 | Y231 V232 A235 F236 M248 R250 L256 | Y231-L252 HydrophobicContact CD1-CD2 4.3Å; Y231-L252 HydrophobicContact CE1-CD2 3.82Å; V232-L252 HydrophobicContact CG1-CD1 4.35Å; A235-L252 HydrophobicContact CB-CD1 4.04Å; A235-L252 HydrophobicContact CB-CD2 4.17Å; F236-L252 HydrophobicContact CD2-CD1 4.35Å; F236-L252 HydrophobicContact CE2-CD1 3.86Å; F236-L252 HydrophobicContact CZ-CD1 4.03Å; M248-L252 HydrophobicContact CG-CD1 3.78Å; M248-L252 HydrophobicContact CG-CG 4.13Å; M248-L252 VanDerWaalsContact O-CB 3.32Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 VanDerWaalsContact O-CG 3.27Å; M248-L252 WeakPolarHBondContact O-CG 3.43Å; M248-L252 PolarHBondContact O-N 3.38Å; M248-L252 HydrophobicContact SD-CD1 4.07Å; M248-L252 HydrophobicContact SD-CD2 4.33Å; M248-L252 HydrophobicContact SD-CG 3.85Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.87Å; L252-L256 VanDerWaalsContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 3.48Å |
| 253 | K | 81.3 | Confident | 76.5 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 48% | 0.478 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 173.5 | -79.3 | 168.9 | 175 | 172.3 | 0 | 111.7 | E249 R250 K255 L256 E257 | E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.35Å; E249-K253 VanDerWaalsContact O-CG 3.25Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 2.67Å; E249-K253 WeakPolarHBondContact OE1-CE 3.17Å; E249-K253 IonicContact OE1-NZ 3.7Å; E249-K253 PolarHBondContact OE1-NZ 2.7Å; R250-K253 PolarHBondContact O-N 3.36Å; K253-K255 PolarHBondContact O-N 2.83Å; K253-L256 PolarHBondContact O-N 3.44Å; K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å |
| 254 | E | 80.3 | Confident | 76.5 | Confident | 122 Ų | 122 | 83.3 Ų | 83.3 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 177.8 | -72.3 | 170.5 | -164 | 0 | 0 | 111.7 | R250 I251 Y258 | R250-E254 WeakPolarHBondContact CG-OE1 3.07Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.93Å; I251-E254 PolarHBondContact O-N 3.12Å; E254-Y258 VanDerWaalsContact O-CB 3.24Å; E254-Y258 WeakPolarHBondContact O-CB 3.21Å; E254-Y258 PolarHBondContact O-N 3.43Å |
| 255 | K | 74.2 | Confident | 76.3 | Confident | 55 Ų | 55 | 91.4 Ų | 91.4 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 173.4 | -83.8 | -162.5 | 173.3 | -165 | 0 | 112.9 | Y231 I251 K253 Y258 V259 E271 | Y231-K255 PolarHBondContact OH-NZ 3.09Å; I251-K255 WeakPolarHBondContact O-CB 3.33Å; I251-K255 PolarHBondContact O-N 3.5Å; K253-K255 PolarHBondContact O-N 2.83Å; K255-Y258 PolarHBondContact O-N 2.86Å; K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3Å; K255-E271 IonicContact NZ-OE1 2.81Å; K255-E271 PolarHBondContact NZ-OE1 3.47Å; K255-E271 IonicContact NZ-OE2 3.35Å |
| 256 | L | 79.6 | Confident | 75.7 | Confident | 24 Ų | 24 | 88.3 Ų | 88.3 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.2 | -43.7 | -175.7 | -70.1 | 169.2 | 0 | 0 | 0 | 111.7 | L228 L252 K253 Y258 V259 F260 W268 | L228-L256 HydrophobicContact CD1-CD1 4.44Å; L228-L256 HydrophobicContact CD1-CD2 3.48Å; L228-L256 VanDerWaalsContact CD1-CD2 3.48Å; L228-L256 HydrophobicContact CD2-CD2 4.34Å; L252-L256 VanDerWaalsContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 3.48Å; K253-L256 PolarHBondContact O-N 3.44Å; L256-Y258 PolarHBondContact O-N 3.1Å; L256-V259 PolarHBondContact O-N 3.19Å; L256-F260 HydrophobicContact CB-CD2 4.3Å; L256-F260 HydrophobicContact CB-CE2 4.29Å; L256-F260 HydrophobicContact CD2-CE2 4.37Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.48Å; L256-F260 PolarHBondContact O-N 3.47Å; L256-W268 HydrophobicContact CD2-CH2 3.66Å; L256-W268 HydrophobicContact CD2-CZ2 4.15Å; L256-W268 HydrophobicContact CD2-CZ3 4.28Å |
| 257 | E | 77.9 | Confident | 75.3 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.7 | -40.9 | 170.7 | -77.4 | -171.6 | -148.7 | 0 | 0 | 111.5 | K253 R261 | K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å; E257-R261 WeakPolarHBondContact O-CB 3.08Å; E257-R261 PolarHBondContact O-N 3.21Å |
| 258 | Y | 74.7 | Confident | 75 | Confident | 99 Ų | 99 | 87.9 Ų | 87.9 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 176.9 | -176 | -85.3 | 0 | 0 | 0 | 112.5 | Y30 E254 K255 L256 N262 I264 | Y30-Y258 HydrophobicContact CE2-CE1 4.03Å; Y30-Y258 AromaticContact CE2-CZ 3.77Å; Y30-Y258 WeakPolarHBondContact CE2-OH 3.12Å; Y30-Y258 AromaticContact CZ-CE1 3.98Å; Y30-Y258 WeakPolarHBondContact OH-CE1 3.45Å; Y30-Y258 PolarHBondContact OH-OH 2.94Å; E254-Y258 VanDerWaalsContact O-CB 3.24Å; E254-Y258 WeakPolarHBondContact O-CB 3.21Å; E254-Y258 PolarHBondContact O-N 3.43Å; K255-Y258 PolarHBondContact O-N 2.86Å; L256-Y258 PolarHBondContact O-N 3.1Å; Y258-N262 WeakPolarHBondContact CD2-ND2 3.37Å; Y258-N262 WeakPolarHBondContact CE2-ND2 3.46Å; Y258-N262 VanDerWaalsContact CZ-ND2 3.25Å; Y258-N262 WeakPolarHBondContact O-CB 3.02Å; Y258-N262 PolarHBondContact O-N 3.36Å; Y258-N262 VanDerWaalsContact O-N 3.12Å; Y258-N262 PolarHBondContact O-ND2 3.19Å; Y258-I264 HydrophobicContact CD1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CD1 3.51Å |
| 259 | V | 78.5 | Confident | 74.2 | Confident | 22 Ų | 22 | 93.6 Ų | 93.6 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | K255 L256 N263 I264 V266 W268 | K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3Å; L256-V259 PolarHBondContact O-N 3.19Å; V259-N263 PolarHBondContact O-N 2.72Å; V259-I264 HydrophobicContact CG1-CB 4.44Å; V259-I264 WeakPolarHBondContact CG1-O 3Å; V259-I264 PolarHBondContact O-N 2.86Å; V259-V266 HydrophobicContact CG1-CG2 3.95Å; V259-V266 HydrophobicContact CG2-CG2 3.88Å; V259-W268 HydrophobicContact CB-CH2 4.16Å; V259-W268 HydrophobicContact CB-CZ2 4.34Å; V259-W268 HydrophobicContact CG1-CH2 4.07Å; V259-W268 HydrophobicContact CG1-CZ2 3.77Å; V259-W268 HydrophobicContact CG2-CH2 3.99Å |
| 260 | F | 75.6 | Confident | 73.2 | Confident | 147 Ų | 147 | 95.1 Ų | 95.1 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 175.5 | -75 | -60.1 | 0 | 0 | 0 | 112.5 | L228 L256 N262 N263 | L228-F260 HydrophobicContact CD2-CZ 4.48Å; L256-F260 HydrophobicContact CB-CD2 4.3Å; L256-F260 HydrophobicContact CB-CE2 4.29Å; L256-F260 HydrophobicContact CD2-CE2 4.37Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.48Å; L256-F260 PolarHBondContact O-N 3.47Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 3.44Å; F260-N263 PolarHBondContact O-N 2.94Å |
| 261 | R | 71.6 | Confident | 72.3 | Confident | 190 Ų | 190 | 90.6 Ų | 90.6 | 72% | 0.717 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.6 | -31.3 | -179.7 | -177.5 | 174.8 | -76.2 | 135.8 | 1 | 113 | E257 | E257-R261 WeakPolarHBondContact O-CB 3.08Å; E257-R261 PolarHBondContact O-N 3.21Å |
| 262 | N | 67 | Low | 71.5 | Confident | 80 Ų | 80 | 94.7 Ų | 94.7 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -101.1 | 1.5 | -179.2 | -61.7 | -66.5 | 0 | 0 | 0 | 113.9 | Y258 F260 I264 | Y258-N262 WeakPolarHBondContact CD2-ND2 3.37Å; Y258-N262 WeakPolarHBondContact CE2-ND2 3.46Å; Y258-N262 VanDerWaalsContact CZ-ND2 3.25Å; Y258-N262 WeakPolarHBondContact O-CB 3.02Å; Y258-N262 PolarHBondContact O-N 3.36Å; Y258-N262 VanDerWaalsContact O-N 3.12Å; Y258-N262 PolarHBondContact O-ND2 3.19Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 3.44Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 HydrophobicContact CB-CD1 3.75Å; N262-I264 HydrophobicContact CB-CG1 3.74Å; N262-I264 PolarHBondContact O-N 3.47Å |
| 263 | N | 66 | Low | 70.6 | Confident | 146 Ų | 146 | 97.2 Ų | 97.2 | 78% | 0.781 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.5 | -179.6 | -162.1 | 17.3 | 0 | 0 | 0 | 114 | V259 F260 | V259-N263 PolarHBondContact O-N 2.72Å; F260-N263 PolarHBondContact O-N 2.94Å |
| 264 | I | 71.6 | Confident | 69.7 | Low | 64 Ų | 64 | 93.1 Ų | 93.1 | 33% | 0.328 | 45% | 0.447 | S | S | . | . | trans | -82.2 | 128.1 | -174.8 | -59.1 | 171.2 | 0 | 0 | 0 | 109.5 | Y258 V259 N262 V266 | Y258-I264 HydrophobicContact CD1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CD1 3.51Å; V259-I264 HydrophobicContact CG1-CB 4.44Å; V259-I264 WeakPolarHBondContact CG1-O 3Å; V259-I264 PolarHBondContact O-N 2.86Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 HydrophobicContact CB-CD1 3.75Å; N262-I264 HydrophobicContact CB-CG1 3.74Å; N262-I264 PolarHBondContact O-N 3.47Å; I264-V266 HydrophobicContact CB-CG2 4.27Å; I264-V266 HydrophobicContact CG2-CG2 3.73Å; I264-V266 PolarHBondContact O-N 3.1Å | ||
| 265 | K | 70.3 | Confident | 68.5 | Low | 206 Ų | 206 | 93.6 Ų | 93.6 | 90% | 0.896 | 46% | 0.458 | S | S | * | . | trans | -74.6 | 103.5 | 169.2 | -64.9 | -175.9 | 179.6 | -177.4 | 0 | 109 | ||||
| 266 | V | 64.7 | Low | 67.7 | Low | 35 Ų | 35 | 92 Ų | 92 | 21% | 0.212 | 45% | 0.452 | C | S | . | . | trans | -109 | 126.5 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | V259 I264 W268 E271 | V259-V266 HydrophobicContact CG1-CG2 3.95Å; V259-V266 HydrophobicContact CG2-CG2 3.88Å; I264-V266 HydrophobicContact CB-CG2 4.27Å; I264-V266 HydrophobicContact CG2-CG2 3.73Å; I264-V266 PolarHBondContact O-N 3.1Å; V266-W268 VanDerWaalsContact C-N 3.35Å; V266-W268 HydrophobicContact CB-CD2 4.43Å; V266-W268 HydrophobicContact CB-CZ2 4.27Å; V266-W268 HydrophobicContact CG1-CD2 4.27Å; V266-W268 HydrophobicContact CG1-CE3 4.14Å; V266-W268 HydrophobicContact CG1-CZ3 4.29Å; V266-W268 VanDerWaalsContact O-CD1 3.27Å; V266-W268 PolarHBondContact O-N 3.47Å; V266-W268 PolarHBondContact O-NE1 2.92Å; V266-E271 HydrophobicContact CG1-CB 4.41Å; V266-E271 HydrophobicContact CG1-CG 4.37Å | ||
| 267 | D | 68.9 | Low | 66.6 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 63% | 0.631 | 48% | 0.475 | S | S | * | . | trans | -77.6 | 83.2 | 174.5 | -66.5 | -26.3 | 0 | 0 | 0 | 110.1 | K269 T270 E271 | D267-K269 PolarHBondContact O-N 2.99Å; D267-T270 PolarHBondContact O-N 3.25Å; D267-E271 PolarHBondContact O-N 2.91Å | ||
| 268 | W | 67.8 | Low | 65.6 | Low | 28 Ų | 28 | 91.9 Ų | 91.9 | 11% | 0.106 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.6 | -175.9 | -58.7 | 106.6 | 0 | 0 | 0 | 114.7 | E227 L228 Y231 L256 V259 V266 T270 | E227-W268 HydrophobicContact CB-CB 4.07Å; L228-W268 HydrophobicContact CD1-CD2 4.33Å; L228-W268 HydrophobicContact CD1-CE3 4.41Å; L228-W268 HydrophobicContact CD1-CZ2 4.44Å; Y231-W268 HydrophobicContact CD1-CE3 4.05Å; Y231-W268 HydrophobicContact CD1-CZ3 4.31Å; Y231-W268 HydrophobicContact CE1-CE3 4.28Å; Y231-W268 HydrophobicContact CE1-CZ3 4.21Å; Y231-W268 HydrophobicContact CG-CE3 4.19Å; L256-W268 HydrophobicContact CD2-CH2 3.66Å; L256-W268 HydrophobicContact CD2-CZ2 4.15Å; L256-W268 HydrophobicContact CD2-CZ3 4.28Å; V259-W268 HydrophobicContact CB-CH2 4.16Å; V259-W268 HydrophobicContact CB-CZ2 4.34Å; V259-W268 HydrophobicContact CG1-CH2 4.07Å; V259-W268 HydrophobicContact CG1-CZ2 3.77Å; V259-W268 HydrophobicContact CG2-CH2 3.99Å; V266-W268 VanDerWaalsContact C-N 3.35Å; V266-W268 HydrophobicContact CB-CD2 4.43Å; V266-W268 HydrophobicContact CB-CZ2 4.27Å; V266-W268 HydrophobicContact CG1-CD2 4.27Å; V266-W268 HydrophobicContact CG1-CE3 4.14Å; V266-W268 HydrophobicContact CG1-CZ3 4.29Å; V266-W268 VanDerWaalsContact O-CD1 3.27Å; V266-W268 PolarHBondContact O-N 3.47Å; V266-W268 PolarHBondContact O-NE1 2.92Å; W268-T270 VanDerWaalsContact C-N 3.3Å; W268-T270 PolarHBondContact O-N 2.89Å |
| 269 | K | 61.4 | Low | 64.2 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 52% | 0.522 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35 | 171.8 | -81.4 | 167.9 | 168.4 | 156.8 | 0 | 112.9 | E227 R234 D267 | E227-K269 HydrophobicContact CB-CG 4.4Å; E227-K269 HydrophobicContact CG-CD 4.31Å; E227-K269 HydrophobicContact CG-CG 4.28Å; E227-K269 WeakPolarHBondContact OE1-CD 3.5Å; E227-K269 WeakPolarHBondContact OE1-CE 3.47Å; E227-K269 IonicContact OE1-NZ 2.66Å; E227-K269 PolarHBondContact OE1-NZ 2.89Å; R234-K269 PolarHBondContact NH1-O 3.26Å; R234-K269 VanDerWaalsContact NH1-O 3.07Å; D267-K269 PolarHBondContact O-N 2.99Å |
| 270 | T | 60.7 | Low | 62.7 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 67% | 0.669 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -15.4 | -167.7 | -35.4 | 0 | 0 | 0 | 0 | 113.2 | D267 W268 | D267-T270 PolarHBondContact O-N 3.25Å; W268-T270 VanDerWaalsContact C-N 3.3Å; W268-T270 PolarHBondContact O-N 2.89Å |
| 271 | E | 63.7 | Low | 61.3 | Low | 58 Ų | 58 | 95.6 Ų | 95.6 | 27% | 0.271 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -69.3 | 140.1 | -179.1 | -151.9 | -153.7 | 164.7 | 0 | 0 | 112.4 | Y231 K255 V266 D267 | Y231-E271 HydrophobicContact CE2-CB 3.91Å; Y231-E271 HydrophobicContact CE2-CG 4.48Å; Y231-E271 WeakPolarHBondContact CE2-OE2 3.37Å; Y231-E271 VanDerWaalsContact OH-CD 3.23Å; Y231-E271 PolarHBondContact OH-OE1 3.25Å; Y231-E271 PolarHBondContact OH-OE2 3.17Å; K255-E271 IonicContact NZ-OE1 2.81Å; K255-E271 PolarHBondContact NZ-OE1 3.47Å; K255-E271 IonicContact NZ-OE2 3.35Å; V266-E271 HydrophobicContact CG1-CB 4.41Å; V266-E271 HydrophobicContact CG1-CG 4.37Å; D267-E271 PolarHBondContact O-N 2.91Å |
| 272 | N | 62.8 | Low | 60 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 74% | 0.738 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 138.8 | 177.7 | -71.3 | -70.3 | 0 | 0 | 0 | 111.9 | Y231 | Y231-N272 PolarHBondContact OH-O 3.2Š|
| 273 | I | 64.2 | Low | 58.9 | Low | 60 Ų | 60 | 88.9 Ų | 88.9 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 131.1 | 171.9 | -55.6 | 170.8 | 0 | 0 | 0 | 108.6 | R234 A235 M248 T275 | R234-I273 HydrophobicContact CB-CD1 3.91Å; R234-I273 HydrophobicContact CB-CG1 4.47Å; A235-I273 HydrophobicContact CB-CG2 4.16Å; M248-I273 HydrophobicContact CE-CG2 4.18Å; I273-T275 PolarHBondContact O-N 3.46Å; I273-T275 VanDerWaalsContact O-N 3.09Å |
| 274 | P | 61.2 | Low | 57.8 | Low | 24 Ų | 24 | 88.1 Ų | 88.1 | 16% | 0.156 | 47% | 0.467 | C | S | . | . | trans | -67.4 | 110 | 178.7 | 26.5 | -32.7 | 0 | 0 | 0 | 110.8 | M248 I251 I276 | M248-P274 HydrophobicContact CE-CG 4.05Å; M248-P274 WeakPolarHBondContact CE-O 3.45Å; M248-P274 HydrophobicContact SD-CG 3.86Å; I251-P274 HydrophobicContact CG2-CB 3.87Å; I251-P274 HydrophobicContact CG2-CG 3.79Å; P274-I276 PolarHBondContact O-N 2.76Å; P274-I276 VanDerWaalsContact O-N 3.12Å | ||
| 275 | T | 56.3 | Low | 56.7 | Low | 132 Ų | 132 | 91.7 Ų | 91.7 | 81% | 0.81 | 48% | 0.477 | S | S | * | . | trans | -68 | 108.1 | 175.9 | 40 | 0 | 0 | 0 | 0 | 111.3 | I273 P277 | I273-T275 PolarHBondContact O-N 3.46Å; I273-T275 VanDerWaalsContact O-N 3.09Å; T275-P277 WeakPolarHBondContact O-CD 3.44Å | ||
| 276 | I | 57.9 | Low | 55.8 | Low | 23 Ų | 23 | 90.6 Ų | 90.6 | 12% | 0.118 | 47% | 0.472 | C | S | . | . | trans | -64.6 | 131.9 | 168 | -65.1 | 177 | 0 | 0 | 0 | 109.1 | I239 E244 Q247 M248 I251 P274 S278 | I239-I276 HydrophobicContact CD1-CD1 3.89Å; E244-I276 HydrophobicContact CB-CD1 4.45Å; E244-I276 WeakPolarHBondContact O-CD1 3.49Å; Q247-I276 HydrophobicContact CB-CD1 3.99Å; M248-I276 HydrophobicContact CB-CD1 3.88Å; M248-I276 HydrophobicContact CE-CD1 4.08Å; M248-I276 HydrophobicContact CE-CG1 4.29Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I251-I276 HydrophobicContact CD1-CG1 4Å; P274-I276 PolarHBondContact O-N 2.76Å; P274-I276 VanDerWaalsContact O-N 3.12Å; I276-S278 PolarHBondContact O-N 2.79Å | ||
| 277 | P | 56.7 | Low | 55.1 | Low | 92 Ų | 92 | 92.9 Ų | 92.9 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | trans | -71.1 | 49.8 | 175.5 | -23.4 | 36.7 | 0 | 0 | 0 | 115 | T275 R279 A280 I281 | T275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-R279 PolarHBondContact O-N 2.94Å; P277-R279 VanDerWaalsContact O-N 3.09Å; P277-A280 HydrophobicContact CB-CB 4.17Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 3.3Å; P277-I281 PolarHBondContact O-N 3.4Å | ||
| 278 | S | 55.2 | Low | 54 | Low | 39 Ų | 39 | 89.9 Ų | 89.9 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -46.8 | -43 | -179.4 | -55 | 0 | 0 | 0 | 0 | 113.3 | E244 I276 A280 I281 A282 | E244-S278 WeakPolarHBondContact OE1-CB 3.42Å; E244-S278 PolarHBondContact OE1-OG 3.04Å; I276-S278 PolarHBondContact O-N 2.79Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 2.69Å; S278-I281 PolarHBondContact O-N 2.95Å; S278-A282 WeakPolarHBondContact O-CB 3.3Å; S278-A282 PolarHBondContact O-N 2.69Å |
| 279 | R | 45.6 | Very low | 53 | Low | 221 Ų | 221 | 93.5 Ų | 93.5 | 83% | 0.834 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -29.5 | 177.9 | -88.8 | -175.2 | 171.5 | 175.1 | -1.8 | 113.7 | P277 S283 | P277-R279 PolarHBondContact O-N 2.94Å; P277-R279 VanDerWaalsContact O-N 3.09Å; R279-S283 WeakPolarHBondContact O-CB 3.46Å; R279-S283 PolarHBondContact O-N 3.08Å; R279-S283 VanDerWaalsContact O-N 3.16Å; R279-S283 PolarHBondContact O-OG 3.02Å |
| 280 | A | 48.1 | Very low | 52.2 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.8 | -53.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P277 S278 S283 F284 | P277-A280 HydrophobicContact CB-CB 4.17Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 3.3Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 2.69Å; A280-S283 PolarHBondContact O-N 3.09Å; A280-F284 WeakPolarHBondContact O-CD2 3.36Å; A280-F284 PolarHBondContact O-N 3.31Å |
| 281 | I | 45.7 | Very low | 51.4 | Low | 73 Ų | 73 | 93.6 Ų | 93.6 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | -175.7 | -54.6 | 176.5 | 0 | 0 | 0 | 111.1 | P277 S278 F284 R285 | P277-I281 PolarHBondContact O-N 3.4Å; S278-I281 PolarHBondContact O-N 2.95Å; I281-F284 PolarHBondContact O-N 2.66Å; I281-R285 PolarHBondContact O-N 3.32Å |
| 282 | A | 44.9 | Very low | 50.2 | Low | 59 Ų | 59 | 94.5 Ų | 94.5 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S278 K286 | S278-A282 WeakPolarHBondContact O-CB 3.3Å; S278-A282 PolarHBondContact O-N 2.69Å; A282-K286 PolarHBondContact O-N 2.63Å |
| 283 | S | 44.3 | Very low | 49.1 | Very low | 69 Ų | 69 | 94.5 Ų | 94.5 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72 | -41.3 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | R279 A280 K286 S287 | R279-S283 WeakPolarHBondContact O-CB 3.46Å; R279-S283 PolarHBondContact O-N 3.08Å; R279-S283 VanDerWaalsContact O-N 3.16Å; R279-S283 PolarHBondContact O-OG 3.02Å; A280-S283 PolarHBondContact O-N 3.09Å; S283-K286 WeakPolarHBondContact O-CA 3.42Å; S283-K286 WeakPolarHBondContact O-CB 3.41Å; S283-K286 PolarHBondContact O-N 3.02Å; S283-S287 PolarHBondContact O-N 3.2Å; S283-S287 PolarHBondContact O-OG 3.49Å |
| 284 | F | 42.5 | Very low | 47.8 | Very low | 131 Ų | 131 | 96.6 Ų | 96.6 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.3 | -47.6 | 172.5 | -97.6 | -105.6 | 0 | 0 | 0 | 111.5 | A280 I281 K286 S287 F288 | A280-F284 WeakPolarHBondContact O-CD2 3.36Å; A280-F284 PolarHBondContact O-N 3.31Å; I281-F284 PolarHBondContact O-N 2.66Å; F284-K286 PolarHBondContact O-N 2.85Å; F284-S287 PolarHBondContact O-N 2.66Å; F284-S287 PolarHBondContact O-OG 3.24Å; F284-F288 AromaticContact CD1-CD2 3.91Å; F284-F288 HydrophobicContact CD1-CD2 3.91Å; F284-F288 AromaticContact CD1-CE2 3.57Å; F284-F288 HydrophobicContact CD1-CE2 3.57Å; F284-F288 AromaticContact CE1-CE2 3.82Å; F284-F288 HydrophobicContact CE1-CE2 3.82Å; F284-F288 WeakPolarHBondContact O-CB 3.41Å; F284-F288 WeakPolarHBondContact O-CD2 3.48Å; F284-F288 PolarHBondContact O-N 3.43Å |
| 285 | R | 48.9 | Very low | 46.9 | Very low | 138 Ų | 138 | 100.1 Ų | 100.1 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -2.8 | 174.1 | -72.8 | -179.3 | 172 | -176.2 | 0.4 | 114.8 | E243 I281 F288 | E243-R285 IonicContact OE1-CZ 3.96Å; E243-R285 VanDerWaalsContact OE1-CZ 3.26Å; E243-R285 IonicContact OE1-NH1 3.79Å; E243-R285 PolarHBondContact OE1-NH1 3.36Å; E243-R285 IonicContact OE1-NH2 3.65Å; E243-R285 PolarHBondContact OE1-NH2 3.04Å; E243-R285 IonicContact OE2-CZ 3.7Å; E243-R285 IonicContact OE2-NH1 3.47Å; E243-R285 PolarHBondContact OE2-NH1 2.78Å; E243-R285 IonicContact OE2-NH2 3.64Å; I281-R285 PolarHBondContact O-N 3.32Å; R285-F288 CarbonylContact C-O 3.23Å; R285-F288 VanDerWaalsContact O-O 3.13Å |
| 286 | K | 51.2 | Low | 46.1 | Very low | 184 Ų | 184 | 101 Ų | 101 | 80% | 0.8 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -106.2 | -32.9 | 174.7 | -122.5 | 176.4 | -178.9 | 177.4 | 0 | 113 | A282 S283 F284 | A282-K286 PolarHBondContact O-N 2.63Å; S283-K286 WeakPolarHBondContact O-CA 3.42Å; S283-K286 WeakPolarHBondContact O-CB 3.41Å; S283-K286 PolarHBondContact O-N 3.02Å; F284-K286 PolarHBondContact O-N 2.85Å |
| 287 | S | 48.5 | Very low | 45.5 | Very low | 83 Ų | 83 | 101.4 Ų | 101.4 | 58% | 0.58 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -77.9 | -40.2 | 172.5 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | S283 F284 | S283-S287 PolarHBondContact O-N 3.2Å; S283-S287 PolarHBondContact O-OG 3.49Å; F284-S287 PolarHBondContact O-N 2.66Å; F284-S287 PolarHBondContact O-OG 3.24Å |
| 288 | F | 45.8 | Very low | 44.7 | Very low | 55 Ų | 55 | 103.1 Ų | 103.1 | 24% | 0.241 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -85.7 | 109.6 | 164.2 | -62.6 | -87.8 | 0 | 0 | 0 | 108.6 | F284 R285 I290 S699 | F284-F288 AromaticContact CD1-CD2 3.91Å; F284-F288 HydrophobicContact CD1-CD2 3.91Å; F284-F288 AromaticContact CD1-CE2 3.57Å; F284-F288 HydrophobicContact CD1-CE2 3.57Å; F284-F288 AromaticContact CE1-CE2 3.82Å; F284-F288 HydrophobicContact CE1-CE2 3.82Å; F284-F288 WeakPolarHBondContact O-CB 3.41Å; F284-F288 WeakPolarHBondContact O-CD2 3.48Å; F284-F288 PolarHBondContact O-N 3.43Å; R285-F288 CarbonylContact C-O 3.23Å; R285-F288 VanDerWaalsContact O-O 3.13Å; F288-I290 HydrophobicContact CB-CD1 3.76Å; F288-I290 HydrophobicContact CB-CG1 4.03Å; F288-I290 PolarHBondContact O-N 3.47Å; F288-S699 VanDerWaalsContact CE1-O 3.27Å; F288-S699 WeakPolarHBondContact CE1-O 3.35Å |
| 289 | N | 47.5 | Very low | 44.4 | Very low | 103 Ų | 103 | 107.7 Ų | 107.7 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | trans | -72.2 | 43.8 | -174.9 | -174.3 | 39.9 | 0 | 0 | 0 | 113.7 | R291 | N289-R291 PolarHBondContact O-N 3.48Š| ||
| 290 | I | 45.7 | Very low | 44.2 | Very low | 61 Ų | 61 | 100.2 Ų | 100.2 | 31% | 0.313 | 55% | 0.55 | S | S | . | . | trans | -85.8 | 107.6 | -169.3 | -63.3 | 170.8 | 0 | 0 | 0 | 109.7 | F288 I668 | F288-I290 HydrophobicContact CB-CD1 3.76Å; F288-I290 HydrophobicContact CB-CG1 4.03Å; F288-I290 PolarHBondContact O-N 3.47Å; I290-I668 HydrophobicContact CD1-CD1 3.72Å; I290-I668 HydrophobicContact CD1-CG1 4.43Å | ||
| 291 | R | 43.5 | Very low | 43.7 | Very low | 170 Ų | 170 | 103.8 Ų | 103.8 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | trans | -72.4 | 137.4 | 164.4 | -59.6 | -176.5 | -171 | -135.7 | -1.7 | 108.7 | N289 N293 | N289-R291 PolarHBondContact O-N 3.48Å; R291-N293 VanDerWaalsContact C-N 3.25Å; R291-N293 PolarHBondContact O-N 2.98Å | ||
| 292 | G | 37 | Very low | 43.3 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | trans | -71.6 | 66 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S294 | G292-S294 PolarHBondContact O-N 3.44Å; G292-S294 VanDerWaalsContact O-N 3.1Å | ||
| 293 | N | 40.4 | Very low | 42.8 | Very low | 138 Ų | 138 | 112.5 Ų | 112.5 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -74.9 | 89.4 | 164.3 | -91.3 | 42.6 | 0 | 0 | 0 | 109.1 | R291 V295 | R291-N293 VanDerWaalsContact C-N 3.25Å; R291-N293 PolarHBondContact O-N 2.98Å; N293-V295 PolarHBondContact O-N 2.85Å | ||
| 294 | S | 38.2 | Very low | 42.4 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | trans | -71.9 | 87.7 | 175.2 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | G292 N296 | G292-S294 PolarHBondContact O-N 3.44Å; G292-S294 VanDerWaalsContact O-N 3.1Å; S294-N296 PolarHBondContact O-N 3.27Å | ||
| 295 | V | 41.7 | Very low | 42.1 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | trans | -70.1 | 123.8 | 158.8 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | N293 V297 | N293-V295 PolarHBondContact O-N 2.85Å; V295-V297 HydrophobicContact CG1-CG2 4.19Å; V295-V297 PolarHBondContact O-N 3.48Å | ||
| 296 | N | 38.6 | Very low | 41.7 | Very low | 151 Ų | 151 | 111.7 Ų | 111.7 | 81% | 0.807 | 63% | 0.634 | S | S | * | * | trans | -76 | 72.4 | -178 | -76.8 | -31.8 | 0 | 0 | 0 | 111.2 | S294 V298 | S294-N296 PolarHBondContact O-N 3.27Å; N296-V298 PolarHBondContact O-N 2.89Å; N296-V298 VanDerWaalsContact O-N 3.08Å | ||
| 297 | V | 45.1 | Very low | 40.8 | Very low | 32 Ų | 32 | 115.1 Ų | 115.1 | 19% | 0.194 | 64% | 0.642 | C | S | . | * | trans | -69.2 | 103.7 | 172.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | V295 R299 T665 | V295-V297 HydrophobicContact CG1-CG2 4.19Å; V295-V297 PolarHBondContact O-N 3.48Å; V297-R299 PolarHBondContact O-N 2.81Å; V297-T665 HydrophobicContact CG2-CG2 4.02Å | ||
| 298 | V | 41.3 | Very low | 40.1 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | trans | -64 | 105.4 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | N296 | N296-V298 PolarHBondContact O-N 2.89Å; N296-V298 VanDerWaalsContact O-N 3.08Å | ||
| 299 | R | 47.9 | Very low | 39.7 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 51% | 0.513 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 133 | 176.9 | -63.4 | -168.9 | -179.4 | 99.6 | -7.6 | 109.3 | V297 V301 D667 | V297-R299 PolarHBondContact O-N 2.81Å; R299-V301 PolarHBondContact O-N 3.44Å; R299-D667 IonicContact CZ-OD1 2.64Å; R299-D667 IonicContact CZ-OD2 2.64Å; R299-D667 VanDerWaalsContact CZ-OD2 3.3Å; R299-D667 IonicContact NE-OD1 2.74Å; R299-D667 IonicContact NE-OD2 3.7Å; R299-D667 PolarHBondContact NE-OD2 2.93Å; R299-D667 IonicContact NH2-OD1 3.68Å; R299-D667 PolarHBondContact NH2-OD1 3.44Å; R299-D667 IonicContact NH2-OD2 2.73Å; R299-D667 PolarHBondContact NH2-OD2 3.02Å |
| 300 | P | 42.5 | Very low | 39.1 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 42% | 0.416 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 127.6 | 171.4 | 25.9 | -33.1 | 0 | 0 | 0 | 109.2 | Q302 L639 | P300-Q302 PolarHBondContact O-N 3.4Å; P300-L639 HydrophobicContact CG-CD2 4.45Å |
| 301 | V | 36.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.8 | -177.1 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | R299 L303 | R299-V301 PolarHBondContact O-N 3.44Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.37Å |
| 302 | Q | 36.4 | Very low | 38.6 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | trans | -74.9 | 90.2 | 169.8 | -69.1 | -179 | -93 | 0 | 0 | 108.7 | P300 | P300-Q302 PolarHBondContact O-N 3.4Š| ||
| 303 | L | 34.2 | Very low | 38.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.3 | 166.6 | -74.1 | 168.6 | 0 | 0 | 0 | 109.6 | V301 G305 | V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.37Å; L303-G305 PolarHBondContact O-N 2.89Å |
| 304 | P | 36.4 | Very low | 38.5 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 126.5 | 168.5 | -20.4 | 32.8 | 0 | 0 | 0 | 110 | ||
| 305 | G | 37.4 | Very low | 38.4 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L303 R307 | L303-G305 PolarHBondContact O-N 2.89Å; G305-R307 PolarHBondContact O-N 3.29Å |
| 306 | P | 38.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -69.9 | 100 | -173.8 | 28.2 | -35.1 | 0 | 0 | 0 | 112.1 | G308 | P306-G308 VanDerWaalsContact C-N 3.3Å; P306-G308 PolarHBondContact O-N 2.89Å | ||
| 307 | R | 33.8 | Very low | 38 | Very low | 257 Ų | 257 | 131.7 Ų | 131.7 | 97% | 0.97 | 75% | 0.752 | S | S | * | * | trans | -84.2 | 76.4 | 163.2 | -80.1 | -173.1 | 165.4 | -170.9 | -4.5 | 109.5 | G305 | G305-R307 PolarHBondContact O-N 3.29Š| ||
| 308 | G | 32.5 | Very low | 37.6 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -141.2 | 43.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P306 | P306-G308 VanDerWaalsContact C-N 3.3Å; P306-G308 PolarHBondContact O-N 2.89Å | ||
| 309 | L | 37.3 | Very low | 37.3 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -129.4 | 112.8 | 166.6 | -72.9 | 176.4 | 0 | 0 | 0 | 109.7 | ||||
| 310 | R | 35 | Very low | 36.9 | Very low | 233 Ų | 233 | 133.4 Ų | 133.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -134.7 | 104.9 | 177.6 | -177.7 | -174.3 | -177 | -151.9 | 0.6 | 108.3 | T312 | R310-T312 PolarHBondContact O-N 3.27Š| ||
| 311 | P | 42.6 | Very low | 36.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -61.3 | 131.3 | 177.1 | -23.3 | 34.3 | 0 | 0 | 0 | 111.5 | ||||
| 312 | T | 37.7 | Very low | 36.5 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -87.5 | 122.4 | 172.5 | 46.4 | 0 | 0 | 0 | 0 | 110.1 | R310 | R310-T312 PolarHBondContact O-N 3.27Š| ||
| 313 | G | 37.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -150.2 | 127.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 314 | P | 37.5 | Very low | 37 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -99.2 | 154.2 | -164.2 | 36.7 | -36.1 | 0 | 0 | 0 | 115.8 | ||||
| 315 | S | 35.6 | Very low | 37.1 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | 49 | 101.4 | 144 | -160.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 316 | R | 38.2 | Very low | 36.9 | Very low | 250 Ų | 250 | 142.3 Ų | 142.3 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | -168.6 | 159.3 | 108.6 | -97.3 | 162.4 | -177.4 | -168.2 | 0.4 | 108.5 | |||||
| 317 | G | 33.9 | Very low | 36.6 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -149.4 | 172.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 318 | A | 35.8 | Very low | 36.7 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -159 | 131 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 319 | P | 35 | Very low | 36.6 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | trans | -108.5 | 117.9 | 176.7 | 35.4 | -27.4 | 0 | 0 | 0 | 113.4 | ||||
| 320 | A | 39.9 | Very low | 36.3 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | trans | -138.7 | 118.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 321 | R | 31.5 | Very low | 36 | Very low | 247 Ų | 247 | 133.4 Ų | 133.4 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | 66.4 | 132.8 | 59.7 | -69.8 | -161.8 | 170.4 | -153.9 | -1.1 | 113.6 | |||||
| 322 | L | 39.9 | Very low | 35.6 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | -71.7 | 172.6 | -168.3 | -54.7 | 168.9 | 0 | 0 | 0 | 112.9 | ||||
| 323 | P | 45.5 | Very low | 35.4 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | -121.5 | 152.6 | 123.3 | 35.6 | -32.9 | 0 | 0 | 0 | 113.6 | |||||
| 324 | V | 35.9 | Very low | 35.2 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 83% | 0.825 | S | S | * | * | trans | -119.5 | 135.1 | 167.2 | 169.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 325 | G | 37.2 | Very low | 35.2 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -153.8 | 125.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 326 | L | 33.8 | Very low | 35 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | cis | 93.9 | 90.2 | 43.9 | -72.5 | 172.5 | 0 | 0 | 0 | 114.1 | ||||
| 327 | L | 31.7 | Very low | 34.9 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | 52 | 110.8 | 134.5 | -55.9 | 177.3 | 0 | 0 | 0 | 121.3 | ||||
| 328 | S | 35.9 | Very low | 35.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | -164.6 | 124.1 | 125.7 | -144.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 329 | R | 32.1 | Very low | 35.3 | Very low | 240 Ų | 240 | 137.7 Ų | 137.7 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | cis | 87.2 | 68.6 | 48.7 | -159.1 | -169.9 | 177.3 | 177.1 | -0.1 | 115.5 | ||||
| 330 | G | 29.3 | Very low | 35.8 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 89.1 | 161.1 | 137 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 331 | G | 29.9 | Very low | 35.8 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 136.6 | 84.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 332 | R | 33.1 | Very low | 36.2 | Very low | 234 Ų | 234 | 133.3 Ų | 133.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | 34.6 | 114.8 | 140.3 | -63.9 | 174.4 | 175.6 | 157.2 | -2.8 | 121.3 | ||||
| 333 | N | 34.5 | Very low | 36.2 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | 47.9 | 156.2 | 115.9 | -56.5 | 12.8 | 0 | 0 | 0 | 124.2 | |||||
| 334 | V | 33.3 | Very low | 36.2 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | 95.8 | 142.9 | 151.9 | -153.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 335 | F | 36.4 | Very low | 36.5 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 83.8 | 139.5 | 170.3 | -56.5 | -76.2 | 0 | 0 | 0 | 118.8 | ||||
| 336 | S | 33.1 | Very low | 36.6 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | -179.4 | 136.2 | -39.6 | -108 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 337 | S | 34.7 | Very low | 37 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 66.2 | 155.2 | 148.5 | 83.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 338 | S | 37.8 | Very low | 37.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -166.1 | -156.4 | -17.3 | 45.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 339 | V | 40.7 | Very low | 37.7 | Very low | 112 Ų | 112 | 139 Ų | 139 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | cis | -163.1 | 155.6 | 8.7 | 78.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 340 | V | 44.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 58.1 | 153.5 | 167.4 | -55.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 341 | K | 40 | Very low | 38.7 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | cis | -170.7 | 170.9 | -12.3 | -106.2 | 170.2 | -175.3 | 177.6 | 0 | 105.8 | ||||
| 342 | S | 39.9 | Very low | 39.2 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | cis | -179.6 | 173.1 | -29.9 | 54.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 343 | I | 40.5 | Very low | 39.7 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 71.4 | 139.9 | 168.2 | -67.4 | 170.1 | 0 | 0 | 0 | 114.3 | ||||
| 344 | S | 45 | Very low | 39.8 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -155.7 | 170 | -15.6 | -103.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 345 | P | 43.7 | Very low | 40.1 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -125.3 | 177.2 | -155.8 | 44 | -33.2 | 0 | 0 | 0 | 118.5 | ||||
| 346 | S | 38.6 | Very low | 40.3 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 79.8 | 121 | 148 | -64.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 347 | K | 42.2 | Very low | 40.5 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | -178.4 | 133.4 | 108.4 | -96.1 | 152.2 | -171.4 | 168.7 | 0 | 116.2 | |||||
| 348 | K | 41.8 | Very low | 40.8 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 72.6 | 133.4 | 148.6 | -63.4 | 179.9 | 177.6 | -175.3 | 0 | 121.7 | ||||
| 349 | L | 40.8 | Very low | 41 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -97.2 | 173.7 | 159.7 | -62.9 | 165.5 | 0 | 0 | 0 | 109.5 | ||||
| 350 | P | 44.5 | Very low | 41 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | -144.1 | 168.3 | 92.6 | 38.1 | -22.3 | 0 | 0 | 0 | 116.5 | |||||
| 351 | S | 38.4 | Very low | 40.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 153.2 | -169.2 | 56.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 352 | K | 40.2 | Very low | 41 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -150.6 | 148.2 | 130.7 | -143.6 | 90 | 177 | -169.6 | 0 | 112.9 | ||||
| 353 | S | 43.5 | Very low | 41.3 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | trans | -25.8 | 157.5 | 165.2 | 57.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 354 | R | 36.7 | Very low | 41.3 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | cis | -166.5 | 143.7 | 19.4 | -132.5 | 162.5 | -170 | 172.6 | 0.9 | 110.8 | ||||
| 355 | S | 37.8 | Very low | 41 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -144.9 | 137.4 | 165 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 356 | P | 42 | Very low | 40.9 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -126.5 | 109.6 | 163.1 | 32.6 | -16.5 | 0 | 0 | 0 | 112 | ||||
| 357 | S | 37.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -111 | 138.4 | 157.5 | 60.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 358 | R | 39.9 | Very low | 40.5 | Very low | 244 Ų | 244 | 155.8 Ų | 155.8 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 154 | 114.9 | 153.9 | -86.4 | 154.4 | -170.3 | -104.6 | 1 | 112.4 | ||||
| 359 | S | 42 | Very low | 40.3 | Very low | 106 Ų | 106 | 154.9 Ų | 154.9 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -64.5 | 170.7 | 141.8 | 52 | 0 | 0 | 0 | 0 | 110 | ||||
| 360 | P | 41.6 | Very low | 40 | Very low | 112 Ų | 112 | 157.6 Ų | 157.6 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -153.9 | -178.8 | 33.2 | 44.5 | -22.6 | 0 | 0 | 0 | 119.6 | ||||
| 361 | V | 42 | Very low | 39.6 | Very low | 132 Ų | 132 | 161.2 Ų | 161.2 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | 56.5 | 115.6 | 146.3 | 168.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 362 | S | 42 | Very low | 39.5 | Very low | 121 Ų | 121 | 167.5 Ų | 167.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | -171.7 | 158.4 | 114.6 | 33.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 363 | K | 46.7 | Very low | 39.2 | Very low | 204 Ų | 204 | 165.7 Ų | 165.7 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | -75.6 | 175.9 | -152.9 | -81.8 | 174.9 | 174.8 | 177 | 0 | 117.4 | ||||
| 364 | P | 40.4 | Very low | 39 | Very low | 121 Ų | 121 | 172.1 Ų | 172.1 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -108.9 | 174.5 | -159.7 | 41.9 | -35.4 | 0 | 0 | 0 | 116 | ||||
| 365 | L | 39.6 | Very low | 39 | Very low | 176 Ų | 176 | 172.8 Ų | 172.8 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -134.3 | 166.8 | 165.5 | -98.4 | 171.2 | 0 | 0 | 0 | 112.2 | ||||
| 366 | K | 41.9 | Very low | 38.8 | Very low | 175 Ų | 175 | 172.1 Ų | 172.1 | 76% | 0.761 | 84% | 0.838 | S | S | * | * | trans | -103.7 | 174.3 | -164.7 | -59 | -177.8 | 173.2 | -178.2 | 0 | 115 | ||||
| 367 | D | 38.1 | Very low | 38.6 | Very low | 143 Ų | 143 | 177 Ų | 177 | 77% | 0.765 | 84% | 0.839 | S | S | * | * | trans | 68.3 | 116.2 | 148.2 | -57.3 | -37 | 0 | 0 | 0 | 118.8 | ||||
| 368 | W | 34.2 | Very low | 38.8 | Very low | 264 Ų | 264 | 177.3 Ų | 177.3 | 100% | 1 | 84% | 0.841 | S | S | * | * | trans | -121.9 | 93.3 | 163.8 | -134.7 | 68.2 | 0 | 0 | 0 | 111.1 | ||||
| 369 | Q | 37.1 | Very low | 38.6 | Very low | 179 Ų | 179 | 170.4 Ų | 170.4 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -136.6 | 160.5 | 167.4 | -98.6 | -158.3 | -5.8 | 0 | 0 | 110.3 | ||||
| 370 | R | 35.3 | Very low | 38.5 | Very low | 224 Ų | 224 | 170.8 Ų | 170.8 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | 86.9 | 96.3 | 160.7 | -154 | -179.1 | -56.1 | -166.3 | 4 | 117.2 | ||||
| 371 | K | 34.2 | Very low | 38.3 | Very low | 206 Ų | 206 | 170.8 Ų | 170.8 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | trans | 10.9 | 133 | 138.7 | -56.3 | 175.8 | 180 | 179 | 0 | 117.4 | ||||
| 372 | R | 36.1 | Very low | 38.3 | Very low | 241 Ų | 241 | 169.4 Ų | 169.4 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -137.6 | 139.6 | 146.9 | -165.5 | 166.2 | -73.2 | -149.4 | 0.7 | 111 | ||||
| 373 | L | 34 | Very low | 38.2 | Very low | 153 Ų | 153 | 171 Ų | 171 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | trans | -104 | -169 | 175.8 | -95.3 | 161 | 0 | 0 | 0 | 109.6 | ||||
| 374 | Y | 39.7 | Very low | 37.9 | Very low | 224 Ų | 224 | 164.8 Ų | 164.8 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | 75.9 | 150.9 | -173.3 | -51 | -77.1 | 0 | 0 | 0 | 113.1 | ||||
| 375 | R | 36.5 | Very low | 38 | Very low | 244 Ų | 244 | 169.8 Ų | 169.8 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | cis | -143.3 | 151 | 16.6 | -155.8 | 179.1 | -166.4 | -169.8 | 4.3 | 111.1 | ||||
| 376 | S | 35.3 | Very low | 37.9 | Very low | 108 Ų | 108 | 164.9 Ų | 164.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 141.5 | 177.1 | 51 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 377 | R | 37.7 | Very low | 37.9 | Very low | 235 Ų | 235 | 161.6 Ų | 161.6 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 167.4 | 136.4 | 143.7 | -98.9 | 173 | 174.6 | -165.5 | -3.6 | 112.3 | ||||
| 378 | S | 39.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 160.5 Ų | 160.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 60.5 | 143.5 | 143 | -55 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 379 | S | 37 | Very low | 38.6 | Very low | 99 Ų | 99 | 156.1 Ų | 156.1 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | cis | -169.2 | 157.6 | -5.6 | 37.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | S | 39.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 50 | 123.8 | 156.1 | 54.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 381 | S | 38 | Very low | 39.3 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | -150.8 | 174.6 | 55.7 | 60.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 382 | S | 40.5 | Very low | 39.6 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -51 | 170.5 | 164 | 45.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 383 | E | 40.2 | Very low | 39.7 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -114.8 | -133.6 | 10.7 | -106.6 | -134.9 | 105.1 | 0 | 0 | 116.8 | R385 | E383-R385 IonicContact OE1-NE 3.98Š| ||
| 384 | S | 40.8 | Very low | 40.1 | Very low | 73 Ų | 73 | 134 Ų | 134 | 51% | 0.51 | 77% | 0.768 | S | S | . | * | -168.9 | -171.9 | -122.7 | 84.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 385 | R | 41.9 | Very low | 40.1 | Very low | 227 Ų | 227 | 127.4 Ų | 127.4 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 148.7 | 164 | -68.7 | 161.6 | -164.7 | -133 | 1.9 | 118.1 | E383 | E383-R385 IonicContact OE1-NE 3.98Š| ||
| 386 | G | 39.1 | Very low | 40.3 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 95.9 | 78.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 387 | S | 41.1 | Very low | 40.6 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 68.1 | 107.3 | 75 | -60.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 388 | P | 44.8 | Very low | 40.7 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -114.7 | 143 | -179.7 | 38.7 | -29.3 | 0 | 0 | 0 | 114.8 | ||||
| 389 | H | 42.7 | Very low | 40.7 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -137.3 | 150.9 | -179.6 | -59.6 | -29.8 | 0 | 0 | 0 | 114 | ||||
| 390 | S | 43.8 | Very low | 40.7 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 6.4 | 150.3 | 154.3 | 51.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 391 | S | 41.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -168.6 | -174.4 | -3.1 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 392 | S | 41.3 | Very low | 40.7 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -166.7 | 169.3 | 25.8 | -26.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 393 | S | 38.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 72.9 | 141.6 | 170.2 | 82.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 394 | S | 42 | Very low | 40.6 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | cis | -138.6 | 129.2 | -16 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 395 | S | 40.4 | Very low | 40.6 | Very low | 86 Ų | 86 | 158.5 Ų | 158.5 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | 68.9 | 120.3 | 87.6 | 109.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 396 | F | 40.7 | Very low | 40.5 | Very low | 207 Ų | 207 | 151.1 Ų | 151.1 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | cis | -145.4 | 171 | 3.1 | -84 | -65.7 | 0 | 0 | 0 | 112.9 | ||||
| 397 | R | 39.8 | Very low | 40.5 | Very low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 153.9 | 176 | -60.2 | 166.2 | 166.1 | 175.1 | -5.7 | 110.4 | ||||
| 398 | T | 40.6 | Very low | 40.4 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | -178.9 | 128.5 | 126.3 | 31 | 0 | 0 | 0 | 0 | 109 | |||||
| 399 | K | 40.4 | Very low | 40.2 | Very low | 194 Ų | 194 | 164.2 Ų | 164.2 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | 72.9 | 117.3 | 65.7 | -88.4 | -171.6 | 174.5 | -179.4 | 0 | 115.3 | |||||
| 400 | R | 36.4 | Very low | 40 | Very low | 233 Ų | 233 | 162 Ų | 162 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 6.6 | 137.9 | 148.5 | -61.5 | 175.9 | 173.4 | -178.3 | -2.7 | 118.2 | ||||
| 401 | L | 40.4 | Very low | 39.8 | Very low | 175 Ų | 175 | 160.7 Ų | 160.7 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | -165.9 | 178.1 | 111.3 | -105.6 | 161.9 | 0 | 0 | 0 | 113.5 | |||||
| 402 | R | 37.7 | Very low | 39.8 | Very low | 232 Ų | 232 | 160.6 Ų | 160.6 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -105.7 | 173.5 | -179.7 | -65.8 | 173.5 | 171.7 | 162.3 | -6.1 | 110.9 | ||||
| 403 | R | 39.6 | Very low | 39.8 | Very low | 241 Ų | 241 | 167.5 Ų | 167.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | 102.8 | 118.1 | -176.2 | -62.4 | 159.5 | -176.4 | -171.7 | -0.3 | 109.3 | ||||
| 404 | R | 39 | Very low | 39.9 | Very low | 223 Ų | 223 | 169.9 Ų | 169.9 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | cis | 75.5 | 133.8 | 33.9 | -150 | -165.5 | -166.7 | 178.7 | 6.1 | 112.8 | ||||
| 405 | D | 40.3 | Very low | 39.9 | Very low | 133 Ų | 133 | 169.5 Ų | 169.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 71 | 144.8 | 174.3 | -59.2 | -57.4 | 0 | 0 | 0 | 116.1 | ||||
| 406 | S | 39.8 | Very low | 40.2 | Very low | 73 Ų | 73 | 171.3 Ų | 171.3 | 51% | 0.51 | 82% | 0.815 | S | S | . | * | cis | -167.2 | 173.7 | -19.4 | 57 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 407 | R | 40 | Very low | 40.2 | Very low | 230 Ų | 230 | 171.4 Ų | 171.4 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | 69.6 | 156.3 | 164.7 | -55.4 | 154.7 | -165.6 | -161.3 | -0.6 | 114.5 | ||||
| 408 | S | 38.7 | Very low | 40.4 | Very low | 95 Ų | 95 | 168.3 Ų | 168.3 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | cis | -174.5 | 144.2 | -24.1 | 52.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 409 | R | 39.6 | Very low | 40.7 | Very low | 247 Ų | 247 | 167.2 Ų | 167.2 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | 178.4 | 124.9 | 135 | -99.9 | 156.1 | -173.2 | -164.5 | 0.3 | 111.3 | ||||
| 410 | S | 38.3 | Very low | 41 | Very low | 126 Ų | 126 | 164.8 Ų | 164.8 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -82.7 | 142 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 411 | G | 41.1 | Very low | 41.3 | Very low | 85 Ų | 85 | 161 Ų | 161 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | -126.4 | 97.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 412 | S | 41.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -128 | 126 | 179.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 413 | R | 40.7 | Very low | 42 | Very low | 243 Ų | 243 | 156 Ų | 156 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | 173.5 | 126.1 | 161.5 | -86.2 | 137.2 | -159.6 | -145.8 | 5.3 | 105 | ||||
| 414 | H | 42.3 | Very low | 42.2 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | cis | 82.8 | 84.2 | 24.9 | -154.4 | 98.2 | 0 | 0 | 0 | 115.4 | ||||
| 415 | A | 41.9 | Very low | 42.4 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -154 | 130.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 416 | Q | 45.8 | Very low | 42.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | cis | 93.9 | 132.3 | 38.2 | -79.6 | -109 | -41.3 | 0 | 0 | 113.8 | ||||
| 417 | R | 41.4 | Very low | 42.9 | Very low | 210 Ų | 210 | 151 Ų | 151 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | 76 | 144.3 | 161.1 | -65.3 | 154.8 | -160.5 | -139.8 | -3 | 115.3 | ||||
| 418 | K | 42.3 | Very low | 42.8 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | cis | -150.3 | 135.1 | 1.3 | -106.8 | 160.5 | 175.4 | -170.1 | 0 | 107.7 | ||||
| 419 | T | 46.9 | Very low | 43.1 | Very low | 110 Ų | 110 | 146 Ų | 146 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | 60.9 | 158.3 | 89.8 | 75.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 420 | N | 47 | Very low | 43 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 89.9 | 101 | -175.5 | -49.3 | 11 | 0 | 0 | 0 | 110.7 | ||||
| 421 | D | 43.3 | Very low | 43.4 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | 64.7 | 119.4 | 35.2 | -68.3 | -67.4 | 0 | 0 | 0 | 115.7 | ||||
| 422 | V | 48.3 | Very low | 43.2 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 155.8 | 116.5 | 135.7 | 159.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 423 | K | 45.2 | Very low | 42.9 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 53.2 | 162.8 | 150.1 | -72.3 | -177.4 | 176.5 | -171.4 | 0 | 119.7 | ||||
| 424 | D | 42.5 | Very low | 42.9 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | -143.4 | 170.7 | -4.2 | -106.3 | -33.7 | 0 | 0 | 0 | 105.1 | ||||
| 425 | S | 44.7 | Very low | 42.6 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | cis | 165.1 | 146.7 | -21.9 | -91.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 426 | Q | 49.3 | Very low | 42.6 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 69.6 | 149.8 | 175.4 | -34.3 | -162.9 | 21.3 | 0 | 0 | 115.8 | ||||
| 427 | K | 39.7 | Very low | 42.3 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | -146.1 | 152.6 | -0.4 | -151.4 | 165.5 | -178 | 169.5 | 0 | 112.3 | ||||
| 428 | S | 38.3 | Very low | 42.3 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -61.4 | 160.6 | 166.9 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 429 | T | 44.5 | Very low | 42.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -164.6 | 153.2 | 55.7 | 46.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 430 | P | 39.2 | Very low | 41.8 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -119.3 | 132.3 | 162.6 | 36.1 | -24.4 | 0 | 0 | 0 | 113 | ||||
| 431 | Q | 45.3 | Very low | 41.6 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -154 | 148.5 | 171 | -87.8 | -150 | -12.1 | 0 | 0 | 115.4 | ||||
| 432 | L | 36.8 | Very low | 41.3 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 46.1 | 131.9 | 163.1 | -75.9 | 76.5 | 0 | 0 | 0 | 119.6 | ||||
| 433 | A | 35.1 | Very low | 41 | Very low | 84 Ų | 84 | 151.9 Ų | 151.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | 95.3 | 83.9 | 21.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 434 | T | 41.2 | Very low | 40.7 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -166.5 | 156 | 158.5 | 32.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 435 | R | 37.1 | Very low | 40.5 | Very low | 240 Ų | 240 | 160.4 Ų | 160.4 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | cis | -172 | 137.9 | -24.9 | -164.9 | 172.5 | -178.2 | -179.5 | -1.1 | 108.8 | ||||
| 436 | G | 40.4 | Very low | 40.1 | Very low | 74 Ų | 74 | 160.2 Ų | 160.2 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 83.9 | 162.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 437 | N | 40.7 | Very low | 39.5 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -150.4 | 159.5 | -8.1 | -160.7 | 6.7 | 0 | 0 | 0 | 112.9 | ||||
| 438 | S | 40.8 | Very low | 39.3 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | -11.2 | 141.9 | 167.8 | -54.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 439 | K | 42.6 | Very low | 39.2 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | -152 | 146.2 | 52 | -74.9 | 168.2 | 178.1 | 169.1 | 0 | 112.7 | |||||
| 440 | G | 37.1 | Very low | 38.8 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -115.3 | 157.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 441 | R | 41.3 | Very low | 39 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -139.6 | 72.1 | 172.7 | -159.8 | 175.1 | -173.5 | -173.7 | 1 | 112.4 | ||||
| 442 | R | 38.1 | Very low | 38.7 | Very low | 247 Ų | 247 | 150.5 Ų | 150.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -66.2 | 134.9 | 166.6 | -84.2 | 177.7 | 160.9 | -177.4 | -4.4 | 110.6 | ||||
| 443 | R | 40.7 | Very low | 39 | Very low | 222 Ų | 222 | 147.6 Ų | 147.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -143 | 128.1 | 146.9 | -77.2 | -163.2 | 169.7 | -179.4 | -3.6 | 111 | ||||
| 444 | R | 40.5 | Very low | 39.3 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | 37.9 | 118.1 | 148.9 | -53.5 | -176.1 | 179.4 | -161.5 | -3.1 | 117.5 | ||||
| 445 | R | 37.9 | Very low | 39.6 | Very low | 252 Ų | 252 | 147.6 Ų | 147.6 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | cis | 71 | 116.2 | 31.5 | -158.6 | -168.1 | -169.5 | -157 | 4.3 | 114.2 | ||||
| 446 | G | 36.6 | Very low | 40 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 90 | 143 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 447 | G | 35.6 | Very low | 40.2 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | cis | 132.8 | 131.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 448 | A | 36.6 | Very low | 40.2 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 70.6 | 114.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 449 | S | 34.9 | Very low | 40.3 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 47.7 | 137.9 | 129.6 | 64.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 450 | N | 37 | Very low | 40.4 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 87.6 | 145.7 | 150.3 | -58.2 | -11.9 | 0 | 0 | 0 | 119.5 | ||||
| 451 | A | 42.9 | Very low | 40.6 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 65 | 144.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 452 | D | 38.5 | Very low | 40.6 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | cis | -161.8 | 169 | -29.2 | -156.7 | -6.6 | 0 | 0 | 0 | 108.9 | ||||
| 453 | S | 43.2 | Very low | 40.7 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 55.6 | 133.7 | 149.4 | 66 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 454 | S | 42.3 | Very low | 40.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 68.2 | 142.2 | 148.9 | 71.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 455 | T | 46.8 | Very low | 40.7 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | -156.4 | 154.4 | -6.4 | 3.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 456 | D | 46.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 116.8 Ų | 116.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | 53.6 | 136.4 | 143.7 | -57.6 | -17.6 | 0 | 0 | 0 | 121.5 | ||||
| 457 | A | 43.7 | Very low | 40.8 | Very low | 81 Ų | 81 | 118 Ų | 118 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -155 | 161 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 458 | N | 41.3 | Very low | 40.7 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 23.8 | 140.7 | 145.6 | -63.7 | -20.1 | 0 | 0 | 0 | 120.7 | ||||
| 459 | T | 42.2 | Very low | 40.8 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -152 | 147.5 | 35.6 | -18.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 460 | S | 45.5 | Very low | 40.9 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 8.5 | 143.7 | 143.2 | 66 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 461 | N | 40.9 | Very low | 40.9 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | -174.3 | 166.5 | 18 | -121.6 | 36 | 0 | 0 | 0 | 107 | ||||
| 462 | E | 41.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -146 | -171.2 | 11.4 | -57.6 | -158.3 | 139 | 0 | 0 | 112.5 | ||||
| 463 | D | 40.2 | Very low | 40.7 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -36.5 | 144.3 | 169.1 | -64 | -15.7 | 0 | 0 | 0 | 117.7 | ||||
| 464 | V | 40.1 | Very low | 40.3 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | 78.3 | 94.9 | 19.8 | -165.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 465 | T | 39.9 | Very low | 39.8 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -160 | 109.4 | 133.8 | 20.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 466 | A | 37 | Very low | 39.2 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | 80.3 | 88.3 | 71 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 467 | A | 39.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -155.2 | 135.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 468 | R | 34.9 | Very low | 38.5 | Very low | 260 Ų | 260 | 156.7 Ų | 156.7 | 98% | 0.981 | 84% | 0.84 | S | S | * | * | trans | -98 | 142.6 | 175.3 | -67.1 | 169.3 | 170.4 | 161.1 | -5.4 | 109.8 | ||||
| 469 | G | 37.5 | Very low | 38.2 | Very low | 80 Ų | 80 | 161.6 Ų | 161.6 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -175.9 | 98.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 470 | R | 37.4 | Very low | 37.8 | Very low | 264 Ų | 264 | 159.7 Ų | 159.7 | 100% | 0.996 | 85% | 0.852 | S | S | * | * | trans | -85.5 | 128.9 | 163.2 | -69.5 | -178.4 | 175.7 | -171.8 | -0.6 | 108.8 | ||||
| 471 | G | 36.4 | Very low | 37.2 | Very low | 79 Ų | 79 | 160.5 Ų | 160.5 | 81% | 0.814 | 86% | 0.858 | S | S | * | * | trans | -166 | 131.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 472 | R | 40.6 | Very low | 36.9 | Very low | 257 Ų | 257 | 162.4 Ų | 162.4 | 97% | 0.97 | 87% | 0.866 | S | S | * | * | trans | -90.2 | 133.7 | 177.4 | -77.9 | -178.8 | 169.2 | -174.4 | -3.1 | 111 | ||||
| 473 | G | 36.6 | Very low | 36.8 | Very low | 77 Ų | 77 | 159.5 Ų | 159.5 | 79% | 0.794 | 86% | 0.863 | S | S | * | * | trans | 63.8 | 104.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 474 | N | 36.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 161.8 Ų | 161.8 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | trans | -151.3 | 107.5 | 138.3 | -146.3 | 0.7 | 0 | 0 | 0 | 110.4 | ||||
| 475 | W | 30.4 | Very low | 36.9 | Very low | 266 Ų | 266 | 165.6 Ų | 165.6 | 100% | 1.008 | 88% | 0.876 | S | S | * | * | trans | -114.5 | 76.3 | -171.6 | -136.4 | 34.4 | 0 | 0 | 0 | 111.3 | ||||
| 476 | R | 34.6 | Very low | 37.4 | Very low | 244 Ų | 244 | 164.4 Ų | 164.4 | 92% | 0.921 | 87% | 0.868 | S | S | * | * | trans | -153.5 | 148.1 | 167.8 | -117.5 | 179.4 | -175.4 | -134.1 | 0.5 | 112.6 | ||||
| 477 | S | 38.1 | Very low | 38.2 | Very low | 118 Ų | 118 | 165 Ų | 165 | 83% | 0.825 | 86% | 0.864 | S | S | * | * | trans | 72.9 | 82.3 | 169.6 | -153.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 478 | K | 36.9 | Very low | 38.9 | Very low | 209 Ų | 209 | 164.7 Ų | 164.7 | 91% | 0.909 | 85% | 0.853 | S | S | * | * | -148.5 | 110.3 | 122.3 | -141.7 | 165.2 | -173.6 | 174.2 | 0 | 110.8 | |||||
| 479 | R | 35.7 | Very low | 40.2 | Very low | 256 Ų | 256 | 155.4 Ų | 155.4 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | trans | -74.4 | 145.9 | 167 | -89.1 | -178.1 | 164.5 | -169 | -3.9 | 108.8 | ||||
| 480 | G | 33.6 | Very low | 41.7 | Very low | 82 Ų | 82 | 159 Ų | 159 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 121.7 | 66.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 481 | S | 33 | Very low | 43.4 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -161 | 136.7 | 140 | -170 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 482 | I | 34.7 | Very low | 45.3 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -117.5 | 69.2 | 179.2 | -170.4 | 65 | 0 | 0 | 0 | 109.5 | ||||
| 483 | S | 39.2 | Very low | 47 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -92 | 109.1 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 484 | K | 41.3 | Very low | 49 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | 13.6 | 122 | 152.9 | -61.1 | 178.5 | 179.9 | -180 | 0 | 117.4 | T486 | K484-T486 PolarHBondContact O-N 2.92Š| ||
| 485 | H | 41.1 | Very low | 51 | Low | 199 Ų | 199 | 147 Ų | 147 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 118.1 | 167.3 | -117.9 | -92.3 | 0 | 0 | 0 | 111.5 | ||
| 486 | T | 50.7 | Low | 53.1 | Low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 141 | 163.3 | 51 | 0 | 0 | 0 | 0 | 109.5 | K484 | K484-T486 PolarHBondContact O-N 2.92Š|
| 487 | P | 53.1 | Low | 55.1 | Low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 158.1 | 169.2 | 28.1 | -34.6 | 0 | 0 | 0 | 110.7 | S489 | P487-S489 PolarHBondContact O-N 2.91Å; P487-S489 VanDerWaalsContact O-N 3.12Å |
| 488 | P | 55.1 | Low | 56.9 | Low | 100 Ų | 100 | 131.3 Ų | 131.3 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119 | 175.5 | 26.1 | -33.7 | 0 | 0 | 0 | 109.5 | E490 | P488-E490 PolarHBondContact O-N 3.35Š|
| 489 | S | 61.5 | Low | 58.8 | Low | 66 Ų | 66 | 130.6 Ų | 130.6 | 46% | 0.462 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 128.7 | -178 | 57 | 0 | 0 | 0 | 0 | 111.6 | P487 S491 R492 | P487-S489 PolarHBondContact O-N 2.91Å; P487-S489 VanDerWaalsContact O-N 3.12Å; S489-S491 PolarHBondContact O-N 2.81Å; S489-R492 WeakPolarHBondContact O-CB 3.47Å; S489-R492 PolarHBondContact O-N 3.12Å |
| 490 | E | 68.7 | Low | 60.5 | Low | 154 Ų | 154 | 124.7 Ų | 124.7 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -46 | -40.8 | -177.6 | -169.2 | 171 | -166.4 | 0 | 0 | 113.2 | P488 R492 L493 T494 | P488-E490 PolarHBondContact O-N 3.35Å; E490-R492 PolarHBondContact O-N 3.32Å; E490-R492 VanDerWaalsContact O-N 3.08Å; E490-L493 WeakPolarHBondContact O-CA 3.25Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.99Å; E490-T494 PolarHBondContact O-N 3.48Å; E490-T494 PolarHBondContact O-OG1 3.24Å |
| 491 | S | 73.6 | Confident | 62 | Low | 82 Ų | 82 | 127.7 Ų | 127.7 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -40.3 | -43.8 | 168.2 | 171.2 | 0 | 0 | 0 | 0 | 114.9 | S489 Q495 | S489-S491 PolarHBondContact O-N 2.81Å; S491-Q495 VanDerWaalsContact O-CB 3.24Å; S491-Q495 WeakPolarHBondContact O-CB 3.24Å; S491-Q495 PolarHBondContact O-N 3.27Å |
| 492 | R | 75.8 | Confident | 63.5 | Low | 184 Ų | 184 | 128.8 Ų | 128.8 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.9 | -23.8 | 179.8 | -80.6 | -176.4 | 166.4 | -179.3 | -3.2 | 113.6 | S489 E490 R496 | S489-R492 WeakPolarHBondContact O-CB 3.47Å; S489-R492 PolarHBondContact O-N 3.12Å; E490-R492 PolarHBondContact O-N 3.32Å; E490-R492 VanDerWaalsContact O-N 3.08Å; R492-R496 WeakPolarHBondContact O-CB 3.3Å; R492-R496 PolarHBondContact O-N 3.4Å |
| 493 | L | 76.8 | Confident | 64.6 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.2 | -48 | 170.6 | -73 | 160.3 | 0 | 0 | 0 | 109.2 | E490 Q495 R496 A497 | E490-L493 WeakPolarHBondContact O-CA 3.25Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.99Å; L493-Q495 PolarHBondContact O-N 3.01Å; L493-R496 WeakPolarHBondContact O-CA 3.33Å; L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 2.64Å; L493-A497 PolarHBondContact O-N 3.15Å |
| 494 | T | 78.9 | Confident | 65.5 | Low | 87 Ų | 87 | 127.8 Ų | 127.8 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -59.7 | -43.2 | 176.9 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | E490 R496 A497 S498 | E490-T494 PolarHBondContact O-N 3.48Å; E490-T494 PolarHBondContact O-OG1 3.24Å; T494-R496 PolarHBondContact O-N 3.01Å; T494-A497 PolarHBondContact O-N 3.18Å; T494-S498 WeakPolarHBondContact O-CB 3.48Å; T494-S498 PolarHBondContact O-N 3.09Å |
| 495 | Q | 79.1 | Confident | 66.2 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.2 | -15.4 | 175.6 | -163.9 | -177.3 | 41.2 | 0 | 0 | 113.5 | S491 L493 S498 | S491-Q495 VanDerWaalsContact O-CB 3.24Å; S491-Q495 WeakPolarHBondContact O-CB 3.24Å; S491-Q495 PolarHBondContact O-N 3.27Å; L493-Q495 PolarHBondContact O-N 3.01Å; Q495-S498 PolarHBondContact O-OG 3.48Å |
| 496 | R | 74.6 | Confident | 66.8 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 66% | 0.66 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.5 | -40.4 | 172.1 | -152.2 | 176.7 | -162.7 | 131.1 | 0.3 | 110.8 | R492 L493 T494 | R492-R496 WeakPolarHBondContact O-CB 3.3Å; R492-R496 PolarHBondContact O-N 3.4Å; L493-R496 WeakPolarHBondContact O-CA 3.33Å; L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 2.64Å; T494-R496 PolarHBondContact O-N 3.01Å |
| 497 | A | 75.1 | Confident | 66.5 | Low | 64 Ų | 64 | 120 Ų | 120 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L493 T494 R499 F500 | L493-A497 PolarHBondContact O-N 3.15Å; T494-A497 PolarHBondContact O-N 3.18Å; A497-R499 PolarHBondContact O-N 2.74Å; A497-R499 VanDerWaalsContact O-N 3.13Å; A497-F500 PolarHBondContact O-N 3.42Å |
| 498 | S | 75.6 | Confident | 66.3 | Low | 60 Ų | 60 | 121.4 Ų | 121.4 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59 | -28.4 | -179.5 | 68 | 0 | 0 | 0 | 0 | 113.4 | T494 Q495 F500 K501 | T494-S498 WeakPolarHBondContact O-CB 3.48Å; T494-S498 PolarHBondContact O-N 3.09Å; Q495-S498 PolarHBondContact O-OG 3.48Å; S498-F500 PolarHBondContact O-N 3.21Å; S498-K501 WeakPolarHBondContact O-CB 3.49Å; S498-K501 PolarHBondContact O-N 3.42Å |
| 499 | R | 77.1 | Confident | 66 | Low | 193 Ų | 193 | 122.4 Ų | 122.4 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -21.8 | 176.6 | -63.6 | -177.8 | 178.6 | -148.8 | -4.2 | 114.3 | A497 | A497-R499 PolarHBondContact O-N 2.74Å; A497-R499 VanDerWaalsContact O-N 3.13Å |
| 500 | F | 72.1 | Confident | 65 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -96.7 | -11.7 | 177.8 | -66.4 | -82 | 0 | 0 | 0 | 112.5 | A497 S498 D502 H503 L504 | A497-F500 PolarHBondContact O-N 3.42Å; S498-F500 PolarHBondContact O-N 3.21Å; F500-D502 PolarHBondContact O-N 3.33Å; F500-H503 PolarHBondContact O-N 2.95Å; F500-L504 HydrophobicContact CB-CD1 4.37Å; F500-L504 WeakPolarHBondContact O-CD1 3.29Å; F500-L504 WeakPolarHBondContact O-CG 3.18Å; F500-L504 PolarHBondContact O-N 3Å |
| 501 | K | 65.2 | Low | 63.7 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.8 | -47.1 | -173.6 | -167.1 | 179.9 | -179.4 | -173.9 | 0 | 111.7 | S498 H503 L504 | S498-K501 WeakPolarHBondContact O-CB 3.49Å; S498-K501 PolarHBondContact O-N 3.42Å; K501-H503 PolarHBondContact O-N 3.45Å; K501-L504 PolarHBondContact O-N 2.84Å; K501-L504 VanDerWaalsContact O-N 3.16Å |
| 502 | D | 63.8 | Low | 62.4 | Low | 133 Ų | 133 | 121.2 Ų | 121.2 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.6 | -25.2 | -177.1 | -53.6 | -25.2 | 0 | 0 | 0 | 112.3 | F500 | F500-D502 PolarHBondContact O-N 3.33Å |
| 503 | H | 58.9 | Low | 61.2 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -83.1 | -11 | 177 | -117.9 | -60.8 | 0 | 0 | 0 | 114.1 | F500 K501 | F500-H503 PolarHBondContact O-N 2.95Å; K501-H503 PolarHBondContact O-N 3.45Å |
| 504 | L | 58.3 | Low | 60.2 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -97.5 | -12.8 | -179.7 | -77.1 | 162.3 | 0 | 0 | 0 | 113.6 | F500 K501 Q506 S507 I514 | F500-L504 HydrophobicContact CB-CD1 4.37Å; F500-L504 WeakPolarHBondContact O-CD1 3.29Å; F500-L504 WeakPolarHBondContact O-CG 3.18Å; F500-L504 PolarHBondContact O-N 3Å; K501-L504 PolarHBondContact O-N 2.84Å; K501-L504 VanDerWaalsContact O-N 3.16Å; L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3.02Å; L504-S507 PolarHBondContact O-OG 3.01Å; L504-S507 VanDerWaalsContact O-OG 3.09Å; L504-I514 HydrophobicContact CD1-CD1 4.14Å |
| 505 | V | 54.7 | Low | 58.9 | Low | 118 Ų | 118 | 117 Ų | 117 | 72% | 0.715 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -16.7 | -176.1 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 506 | Q | 53.3 | Low | 57.5 | Low | 177 Ų | 177 | 116.2 Ų | 116.2 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -1 | -178.2 | -67.1 | -179.8 | -11.5 | 0 | 0 | 114.2 | L504 | L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3.02Å |
| 507 | S | 45.7 | Very low | 56.4 | Low | 54 Ų | 54 | 112.2 Ų | 112.2 | 38% | 0.378 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -102.6 | 124.2 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | L504 I509 | L504-S507 PolarHBondContact O-OG 3.01Å; L504-S507 VanDerWaalsContact O-OG 3.09Å; S507-I509 PolarHBondContact O-N 3.37Å |
| 508 | P | 47.8 | Very low | 55.5 | Low | 138 Ų | 138 | 114.6 Ų | 114.6 | 90% | 0.896 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -76.4 | 27 | -176.2 | 33.1 | -37.5 | 0 | 0 | 0 | 114.2 | ||
| 509 | I | 50.4 | Low | 54.4 | Low | 122 Ų | 122 | 116 Ų | 116 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -119.1 | 127.2 | -176.8 | -59.8 | 178.7 | 0 | 0 | 0 | 108.7 | S507 | S507-I509 PolarHBondContact O-N 3.37Š|
| 510 | G | 39.6 | Very low | 53.3 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | trans | -60.2 | 145.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | G512 | G510-G512 PolarHBondContact O-N 3.42Š| ||
| 511 | S | 40.9 | Very low | 52.4 | Low | 136 Ų | 136 | 108.7 Ų | 108.7 | 95% | 0.951 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 99.1 | 177.2 | 167.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 512 | G | 46.2 | Very low | 52 | Low | 75 Ų | 75 | 107.1 Ų | 107.1 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.7 | -10.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | G510 | G510-G512 PolarHBondContact O-N 3.42Š|
| 513 | S | 51.8 | Low | 51.4 | Low | 47 Ų | 47 | 104 Ų | 104 | 33% | 0.329 | 63% | 0.626 | S | S | . | * | trans | -110.3 | 32 | -158.6 | -167.7 | 0 | 0 | 0 | 0 | 117.2 | A515 R516 | S513-A515 VanDerWaalsContact C-N 3.28Å; S513-A515 PolarHBondContact O-N 2.83Å; S513-R516 WeakPolarHBondContact OG-CD 3.48Å; S513-R516 PolarHBondContact OG-NE 2.95Å; S513-R516 PolarHBondContact OG-NH1 3.3Å | ||
| 514 | I | 54.3 | Low | 50.8 | Low | 146 Ų | 146 | 100.4 Ų | 100.4 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -6.1 | -173.8 | -60.1 | 175.1 | 0 | 0 | 0 | 113.4 | L504 | L504-I514 HydrophobicContact CD1-CD1 4.14Š|
| 515 | A | 52.6 | Low | 50.4 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S513 | S513-A515 VanDerWaalsContact C-N 3.28Å; S513-A515 PolarHBondContact O-N 2.83Å |
| 516 | R | 50.1 | Low | 50 | Low | 109 Ų | 109 | 105 Ų | 105 | 41% | 0.411 | 63% | 0.625 | S | S | . | * | trans | -81.7 | 124.5 | -178.5 | -68.3 | -172.7 | -169.1 | 150.5 | 5 | 111 | S513 Q520 L521 | S513-R516 WeakPolarHBondContact OG-CD 3.48Å; S513-R516 PolarHBondContact OG-NE 2.95Å; S513-R516 PolarHBondContact OG-NH1 3.3Å; R516-Q520 HydrophobicContact CB-CB 3.76Å; R516-Q520 WeakPolarHBondContact CD-O 3.39Å; R516-Q520 HydrophobicContact CG-CB 4.08Å; R516-L521 HydrophobicContact CB-CD2 4.33Å; R516-L521 HydrophobicContact CB-CG 4.28Å | ||
| 517 | T | 52 | Low | 49.5 | Very low | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | trans | -59.1 | 160.2 | 165.6 | 9.7 | 0 | 0 | 0 | 0 | 110.4 | S519 Q520 L521 | T517-S519 VanDerWaalsContact C-N 3.28Å; T517-S519 PolarHBondContact O-N 2.79Å; T517-Q520 CarbonylContact O-C 3.59Å; T517-Q520 WeakPolarHBondContact O-CA 3.27Å; T517-Q520 WeakPolarHBondContact O-CB 3.3Å; T517-Q520 PolarHBondContact O-N 3.41Å; T517-L521 PolarHBondContact O-N 2.94Å | ||
| 518 | T | 54.3 | Low | 49.5 | Very low | 114 Ų | 114 | 108.2 Ų | 108.2 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -50.7 | -45.2 | 179.1 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | Q520 L521 L522 | T518-Q520 VanDerWaalsContact C-N 3.25Å; T518-Q520 PolarHBondContact O-N 3.26Å; T518-L521 PolarHBondContact O-N 3.44Å; T518-L522 VanDerWaalsContact O-CD1 3.31Å; T518-L522 WeakPolarHBondContact O-CD1 3.46Å; T518-L522 PolarHBondContact O-N 2.7Å |
| 519 | S | 52.4 | Low | 49.4 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57.4 | -32.2 | 173.3 | 162.5 | 0 | 0 | 0 | 0 | 114.2 | T517 S523 | T517-S519 VanDerWaalsContact C-N 3.28Å; T517-S519 PolarHBondContact O-N 2.79Å; S519-S523 PolarHBondContact O-N 3.25Å |
| 520 | Q | 55.7 | Low | 48.7 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 43% | 0.425 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -84.5 | -7.8 | 177 | -69.7 | -176.9 | -10 | 0 | 0 | 113.9 | R516 T517 T518 S523 N524 | R516-Q520 HydrophobicContact CB-CB 3.76Å; R516-Q520 WeakPolarHBondContact CD-O 3.39Å; R516-Q520 HydrophobicContact CG-CB 4.08Å; T517-Q520 CarbonylContact O-C 3.59Å; T517-Q520 WeakPolarHBondContact O-CA 3.27Å; T517-Q520 WeakPolarHBondContact O-CB 3.3Å; T517-Q520 PolarHBondContact O-N 3.41Å; T518-Q520 VanDerWaalsContact C-N 3.25Å; T518-Q520 PolarHBondContact O-N 3.26Å; Q520-S523 WeakPolarHBondContact CA-OG 3.29Å; Q520-S523 PolarHBondContact O-OG 2.95Å; Q520-N524 PolarHBondContact O-OD1 2.96Å; Q520-N524 VanDerWaalsContact O-OD1 3.04Å |
| 521 | L | 53.1 | Low | 49.2 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 43% | 0.429 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -81.4 | -41 | 166.1 | -72.9 | 168.9 | 0 | 0 | 0 | 110.1 | R516 T517 T518 N524 | R516-L521 HydrophobicContact CB-CD2 4.33Å; R516-L521 HydrophobicContact CB-CG 4.28Å; T517-L521 PolarHBondContact O-N 2.94Å; T518-L521 PolarHBondContact O-N 3.44Å; L521-N524 PolarHBondContact O-N 3.44Å |
| 522 | L | 55.7 | Low | 49.7 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 58% | 0.581 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -82.6 | 72.3 | 0 | 0 | 0 | 112.2 | T518 N524 Y525 | T518-L522 VanDerWaalsContact O-CD1 3.31Å; T518-L522 WeakPolarHBondContact O-CD1 3.46Å; T518-L522 PolarHBondContact O-N 2.7Å; L522-N524 PolarHBondContact O-N 3.19Å; L522-Y525 PolarHBondContact O-N 3.33Å |
| 523 | S | 52.7 | Low | 49.6 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 46% | 0.462 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | -1.1 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 115.6 | S519 Q520 | S519-S523 PolarHBondContact O-N 3.25Å; Q520-S523 WeakPolarHBondContact CA-OG 3.29Å; Q520-S523 PolarHBondContact O-OG 2.95Å |
| 524 | N | 46.3 | Very low | 49.3 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.4 | 9.1 | -173.4 | -81.7 | 81.5 | 0 | 0 | 0 | 113.1 | Q520 L521 L522 | Q520-N524 PolarHBondContact O-OD1 2.96Å; Q520-N524 VanDerWaalsContact O-OD1 3.04Å; L521-N524 PolarHBondContact O-N 3.44Å; L522-N524 PolarHBondContact O-N 3.19Å |
| 525 | Y | 49.4 | Very low | 48.9 | Very low | 188 Ų | 188 | 119.5 Ų | 119.5 | 74% | 0.737 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -101.6 | 3.1 | 166.1 | -89.5 | -86.5 | 0 | 0 | 0 | 112.8 | L522 | L522-Y525 PolarHBondContact O-N 3.33Š|
| 526 | T | 45 | Very low | 48.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -107.5 | 55.6 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 527 | D | 42.8 | Very low | 48.8 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -153.9 | 139.7 | 165.6 | -144.5 | -2.3 | 0 | 0 | 0 | 107.6 | ||
| 528 | E | 46.2 | Very low | 48.5 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 60.9 | 95.4 | -174.4 | -63.3 | -69.9 | 122.7 | 0 | 0 | 117.8 | ||
| 529 | R | 46.1 | Very low | 48.3 | Very low | 227 Ų | 227 | 117.6 Ų | 117.6 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | trans | 96.7 | 131 | 152.4 | -54 | 179.7 | -173.1 | -153.3 | -2.3 | 121 | ||||
| 530 | D | 36.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -14.7 | 161.9 | 167.7 | -56.5 | -50.6 | 0 | 0 | 0 | 123.5 | L532 | D530-L532 PolarHBondContact O-N 3.46Š|
| 531 | D | 49.4 | Very low | 49.2 | Very low | 160 Ų | 160 | 117.6 Ų | 117.6 | 86% | 0.856 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 65.3 | -5.6 | 156.4 | -64.3 | -19.8 | 0 | 0 | 0 | 121.2 | ||
| 532 | L | 50.9 | Low | 50.3 | Low | 153 Ų | 153 | 118.1 Ų | 118.1 | 80% | 0.801 | 64% | 0.639 | S | S | * | * | trans | -120.7 | 35.8 | 176.7 | -70 | 177.3 | 0 | 0 | 0 | 115.4 | D530 V534 | D530-L532 PolarHBondContact O-N 3.46Å; L532-V534 PolarHBondContact O-N 3.41Å | ||
| 533 | A | 43.8 | Very low | 51.3 | Low | 104 Ų | 104 | 113 Ų | 113 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | trans | -72.4 | 67.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D535 | A533-D535 PolarHBondContact O-N 3.09Å; A533-D535 VanDerWaalsContact O-N 3.09Å | ||
| 534 | V | 46 | Very low | 52.9 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | trans | -63.4 | 110.7 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | L532 F536 | L532-V534 PolarHBondContact O-N 3.41Å; V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 WeakPolarHBondContact O-CD2 3.38Å; V534-F536 PolarHBondContact O-N 3.42Å | ||
| 535 | D | 45.1 | Very low | 54.8 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 54% | 0.54 | 60% | 0.599 | S | S | . | * | trans | -68 | 96.7 | 176.4 | 175.5 | 23.2 | 0 | 0 | 0 | 110.1 | A533 G537 S538 | A533-D535 PolarHBondContact O-N 3.09Å; A533-D535 VanDerWaalsContact O-N 3.09Å; D535-G537 PolarHBondContact O-N 3.44Å; D535-G537 VanDerWaalsContact O-N 3.15Å; D535-G537 WeakPolarHBondContact OD1-CA 3.45Å; D535-G537 PolarHBondContact OD1-N 3.47Å; D535-S538 WeakPolarHBondContact O-CB 3.06Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.18Å; D535-S538 PolarHBondContact OD2-N 3.49Å | ||
| 536 | F | 49.8 | Very low | 56.6 | Low | 155 Ų | 155 | 109.6 Ų | 109.6 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -13.9 | 175 | -73.5 | -83.7 | 0 | 0 | 0 | 113.1 | V534 C539 | V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 WeakPolarHBondContact O-CD2 3.38Å; V534-F536 PolarHBondContact O-N 3.42Å; F536-C539 PolarHBondContact O-N 3.08Å |
| 537 | G | 50.6 | Low | 58.6 | Low | 54 Ų | 54 | 110 Ų | 110 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -36.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.8 | D535 C539 Q540 | D535-G537 PolarHBondContact O-N 3.44Å; D535-G537 VanDerWaalsContact O-N 3.15Å; D535-G537 WeakPolarHBondContact OD1-CA 3.45Å; D535-G537 PolarHBondContact OD1-N 3.47Å; G537-C539 PolarHBondContact O-N 3.31Å; G537-Q540 PolarHBondContact O-N 3.21Å |
| 538 | S | 46.4 | Very low | 60.8 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -19.3 | 175 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | D535 Q540 | D535-S538 WeakPolarHBondContact O-CB 3.06Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.18Å; D535-S538 PolarHBondContact OD2-N 3.49Å; S538-Q540 PolarHBondContact O-N 3.23Å |
| 539 | C | 51 | Low | 63 | Low | 77 Ų | 77 | 102.7 Ų | 102.7 | 52% | 0.52 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | 29 | 178 | -68.4 | 0 | 0 | 0 | 0 | 113.4 | F536 G537 I541 | F536-C539 PolarHBondContact O-N 3.08Å; G537-C539 PolarHBondContact O-N 3.31Å; C539-I541 PolarHBondContact O-N 2.88Å |
| 540 | Q | 59.9 | Low | 65 | Low | 106 Ų | 106 | 93 Ų | 93 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | trans | -66.6 | 105.7 | 176.1 | -168.8 | 171 | 33 | 0 | 0 | 110.3 | G537 S538 V542 Q604 | G537-Q540 PolarHBondContact O-N 3.21Å; S538-Q540 PolarHBondContact O-N 3.23Å; Q540-V542 PolarHBondContact O-N 3.16Å; Q540-Q604 WeakPolarHBondContact CG-O 3.26Å; Q540-Q604 PolarHBondContact NE2-O 3.01Å | ||
| 541 | I | 65.9 | Low | 67.5 | Low | 75 Ų | 75 | 93.7 Ų | 93.7 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | trans | -67.1 | 99.8 | 177.6 | -57.5 | 174.6 | 0 | 0 | 0 | 108.2 | C539 P561 Q604 | C539-I541 PolarHBondContact O-N 2.88Å; I541-P561 HydrophobicContact CG2-CB 4.37Å; I541-P561 HydrophobicContact CG2-CG 4.07Å; I541-Q604 WeakPolarHBondContact O-CG 3.36Å | ||
| 542 | V | 75.8 | Confident | 69.3 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | trans | -79.5 | 126.6 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | Q540 P566 | Q540-V542 PolarHBondContact O-N 3.16Å; V542-P566 HydrophobicContact CG1-CB 4.34Å | ||
| 543 | G | 77.7 | Confident | 70.9 | Confident | 3 Ų | 3 | 87.7 Ų | 87.7 | 3% | 0.031 | 48% | 0.479 | C | S | . | . | trans | -67.7 | 153.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V564 P566 Q604 | G543-V564 CarbonylContact C-O 3.57Å; G543-V564 VanDerWaalsContact C-O 3.23Å; G543-V564 WeakPolarHBondContact CA-O 3.5Å; G543-P566 VanDerWaalsContact O-CB 3.24Å; G543-P566 WeakPolarHBondContact O-CB 3.13Å; G543-P566 WeakPolarHBondContact O-CD 3.49Å; G543-P566 WeakPolarHBondContact O-CG 3.42Å; G543-Q604 VanDerWaalsContact N-OE1 3.16Å | ||
| 544 | T | 85.7 | Confident | 72.8 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | trans | -120.8 | -2.8 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 114 | Q546 P561 T562 V564 | T544-Q546 PolarHBondContact O-N 3.04Å; T544-P561 PolarHBondContact N-O 3.38Å; T544-P561 PolarHBondContact OG1-O 3.35Å; T544-T562 WeakPolarHBondContact OG1-CA 3.27Å; T544-T562 PolarHBondContact OG1-N 3.2Å; T544-V564 PolarHBondContact N-O 3.16Å | ||
| 545 | M | 86.2 | Confident | 74.5 | Confident | 31 Ų | 31 | 92.2 Ų | 92.2 | 15% | 0.153 | 47% | 0.471 | C | S | . | . | trans | -67.8 | 124.5 | 180 | -167.8 | 177.5 | -172.4 | 0 | 0 | 111.6 | E547 K550 T562 E563 V564 R565 P566 | M545-E547 HydrophobicContact CE-CB 3.95Å; M545-E547 HydrophobicContact CE-CG 4.19Å; M545-E547 WeakPolarHBondContact CE-OE2 3.39Å; M545-E547 HydrophobicContact CG-CB 4.32Å; M545-K550 HydrophobicContact CE-CB 4.18Å; M545-K550 HydrophobicContact CE-CD 4.21Å; M545-K550 HydrophobicContact CE-CG 3.87Å; M545-K550 HydrophobicContact SD-CD 3.77Å; M545-K550 HydrophobicContact SD-CG 4.12Å; M545-T562 WeakPolarHBondContact CB-O 3.26Å; M545-E563 VanDerWaalsContact SD-O 3.39Å; M545-V564 VanDerWaalsContact CB-C 3.49Å; M545-V564 WeakPolarHBondContact CB-O 3.38Å; M545-V564 PolarHBondContact N-O 3Å; M545-R565 HydrophobicContact CB-CG 4Å; M545-R565 HydrophobicContact CG-CG 4.12Å; M545-R565 HydrophobicContact SD-CG 4.13Å; M545-P566 WeakPolarHBondContact O-CD 3.41Å | ||
| 546 | Q | 87.7 | Confident | 76.2 | Confident | 162 Ų | 162 | 93.2 Ų | 93.2 | 76% | 0.757 | 48% | 0.48 | S | S | * | . | trans | -96.6 | -5.6 | -178 | -61.5 | -175.5 | 6.9 | 0 | 0 | 114.1 | T544 | T544-Q546 PolarHBondContact O-N 3.04Š| ||
| 547 | E | 87.8 | Confident | 77.8 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | trans | -69.3 | 138.7 | 178.8 | -59.3 | -174.6 | 162.6 | 0 | 0 | 111.5 | M545 R565 I569 | M545-E547 HydrophobicContact CE-CB 3.95Å; M545-E547 HydrophobicContact CE-CG 4.19Å; M545-E547 WeakPolarHBondContact CE-OE2 3.39Å; M545-E547 HydrophobicContact CG-CB 4.32Å; E547-R565 WeakPolarHBondContact O-CD 3.41Å; E547-R565 WeakPolarHBondContact O-CG 3.49Å; E547-I569 WeakPolarHBondContact O-CG2 3.24Å | ||
| 548 | I | 89 | Confident | 79.2 | Confident | 68 Ų | 68 | 97.1 Ų | 97.1 | 35% | 0.349 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -83.2 | -41.2 | -178.7 | -57.6 | 178.9 | 0 | 0 | 0 | 110.7 | R565 S573 H576 | I548-R565 PolarHBondContact O-NH1 3.09Å; I548-S573 PolarHBondContact O-OG 2.84Å; I548-S573 VanDerWaalsContact O-OG 3.1Å; I548-H576 HydrophobicContact CG2-CB 3.83Å |
| 549 | E | 90.7 | Very high | 80.6 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -96.7 | 130.9 | 177 | -58.1 | -171.4 | -173 | 0 | 0 | 109.7 | H576 K580 W589 | E549-H576 IonicContact OE1-CD2 3.43Å; E549-H576 IonicContact OE1-CE1 3.23Å; E549-H576 IonicContact OE1-NE2 2.66Å; E549-H576 PolarHBondContact OE1-NE2 3.01Å; E549-K580 IonicContact OE1-NZ 3.32Å; E549-W589 HydrophobicContact CG-CZ2 4.01Å; E549-W589 WeakPolarHBondContact OE2-CZ2 3.23Å | ||
| 550 | K | 89.9 | Confident | 82 | Confident | 22 Ų | 22 | 95 Ų | 95 | 10% | 0.096 | 47% | 0.469 | C | S | . | . | trans | -147.1 | 129.5 | -179.3 | 177 | -164 | 160.5 | 176.3 | 0 | 110.6 | M545 E563 Q593 S596 D600 | M545-K550 HydrophobicContact CE-CB 4.18Å; M545-K550 HydrophobicContact CE-CD 4.21Å; M545-K550 HydrophobicContact CE-CG 3.87Å; M545-K550 HydrophobicContact SD-CD 3.77Å; M545-K550 HydrophobicContact SD-CG 4.12Å; K550-E563 WeakPolarHBondContact CE-O 3.06Å; K550-E563 PolarHBondContact NZ-O 2.88Å; K550-Q593 PolarHBondContact O-OE1 3Å; K550-S596 WeakPolarHBondContact CB-OG 3.17Å; K550-S596 WeakPolarHBondContact CD-OG 2.89Å; K550-S596 WeakPolarHBondContact CG-OG 3.35Å; K550-S596 WeakPolarHBondContact O-CB 3.39Å; K550-S596 PolarHBondContact O-OG 3.3Å; K550-D600 IonicContact NZ-OD1 2.65Å; K550-D600 PolarHBondContact NZ-OD1 3.02Å; K550-D600 IonicContact NZ-OD2 2.67Å | ||
| 551 | Q | 87.6 | Confident | 83.1 | Confident | 153 Ų | 153 | 92.8 Ų | 92.8 | 72% | 0.715 | 46% | 0.464 | S | S | * | . | trans | -63.2 | 150.8 | 174.4 | -71.4 | -177.2 | -12.1 | 0 | 0 | 112.9 | L553 E592 S596 | Q551-L553 PolarHBondContact O-N 3Å; Q551-E592 WeakPolarHBondContact CA-OE1 3.46Å; Q551-E592 VanDerWaalsContact CB-OE1 3.27Å; Q551-E592 WeakPolarHBondContact CB-OE1 3.38Å; Q551-E592 WeakPolarHBondContact CG-OE1 3.45Å; Q551-S596 PolarHBondContact O-OG 3.29Å | ||
| 552 | Y | 88 | Confident | 84 | Confident | 117 Ų | 117 | 93.9 Ų | 93.9 | 46% | 0.459 | 47% | 0.474 | S | S | . | . | trans | -79 | 105.6 | 179.7 | 173.4 | -111 | 0 | 0 | 0 | 111.2 | E592 K595 Q599 | Y552-E592 PolarHBondContact N-OE1 2.77Å; Y552-K595 HydrophobicContact CD1-CB 4.44Å; Y552-K595 HydrophobicContact CD2-CB 3.68Å; Y552-K595 HydrophobicContact CE2-CB 4.18Å; Y552-K595 HydrophobicContact CG-CB 3.82Å; Y552-Q599 HydrophobicContact CD2-CB 4.24Å; Y552-Q599 HydrophobicContact CE2-CB 4.02Å | ||
| 553 | L | 83.6 | Confident | 84.5 | Confident | 71 Ų | 71 | 93.2 Ų | 93.2 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | trans | -83.9 | 130 | -173.1 | -176.5 | 59.9 | 0 | 0 | 0 | 111.9 | Q551 L555 E563 Q599 | Q551-L553 PolarHBondContact O-N 3Å; L553-L555 PolarHBondContact O-N 3.38Å; L553-L555 VanDerWaalsContact O-N 3.08Å; L553-E563 WeakPolarHBondContact CD2-OE2 3.31Å; L553-Q599 PolarHBondContact O-NE2 3.2Å; L553-Q599 PolarHBondContact O-OE1 3.36Å | ||
| 554 | R | 84.9 | Confident | 85 | Confident | 205 Ų | 205 | 93.1 Ų | 93.1 | 77% | 0.774 | 46% | 0.464 | S | S | * | . | trans | -74.4 | 100.5 | 166.9 | -173 | -176.1 | -178 | 91.2 | 4.6 | 109.4 | T556 | R554-T556 HydrophobicContact CG-CG2 4.49Å; R554-T556 PolarHBondContact O-N 3.07Å | ||
| 555 | L | 80.7 | Confident | 85.3 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | trans | -55.5 | 110.8 | 177 | -59.2 | 178.1 | 0 | 0 | 0 | 111.1 | L553 P559 V603 | L553-L555 PolarHBondContact O-N 3.38Å; L553-L555 VanDerWaalsContact O-N 3.08Å; L555-P559 HydrophobicContact CD2-CB 4.13Å; L555-V603 HydrophobicContact CD1-CG2 3.96Å | ||
| 556 | T | 82.5 | Confident | 85.6 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 74% | 0.742 | 44% | 0.442 | S | S | * | . | trans | -120.5 | 0.6 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | R554 | R554-T556 HydrophobicContact CG-CG2 4.49Å; R554-T556 PolarHBondContact O-N 3.07Å | ||
| 557 | R | 82.6 | Confident | 85.7 | Confident | 211 Ų | 211 | 84 Ų | 84 | 80% | 0.796 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -136.5 | 175 | 175.1 | -65.4 | -178.5 | 178.3 | 175 | -0.3 | 107.7 | ||
| 558 | A | 79.1 | Confident | 86 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 66% | 0.661 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 138.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | D560 | A558-D560 PolarHBondContact O-N 3.49Š|
| 559 | P | 77.1 | Confident | 86.2 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 125.1 | 175.4 | 27.9 | -31.1 | 0 | 0 | 0 | 109.5 | L555 V564 V603 | L555-P559 HydrophobicContact CD2-CB 4.13Å; P559-V564 HydrophobicContact CB-CG2 4.15Å; P559-V603 HydrophobicContact CB-CG1 4.07Å; P559-V603 HydrophobicContact CG-CB 4.45Å; P559-V603 HydrophobicContact CG-CG1 3.44Å; P559-V603 VanDerWaalsContact CG-CG1 3.44Å; P559-V603 HydrophobicContact CG-CG2 4.1Å |
| 560 | D | 80.4 | Confident | 86.3 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 143.4 | 174.1 | -69.9 | -43.3 | 0 | 0 | 0 | 109.5 | A558 T562 E563 | A558-D560 PolarHBondContact O-N 3.49Å; D560-T562 PolarHBondContact O-N 3.42Å; D560-E563 HydrophobicContact CB-CG 4.41Å; D560-E563 WeakPolarHBondContact O-CB 3.34Å; D560-E563 PolarHBondContact O-N 3.48Å |
| 561 | P | 82.8 | Confident | 86.5 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -58.2 | -24.6 | -177.5 | -25.2 | 33.7 | 0 | 0 | 0 | 114 | I541 T544 E563 V564 | I541-P561 HydrophobicContact CG2-CB 4.37Å; I541-P561 HydrophobicContact CG2-CG 4.07Å; T544-P561 PolarHBondContact N-O 3.38Å; T544-P561 PolarHBondContact OG1-O 3.35Å; P561-E563 VanDerWaalsContact C-N 3.31Å; P561-V564 PolarHBondContact O-N 3.24Å |
| 562 | T | 84.7 | Confident | 86.9 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -72.8 | -18.3 | 175.2 | 47 | 0 | 0 | 0 | 0 | 113.9 | T544 M545 D560 | T544-T562 WeakPolarHBondContact OG1-CA 3.27Å; T544-T562 PolarHBondContact OG1-N 3.2Å; M545-T562 WeakPolarHBondContact CB-O 3.26Å; D560-T562 PolarHBondContact O-N 3.42Å |
| 563 | E | 85.5 | Confident | 87.2 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -87.7 | -6.5 | 174 | -62.4 | -170.7 | 147.9 | 0 | 0 | 112.8 | M545 K550 L553 D560 P561 | M545-E563 VanDerWaalsContact SD-O 3.39Å; K550-E563 WeakPolarHBondContact CE-O 3.06Å; K550-E563 PolarHBondContact NZ-O 2.88Å; L553-E563 WeakPolarHBondContact CD2-OE2 3.31Å; D560-E563 HydrophobicContact CB-CG 4.41Å; D560-E563 WeakPolarHBondContact O-CB 3.34Å; D560-E563 PolarHBondContact O-N 3.48Å; P561-E563 VanDerWaalsContact C-N 3.31Å |
| 564 | V | 89.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -115.1 | 133 | -170.7 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | G543 T544 M545 P559 P561 D600 V603 Q604 | G543-V564 CarbonylContact C-O 3.57Å; G543-V564 VanDerWaalsContact C-O 3.23Å; G543-V564 WeakPolarHBondContact CA-O 3.5Å; T544-V564 PolarHBondContact N-O 3.16Å; M545-V564 VanDerWaalsContact CB-C 3.49Å; M545-V564 WeakPolarHBondContact CB-O 3.38Å; M545-V564 PolarHBondContact N-O 3Å; P559-V564 HydrophobicContact CB-CG2 4.15Å; P561-V564 PolarHBondContact O-N 3.24Å; V564-D600 HydrophobicContact CG1-CB 4.14Å; V564-V603 HydrophobicContact CG1-CG1 4.47Å; V564-V603 HydrophobicContact CG2-CG1 3.93Å; V564-Q604 HydrophobicContact CG1-CG 3.7Å |
| 565 | R | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -83.2 | 131 | 177.4 | -67.6 | 171.1 | -64.6 | -160.6 | -14.7 | 111.4 | M545 E547 I548 I569 L570 S573 S596 D600 Q604 | M545-R565 HydrophobicContact CB-CG 4Å; M545-R565 HydrophobicContact CG-CG 4.12Å; M545-R565 HydrophobicContact SD-CG 4.13Å; E547-R565 WeakPolarHBondContact O-CD 3.41Å; E547-R565 WeakPolarHBondContact O-CG 3.49Å; I548-R565 PolarHBondContact O-NH1 3.09Å; R565-I569 HydrophobicContact CB-CB 4.25Å; R565-I569 HydrophobicContact CB-CG2 4.1Å; R565-I569 HydrophobicContact CG-CG2 3.97Å; R565-L570 HydrophobicContact CB-CD2 3.77Å; R565-L570 HydrophobicContact CB-CG 3.98Å; R565-L570 WeakPolarHBondContact O-CD1 3.3Å; R565-L570 WeakPolarHBondContact O-CG 3.21Å; R565-S573 PolarHBondContact NH1-OG 3.36Å; R565-S596 VanDerWaalsContact NH2-C 3.26Å; R565-S596 PolarHBondContact NH2-OG 3.12Å; R565-D600 IonicContact CZ-OD2 2.8Å; R565-D600 VanDerWaalsContact CZ-OD2 3.23Å; R565-D600 IonicContact NE-OD2 2.89Å; R565-D600 PolarHBondContact NE-OD2 3.09Å; R565-D600 IonicContact NH2-OD2 3.97Å; R565-D600 PolarHBondContact NH2-OD2 3.46Å; R565-Q604 PolarHBondContact O-NE2 2.89Å; R565-Q604 PolarHBondContact O-OE1 3Å | ||
| 566 | P | 92 | Very high | 88.8 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -69.2 | 162.1 | 173.2 | 24.6 | -26.8 | 0 | 0 | 0 | 112 | V542 G543 M545 A568 I569 L570 | V542-P566 HydrophobicContact CG1-CB 4.34Å; G543-P566 VanDerWaalsContact O-CB 3.24Å; G543-P566 WeakPolarHBondContact O-CB 3.13Å; G543-P566 WeakPolarHBondContact O-CD 3.49Å; G543-P566 WeakPolarHBondContact O-CG 3.42Å; M545-P566 WeakPolarHBondContact O-CD 3.41Å; P566-A568 PolarHBondContact O-N 2.81Å; P566-I569 HydrophobicContact CG-CB 4.39Å; P566-I569 HydrophobicContact CG-CG1 3.9Å; P566-I569 PolarHBondContact O-N 3.42Å; P566-L570 PolarHBondContact O-N 3.32Å | ||
| 567 | L | 91.7 | Very high | 89.4 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -49.3 | -35.6 | -177.8 | -177.2 | 59.5 | 0 | 0 | 0 | 114.7 | K571 I606 F610 | L567-K571 WeakPolarHBondContact O-CG 3.44Å; L567-K571 PolarHBondContact O-N 3.02Å; L567-I606 HydrophobicContact CB-CD1 4.41Å; L567-F610 HydrophobicContact CD1-CB 4.37Å; L567-F610 HydrophobicContact CD1-CD1 3.29Å; L567-F610 HydrophobicContact CD1-CE1 3.79Å; L567-F610 HydrophobicContact CD1-CG 3.96Å |
| 568 | A | 92.4 | Very high | 89.9 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 55% | 0.554 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P566 K571 L572 | P566-A568 PolarHBondContact O-N 2.81Å; A568-K571 PolarHBondContact O-N 2.71Å; A568-L572 PolarHBondContact O-N 3.23Å |
| 569 | I | 93.2 | Very high | 90.6 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.9 | -33.8 | 178.5 | -56.9 | -65.6 | 0 | 0 | 0 | 110.4 | E547 R565 P566 K571 L572 S573 | E547-I569 WeakPolarHBondContact O-CG2 3.24Å; R565-I569 HydrophobicContact CB-CB 4.25Å; R565-I569 HydrophobicContact CB-CG2 4.1Å; R565-I569 HydrophobicContact CG-CG2 3.97Å; P566-I569 HydrophobicContact CG-CB 4.39Å; P566-I569 HydrophobicContact CG-CG1 3.9Å; P566-I569 PolarHBondContact O-N 3.42Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.37Å; I569-L572 PolarHBondContact O-N 2.83Å; I569-S573 WeakPolarHBondContact O-CB 3.29Å; I569-S573 PolarHBondContact O-N 2.91Å; I569-S573 PolarHBondContact O-OG 3.39Å |
| 570 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 174.2 | -68.6 | 173.8 | 0 | 0 | 0 | 113 | R565 P566 S573 L574 I597 D600 L601 F610 | R565-L570 HydrophobicContact CB-CD2 3.77Å; R565-L570 HydrophobicContact CB-CG 3.98Å; R565-L570 WeakPolarHBondContact O-CD1 3.3Å; R565-L570 WeakPolarHBondContact O-CG 3.21Å; P566-L570 PolarHBondContact O-N 3.32Å; L570-S573 WeakPolarHBondContact O-CB 2.95Å; L570-S573 PolarHBondContact O-N 3.19Å; L570-L574 PolarHBondContact O-N 2.92Å; L570-I597 HydrophobicContact CD2-CB 4.38Å; L570-I597 HydrophobicContact CD2-CG1 4.39Å; L570-I597 HydrophobicContact CD2-CG2 3.98Å; L570-D600 HydrophobicContact CD1-CB 4.18Å; L570-D600 HydrophobicContact CD2-CB 3.73Å; L570-L601 HydrophobicContact CD1-CD2 3.91Å; L570-L601 HydrophobicContact CD1-CG 4.19Å; L570-F610 HydrophobicContact CB-CE1 3.88Å; L570-F610 HydrophobicContact CB-CZ 4.13Å |
| 571 | K | 94.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -51.3 | 173.6 | -74.7 | 170.2 | -179.6 | -179.4 | 0 | 111.3 | L567 A568 I569 S573 L574 E575 F610 | L567-K571 WeakPolarHBondContact O-CG 3.44Å; L567-K571 PolarHBondContact O-N 3.02Å; A568-K571 PolarHBondContact O-N 2.71Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.37Å; K571-S573 VanDerWaalsContact C-N 3.29Å; K571-S573 PolarHBondContact O-N 3.43Å; K571-L574 PolarHBondContact O-N 2.76Å; K571-E575 PolarHBondContact O-N 3.31Å; K571-E575 VanDerWaalsContact O-N 3.09Å; K571-F610 HydrophobicContact CB-CE2 4.28Å; K571-F610 HydrophobicContact CB-CZ 4.47Å; K571-F610 HydrophobicContact CG-CD2 3.84Å; K571-F610 HydrophobicContact CG-CE1 4.43Å; K571-F610 HydrophobicContact CG-CE2 3.5Å; K571-F610 HydrophobicContact CG-CG 4.44Å; K571-F610 HydrophobicContact CG-CZ 3.83Å |
| 572 | L | 94.6 | Very high | 92.3 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 174.9 | -61.3 | 174.6 | 0 | 0 | 0 | 111.9 | A568 I569 E575 H576 | A568-L572 PolarHBondContact O-N 3.23Å; I569-L572 PolarHBondContact O-N 2.83Å; L572-E575 PolarHBondContact O-N 3.28Å; L572-H576 WeakPolarHBondContact O-CB 3.49Å; L572-H576 PolarHBondContact O-N 2.98Å |
| 573 | S | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 112 | I548 R565 I569 L570 K571 V577 | I548-S573 PolarHBondContact O-OG 2.84Å; I548-S573 VanDerWaalsContact O-OG 3.1Å; R565-S573 PolarHBondContact NH1-OG 3.36Å; I569-S573 WeakPolarHBondContact O-CB 3.29Å; I569-S573 PolarHBondContact O-N 2.91Å; I569-S573 PolarHBondContact O-OG 3.39Å; L570-S573 WeakPolarHBondContact O-CB 2.95Å; L570-S573 PolarHBondContact O-N 3.19Å; K571-S573 VanDerWaalsContact C-N 3.29Å; K571-S573 PolarHBondContact O-N 3.43Å; S573-V577 WeakPolarHBondContact O-CB 3.42Å; S573-V577 WeakPolarHBondContact O-CG2 3.33Å; S573-V577 PolarHBondContact O-N 3.19Å |
| 574 | L | 94.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.6 | 169.2 | 140.4 | 0 | 0 | 0 | 112 | L570 K571 K578 F610 V614 A617 | L570-L574 PolarHBondContact O-N 2.92Å; K571-L574 PolarHBondContact O-N 2.76Å; L574-K578 HydrophobicContact CD1-CD 4.42Å; L574-K578 HydrophobicContact CD2-CD 3.58Å; L574-K578 HydrophobicContact CG-CD 3.71Å; L574-K578 WeakPolarHBondContact O-CB 3.48Å; L574-K578 WeakPolarHBondContact O-CD 3.32Å; L574-K578 WeakPolarHBondContact O-CG 3.27Å; L574-K578 PolarHBondContact O-N 2.77Å; L574-F610 HydrophobicContact CB-CZ 4.43Å; L574-F610 HydrophobicContact CD1-CE2 4.33Å; L574-V614 HydrophobicContact CD1-CB 4.12Å; L574-V614 HydrophobicContact CD1-CG2 3.55Å; L574-A617 HydrophobicContact CD1-CB 4.34Å |
| 575 | E | 95.3 | Very high | 91.7 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68 | -47.6 | 179.7 | -70 | 178.3 | 164.8 | 0 | 0 | 111.4 | K571 L572 V577 K578 E579 | K571-E575 PolarHBondContact O-N 3.31Å; K571-E575 VanDerWaalsContact O-N 3.09Å; L572-E575 PolarHBondContact O-N 3.28Å; E575-V577 PolarHBondContact O-N 3.5Å; E575-K578 PolarHBondContact O-N 2.77Å; E575-E579 PolarHBondContact O-N 2.71Å |
| 576 | H | 93.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 174.2 | -178.1 | 73 | 0 | 0 | 0 | 112.6 | I548 E549 L572 K578 E579 K580 | I548-H576 HydrophobicContact CG2-CB 3.83Å; E549-H576 IonicContact OE1-CD2 3.43Å; E549-H576 IonicContact OE1-CE1 3.23Å; E549-H576 IonicContact OE1-NE2 2.66Å; E549-H576 PolarHBondContact OE1-NE2 3.01Å; L572-H576 WeakPolarHBondContact O-CB 3.49Å; L572-H576 PolarHBondContact O-N 2.98Å; H576-K578 VanDerWaalsContact C-N 3.34Å; H576-K578 PolarHBondContact O-N 3.38Å; H576-E579 PolarHBondContact O-N 2.91Å; H576-K580 VanDerWaalsContact CE1-CE 3.41Å; H576-K580 WeakPolarHBondContact CE1-CE 3.46Å; H576-K580 WeakPolarHBondContact O-CB 3.34Å; H576-K580 WeakPolarHBondContact O-CG 3.37Å; H576-K580 PolarHBondContact O-N 3.44Å |
| 577 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | S573 E575 W581 W589 V590 Q593 F594 I597 | S573-V577 WeakPolarHBondContact O-CB 3.42Å; S573-V577 WeakPolarHBondContact O-CG2 3.33Å; S573-V577 PolarHBondContact O-N 3.19Å; E575-V577 PolarHBondContact O-N 3.5Å; V577-W581 PolarHBondContact O-N 3.37Å; V577-W589 HydrophobicContact CG2-CH2 4.27Å; V577-W589 HydrophobicContact CG2-CZ3 4.48Å; V577-V590 HydrophobicContact CG1-CG1 3.92Å; V577-Q593 HydrophobicContact CG1-CB 4.33Å; V577-Q593 HydrophobicContact CG2-CB 3.57Å; V577-Q593 HydrophobicContact CG2-CG 4.17Å; V577-F594 HydrophobicContact CG1-CD1 4.3Å; V577-F594 HydrophobicContact CG1-CD2 3.87Å; V577-F594 HydrophobicContact CG1-CE1 4.03Å; V577-F594 HydrophobicContact CG1-CE2 3.55Å; V577-F594 HydrophobicContact CG1-CG 4.23Å; V577-F594 HydrophobicContact CG1-CZ 3.64Å; V577-I597 HydrophobicContact CG2-CD1 4.28Å |
| 578 | K | 93.7 | Very high | 91.7 | Very high | 73 Ų | 73 | 74.1 Ų | 74.1 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.8 | -31.2 | 175.2 | -73.7 | 164.1 | 69.5 | 179.6 | 0 | 112.7 | L574 E575 H576 R582 F594 A617 | L574-K578 HydrophobicContact CD1-CD 4.42Å; L574-K578 HydrophobicContact CD2-CD 3.58Å; L574-K578 HydrophobicContact CG-CD 3.71Å; L574-K578 WeakPolarHBondContact O-CB 3.48Å; L574-K578 WeakPolarHBondContact O-CD 3.32Å; L574-K578 WeakPolarHBondContact O-CG 3.27Å; L574-K578 PolarHBondContact O-N 2.77Å; E575-K578 PolarHBondContact O-N 2.77Å; H576-K578 VanDerWaalsContact C-N 3.34Å; H576-K578 PolarHBondContact O-N 3.38Å; K578-R582 WeakPolarHBondContact O-CG 3.33Å; K578-R582 PolarHBondContact O-N 2.84Å; K578-F594 HydrophobicContact CG-CZ 4.24Å; K578-A617 HydrophobicContact CD-CB 4.09Å |
| 579 | E | 93.6 | Very high | 91.8 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.8 | -47.2 | 170.7 | -177 | 164.2 | -131.5 | 0 | 0 | 111.5 | E575 H576 W581 R582 S583 | E575-E579 PolarHBondContact O-N 2.71Å; H576-E579 PolarHBondContact O-N 2.91Å; E579-W581 VanDerWaalsContact C-N 3.27Å; E579-W581 PolarHBondContact O-N 3.07Å; E579-R582 CarbonylContact O-C 3.51Å; E579-R582 WeakPolarHBondContact O-CA 3.26Å; E579-R582 WeakPolarHBondContact O-CB 3.45Å; E579-R582 PolarHBondContact O-N 3.01Å; E579-S583 PolarHBondContact O-N 3.2Å |
| 580 | K | 91.7 | Very high | 91.9 | Very high | 68 Ų | 68 | 72.4 Ų | 72.4 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -35.9 | 175 | -69.9 | -90.2 | -175.6 | 156.1 | 0 | 113.1 | E549 H576 S583 T585 W589 | E549-K580 IonicContact OE1-NZ 3.32Å; H576-K580 VanDerWaalsContact CE1-CE 3.41Å; H576-K580 WeakPolarHBondContact CE1-CE 3.46Å; H576-K580 WeakPolarHBondContact O-CB 3.34Å; H576-K580 WeakPolarHBondContact O-CG 3.37Å; H576-K580 PolarHBondContact O-N 3.44Å; K580-S583 WeakPolarHBondContact CA-OG 3.42Å; K580-S583 PolarHBondContact O-N 2.95Å; K580-S583 PolarHBondContact O-OG 3.49Å; K580-T585 WeakPolarHBondContact O-CB 3.24Å; K580-T585 PolarHBondContact O-N 2.73Å; K580-T585 PolarHBondContact O-OG1 3.03Å; K580-W589 HydrophobicContact CB-CH2 4Å; K580-W589 HydrophobicContact CB-CZ3 3.56Å; K580-W589 HydrophobicContact CD-CH2 4.09Å; K580-W589 HydrophobicContact CD-CZ3 4.27Å; K580-W589 HydrophobicContact CG-CH2 3.75Å; K580-W589 HydrophobicContact CG-CZ3 3.86Å |
| 581 | W | 92.9 | Very high | 91.9 | Very high | 53 Ų | 53 | 72.7 Ų | 72.7 | 20% | 0.201 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.3 | -178 | -118.2 | 0 | 0 | 0 | 112 | V577 E579 S583 N584 Y587 V590 V621 E624 A625 | V577-W581 PolarHBondContact O-N 3.37Å; E579-W581 VanDerWaalsContact C-N 3.27Å; E579-W581 PolarHBondContact O-N 3.07Å; W581-S583 VanDerWaalsContact C-N 3.25Å; W581-S583 PolarHBondContact O-N 3.46Å; W581-N584 PolarHBondContact O-N 3.31Å; W581-Y587 HydrophobicContact CH2-CD2 4.19Å; W581-Y587 HydrophobicContact CZ3-CD2 4.12Å; W581-V590 HydrophobicContact CB-CG1 4.36Å; W581-V590 HydrophobicContact CE3-CB 4.4Å; W581-V590 HydrophobicContact CE3-CG1 4.27Å; W581-V590 HydrophobicContact CE3-CG2 4.08Å; W581-V621 HydrophobicContact CD2-CG1 3.83Å; W581-V621 HydrophobicContact CD2-CG2 4.3Å; W581-V621 HydrophobicContact CE3-CG1 4.15Å; W581-V621 HydrophobicContact CG-CG1 4.29Å; W581-V621 HydrophobicContact CG-CG2 3.94Å; W581-V621 HydrophobicContact CH2-CG1 4.31Å; W581-V621 HydrophobicContact CZ2-CG1 4.02Å; W581-V621 HydrophobicContact CZ3-CG1 4.38Å; W581-E624 HydrophobicContact CZ2-CB 3.93Å; W581-E624 PolarHBondContact NE1-OE2 3.49Å; W581-A625 HydrophobicContact CH2-CB 4.19Å |
| 582 | R | 90.5 | Very high | 91.9 | Very high | 183 Ų | 183 | 71.2 Ų | 71.2 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.3 | -29.2 | 175.7 | -67.2 | 166.4 | -177.4 | 146.5 | -7.5 | 113.1 | K578 E579 N584 | K578-R582 WeakPolarHBondContact O-CG 3.33Å; K578-R582 PolarHBondContact O-N 2.84Å; E579-R582 CarbonylContact O-C 3.51Å; E579-R582 WeakPolarHBondContact O-CA 3.26Å; E579-R582 WeakPolarHBondContact O-CB 3.45Å; E579-R582 PolarHBondContact O-N 3.01Å; R582-N584 PolarHBondContact O-N 3.14Å |
| 583 | S | 90.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 67.4 Ų | 67.4 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 8.9 | 173.1 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | E579 K580 W581 T585 | E579-S583 PolarHBondContact O-N 3.2Å; K580-S583 WeakPolarHBondContact CA-OG 3.42Å; K580-S583 PolarHBondContact O-N 2.95Å; K580-S583 PolarHBondContact O-OG 3.49Å; W581-S583 VanDerWaalsContact C-N 3.25Å; W581-S583 PolarHBondContact O-N 3.46Å; S583-T585 PolarHBondContact OG-OG1 3.14Å |
| 584 | N | 80.8 | Confident | 91.9 | Very high | 150 Ų | 150 | 67.4 Ų | 67.4 | 80% | 0.802 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 42.6 | -177.9 | -57.2 | -71.6 | 0 | 0 | 0 | 114 | W581 R582 | W581-N584 PolarHBondContact O-N 3.31Å; R582-N584 PolarHBondContact O-N 3.14Å |
| 585 | T | 75.5 | Confident | 91.9 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | trans | -70 | 151.6 | 170.3 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | K580 S583 Y587 W589 V590 | K580-T585 WeakPolarHBondContact O-CB 3.24Å; K580-T585 PolarHBondContact O-N 2.73Å; K580-T585 PolarHBondContact O-OG1 3.03Å; S583-T585 PolarHBondContact OG-OG1 3.14Å; T585-Y587 PolarHBondContact O-N 3.29Å; T585-W589 HydrophobicContact CG2-CD2 4.21Å; T585-W589 HydrophobicContact CG2-CE3 3.7Å; T585-W589 HydrophobicContact CG2-CZ3 4.28Å; T585-V590 HydrophobicContact CG2-CG2 4.49Å | ||
| 586 | D | 91.6 | Very high | 91.9 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 68% | 0.684 | 30% | 0.3 | S | S | * | . | trans | -46.9 | 124.6 | 178.5 | -72.9 | -47.3 | 0 | 0 | 0 | 113.8 | H588 W589 V590 | D586-H588 PolarHBondContact O-N 3.43Å; D586-H588 VanDerWaalsContact O-N 3.15Å; D586-W589 HydrophobicContact CB-CB 4.49Å; D586-W589 PolarHBondContact O-N 2.88Å; D586-W589 VanDerWaalsContact O-N 3.09Å; D586-V590 PolarHBondContact O-N 2.99Å; D586-V590 VanDerWaalsContact O-N 3.14Å | ||
| 587 | Y | 92 | Very high | 91.9 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.5 | -36.9 | 178.9 | 173 | -111.8 | 0 | 0 | 0 | 113 | W581 T585 W589 V590 C591 V621 A625 D627 | W581-Y587 HydrophobicContact CH2-CD2 4.19Å; W581-Y587 HydrophobicContact CZ3-CD2 4.12Å; T585-Y587 PolarHBondContact O-N 3.29Å; Y587-W589 PolarHBondContact O-N 3.26Å; Y587-V590 PolarHBondContact O-N 2.9Å; Y587-C591 HydrophobicContact CE1-CB 4.37Å; Y587-C591 HydrophobicContact CE2-CB 4.13Å; Y587-C591 VanDerWaalsContact O-CB 3.24Å; Y587-C591 WeakPolarHBondContact O-CB 3.21Å; Y587-C591 PolarHBondContact O-N 3.05Å; Y587-V621 HydrophobicContact CD2-CG1 4.2Å; Y587-V621 HydrophobicContact CE2-CG1 4.09Å; Y587-A625 HydrophobicContact CD1-CB 4.03Å; Y587-A625 HydrophobicContact CD2-CB 3.32Å; Y587-A625 HydrophobicContact CE1-CB 4.1Å; Y587-A625 HydrophobicContact CE2-CB 3.4Å; Y587-A625 VanDerWaalsContact CE2-CB 3.4Å; Y587-A625 HydrophobicContact CG-CB 3.66Å; Y587-D627 HydrophobicContact CE1-CB 4.21Å; Y587-D627 VanDerWaalsContact OH-CB 3.27Å; Y587-D627 WeakPolarHBondContact OH-CB 3.38Å |
| 588 | H | 92.8 | Very high | 91.9 | Very high | 151 Ų | 151 | 62.8 Ų | 62.8 | 70% | 0.699 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 179 | -71 | -53.9 | 0 | 0 | 0 | 112.6 | D586 E592 | D586-H588 PolarHBondContact O-N 3.43Å; D586-H588 VanDerWaalsContact O-N 3.15Å; H588-E592 WeakPolarHBondContact O-CB 3.42Å; H588-E592 PolarHBondContact O-N 2.85Å |
| 589 | W | 93.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.8 | 176.6 | 95.2 | 0 | 0 | 0 | 110.8 | E549 V577 K580 T585 D586 Y587 C591 E592 Q593 | E549-W589 HydrophobicContact CG-CZ2 4.01Å; E549-W589 WeakPolarHBondContact OE2-CZ2 3.23Å; V577-W589 HydrophobicContact CG2-CH2 4.27Å; V577-W589 HydrophobicContact CG2-CZ3 4.48Å; K580-W589 HydrophobicContact CB-CH2 4Å; K580-W589 HydrophobicContact CB-CZ3 3.56Å; K580-W589 HydrophobicContact CD-CH2 4.09Å; K580-W589 HydrophobicContact CD-CZ3 4.27Å; K580-W589 HydrophobicContact CG-CH2 3.75Å; K580-W589 HydrophobicContact CG-CZ3 3.86Å; T585-W589 HydrophobicContact CG2-CD2 4.21Å; T585-W589 HydrophobicContact CG2-CE3 3.7Å; T585-W589 HydrophobicContact CG2-CZ3 4.28Å; D586-W589 HydrophobicContact CB-CB 4.49Å; D586-W589 PolarHBondContact O-N 2.88Å; D586-W589 VanDerWaalsContact O-N 3.09Å; Y587-W589 PolarHBondContact O-N 3.26Å; W589-C591 PolarHBondContact O-N 3.45Å; W589-E592 PolarHBondContact O-N 3.29Å; W589-Q593 HydrophobicContact CD2-CG 3.98Å; W589-Q593 HydrophobicContact CE3-CG 4.22Å; W589-Q593 HydrophobicContact CH2-CG 3.9Å; W589-Q593 HydrophobicContact CZ2-CG 3.66Å; W589-Q593 HydrophobicContact CZ3-CG 4.17Å; W589-Q593 WeakPolarHBondContact O-CG 3.47Å; W589-Q593 PolarHBondContact O-N 3.44Å |
| 590 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 179 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | V577 W581 T585 D586 Y587 Q593 F594 V621 | V577-V590 HydrophobicContact CG1-CG1 3.92Å; W581-V590 HydrophobicContact CB-CG1 4.36Å; W581-V590 HydrophobicContact CE3-CB 4.4Å; W581-V590 HydrophobicContact CE3-CG1 4.27Å; W581-V590 HydrophobicContact CE3-CG2 4.08Å; T585-V590 HydrophobicContact CG2-CG2 4.49Å; D586-V590 PolarHBondContact O-N 2.99Å; D586-V590 VanDerWaalsContact O-N 3.14Å; Y587-V590 PolarHBondContact O-N 2.9Å; V590-Q593 PolarHBondContact O-N 3.41Å; V590-F594 HydrophobicContact CG1-CD2 3.77Å; V590-F594 HydrophobicContact CG1-CE2 3.56Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.41Å; V590-F594 PolarHBondContact O-N 3.18Å; V590-V621 HydrophobicContact CG1-CG1 3.86Å |
| 591 | C | 94.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -41 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | Y587 W589 F594 K595 | Y587-C591 HydrophobicContact CE1-CB 4.37Å; Y587-C591 HydrophobicContact CE2-CB 4.13Å; Y587-C591 VanDerWaalsContact O-CB 3.24Å; Y587-C591 WeakPolarHBondContact O-CB 3.21Å; Y587-C591 PolarHBondContact O-N 3.05Å; W589-C591 PolarHBondContact O-N 3.45Å; C591-F594 PolarHBondContact O-N 3.3Å; C591-K595 WeakPolarHBondContact O-CB 3.2Å; C591-K595 WeakPolarHBondContact O-CD 3.27Å; C591-K595 VanDerWaalsContact O-CG 3.27Å; C591-K595 WeakPolarHBondContact O-CG 3.3Å; C591-K595 PolarHBondContact O-N 2.86Å; C591-K595 WeakPolarHBondContact SG-CE 3.32Å; C591-K595 PolarHBondContact SG-NZ 3.37Å |
| 592 | E | 93.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.4 | -163.7 | -173.1 | 152.7 | 0 | 0 | 111.9 | Q551 Y552 H588 W589 F594 K595 S596 | Q551-E592 WeakPolarHBondContact CA-OE1 3.46Å; Q551-E592 VanDerWaalsContact CB-OE1 3.27Å; Q551-E592 WeakPolarHBondContact CB-OE1 3.38Å; Q551-E592 WeakPolarHBondContact CG-OE1 3.45Å; Y552-E592 PolarHBondContact N-OE1 2.77Å; H588-E592 WeakPolarHBondContact O-CB 3.42Å; H588-E592 PolarHBondContact O-N 2.85Å; W589-E592 PolarHBondContact O-N 3.29Å; E592-F594 PolarHBondContact O-N 2.9Å; E592-K595 WeakPolarHBondContact O-CB 3.43Å; E592-K595 PolarHBondContact O-N 3.48Å; E592-S596 WeakPolarHBondContact O-CB 3.33Å; E592-S596 PolarHBondContact O-N 3.25Å |
| 593 | Q | 95.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.5 | -65.6 | -64 | -22.6 | 0 | 0 | 111.6 | K550 V577 W589 V590 K595 S596 I597 | K550-Q593 PolarHBondContact O-OE1 3Å; V577-Q593 HydrophobicContact CG1-CB 4.33Å; V577-Q593 HydrophobicContact CG2-CB 3.57Å; V577-Q593 HydrophobicContact CG2-CG 4.17Å; W589-Q593 HydrophobicContact CD2-CG 3.98Å; W589-Q593 HydrophobicContact CE3-CG 4.22Å; W589-Q593 HydrophobicContact CH2-CG 3.9Å; W589-Q593 HydrophobicContact CZ2-CG 3.66Å; W589-Q593 HydrophobicContact CZ3-CG 4.17Å; W589-Q593 WeakPolarHBondContact O-CG 3.47Å; W589-Q593 PolarHBondContact O-N 3.44Å; V590-Q593 PolarHBondContact O-N 3.41Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 3.38Å; Q593-S596 WeakPolarHBondContact O-CB 3.22Å; Q593-S596 PolarHBondContact O-N 2.96Å; Q593-I597 VanDerWaalsContact O-CG1 3.31Å; Q593-I597 WeakPolarHBondContact O-CG1 3.17Å; Q593-I597 PolarHBondContact O-N 2.99Å |
| 594 | F | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -35 | 174.2 | -79.8 | -59.5 | 0 | 0 | 0 | 113.3 | V577 K578 V590 C591 E592 R598 A617 H618 V621 | V577-F594 HydrophobicContact CG1-CD1 4.3Å; V577-F594 HydrophobicContact CG1-CD2 3.87Å; V577-F594 HydrophobicContact CG1-CE1 4.03Å; V577-F594 HydrophobicContact CG1-CE2 3.55Å; V577-F594 HydrophobicContact CG1-CG 4.23Å; V577-F594 HydrophobicContact CG1-CZ 3.64Å; K578-F594 HydrophobicContact CG-CZ 4.24Å; V590-F594 HydrophobicContact CG1-CD2 3.77Å; V590-F594 HydrophobicContact CG1-CE2 3.56Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.41Å; V590-F594 PolarHBondContact O-N 3.18Å; C591-F594 PolarHBondContact O-N 3.3Å; E592-F594 PolarHBondContact O-N 2.9Å; F594-R598 WeakPolarHBondContact O-CB 3.49Å; F594-R598 VanDerWaalsContact O-CG 3.26Å; F594-R598 WeakPolarHBondContact O-CG 3.1Å; F594-R598 PolarHBondContact O-N 3.19Å; F594-A617 HydrophobicContact CE1-CB 4.02Å; F594-A617 HydrophobicContact CZ-CB 4.18Å; F594-H618 HydrophobicContact CB-CB 3.85Å; F594-H618 VanDerWaalsContact CB-CG 3.42Å; F594-H618 WeakPolarHBondContact CB-ND1 3.49Å; F594-H618 HydrophobicContact CD1-CB 3.92Å; F594-H618 HydrophobicContact CD2-CB 4.11Å; F594-H618 AromaticContact CD2-CD2 3.78Å; F594-H618 HydrophobicContact CE1-CB 4.48Å; F594-H618 HydrophobicContact CG-CB 3.73Å; F594-H618 AromaticContact CG-CD2 3.95Å; F594-H618 AromaticContact CG-CG 3.75Å; F594-V621 HydrophobicContact CE2-CB 4.17Å; F594-V621 HydrophobicContact CE2-CG1 4.35Å; F594-V621 HydrophobicContact CE2-CG2 3.91Å; F594-V621 HydrophobicContact CZ-CG2 4.34Å |
| 595 | K | 94.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 173 | -76.8 | 164.8 | 172.8 | 166.3 | 0 | 111.6 | Y552 C591 E592 Q593 R598 Q599 E630 | Y552-K595 HydrophobicContact CD1-CB 4.44Å; Y552-K595 HydrophobicContact CD2-CB 3.68Å; Y552-K595 HydrophobicContact CE2-CB 4.18Å; Y552-K595 HydrophobicContact CG-CB 3.82Å; C591-K595 WeakPolarHBondContact O-CB 3.2Å; C591-K595 WeakPolarHBondContact O-CD 3.27Å; C591-K595 VanDerWaalsContact O-CG 3.27Å; C591-K595 WeakPolarHBondContact O-CG 3.3Å; C591-K595 PolarHBondContact O-N 2.86Å; C591-K595 WeakPolarHBondContact SG-CE 3.32Å; C591-K595 PolarHBondContact SG-NZ 3.37Å; E592-K595 WeakPolarHBondContact O-CB 3.43Å; E592-K595 PolarHBondContact O-N 3.48Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 3.38Å; K595-R598 PolarHBondContact O-N 3.29Å; K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.48Å; K595-Q599 PolarHBondContact O-N 2.85Å; K595-E630 WeakPolarHBondContact CE-OE1 3.37Å; K595-E630 WeakPolarHBondContact CE-OE2 3.26Å; K595-E630 IonicContact NZ-OE1 2.69Å; K595-E630 PolarHBondContact NZ-OE1 2.89Å; K595-E630 IonicContact NZ-OE2 3.19Å |
| 596 | S | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | K550 Q551 R565 E592 Q593 Q599 D600 | K550-S596 WeakPolarHBondContact CB-OG 3.17Å; K550-S596 WeakPolarHBondContact CD-OG 2.89Å; K550-S596 WeakPolarHBondContact CG-OG 3.35Å; K550-S596 WeakPolarHBondContact O-CB 3.39Å; K550-S596 PolarHBondContact O-OG 3.3Å; Q551-S596 PolarHBondContact O-OG 3.29Å; R565-S596 VanDerWaalsContact NH2-C 3.26Å; R565-S596 PolarHBondContact NH2-OG 3.12Å; E592-S596 WeakPolarHBondContact O-CB 3.33Å; E592-S596 PolarHBondContact O-N 3.25Å; Q593-S596 WeakPolarHBondContact O-CB 3.22Å; Q593-S596 PolarHBondContact O-N 2.96Å; S596-Q599 WeakPolarHBondContact O-CB 3.24Å; S596-Q599 PolarHBondContact O-N 3.48Å; S596-D600 VanDerWaalsContact O-CG 3.32Å; S596-D600 PolarHBondContact O-N 3Å |
| 597 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 175.9 | -63.8 | 166.6 | 0 | 0 | 0 | 111.1 | L570 V577 Q593 Q599 D600 L601 V614 | L570-I597 HydrophobicContact CD2-CB 4.38Å; L570-I597 HydrophobicContact CD2-CG1 4.39Å; L570-I597 HydrophobicContact CD2-CG2 3.98Å; V577-I597 HydrophobicContact CG2-CD1 4.28Å; Q593-I597 VanDerWaalsContact O-CG1 3.31Å; Q593-I597 WeakPolarHBondContact O-CG1 3.17Å; Q593-I597 PolarHBondContact O-N 2.99Å; I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.03Å; I597-D600 PolarHBondContact O-N 3.22Å; I597-L601 PolarHBondContact O-N 3.1Å; I597-L601 VanDerWaalsContact O-N 3.09Å; I597-V614 HydrophobicContact CB-CG1 4.34Å; I597-V614 HydrophobicContact CG2-CB 4.47Å; I597-V614 HydrophobicContact CG2-CG1 3.61Å; I597-V614 HydrophobicContact CG2-CG2 3.93Å |
| 598 | R | 94.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 175.4 | -76.7 | 169.3 | 54.1 | -158.6 | -13.3 | 112.2 | F594 K595 T602 V614 Y615 H618 E630 C634 | F594-R598 WeakPolarHBondContact O-CB 3.49Å; F594-R598 VanDerWaalsContact O-CG 3.26Å; F594-R598 WeakPolarHBondContact O-CG 3.1Å; F594-R598 PolarHBondContact O-N 3.19Å; K595-R598 PolarHBondContact O-N 3.29Å; R598-T602 WeakPolarHBondContact O-CB 3.2Å; R598-T602 PolarHBondContact O-N 3.48Å; R598-T602 VanDerWaalsContact O-N 3.08Å; R598-T602 PolarHBondContact O-OG1 2.83Å; R598-V614 HydrophobicContact CG-CG1 3.97Å; R598-Y615 HydrophobicContact CB-CE1 4.47Å; R598-Y615 HydrophobicContact CG-CD1 4.23Å; R598-Y615 HydrophobicContact CG-CE1 3.84Å; R598-Y615 HydrophobicContact CG-CE2 4.42Å; R598-H618 WeakPolarHBondContact CD-ND1 3.49Å; R598-H618 PolarHBondContact NH1-CE1 3.09Å; R598-H618 PolarHBondContact NH1-ND1 3.13Å; R598-E630 IonicContact NH1-OE2 2.78Å; R598-E630 PolarHBondContact NH1-OE2 2.99Å; R598-C634 PolarHBondContact NH1-SG 3.06Å |
| 599 | Q | 92.7 | Very high | 91.7 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | 174.8 | 161.8 | 168.4 | 79 | 0 | 0 | 111.7 | Y552 L553 K595 S596 I597 L601 T602 V603 | Y552-Q599 HydrophobicContact CD2-CB 4.24Å; Y552-Q599 HydrophobicContact CE2-CB 4.02Å; L553-Q599 PolarHBondContact O-NE2 3.2Å; L553-Q599 PolarHBondContact O-OE1 3.36Å; K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.48Å; K595-Q599 PolarHBondContact O-N 2.85Å; S596-Q599 WeakPolarHBondContact O-CB 3.24Å; S596-Q599 PolarHBondContact O-N 3.48Å; I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.03Å; Q599-L601 VanDerWaalsContact C-N 3.29Å; Q599-L601 PolarHBondContact O-N 3.37Å; Q599-T602 PolarHBondContact O-N 3.08Å; Q599-V603 HydrophobicContact CG-CG2 4.4Å; Q599-V603 WeakPolarHBondContact O-CG2 3.48Å; Q599-V603 PolarHBondContact O-N 3.11Å |
| 600 | D | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 179.5 | -66.7 | -25 | 0 | 0 | 0 | 111.7 | K550 V564 R565 L570 S596 I597 Q604 | K550-D600 IonicContact NZ-OD1 2.65Å; K550-D600 PolarHBondContact NZ-OD1 3.02Å; K550-D600 IonicContact NZ-OD2 2.67Å; V564-D600 HydrophobicContact CG1-CB 4.14Å; R565-D600 IonicContact CZ-OD2 2.8Å; R565-D600 VanDerWaalsContact CZ-OD2 3.23Å; R565-D600 IonicContact NE-OD2 2.89Å; R565-D600 PolarHBondContact NE-OD2 3.09Å; R565-D600 IonicContact NH2-OD2 3.97Å; R565-D600 PolarHBondContact NH2-OD2 3.46Å; L570-D600 HydrophobicContact CD1-CB 4.18Å; L570-D600 HydrophobicContact CD2-CB 3.73Å; S596-D600 VanDerWaalsContact O-CG 3.32Å; S596-D600 PolarHBondContact O-N 3Å; I597-D600 PolarHBondContact O-N 3.22Å; D600-Q604 WeakPolarHBondContact O-CB 3.26Å; D600-Q604 WeakPolarHBondContact O-CG 3.4Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 VanDerWaalsContact O-N 3.12Å; D600-Q604 PolarHBondContact O-NE2 3.35Å |
| 601 | L | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 171.4 | -72.3 | 172 | 0 | 0 | 0 | 112.5 | L570 I597 Q599 V603 Q604 G605 I606 F610 A611 V614 | L570-L601 HydrophobicContact CD1-CD2 3.91Å; L570-L601 HydrophobicContact CD1-CG 4.19Å; I597-L601 PolarHBondContact O-N 3.1Å; I597-L601 VanDerWaalsContact O-N 3.09Å; Q599-L601 VanDerWaalsContact C-N 3.29Å; Q599-L601 PolarHBondContact O-N 3.37Å; L601-V603 PolarHBondContact O-N 3.3Å; L601-Q604 PolarHBondContact O-N 2.76Å; L601-G605 PolarHBondContact O-N 3.41Å; L601-G605 VanDerWaalsContact O-N 3.1Å; L601-I606 HydrophobicContact CD2-CB 3.84Å; L601-I606 HydrophobicContact CD2-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CG2 3.78Å; L601-I606 PolarHBondContact O-N 2.88Å; L601-F610 HydrophobicContact CD2-CD1 4.06Å; L601-F610 HydrophobicContact CD2-CE1 4.09Å; L601-A611 HydrophobicContact CD1-CB 3.92Å; L601-A611 HydrophobicContact CD2-CB 4.4Å; L601-V614 HydrophobicContact CD1-CB 3.99Å; L601-V614 HydrophobicContact CD1-CG1 4.22Å; L601-V614 HydrophobicContact CD1-CG2 3.83Å |
| 602 | T | 90.3 | Very high | 91.5 | Very high | 96 Ų | 96 | 31.6 Ų | 31.6 | 59% | 0.589 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.4 | -35.7 | -178.6 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | R598 Q599 G605 | R598-T602 WeakPolarHBondContact O-CB 3.2Å; R598-T602 PolarHBondContact O-N 3.48Å; R598-T602 VanDerWaalsContact O-N 3.08Å; R598-T602 PolarHBondContact O-OG1 2.83Å; Q599-T602 PolarHBondContact O-N 3.08Å; T602-G605 PolarHBondContact O-N 2.97Å |
| 603 | V | 88.8 | Confident | 91.5 | Very high | 35 Ų | 35 | 30.5 Ų | 30.5 | 21% | 0.212 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 175.8 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | L555 P559 V564 Q599 L601 G605 | L555-V603 HydrophobicContact CD1-CG2 3.96Å; P559-V603 HydrophobicContact CB-CG1 4.07Å; P559-V603 HydrophobicContact CG-CB 4.45Å; P559-V603 HydrophobicContact CG-CG1 3.44Å; P559-V603 VanDerWaalsContact CG-CG1 3.44Å; P559-V603 HydrophobicContact CG-CG2 4.1Å; V564-V603 HydrophobicContact CG1-CG1 4.47Å; V564-V603 HydrophobicContact CG2-CG1 3.93Å; Q599-V603 HydrophobicContact CG-CG2 4.4Å; Q599-V603 WeakPolarHBondContact O-CG2 3.48Å; Q599-V603 PolarHBondContact O-N 3.11Å; L601-V603 PolarHBondContact O-N 3.3Å; V603-G605 VanDerWaalsContact C-N 3.26Å; V603-G605 PolarHBondContact O-N 2.98Å |
| 604 | Q | 87.9 | Confident | 91.5 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.3 | 178.9 | -63.4 | 175.2 | 97.6 | 0 | 0 | 113.2 | Q540 I541 G543 V564 R565 D600 L601 I606 | Q540-Q604 WeakPolarHBondContact CG-O 3.26Å; Q540-Q604 PolarHBondContact NE2-O 3.01Å; I541-Q604 WeakPolarHBondContact O-CG 3.36Å; G543-Q604 VanDerWaalsContact N-OE1 3.16Å; V564-Q604 HydrophobicContact CG1-CG 3.7Å; R565-Q604 PolarHBondContact O-NE2 2.89Å; R565-Q604 PolarHBondContact O-OE1 3Å; D600-Q604 WeakPolarHBondContact O-CB 3.26Å; D600-Q604 WeakPolarHBondContact O-CG 3.4Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 VanDerWaalsContact O-N 3.12Å; D600-Q604 PolarHBondContact O-NE2 3.35Å; L601-Q604 PolarHBondContact O-N 2.76Å; Q604-I606 HydrophobicContact CB-CD1 3.6Å; Q604-I606 HydrophobicContact CB-CG1 3.69Å; Q604-I606 HydrophobicContact CG-CD1 4.35Å; Q604-I606 PolarHBondContact O-N 3.3Å |
| 605 | G | 86.4 | Confident | 91.5 | Very high | 50 Ų | 50 | 30.8 Ų | 30.8 | 52% | 0.515 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 22.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L601 T602 V603 E607 | L601-G605 PolarHBondContact O-N 3.41Å; L601-G605 VanDerWaalsContact O-N 3.1Å; T602-G605 PolarHBondContact O-N 2.97Å; V603-G605 VanDerWaalsContact C-N 3.26Å; V603-G605 PolarHBondContact O-N 2.98Å; G605-E607 PolarHBondContact O-N 2.88Å |
| 606 | I | 86.4 | Confident | 91.5 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | trans | -82.9 | 107.7 | -174.9 | -63 | 170.2 | 0 | 0 | 0 | 109.3 | L567 L601 Q604 D608 A611 | L567-I606 HydrophobicContact CB-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CB 3.84Å; L601-I606 HydrophobicContact CD2-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CG2 3.78Å; L601-I606 PolarHBondContact O-N 2.88Å; Q604-I606 HydrophobicContact CB-CD1 3.6Å; Q604-I606 HydrophobicContact CB-CG1 3.69Å; Q604-I606 HydrophobicContact CG-CD1 4.35Å; Q604-I606 PolarHBondContact O-N 3.3Å; I606-D608 HydrophobicContact CG2-CB 4.24Å; I606-D608 WeakPolarHBondContact CG2-OD2 3.46Å; I606-A611 WeakPolarHBondContact O-CB 3.4Å | ||
| 607 | E | 86.4 | Confident | 91.5 | Very high | 68 Ų | 68 | 29.8 Ų | 29.8 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | trans | -118.2 | 47.3 | 178.9 | -60.6 | -166 | 125.1 | 0 | 0 | 110.8 | G605 Q637 R640 L641 L646 | G605-E607 PolarHBondContact O-N 2.88Å; E607-Q637 PolarHBondContact OE1-NE2 3.18Å; E607-R640 IonicContact OE1-CZ 2.99Å; E607-R640 VanDerWaalsContact OE1-CZ 3.23Å; E607-R640 IonicContact OE1-NH1 3.23Å; E607-R640 PolarHBondContact OE1-NH1 3.08Å; E607-R640 IonicContact OE1-NH2 3.86Å; E607-R640 PolarHBondContact OE1-NH2 3.32Å; E607-R640 IonicContact OE2-CZ 3.29Å; E607-R640 VanDerWaalsContact OE2-CZ 3.32Å; E607-R640 IonicContact OE2-NH1 3.85Å; E607-R640 PolarHBondContact OE2-NH1 3.17Å; E607-R640 IonicContact OE2-NH2 3.34Å; E607-R640 PolarHBondContact OE2-NH2 2.94Å; E607-L641 HydrophobicContact CB-CD2 3.84Å; E607-L641 HydrophobicContact CG-CD2 4.22Å; E607-L646 WeakPolarHBondContact O-CD1 3.31Å | ||
| 608 | D | 88 | Confident | 91.5 | Very high | 80 Ų | 80 | 29.8 Ų | 29.8 | 43% | 0.428 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -83.1 | 171.9 | 176.4 | -64.2 | -28.6 | 0 | 0 | 0 | 113.3 | I606 F610 A611 V612 | I606-D608 HydrophobicContact CG2-CB 4.24Å; I606-D608 WeakPolarHBondContact CG2-OD2 3.46Å; D608-F610 HydrophobicContact CB-CB 4.42Å; D608-F610 PolarHBondContact O-N 3.06Å; D608-F610 VanDerWaalsContact O-N 3.16Å; D608-A611 WeakPolarHBondContact O-CA 3.41Å; D608-A611 VanDerWaalsContact O-CB 3.3Å; D608-A611 WeakPolarHBondContact O-CB 3.33Å; D608-A611 PolarHBondContact O-N 3.48Å; D608-V612 PolarHBondContact O-N 2.86Å; D608-V612 VanDerWaalsContact O-N 3.16Å |
| 609 | D | 90.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 28.3 Ų | 28.3 | 54% | 0.535 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.4 | -27.2 | 164.1 | -82.5 | -39.3 | 0 | 0 | 0 | 112.9 | V612 S613 G647 | D609-V612 WeakPolarHBondContact O-CB 3.16Å; D609-V612 PolarHBondContact O-N 3.3Å; D609-S613 PolarHBondContact O-N 3.23Å; D609-G647 PolarHBondContact OD1-N 3.19Å |
| 610 | F | 92.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 170.2 | 175 | -106.8 | 0 | 0 | 0 | 111.5 | L567 L570 K571 L574 L601 D608 V612 S613 V614 | L567-F610 HydrophobicContact CD1-CB 4.37Å; L567-F610 HydrophobicContact CD1-CD1 3.29Å; L567-F610 HydrophobicContact CD1-CE1 3.79Å; L567-F610 HydrophobicContact CD1-CG 3.96Å; L570-F610 HydrophobicContact CB-CE1 3.88Å; L570-F610 HydrophobicContact CB-CZ 4.13Å; K571-F610 HydrophobicContact CB-CE2 4.28Å; K571-F610 HydrophobicContact CB-CZ 4.47Å; K571-F610 HydrophobicContact CG-CD2 3.84Å; K571-F610 HydrophobicContact CG-CE1 4.43Å; K571-F610 HydrophobicContact CG-CE2 3.5Å; K571-F610 HydrophobicContact CG-CG 4.44Å; K571-F610 HydrophobicContact CG-CZ 3.83Å; L574-F610 HydrophobicContact CB-CZ 4.43Å; L574-F610 HydrophobicContact CD1-CE2 4.33Å; L601-F610 HydrophobicContact CD2-CD1 4.06Å; L601-F610 HydrophobicContact CD2-CE1 4.09Å; D608-F610 HydrophobicContact CB-CB 4.42Å; D608-F610 PolarHBondContact O-N 3.06Å; D608-F610 VanDerWaalsContact O-N 3.16Å; F610-V612 VanDerWaalsContact C-N 3.33Å; F610-V612 PolarHBondContact O-N 3.33Å; F610-S613 WeakPolarHBondContact O-CB 3.34Å; F610-S613 PolarHBondContact O-N 3.4Å; F610-S613 VanDerWaalsContact O-N 3.09Å; F610-S613 PolarHBondContact O-OG 2.95Å; F610-V614 HydrophobicContact CD1-CG2 4.36Å; F610-V614 HydrophobicContact CE1-CG2 3.76Å; F610-V614 HydrophobicContact CE2-CG2 4.07Å; F610-V614 HydrophobicContact CZ-CG2 3.59Å; F610-V614 PolarHBondContact O-N 2.83Å; F610-V614 VanDerWaalsContact O-N 3.08Å |
| 611 | A | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L601 I606 D608 S613 V614 Y615 | L601-A611 HydrophobicContact CD1-CB 3.92Å; L601-A611 HydrophobicContact CD2-CB 4.4Å; I606-A611 WeakPolarHBondContact O-CB 3.4Å; D608-A611 WeakPolarHBondContact O-CA 3.41Å; D608-A611 VanDerWaalsContact O-CB 3.3Å; D608-A611 WeakPolarHBondContact O-CB 3.33Å; D608-A611 PolarHBondContact O-N 3.48Å; A611-S613 VanDerWaalsContact C-N 3.3Å; A611-S613 PolarHBondContact O-N 2.71Å; A611-V614 WeakPolarHBondContact O-CB 3.31Å; A611-V614 PolarHBondContact O-N 2.82Å; A611-V614 VanDerWaalsContact O-N 3.11Å; A611-Y615 WeakPolarHBondContact O-CD2 3.48Å; A611-Y615 PolarHBondContact O-N 3.27Å |
| 612 | V | 93.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.8 | -50.9 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | D608 D609 F610 V614 Y615 E616 L638 L641 L646 | D608-V612 PolarHBondContact O-N 2.86Å; D608-V612 VanDerWaalsContact O-N 3.16Å; D609-V612 WeakPolarHBondContact O-CB 3.16Å; D609-V612 PolarHBondContact O-N 3.3Å; F610-V612 VanDerWaalsContact C-N 3.33Å; F610-V612 PolarHBondContact O-N 3.33Å; V612-V614 VanDerWaalsContact C-N 3.27Å; V612-V614 PolarHBondContact O-N 3.15Å; V612-Y615 PolarHBondContact O-N 2.84Å; V612-E616 HydrophobicContact CG1-CG 4.07Å; V612-E616 WeakPolarHBondContact O-CG 3.34Å; V612-E616 PolarHBondContact O-N 3.18Å; V612-L638 HydrophobicContact CG1-CD2 3.95Å; V612-L641 HydrophobicContact CG2-CB 3.91Å; V612-L641 HydrophobicContact CG2-CD1 3.82Å; V612-L641 HydrophobicContact CG2-CG 4.4Å; V612-L646 HydrophobicContact CG2-CB 3.78Å |
| 613 | S | 93.4 | Very high | 91.8 | Very high | 44 Ų | 44 | 24 Ų | 24 | 31% | 0.308 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.4 | -31 | -179.1 | 82.8 | 0 | 0 | 0 | 0 | 114.3 | D609 F610 A611 A617 | D609-S613 PolarHBondContact O-N 3.23Å; F610-S613 WeakPolarHBondContact O-CB 3.34Å; F610-S613 PolarHBondContact O-N 3.4Å; F610-S613 VanDerWaalsContact O-N 3.09Å; F610-S613 PolarHBondContact O-OG 2.95Å; A611-S613 VanDerWaalsContact C-N 3.3Å; A611-S613 PolarHBondContact O-N 2.71Å; S613-A617 VanDerWaalsContact O-CB 3.26Å; S613-A617 WeakPolarHBondContact O-CB 3.26Å; S613-A617 PolarHBondContact O-N 2.9Å |
| 614 | V | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.7 | -47.4 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 111 | L574 I597 R598 L601 F610 A611 V612 E616 A617 H618 | L574-V614 HydrophobicContact CD1-CB 4.12Å; L574-V614 HydrophobicContact CD1-CG2 3.55Å; I597-V614 HydrophobicContact CB-CG1 4.34Å; I597-V614 HydrophobicContact CG2-CB 4.47Å; I597-V614 HydrophobicContact CG2-CG1 3.61Å; I597-V614 HydrophobicContact CG2-CG2 3.93Å; R598-V614 HydrophobicContact CG-CG1 3.97Å; L601-V614 HydrophobicContact CD1-CB 3.99Å; L601-V614 HydrophobicContact CD1-CG1 4.22Å; L601-V614 HydrophobicContact CD1-CG2 3.83Å; F610-V614 HydrophobicContact CD1-CG2 4.36Å; F610-V614 HydrophobicContact CE1-CG2 3.76Å; F610-V614 HydrophobicContact CE2-CG2 4.07Å; F610-V614 HydrophobicContact CZ-CG2 3.59Å; F610-V614 PolarHBondContact O-N 2.83Å; F610-V614 VanDerWaalsContact O-N 3.08Å; A611-V614 WeakPolarHBondContact O-CB 3.31Å; A611-V614 PolarHBondContact O-N 2.82Å; A611-V614 VanDerWaalsContact O-N 3.11Å; V612-V614 VanDerWaalsContact C-N 3.27Å; V612-V614 PolarHBondContact O-N 3.15Å; V614-E616 VanDerWaalsContact C-N 3.33Å; V614-E616 PolarHBondContact O-N 3.08Å; V614-A617 PolarHBondContact O-N 3.24Å; V614-H618 PolarHBondContact O-N 2.59Å |
| 615 | Y | 95 | Very high | 92.1 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.2 | -81.7 | -76.7 | 0 | 0 | 0 | 112.2 | R598 A611 V612 A619 C634 Q637 L641 | R598-Y615 HydrophobicContact CB-CE1 4.47Å; R598-Y615 HydrophobicContact CG-CD1 4.23Å; R598-Y615 HydrophobicContact CG-CE1 3.84Å; R598-Y615 HydrophobicContact CG-CE2 4.42Å; A611-Y615 WeakPolarHBondContact O-CD2 3.48Å; A611-Y615 PolarHBondContact O-N 3.27Å; V612-Y615 PolarHBondContact O-N 2.84Å; Y615-A619 VanDerWaalsContact O-CB 3.26Å; Y615-A619 WeakPolarHBondContact O-CB 3.36Å; Y615-A619 PolarHBondContact O-N 2.65Å; Y615-C634 HydrophobicContact CD1-CB 4.44Å; Y615-Q637 HydrophobicContact CD1-CB 3.96Å; Y615-Q637 HydrophobicContact CD1-CG 4.13Å; Y615-Q637 HydrophobicContact CD2-CG 4.2Å; Y615-Q637 HydrophobicContact CE1-CB 3.65Å; Y615-Q637 HydrophobicContact CE1-CG 3.65Å; Y615-Q637 HydrophobicContact CE2-CG 3.8Å; Y615-Q637 HydrophobicContact CG-CG 4.41Å; Y615-L641 HydrophobicContact CD2-CD1 3.94Å; Y615-L641 HydrophobicContact CE2-CD1 4.46Å |
| 616 | E | 93.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 27 Ų | 27 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 172.4 | -71.6 | -165.8 | 171.4 | 0 | 0 | 112.6 | V612 V614 H618 A619 D620 L638 R650 F654 | V612-E616 HydrophobicContact CG1-CG 4.07Å; V612-E616 WeakPolarHBondContact O-CG 3.34Å; V612-E616 PolarHBondContact O-N 3.18Å; V614-E616 VanDerWaalsContact C-N 3.33Å; V614-E616 PolarHBondContact O-N 3.08Å; E616-H618 VanDerWaalsContact C-N 3.33Å; E616-H618 PolarHBondContact O-N 3.46Å; E616-A619 WeakPolarHBondContact O-CB 3.36Å; E616-A619 PolarHBondContact O-N 3.15Å; E616-A619 VanDerWaalsContact O-N 3.12Å; E616-D620 WeakPolarHBondContact O-CB 3.5Å; E616-D620 PolarHBondContact O-N 3.33Å; E616-L638 HydrophobicContact CG-CD1 4.42Å; E616-L638 HydrophobicContact CG-CD2 4Å; E616-R650 WeakPolarHBondContact OE1-CB 3.32Å; E616-R650 VanDerWaalsContact OE2-CD 3.26Å; E616-R650 WeakPolarHBondContact OE2-CD 3.31Å; E616-R650 IonicContact OE2-CZ 3.3Å; E616-R650 IonicContact OE2-NE 3.74Å; E616-R650 IonicContact OE2-NH1 2.7Å; E616-R650 PolarHBondContact OE2-NH1 3.13Å; E616-F654 HydrophobicContact CB-CE2 4.31Å; E616-F654 HydrophobicContact CB-CZ 4.16Å; E616-F654 HydrophobicContact CG-CE2 3.64Å; E616-F654 HydrophobicContact CG-CZ 3.93Å |
| 617 | A | 94.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 8% | 0.083 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L574 K578 F594 S613 V614 D620 V621 | L574-A617 HydrophobicContact CD1-CB 4.34Å; K578-A617 HydrophobicContact CD-CB 4.09Å; F594-A617 HydrophobicContact CE1-CB 4.02Å; F594-A617 HydrophobicContact CZ-CB 4.18Å; S613-A617 VanDerWaalsContact O-CB 3.26Å; S613-A617 WeakPolarHBondContact O-CB 3.26Å; S613-A617 PolarHBondContact O-N 2.9Å; V614-A617 PolarHBondContact O-N 3.24Å; A617-D620 PolarHBondContact O-N 3.45Å; A617-V621 WeakPolarHBondContact O-CG2 3.43Å; A617-V621 PolarHBondContact O-N 2.99Å; A617-V621 VanDerWaalsContact O-N 3.08Å |
| 618 | H | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 174.7 | -171.2 | -171 | 0 | 0 | 0 | 111.8 | F594 R598 V614 E616 V621 A622 E630 | F594-H618 HydrophobicContact CB-CB 3.85Å; F594-H618 VanDerWaalsContact CB-CG 3.42Å; F594-H618 WeakPolarHBondContact CB-ND1 3.49Å; F594-H618 HydrophobicContact CD1-CB 3.92Å; F594-H618 HydrophobicContact CD2-CB 4.11Å; F594-H618 AromaticContact CD2-CD2 3.78Å; F594-H618 HydrophobicContact CE1-CB 4.48Å; F594-H618 HydrophobicContact CG-CB 3.73Å; F594-H618 AromaticContact CG-CD2 3.95Å; F594-H618 AromaticContact CG-CG 3.75Å; R598-H618 WeakPolarHBondContact CD-ND1 3.49Å; R598-H618 PolarHBondContact NH1-CE1 3.09Å; R598-H618 PolarHBondContact NH1-ND1 3.13Å; V614-H618 PolarHBondContact O-N 2.59Å; E616-H618 VanDerWaalsContact C-N 3.33Å; E616-H618 PolarHBondContact O-N 3.46Å; H618-V621 PolarHBondContact O-N 3.38Å; H618-A622 WeakPolarHBondContact O-CB 3.44Å; H618-A622 PolarHBondContact O-N 2.83Å; H618-E630 IonicContact CE1-OE2 3.88Å |
| 619 | A | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y615 E616 A622 L623 F631 C634 L638 F654 | Y615-A619 VanDerWaalsContact O-CB 3.26Å; Y615-A619 WeakPolarHBondContact O-CB 3.36Å; Y615-A619 PolarHBondContact O-N 2.65Å; E616-A619 WeakPolarHBondContact O-CB 3.36Å; E616-A619 PolarHBondContact O-N 3.15Å; E616-A619 VanDerWaalsContact O-N 3.12Å; A619-A622 PolarHBondContact O-N 3.32Å; A619-L623 VanDerWaalsContact O-CG 3.29Å; A619-L623 WeakPolarHBondContact O-CG 3.42Å; A619-L623 PolarHBondContact O-N 2.94Å; A619-F631 HydrophobicContact CB-CD2 3.98Å; A619-F631 HydrophobicContact CB-CE2 4.18Å; A619-C634 HydrophobicContact CB-CB 3.83Å; A619-L638 HydrophobicContact CB-CD1 4.47Å; A619-F654 HydrophobicContact CB-CE1 3.78Å; A619-F654 HydrophobicContact CB-CZ 4.25Å |
| 620 | D | 92.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.9 | -77.4 | -36.2 | 0 | 0 | 0 | 111.7 | E616 A617 L623 E624 R650 R722 | E616-D620 WeakPolarHBondContact O-CB 3.5Å; E616-D620 PolarHBondContact O-N 3.33Å; A617-D620 PolarHBondContact O-N 3.45Å; D620-L623 WeakPolarHBondContact O-CB 3.48Å; D620-L623 PolarHBondContact O-N 3.33Å; D620-E624 WeakPolarHBondContact O-CG 3.38Å; D620-E624 PolarHBondContact O-N 2.93Å; D620-E624 VanDerWaalsContact O-N 3.08Å; D620-R650 VanDerWaalsContact CG-NH2 3.34Å; D620-R650 IonicContact OD1-CZ 2.71Å; D620-R650 IonicContact OD1-NH1 3.76Å; D620-R650 IonicContact OD1-NH2 2.95Å; D620-R650 PolarHBondContact OD1-NH2 3.31Å; D620-R650 IonicContact OD2-CZ 3.87Å; D620-R650 IonicContact OD2-NH1 3.64Å; D620-R650 PolarHBondContact OD2-NH1 3.06Å; D620-R650 IonicContact OD2-NH2 3.51Å; D620-R650 PolarHBondContact OD2-NH2 2.96Å; D620-R722 VanDerWaalsContact CG-CZ 3.46Å; D620-R722 WeakPolarHBondContact OD1-CD 3.31Å; D620-R722 IonicContact OD1-CZ 3.18Å; D620-R722 IonicContact OD1-NE 2.77Å; D620-R722 IonicContact OD1-NH1 3.26Å; D620-R722 PolarHBondContact OD1-NH1 3.06Å; D620-R722 IonicContact OD2-CZ 3.92Å; D620-R722 IonicContact OD2-NH1 3.73Å; D620-R722 PolarHBondContact OD2-NH1 3.33Å |
| 621 | V | 93.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 112 | W581 Y587 V590 F594 A617 H618 L623 E624 A625 | W581-V621 HydrophobicContact CD2-CG1 3.83Å; W581-V621 HydrophobicContact CD2-CG2 4.3Å; W581-V621 HydrophobicContact CE3-CG1 4.15Å; W581-V621 HydrophobicContact CG-CG1 4.29Å; W581-V621 HydrophobicContact CG-CG2 3.94Å; W581-V621 HydrophobicContact CH2-CG1 4.31Å; W581-V621 HydrophobicContact CZ2-CG1 4.02Å; W581-V621 HydrophobicContact CZ3-CG1 4.38Å; Y587-V621 HydrophobicContact CD2-CG1 4.2Å; Y587-V621 HydrophobicContact CE2-CG1 4.09Å; V590-V621 HydrophobicContact CG1-CG1 3.86Å; F594-V621 HydrophobicContact CE2-CB 4.17Å; F594-V621 HydrophobicContact CE2-CG1 4.35Å; F594-V621 HydrophobicContact CE2-CG2 3.91Å; F594-V621 HydrophobicContact CZ-CG2 4.34Å; A617-V621 WeakPolarHBondContact O-CG2 3.43Å; A617-V621 PolarHBondContact O-N 2.99Å; A617-V621 VanDerWaalsContact O-N 3.08Å; H618-V621 PolarHBondContact O-N 3.38Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.02Å; V621-E624 PolarHBondContact O-N 2.8Å; V621-A625 WeakPolarHBondContact O-CB 3.44Å; V621-A625 PolarHBondContact O-N 2.91Å |
| 622 | A | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -35.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H618 A619 G626 D627 E630 F631 | H618-A622 WeakPolarHBondContact O-CB 3.44Å; H618-A622 PolarHBondContact O-N 2.83Å; A619-A622 PolarHBondContact O-N 3.32Å; A622-G626 CarbonylContact O-C 3.6Å; A622-G626 WeakPolarHBondContact O-CA 3.33Å; A622-G626 PolarHBondContact O-N 2.91Å; A622-D627 PolarHBondContact O-N 2.94Å; A622-E630 HydrophobicContact CB-CB 4.21Å; A622-F631 HydrophobicContact CB-CB 4.14Å |
| 623 | L | 92.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 172.7 | -72 | 173.9 | 0 | 0 | 0 | 112.7 | A619 D620 V621 G626 F631 Y657 R722 H725 V726 W729 | A619-L623 VanDerWaalsContact O-CG 3.29Å; A619-L623 WeakPolarHBondContact O-CG 3.42Å; A619-L623 PolarHBondContact O-N 2.94Å; D620-L623 WeakPolarHBondContact O-CB 3.48Å; D620-L623 PolarHBondContact O-N 3.33Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.02Å; L623-G626 PolarHBondContact O-N 3.44Å; L623-F631 HydrophobicContact CD1-CD2 4.07Å; L623-F631 HydrophobicContact CD1-CE2 3.82Å; L623-F631 HydrophobicContact CD2-CD1 4.37Å; L623-F631 HydrophobicContact CD2-CD2 3.69Å; L623-F631 HydrophobicContact CD2-CE2 3.91Å; L623-F631 HydrophobicContact CD2-CG 3.95Å; L623-F631 HydrophobicContact CD2-CZ 4.35Å; L623-F631 HydrophobicContact CG-CD2 3.63Å; L623-F631 HydrophobicContact CG-CE2 3.9Å; L623-F631 HydrophobicContact CG-CG 4.32Å; L623-Y657 HydrophobicContact CD1-CD2 3.97Å; L623-Y657 HydrophobicContact CD1-CE2 3.85Å; L623-R722 HydrophobicContact CB-CB 4.49Å; L623-R722 HydrophobicContact CD1-CB 3.86Å; L623-H725 HydrophobicContact CB-CB 4.4Å; L623-H725 WeakPolarHBondContact O-CB 3.48Å; L623-V726 HydrophobicContact CD2-CG2 3.51Å; L623-W729 HydrophobicContact CD2-CH2 3.52Å; L623-W729 HydrophobicContact CD2-CZ2 3.89Å; L623-W729 HydrophobicContact CD2-CZ3 4.36Å |
| 624 | E | 91.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 29 Ų | 29 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72 | -39.1 | 179.1 | -73.3 | 165.2 | -165.3 | 0 | 0 | 112.3 | W581 D620 V621 G626 R722 | W581-E624 HydrophobicContact CZ2-CB 3.93Å; W581-E624 PolarHBondContact NE1-OE2 3.49Å; D620-E624 WeakPolarHBondContact O-CG 3.38Å; D620-E624 PolarHBondContact O-N 2.93Å; D620-E624 VanDerWaalsContact O-N 3.08Å; V621-E624 PolarHBondContact O-N 2.8Å; E624-G626 VanDerWaalsContact C-N 3.33Å; E624-R722 IonicContact OE1-CZ 2.86Å; E624-R722 IonicContact OE1-NE 3.78Å; E624-R722 PolarHBondContact OE1-NE 3.44Å; E624-R722 IonicContact OE1-NH2 3.38Å; E624-R722 PolarHBondContact OE1-NH2 2.87Å |
| 625 | A | 91.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 29.2 Ų | 29.2 | 38% | 0.38 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -75 | -19.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | W581 Y587 V621 | W581-A625 HydrophobicContact CH2-CB 4.19Å; Y587-A625 HydrophobicContact CD1-CB 4.03Å; Y587-A625 HydrophobicContact CD2-CB 3.32Å; Y587-A625 HydrophobicContact CE1-CB 4.1Å; Y587-A625 HydrophobicContact CE2-CB 3.4Å; Y587-A625 VanDerWaalsContact CE2-CB 3.4Å; Y587-A625 HydrophobicContact CG-CB 3.66Å; V621-A625 WeakPolarHBondContact O-CB 3.44Å; V621-A625 PolarHBondContact O-N 2.91Å |
| 626 | G | 90.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 13.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A622 L623 E624 F628 W729 | A622-G626 CarbonylContact O-C 3.6Å; A622-G626 WeakPolarHBondContact O-CA 3.33Å; A622-G626 PolarHBondContact O-N 2.91Å; L623-G626 PolarHBondContact O-N 3.44Å; E624-G626 VanDerWaalsContact C-N 3.33Å; G626-F628 PolarHBondContact O-N 3.08Å; G626-W729 PolarHBondContact O-NE1 3.36Å |
| 627 | D | 92.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | trans | -78.1 | 105.7 | 176.5 | -167.5 | -42.1 | 0 | 0 | 0 | 111.2 | Y587 A622 E629 E630 F631 | Y587-D627 HydrophobicContact CE1-CB 4.21Å; Y587-D627 VanDerWaalsContact OH-CB 3.27Å; Y587-D627 WeakPolarHBondContact OH-CB 3.38Å; A622-D627 PolarHBondContact O-N 2.94Å; D627-E629 WeakPolarHBondContact OD1-CA 3.48Å; D627-E629 PolarHBondContact OD1-N 3.32Å; D627-E630 HydrophobicContact CB-CB 4.42Å; D627-E630 PolarHBondContact OD1-N 3.26Å; D627-F631 VanDerWaalsContact O-CB 3.3Å; D627-F631 WeakPolarHBondContact O-CB 3.46Å; D627-F631 PolarHBondContact O-N 3.45Å | ||
| 628 | F | 90.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 31.1 Ų | 31.1 | 33% | 0.325 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -80.8 | -16.2 | 179.6 | 66 | -94 | 0 | 0 | 0 | 113.8 | G626 H632 F664 W729 | G626-F628 PolarHBondContact O-N 3.08Å; F628-H632 VanDerWaalsContact O-CB 3.24Å; F628-H632 WeakPolarHBondContact O-CB 3.43Å; F628-H632 PolarHBondContact O-N 3.36Å; F628-F664 HydrophobicContact CB-CE1 4.38Å; F628-F664 HydrophobicContact CD1-CZ 4.17Å; F628-F664 AromaticContact CD2-CE1 3.72Å; F628-F664 HydrophobicContact CD2-CE1 3.72Å; F628-F664 AromaticContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CE1-CZ 4.39Å; F628-F664 HydrophobicContact CE2-CE1 4.18Å; F628-F664 HydrophobicContact CE2-CZ 4.21Å; F628-F664 AromaticContact CG-CE1 3.99Å; F628-F664 HydrophobicContact CG-CE1 3.99Å; F628-F664 AromaticContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CZ-CZ 4.42Å; F628-W729 HydrophobicContact CB-CD2 3.85Å; F628-W729 HydrophobicContact CB-CE3 3.94Å; F628-W729 HydrophobicContact CB-CH2 3.85Å; F628-W729 HydrophobicContact CB-CZ2 3.74Å; F628-W729 HydrophobicContact CB-CZ3 3.95Å |
| 629 | E | 92.3 | Very high | 92.4 | Very high | 124 Ų | 124 | 32.6 Ų | 32.6 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -84 | -45.1 | -179.7 | -62.4 | -161.3 | 173.6 | 0 | 0 | 110.7 | D627 H632 Q633 | D627-E629 WeakPolarHBondContact OD1-CA 3.48Å; D627-E629 PolarHBondContact OD1-N 3.32Å; E629-H632 PolarHBondContact O-N 3.07Å; E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.08Å |
| 630 | E | 92.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 172 | -70.8 | -58 | 146 | 0 | 0 | 112.1 | K595 R598 H618 A622 D627 H632 Q633 C634 | K595-E630 WeakPolarHBondContact CE-OE1 3.37Å; K595-E630 WeakPolarHBondContact CE-OE2 3.26Å; K595-E630 IonicContact NZ-OE1 2.69Å; K595-E630 PolarHBondContact NZ-OE1 2.89Å; K595-E630 IonicContact NZ-OE2 3.19Å; R598-E630 IonicContact NH1-OE2 2.78Å; R598-E630 PolarHBondContact NH1-OE2 2.99Å; H618-E630 IonicContact CE1-OE2 3.88Å; A622-E630 HydrophobicContact CB-CB 4.21Å; D627-E630 HydrophobicContact CB-CB 4.42Å; D627-E630 PolarHBondContact OD1-N 3.26Å; E630-H632 VanDerWaalsContact C-N 3.3Å; E630-H632 PolarHBondContact O-N 3.27Å; E630-Q633 PolarHBondContact O-N 3.43Å; E630-Q633 PolarHBondContact OE1-NE2 3.29Å; E630-Q633 PolarHBondContact OE2-NE2 2.85Å; E630-C634 PolarHBondContact O-N 2.82Å; E630-C634 PolarHBondContact O-SG 2.8Å |
| 631 | F | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 171.3 | 174.3 | -101.5 | 0 | 0 | 0 | 111.8 | A619 A622 L623 D627 C634 Q635 F654 Y657 W729 | A619-F631 HydrophobicContact CB-CD2 3.98Å; A619-F631 HydrophobicContact CB-CE2 4.18Å; A622-F631 HydrophobicContact CB-CB 4.14Å; L623-F631 HydrophobicContact CD1-CD2 4.07Å; L623-F631 HydrophobicContact CD1-CE2 3.82Å; L623-F631 HydrophobicContact CD2-CD1 4.37Å; L623-F631 HydrophobicContact CD2-CD2 3.69Å; L623-F631 HydrophobicContact CD2-CE2 3.91Å; L623-F631 HydrophobicContact CD2-CG 3.95Å; L623-F631 HydrophobicContact CD2-CZ 4.35Å; L623-F631 HydrophobicContact CG-CD2 3.63Å; L623-F631 HydrophobicContact CG-CE2 3.9Å; L623-F631 HydrophobicContact CG-CG 4.32Å; D627-F631 VanDerWaalsContact O-CB 3.3Å; D627-F631 WeakPolarHBondContact O-CB 3.46Å; D627-F631 PolarHBondContact O-N 3.45Å; F631-C634 PolarHBondContact O-N 2.8Å; F631-Q635 HydrophobicContact CE1-CB 4.36Å; F631-Q635 HydrophobicContact CZ-CB 4.33Å; F631-Q635 HydrophobicContact CZ-CG 4.45Å; F631-Q635 WeakPolarHBondContact O-CB 3.49Å; F631-Q635 PolarHBondContact O-N 3.42Å; F631-F654 HydrophobicContact CE2-CD1 4.4Å; F631-F654 HydrophobicContact CE2-CE1 4.24Å; F631-Y657 HydrophobicContact CE2-CD2 4.37Å; F631-Y657 HydrophobicContact CZ-CD2 4.31Å; F631-Y657 HydrophobicContact CZ-CG 4.4Å; F631-W729 HydrophobicContact CB-CH2 3.9Å; F631-W729 HydrophobicContact CB-CZ2 4.49Å; F631-W729 AromaticContact CD1-CH2 3.58Å; F631-W729 HydrophobicContact CD1-CH2 3.58Å; F631-W729 AromaticContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CE1-CH2 4.35Å; F631-W729 HydrophobicContact CE1-CZ3 4.4Å; F631-W729 AromaticContact CG-CH2 3.8Å; F631-W729 HydrophobicContact CG-CH2 3.8Å |
| 632 | H | 92.8 | Very high | 91.7 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.5 | -35 | 179.1 | -179.3 | -133.7 | 0 | 0 | 0 | 112.8 | F628 E629 E630 S636 Y661 | F628-H632 VanDerWaalsContact O-CB 3.24Å; F628-H632 WeakPolarHBondContact O-CB 3.43Å; F628-H632 PolarHBondContact O-N 3.36Å; E629-H632 PolarHBondContact O-N 3.07Å; E630-H632 VanDerWaalsContact C-N 3.3Å; E630-H632 PolarHBondContact O-N 3.27Å; H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 3.19Å; H632-S636 PolarHBondContact O-OG 3.05Å; H632-Y661 HydrophobicContact CB-CE1 4.23Å; H632-Y661 HydrophobicContact CB-CE2 4.11Å; H632-Y661 AromaticContact CD2-CD1 4Å; H632-Y661 AromaticContact CD2-CE1 3.26Å; H632-Y661 WeakPolarHBondContact CD2-CE1 3.34Å; H632-Y661 AromaticContact CD2-CZ 3.66Å; H632-Y661 AromaticContact CG-CE1 3.68Å; H632-Y661 AromaticContact CG-CZ 3.53Å; H632-Y661 VanDerWaalsContact CG-OH 3.26Å; H632-Y661 PolarHBondContact ND1-OH 3.35Å; H632-Y661 AromaticContact NE2-CE1 3.6Å |
| 633 | Q | 92.8 | Very high | 91.3 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -50.9 | 170.9 | -72.1 | 175.4 | 60.9 | 0 | 0 | 111.6 | E629 E630 S636 Q637 | E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.08Å; E630-Q633 PolarHBondContact O-N 3.43Å; E630-Q633 PolarHBondContact OE1-NE2 3.29Å; E630-Q633 PolarHBondContact OE2-NE2 2.85Å; Q633-S636 PolarHBondContact O-N 3.37Å; Q633-Q637 PolarHBondContact O-N 2.98Å |
| 634 | C | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.4 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | R598 Y615 A619 E630 F631 S636 Q637 L638 | R598-C634 PolarHBondContact NH1-SG 3.06Å; Y615-C634 HydrophobicContact CD1-CB 4.44Å; A619-C634 HydrophobicContact CB-CB 3.83Å; E630-C634 PolarHBondContact O-N 2.82Å; E630-C634 PolarHBondContact O-SG 2.8Å; F631-C634 PolarHBondContact O-N 2.8Å; C634-S636 VanDerWaalsContact C-N 3.26Å; C634-S636 PolarHBondContact O-N 2.92Å; C634-Q637 PolarHBondContact O-N 3.38Å; C634-L638 WeakPolarHBondContact O-CG 3.32Å; C634-L638 PolarHBondContact O-N 2.72Å |
| 635 | Q | 92.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -37.7 | 176 | -175 | -143.6 | 111.4 | 0 | 0 | 112.5 | F631 L639 R658 | F631-Q635 HydrophobicContact CE1-CB 4.36Å; F631-Q635 HydrophobicContact CZ-CB 4.33Å; F631-Q635 HydrophobicContact CZ-CG 4.45Å; F631-Q635 WeakPolarHBondContact O-CB 3.49Å; F631-Q635 PolarHBondContact O-N 3.42Å; Q635-L639 VanDerWaalsContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CB 3.47Å; Q635-L639 PolarHBondContact O-N 3.06Å; Q635-R658 HydrophobicContact CG-CB 4.3Å; Q635-R658 HydrophobicContact CG-CG 4.49Å |
| 636 | S | 91.6 | Very high | 89.6 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67 | -36.7 | 179.9 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | H632 Q633 C634 | H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 3.19Å; H632-S636 PolarHBondContact O-OG 3.05Å; Q633-S636 PolarHBondContact O-N 3.37Å; C634-S636 VanDerWaalsContact C-N 3.26Å; C634-S636 PolarHBondContact O-N 2.92Å |
| 637 | Q | 91.8 | Very high | 88.8 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.8 | -38.3 | 174.7 | -174 | 63.8 | 16.8 | 0 | 0 | 112.3 | E607 Y615 Q633 C634 L639 R640 L641 | E607-Q637 PolarHBondContact OE1-NE2 3.18Å; Y615-Q637 HydrophobicContact CD1-CB 3.96Å; Y615-Q637 HydrophobicContact CD1-CG 4.13Å; Y615-Q637 HydrophobicContact CD2-CG 4.2Å; Y615-Q637 HydrophobicContact CE1-CB 3.65Å; Y615-Q637 HydrophobicContact CE1-CG 3.65Å; Y615-Q637 HydrophobicContact CE2-CG 3.8Å; Y615-Q637 HydrophobicContact CG-CG 4.41Å; Q633-Q637 PolarHBondContact O-N 2.98Å; C634-Q637 PolarHBondContact O-N 3.38Å; Q637-L639 PolarHBondContact O-N 3.21Å; Q637-R640 WeakPolarHBondContact O-CA 3.49Å; Q637-R640 VanDerWaalsContact O-CB 3.29Å; Q637-R640 WeakPolarHBondContact O-CB 3.44Å; Q637-R640 PolarHBondContact O-N 2.69Å; Q637-L641 HydrophobicContact CG-CD1 4.3Å; Q637-L641 PolarHBondContact O-N 3.3Å |
| 638 | L | 92.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -41.1 | 171.1 | -72.9 | 169.5 | 0 | 0 | 0 | 111 | V612 E616 A619 C634 R640 L641 H642 F654 | V612-L638 HydrophobicContact CG1-CD2 3.95Å; E616-L638 HydrophobicContact CG-CD1 4.42Å; E616-L638 HydrophobicContact CG-CD2 4Å; A619-L638 HydrophobicContact CB-CD1 4.47Å; C634-L638 WeakPolarHBondContact O-CG 3.32Å; C634-L638 PolarHBondContact O-N 2.72Å; L638-R640 PolarHBondContact O-N 3.15Å; L638-L641 PolarHBondContact O-N 2.9Å; L638-H642 WeakPolarHBondContact O-CB 3.38Å; L638-H642 PolarHBondContact O-CD2 3.32Å; L638-H642 VanDerWaalsContact O-CD2 3.3Å; L638-H642 PolarHBondContact O-N 3.45Å; L638-H642 PolarHBondContact O-ND1 3.39Å; L638-F654 HydrophobicContact CD1-CD1 3.76Å; L638-F654 HydrophobicContact CD1-CD2 4.37Å; L638-F654 HydrophobicContact CD1-CE1 3.63Å; L638-F654 HydrophobicContact CD1-CE2 4.27Å; L638-F654 HydrophobicContact CD1-CG 4.14Å; L638-F654 HydrophobicContact CD1-CZ 3.92Å |
| 639 | L | 89.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -21.1 | 173.3 | 177.9 | 62.2 | 0 | 0 | 0 | 114.1 | P300 Q635 Q637 K643 R658 | P300-L639 HydrophobicContact CG-CD2 4.45Å; Q635-L639 VanDerWaalsContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CB 3.47Å; Q635-L639 PolarHBondContact O-N 3.06Å; Q637-L639 PolarHBondContact O-N 3.21Å; L639-K643 WeakPolarHBondContact O-CD 3.22Å; L639-K643 WeakPolarHBondContact O-CE 3.01Å; L639-K643 VanDerWaalsContact O-CG 3.31Å; L639-K643 WeakPolarHBondContact O-CG 3.5Å; L639-R658 VanDerWaalsContact CD1-NH1 3.31Å |
| 640 | R | 89.8 | Confident | 87.3 | Confident | 102 Ų | 102 | 46.7 Ų | 46.7 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -80.5 | -57.7 | 172.2 | -173.2 | -174.2 | 163.6 | -137.5 | -27.3 | 110.1 | E607 Q637 L638 H642 K643 E644 | E607-R640 IonicContact OE1-CZ 2.99Å; E607-R640 VanDerWaalsContact OE1-CZ 3.23Å; E607-R640 IonicContact OE1-NH1 3.23Å; E607-R640 PolarHBondContact OE1-NH1 3.08Å; E607-R640 IonicContact OE1-NH2 3.86Å; E607-R640 PolarHBondContact OE1-NH2 3.32Å; E607-R640 IonicContact OE2-CZ 3.29Å; E607-R640 VanDerWaalsContact OE2-CZ 3.32Å; E607-R640 IonicContact OE2-NH1 3.85Å; E607-R640 PolarHBondContact OE2-NH1 3.17Å; E607-R640 IonicContact OE2-NH2 3.34Å; E607-R640 PolarHBondContact OE2-NH2 2.94Å; Q637-R640 WeakPolarHBondContact O-CA 3.49Å; Q637-R640 VanDerWaalsContact O-CB 3.29Å; Q637-R640 WeakPolarHBondContact O-CB 3.44Å; Q637-R640 PolarHBondContact O-N 2.69Å; L638-R640 PolarHBondContact O-N 3.15Å; R640-H642 PolarHBondContact O-N 3.08Å; R640-K643 WeakPolarHBondContact O-CA 3.24Å; R640-K643 WeakPolarHBondContact O-CB 3.39Å; R640-K643 PolarHBondContact O-N 2.85Å; R640-E644 WeakPolarHBondContact CG-OE1 3.26Å; R640-E644 IonicContact CZ-OE1 2.76Å; R640-E644 IonicContact NE-OE1 3.15Å; R640-E644 PolarHBondContact NE-OE1 2.84Å; R640-E644 IonicContact NE-OE2 3.57Å; R640-E644 IonicContact NH2-OE1 3.31Å; R640-E644 PolarHBondContact NH2-OE1 3.17Å; R640-E644 IonicContact NH2-OE2 2.79Å; R640-E644 PolarHBondContact O-N 2.8Å |
| 641 | L | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -39.3 | 180 | -60.2 | 170.1 | 0 | 0 | 0 | 112.2 | E607 V612 Y615 Q637 L638 K643 E644 G645 L646 | E607-L641 HydrophobicContact CB-CD2 3.84Å; E607-L641 HydrophobicContact CG-CD2 4.22Å; V612-L641 HydrophobicContact CG2-CB 3.91Å; V612-L641 HydrophobicContact CG2-CD1 3.82Å; V612-L641 HydrophobicContact CG2-CG 4.4Å; Y615-L641 HydrophobicContact CD2-CD1 3.94Å; Y615-L641 HydrophobicContact CE2-CD1 4.46Å; Q637-L641 HydrophobicContact CG-CD1 4.3Å; Q637-L641 PolarHBondContact O-N 3.3Å; L638-L641 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact C-N 3.25Å; L641-K643 PolarHBondContact O-N 2.55Å; L641-E644 WeakPolarHBondContact CA-OE2 3.4Å; L641-E644 PolarHBondContact N-OE2 3.4Å; L641-E644 PolarHBondContact O-N 3.12Å; L641-E644 VanDerWaalsContact O-N 3.15Å; L641-G645 PolarHBondContact O-N 3.13Å; L641-G645 VanDerWaalsContact O-N 3.08Å; L641-L646 HydrophobicContact CD2-CD1 4.35Å; L641-L646 PolarHBondContact O-N 3.5Å |
| 642 | H | 87.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -14.6 | 176.1 | -68.2 | 179 | 0 | 0 | 0 | 114.9 | L638 R640 L646 L651 | L638-H642 WeakPolarHBondContact O-CB 3.38Å; L638-H642 PolarHBondContact O-CD2 3.32Å; L638-H642 VanDerWaalsContact O-CD2 3.3Å; L638-H642 PolarHBondContact O-N 3.45Å; L638-H642 PolarHBondContact O-ND1 3.39Å; R640-H642 PolarHBondContact O-N 3.08Å; H642-L646 PolarHBondContact CD2-O 3.06Å; H642-L646 VanDerWaalsContact CD2-O 3.3Å; H642-L651 HydrophobicContact CB-CD1 3.85Å |
| 643 | K | 84.6 | Confident | 86.8 | Confident | 148 Ų | 148 | 49.4 Ų | 49.4 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -91 | -29.4 | 170 | -66.5 | 166.1 | -175.4 | 170.8 | 0 | 112.1 | L639 R640 L641 | L639-K643 WeakPolarHBondContact O-CD 3.22Å; L639-K643 WeakPolarHBondContact O-CE 3.01Å; L639-K643 VanDerWaalsContact O-CG 3.31Å; L639-K643 WeakPolarHBondContact O-CG 3.5Å; R640-K643 WeakPolarHBondContact O-CA 3.24Å; R640-K643 WeakPolarHBondContact O-CB 3.39Å; R640-K643 PolarHBondContact O-N 2.85Å; L641-K643 VanDerWaalsContact C-N 3.25Å; L641-K643 PolarHBondContact O-N 2.55Å |
| 644 | E | 85 | Confident | 86.7 | Confident | 95 Ų | 95 | 45.7 Ų | 45.7 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.9 | -17.7 | 174.4 | -73 | 143.2 | 174.6 | 0 | 0 | 111.3 | R640 L641 | R640-E644 WeakPolarHBondContact CG-OE1 3.26Å; R640-E644 IonicContact CZ-OE1 2.76Å; R640-E644 IonicContact NE-OE1 3.15Å; R640-E644 PolarHBondContact NE-OE1 2.84Å; R640-E644 IonicContact NE-OE2 3.57Å; R640-E644 IonicContact NH2-OE1 3.31Å; R640-E644 PolarHBondContact NH2-OE1 3.17Å; R640-E644 IonicContact NH2-OE2 2.79Å; R640-E644 PolarHBondContact O-N 2.8Å; L641-E644 WeakPolarHBondContact CA-OE2 3.4Å; L641-E644 PolarHBondContact N-OE2 3.4Å; L641-E644 PolarHBondContact O-N 3.12Å; L641-E644 VanDerWaalsContact O-N 3.15Å |
| 645 | G | 80.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.7 | -2.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L641 V648 | L641-G645 PolarHBondContact O-N 3.13Å; L641-G645 VanDerWaalsContact O-N 3.08Å; G645-V648 WeakPolarHBondContact O-CG2 3.48Å |
| 646 | L | 74.8 | Confident | 86.6 | Confident | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | trans | -88.8 | 164 | -172.3 | -57.4 | 156.2 | 0 | 0 | 0 | 111.3 | E607 V612 L641 H642 V648 | E607-L646 WeakPolarHBondContact O-CD1 3.31Å; V612-L646 HydrophobicContact CG2-CB 3.78Å; L641-L646 HydrophobicContact CD2-CD1 4.35Å; L641-L646 PolarHBondContact O-N 3.5Å; H642-L646 PolarHBondContact CD2-O 3.06Å; H642-L646 VanDerWaalsContact CD2-O 3.3Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.31Å | ||
| 647 | G | 73.5 | Confident | 86.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | trans | 67.6 | 23.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D609 S649 R650 L651 | D609-G647 PolarHBondContact OD1-N 3.19Å; G647-S649 PolarHBondContact O-N 3.1Å; G647-R650 PolarHBondContact O-N 2.93Å; G647-L651 PolarHBondContact O-N 3.37Å | ||
| 648 | V | 77.2 | Confident | 86.7 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 61% | 0.612 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.3 | -173.8 | -173.4 | 0 | 0 | 0 | 0 | 113.2 | G645 L646 L651 | G645-V648 WeakPolarHBondContact O-CG2 3.48Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.31Å; V648-L651 WeakPolarHBondContact O-CB 3.49Å |
| 649 | S | 80.6 | Confident | 86.8 | Confident | 106 Ų | 106 | 45.2 Ų | 45.2 | 74% | 0.741 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -48.6 | -178.2 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | G647 | G647-S649 PolarHBondContact O-N 3.1Š|
| 650 | R | 85.8 | Confident | 86.9 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 2.7 | -178.2 | -64.1 | 178 | 69.1 | -160.9 | 5.3 | 113.9 | E616 D620 G647 L652 E653 F654 | E616-R650 WeakPolarHBondContact OE1-CB 3.32Å; E616-R650 VanDerWaalsContact OE2-CD 3.26Å; E616-R650 WeakPolarHBondContact OE2-CD 3.31Å; E616-R650 IonicContact OE2-CZ 3.3Å; E616-R650 IonicContact OE2-NE 3.74Å; E616-R650 IonicContact OE2-NH1 2.7Å; E616-R650 PolarHBondContact OE2-NH1 3.13Å; D620-R650 VanDerWaalsContact CG-NH2 3.34Å; D620-R650 IonicContact OD1-CZ 2.71Å; D620-R650 IonicContact OD1-NH1 3.76Å; D620-R650 IonicContact OD1-NH2 2.95Å; D620-R650 PolarHBondContact OD1-NH2 3.31Å; D620-R650 IonicContact OD2-CZ 3.87Å; D620-R650 IonicContact OD2-NH1 3.64Å; D620-R650 PolarHBondContact OD2-NH1 3.06Å; D620-R650 IonicContact OD2-NH2 3.51Å; D620-R650 PolarHBondContact OD2-NH2 2.96Å; G647-R650 PolarHBondContact O-N 2.93Å; R650-L652 PolarHBondContact O-N 3.3Å; R650-E653 HydrophobicContact CB-CB 4.42Å; R650-E653 IonicContact CZ-OE1 2.76Å; R650-E653 IonicContact CZ-OE2 2.9Å; R650-E653 IonicContact NE-OE1 3.66Å; R650-E653 IonicContact NE-OE2 3.74Å; R650-E653 PolarHBondContact NE-OE2 3.07Å; R650-E653 IonicContact NH2-OE1 2.69Å; R650-E653 PolarHBondContact NH2-OE1 2.93Å; R650-E653 IonicContact NH2-OE2 2.83Å; R650-E653 PolarHBondContact NH2-OE2 3.01Å; R650-E653 WeakPolarHBondContact O-CA 3.41Å; R650-E653 WeakPolarHBondContact O-CB 3.46Å; R650-E653 PolarHBondContact O-N 2.78Å; R650-F654 HydrophobicContact CB-CD2 3.96Å; R650-F654 HydrophobicContact CB-CE2 3.99Å; R650-F654 WeakPolarHBondContact O-CD2 3.49Å; R650-F654 PolarHBondContact O-N 2.93Å |
| 651 | L | 88.3 | Confident | 87 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -38.4 | -45.7 | 169.3 | 171.7 | 57 | 0 | 0 | 0 | 113.6 | H642 G647 V648 T655 | H642-L651 HydrophobicContact CB-CD1 3.85Å; G647-L651 PolarHBondContact O-N 3.37Å; V648-L651 WeakPolarHBondContact O-CB 3.49Å; L651-T655 VanDerWaalsContact O-CB 3.28Å; L651-T655 WeakPolarHBondContact O-CB 3.49Å; L651-T655 PolarHBondContact O-N 3.06Å; L651-T655 PolarHBondContact O-OG1 3.24Å |
| 652 | L | 89.3 | Confident | 87.2 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.4 | -28.9 | -175.2 | -58.6 | 176.1 | 0 | 0 | 0 | 112.7 | R650 A656 H682 N685 I688 | R650-L652 PolarHBondContact O-N 3.3Å; L652-A656 PolarHBondContact O-N 3.42Å; L652-H682 HydrophobicContact CD2-CB 4.1Å; L652-N685 WeakPolarHBondContact CD1-ND2 3.44Å; L652-I688 HydrophobicContact CB-CD1 3.83Å; L652-I688 HydrophobicContact CD2-CD1 3.92Å; L652-I688 HydrophobicContact CG-CD1 4.43Å; L652-I688 WeakPolarHBondContact O-CD1 3.18Å; L652-I688 VanDerWaalsContact O-CG1 3.31Å; L652-I688 WeakPolarHBondContact O-CG1 3.17Å |
| 653 | E | 91.5 | Very high | 87.4 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -53 | 171.1 | -178 | -170.5 | 162.4 | 0 | 0 | 110.6 | R650 T655 A656 Y657 L721 | R650-E653 HydrophobicContact CB-CB 4.42Å; R650-E653 IonicContact CZ-OE1 2.76Å; R650-E653 IonicContact CZ-OE2 2.9Å; R650-E653 IonicContact NE-OE1 3.66Å; R650-E653 IonicContact NE-OE2 3.74Å; R650-E653 PolarHBondContact NE-OE2 3.07Å; R650-E653 IonicContact NH2-OE1 2.69Å; R650-E653 PolarHBondContact NH2-OE1 2.93Å; R650-E653 IonicContact NH2-OE2 2.83Å; R650-E653 PolarHBondContact NH2-OE2 3.01Å; R650-E653 WeakPolarHBondContact O-CA 3.41Å; R650-E653 WeakPolarHBondContact O-CB 3.46Å; R650-E653 PolarHBondContact O-N 2.78Å; E653-T655 VanDerWaalsContact C-N 3.25Å; E653-T655 PolarHBondContact O-N 2.69Å; E653-A656 WeakPolarHBondContact O-CA 3.44Å; E653-A656 WeakPolarHBondContact O-CB 3.36Å; E653-A656 PolarHBondContact O-N 2.64Å; E653-Y657 HydrophobicContact CG-CD2 4.26Å; E653-Y657 HydrophobicContact CG-CE1 4.2Å; E653-Y657 HydrophobicContact CG-CE2 3.5Å; E653-Y657 VanDerWaalsContact CG-CZ 3.45Å; E653-Y657 WeakPolarHBondContact CG-OH 3.19Å; E653-Y657 PolarHBondContact O-N 2.99Å; E653-Y657 WeakPolarHBondContact OE1-CE2 3.37Å; E653-Y657 PolarHBondContact OE1-OH 2.73Å; E653-L721 VanDerWaalsContact CD-CD1 3.49Å; E653-L721 HydrophobicContact CG-CD1 3.89Å |
| 654 | F | 91.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -30.1 | 177.3 | -76.2 | -77.3 | 0 | 0 | 0 | 112.8 | E616 A619 F631 L638 R650 Y657 R658 | E616-F654 HydrophobicContact CB-CE2 4.31Å; E616-F654 HydrophobicContact CB-CZ 4.16Å; E616-F654 HydrophobicContact CG-CE2 3.64Å; E616-F654 HydrophobicContact CG-CZ 3.93Å; A619-F654 HydrophobicContact CB-CE1 3.78Å; A619-F654 HydrophobicContact CB-CZ 4.25Å; F631-F654 HydrophobicContact CE2-CD1 4.4Å; F631-F654 HydrophobicContact CE2-CE1 4.24Å; L638-F654 HydrophobicContact CD1-CD1 3.76Å; L638-F654 HydrophobicContact CD1-CD2 4.37Å; L638-F654 HydrophobicContact CD1-CE1 3.63Å; L638-F654 HydrophobicContact CD1-CE2 4.27Å; L638-F654 HydrophobicContact CD1-CG 4.14Å; L638-F654 HydrophobicContact CD1-CZ 3.92Å; R650-F654 HydrophobicContact CB-CD2 3.96Å; R650-F654 HydrophobicContact CB-CE2 3.99Å; R650-F654 WeakPolarHBondContact O-CD2 3.49Å; R650-F654 PolarHBondContact O-N 2.93Å; F654-Y657 HydrophobicContact CD1-CD2 4.07Å; F654-Y657 HydrophobicContact CE1-CD2 4.28Å; F654-Y657 PolarHBondContact O-N 2.57Å; F654-R658 VanDerWaalsContact O-CB 3.24Å; F654-R658 WeakPolarHBondContact O-CB 3.48Å; F654-R658 PolarHBondContact O-N 2.86Å |
| 655 | T | 91.5 | Very high | 88 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 20% | 0.202 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 170.4 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | L651 E653 L659 I674 L678 | L651-T655 VanDerWaalsContact O-CB 3.28Å; L651-T655 WeakPolarHBondContact O-CB 3.49Å; L651-T655 PolarHBondContact O-N 3.06Å; L651-T655 PolarHBondContact O-OG1 3.24Å; E653-T655 VanDerWaalsContact C-N 3.25Å; E653-T655 PolarHBondContact O-N 2.69Å; T655-L659 PolarHBondContact O-N 2.81Å; T655-I674 HydrophobicContact CG2-CG2 4.08Å; T655-L678 HydrophobicContact CG2-CD2 4.03Å |
| 656 | A | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L652 E653 R658 L659 L660 C687 I688 A691 | L652-A656 PolarHBondContact O-N 3.42Å; E653-A656 WeakPolarHBondContact O-CA 3.44Å; E653-A656 WeakPolarHBondContact O-CB 3.36Å; E653-A656 PolarHBondContact O-N 2.64Å; A656-R658 VanDerWaalsContact C-N 3.28Å; A656-R658 PolarHBondContact O-N 3.38Å; A656-L659 WeakPolarHBondContact O-CB 3.45Å; A656-L659 PolarHBondContact O-N 3.12Å; A656-L659 VanDerWaalsContact O-N 3.16Å; A656-L660 WeakPolarHBondContact O-CG 3.35Å; A656-L660 PolarHBondContact O-N 2.94Å; A656-C687 HydrophobicContact CB-CB 3.73Å; A656-C687 WeakPolarHBondContact CB-O 3.48Å; A656-I688 HydrophobicContact CB-CG1 4.04Å; A656-A691 HydrophobicContact CB-CB 4.13Å |
| 657 | Y | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 175.9 | -59.9 | -25.6 | 0 | 0 | 0 | 112.4 | L623 F631 E653 F654 L660 Y661 L721 R722 C723 V726 | L623-Y657 HydrophobicContact CD1-CD2 3.97Å; L623-Y657 HydrophobicContact CD1-CE2 3.85Å; F631-Y657 HydrophobicContact CE2-CD2 4.37Å; F631-Y657 HydrophobicContact CZ-CD2 4.31Å; F631-Y657 HydrophobicContact CZ-CG 4.4Å; E653-Y657 HydrophobicContact CG-CD2 4.26Å; E653-Y657 HydrophobicContact CG-CE1 4.2Å; E653-Y657 HydrophobicContact CG-CE2 3.5Å; E653-Y657 VanDerWaalsContact CG-CZ 3.45Å; E653-Y657 WeakPolarHBondContact CG-OH 3.19Å; E653-Y657 PolarHBondContact O-N 2.99Å; E653-Y657 WeakPolarHBondContact OE1-CE2 3.37Å; E653-Y657 PolarHBondContact OE1-OH 2.73Å; F654-Y657 HydrophobicContact CD1-CD2 4.07Å; F654-Y657 HydrophobicContact CE1-CD2 4.28Å; F654-Y657 PolarHBondContact O-N 2.57Å; Y657-L660 PolarHBondContact O-N 3.32Å; Y657-Y661 WeakPolarHBondContact O-CB 3.47Å; Y657-Y661 PolarHBondContact O-N 3.06Å; Y657-L721 WeakPolarHBondContact OH-CB 3.41Å; Y657-R722 HydrophobicContact CE1-CB 4.33Å; Y657-R722 HydrophobicContact CE2-CB 4.48Å; Y657-R722 WeakPolarHBondContact OH-CB 3.11Å; Y657-R722 PolarHBondContact OH-N 2.81Å; Y657-C723 HydrophobicContact CE1-CB 4.39Å; Y657-V726 HydrophobicContact CD1-CG2 3.85Å; Y657-V726 HydrophobicContact CG-CG2 4.06Å |
| 658 | R | 92.2 | Very high | 89.9 | Confident | 47 Ų | 47 | 31.7 Ų | 31.7 | 18% | 0.177 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 174.7 | -176.9 | 175.1 | 173.9 | -139.9 | -2.9 | 112.8 | Q635 L639 F654 A656 L660 Y661 Y662 I674 | Q635-R658 HydrophobicContact CG-CB 4.3Å; Q635-R658 HydrophobicContact CG-CG 4.49Å; L639-R658 VanDerWaalsContact CD1-NH1 3.31Å; F654-R658 VanDerWaalsContact O-CB 3.24Å; F654-R658 WeakPolarHBondContact O-CB 3.48Å; F654-R658 PolarHBondContact O-N 2.86Å; A656-R658 VanDerWaalsContact C-N 3.28Å; A656-R658 PolarHBondContact O-N 3.38Å; R658-L660 VanDerWaalsContact C-N 3.34Å; R658-Y661 PolarHBondContact O-N 3.33Å; R658-Y662 HydrophobicContact CG-CD2 4.34Å; R658-Y662 HydrophobicContact CG-CE2 3.9Å; R658-Y662 PolarHBondContact NE-OH 2.95Å; R658-Y662 PolarHBondContact NH2-OH 3.16Å; R658-Y662 PolarHBondContact O-N 2.89Å; R658-I674 HydrophobicContact CB-CD1 4.27Å; R658-I674 HydrophobicContact CG-CD1 3.75Å |
| 659 | L | 92.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 172.8 | 178.7 | 59.8 | 0 | 0 | 0 | 111.4 | T655 A656 Y662 I663 I671 I674 A691 L692 | T655-L659 PolarHBondContact O-N 2.81Å; A656-L659 WeakPolarHBondContact O-CB 3.45Å; A656-L659 PolarHBondContact O-N 3.12Å; A656-L659 VanDerWaalsContact O-N 3.16Å; L659-Y662 PolarHBondContact O-N 3.46Å; L659-I663 PolarHBondContact O-N 2.98Å; L659-I671 HydrophobicContact CD1-CB 4.35Å; L659-I671 HydrophobicContact CD1-CG1 4.27Å; L659-I671 HydrophobicContact CD1-CG2 3.98Å; L659-I674 HydrophobicContact CB-CD1 4.35Å; L659-I674 HydrophobicContact CB-CG2 4.4Å; L659-I674 HydrophobicContact CD1-CG2 4.44Å; L659-A691 HydrophobicContact CD2-CB 3.95Å; L659-A691 HydrophobicContact CG-CB 4.45Å; L659-L692 HydrophobicContact CD2-CD2 4.09Å |
| 660 | L | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 174.6 | -64.8 | 173.8 | 0 | 0 | 0 | 111.9 | A656 Y657 R658 Y662 I663 F664 A691 L694 C723 V726 V727 | A656-L660 WeakPolarHBondContact O-CG 3.35Å; A656-L660 PolarHBondContact O-N 2.94Å; Y657-L660 PolarHBondContact O-N 3.32Å; R658-L660 VanDerWaalsContact C-N 3.34Å; L660-Y662 VanDerWaalsContact C-N 3.32Å; L660-Y662 PolarHBondContact O-N 2.8Å; L660-I663 HydrophobicContact CD2-CD1 4.45Å; L660-I663 WeakPolarHBondContact O-CA 3.44Å; L660-I663 WeakPolarHBondContact O-CB 3.47Å; L660-I663 PolarHBondContact O-N 3.43Å; L660-F664 PolarHBondContact O-N 2.97Å; L660-A691 HydrophobicContact CD1-CB 4.46Å; L660-A691 HydrophobicContact CD2-CB 3.96Å; L660-A691 HydrophobicContact CG-CB 3.97Å; L660-L694 HydrophobicContact CD2-CB 4.47Å; L660-L694 HydrophobicContact CD2-CD2 3.48Å; L660-L694 VanDerWaalsContact CD2-CD2 3.48Å; L660-C723 HydrophobicContact CD1-CB 4.07Å; L660-V726 HydrophobicContact CB-CB 4.24Å; L660-V726 HydrophobicContact CB-CG1 3.49Å; L660-V726 VanDerWaalsContact CB-CG1 3.49Å; L660-V726 HydrophobicContact CD1-CB 4.28Å; L660-V726 HydrophobicContact CD1-CG1 4.42Å; L660-V727 HydrophobicContact CD1-CG2 4.1Å; L660-V727 HydrophobicContact CD2-CG2 3.94Å; L660-V727 HydrophobicContact CG-CG2 4.48Å |
| 661 | Y | 92.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 174.9 | -178.6 | -100.5 | 0 | 0 | 0 | 112.7 | H632 Y657 R658 I663 F664 T665 W729 | H632-Y661 HydrophobicContact CB-CE1 4.23Å; H632-Y661 HydrophobicContact CB-CE2 4.11Å; H632-Y661 AromaticContact CD2-CD1 4Å; H632-Y661 AromaticContact CD2-CE1 3.26Å; H632-Y661 WeakPolarHBondContact CD2-CE1 3.34Å; H632-Y661 AromaticContact CD2-CZ 3.66Å; H632-Y661 AromaticContact CG-CE1 3.68Å; H632-Y661 AromaticContact CG-CZ 3.53Å; H632-Y661 VanDerWaalsContact CG-OH 3.26Å; H632-Y661 PolarHBondContact ND1-OH 3.35Å; H632-Y661 AromaticContact NE2-CE1 3.6Å; Y657-Y661 WeakPolarHBondContact O-CB 3.47Å; Y657-Y661 PolarHBondContact O-N 3.06Å; R658-Y661 PolarHBondContact O-N 3.33Å; Y661-I663 VanDerWaalsContact C-N 3.31Å; Y661-F664 AromaticContact CD2-CD1 3.95Å; Y661-F664 HydrophobicContact CD2-CD1 3.95Å; Y661-F664 AromaticContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CE1 4.13Å; Y661-F664 CarbonylContact O-C 3.54Å; Y661-F664 WeakPolarHBondContact O-CA 3.38Å; Y661-F664 WeakPolarHBondContact O-CB 3.35Å; Y661-F664 PolarHBondContact O-N 2.99Å; Y661-T665 HydrophobicContact CD1-CG2 4.21Å; Y661-T665 HydrophobicContact CE1-CG2 3.6Å; Y661-T665 HydrophobicContact CE2-CG2 4.06Å; Y661-T665 PolarHBondContact O-N 2.76Å; Y661-T665 PolarHBondContact O-OG1 2.77Å; Y661-W729 HydrophobicContact CD2-CZ3 4.08Å |
| 662 | Y | 92.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.8 | -18.5 | 172.4 | -64.3 | -24.9 | 0 | 0 | 0 | 113.8 | R658 L659 L660 L666 D667 I674 | R658-Y662 HydrophobicContact CG-CD2 4.34Å; R658-Y662 HydrophobicContact CG-CE2 3.9Å; R658-Y662 PolarHBondContact NE-OH 2.95Å; R658-Y662 PolarHBondContact NH2-OH 3.16Å; R658-Y662 PolarHBondContact O-N 2.89Å; L659-Y662 PolarHBondContact O-N 3.46Å; L660-Y662 VanDerWaalsContact C-N 3.32Å; L660-Y662 PolarHBondContact O-N 2.8Å; Y662-L666 CarbonylContact O-C 3.39Å; Y662-L666 WeakPolarHBondContact O-CA 3.46Å; Y662-L666 PolarHBondContact O-N 3.25Å; Y662-D667 HydrophobicContact CD1-CB 4.43Å; Y662-D667 PolarHBondContact O-N 2.69Å; Y662-I674 HydrophobicContact CD2-CD1 3.64Å; Y662-I674 HydrophobicContact CE2-CD1 3.7Å; Y662-I674 HydrophobicContact CE2-CG1 4.4Å |
| 663 | I | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.9 | -36.8 | 164.3 | -59.8 | 166.9 | 0 | 0 | 0 | 110.2 | L659 L660 Y661 I671 R695 W698 F730 R733 | L659-I663 PolarHBondContact O-N 2.98Å; L660-I663 HydrophobicContact CD2-CD1 4.45Å; L660-I663 WeakPolarHBondContact O-CA 3.44Å; L660-I663 WeakPolarHBondContact O-CB 3.47Å; L660-I663 PolarHBondContact O-N 3.43Å; Y661-I663 VanDerWaalsContact C-N 3.31Å; I663-I671 HydrophobicContact CG1-CD1 3.75Å; I663-I671 HydrophobicContact CG1-CG1 4.45Å; I663-R695 HydrophobicContact CD1-CB 3.96Å; I663-R695 HydrophobicContact CD1-CG 4.29Å; I663-W698 HydrophobicContact CG1-CE3 4.36Å; I663-W698 HydrophobicContact CG2-CD2 3.66Å; I663-W698 HydrophobicContact CG2-CE3 4.07Å; I663-W698 HydrophobicContact CG2-CG 3.93Å; I663-W698 HydrophobicContact CG2-CZ2 4.27Å; I663-F730 HydrophobicContact CB-CE2 4.26Å; I663-F730 HydrophobicContact CB-CZ 3.97Å; I663-F730 HydrophobicContact CG2-CD2 4.15Å; I663-F730 HydrophobicContact CG2-CE2 3.44Å; I663-F730 VanDerWaalsContact CG2-CE2 3.44Å; I663-F730 HydrophobicContact CG2-CZ 3.67Å; I663-R733 PolarHBondContact O-NH2 3.43Å |
| 664 | F | 91.4 | Very high | 91.5 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 170.6 | 171.1 | -102.7 | 0 | 0 | 0 | 111.8 | F628 L660 Y661 L666 W729 F730 R733 | F628-F664 HydrophobicContact CB-CE1 4.38Å; F628-F664 HydrophobicContact CD1-CZ 4.17Å; F628-F664 AromaticContact CD2-CE1 3.72Å; F628-F664 HydrophobicContact CD2-CE1 3.72Å; F628-F664 AromaticContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CE1-CZ 4.39Å; F628-F664 HydrophobicContact CE2-CE1 4.18Å; F628-F664 HydrophobicContact CE2-CZ 4.21Å; F628-F664 AromaticContact CG-CE1 3.99Å; F628-F664 HydrophobicContact CG-CE1 3.99Å; F628-F664 AromaticContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CZ-CZ 4.42Å; L660-F664 PolarHBondContact O-N 2.97Å; Y661-F664 AromaticContact CD2-CD1 3.95Å; Y661-F664 HydrophobicContact CD2-CD1 3.95Å; Y661-F664 AromaticContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CE1 4.13Å; Y661-F664 CarbonylContact O-C 3.54Å; Y661-F664 WeakPolarHBondContact O-CA 3.38Å; Y661-F664 WeakPolarHBondContact O-CB 3.35Å; Y661-F664 PolarHBondContact O-N 2.99Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.06Å; F664-W729 HydrophobicContact CD2-CB 3.57Å; F664-W729 HydrophobicContact CE2-CB 3.66Å; F664-W729 HydrophobicContact CG-CB 4.4Å; F664-F730 HydrophobicContact CB-CD1 3.65Å; F664-F730 HydrophobicContact CB-CE1 4.08Å; F664-F730 HydrophobicContact CB-CG 4.43Å; F664-F730 HydrophobicContact CD2-CB 4.03Å; F664-F730 HydrophobicContact CD2-CD1 4.11Å; F664-F730 HydrophobicContact CG-CD1 4.38Å; F664-R733 PolarHBondContact O-NH1 3.29Å |
| 665 | T | 90.2 | Very high | 91.4 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.7 | -179.4 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | V297 Y661 D667 | V297-T665 HydrophobicContact CG2-CG2 4.02Å; Y661-T665 HydrophobicContact CD1-CG2 4.21Å; Y661-T665 HydrophobicContact CE1-CG2 3.6Å; Y661-T665 HydrophobicContact CE2-CG2 4.06Å; Y661-T665 PolarHBondContact O-N 2.76Å; Y661-T665 PolarHBondContact O-OG1 2.77Å; T665-D667 VanDerWaalsContact C-N 3.25Å; T665-D667 PolarHBondContact O-N 3.37Å |
| 666 | L | 89.3 | Confident | 91.3 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 21.5 | -175.6 | -56.9 | 171.2 | 0 | 0 | 0 | 114.8 | Y662 F664 I668 W698 | Y662-L666 CarbonylContact O-C 3.39Å; Y662-L666 WeakPolarHBondContact O-CA 3.46Å; Y662-L666 PolarHBondContact O-N 3.25Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.06Å; L666-I668 VanDerWaalsContact C-N 3.35Å; L666-I668 PolarHBondContact O-N 3.2Å; L666-W698 HydrophobicContact CD2-CH2 4.1Å; L666-W698 HydrophobicContact CD2-CZ2 3.53Å |
| 667 | D | 90.2 | Very high | 91 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | trans | -76.6 | 81.8 | 176.6 | -168.6 | 1.6 | 0 | 0 | 0 | 112 | R299 Y662 T665 L669 G670 I671 | R299-D667 IonicContact CZ-OD1 2.64Å; R299-D667 IonicContact CZ-OD2 2.64Å; R299-D667 VanDerWaalsContact CZ-OD2 3.3Å; R299-D667 IonicContact NE-OD1 2.74Å; R299-D667 IonicContact NE-OD2 3.7Å; R299-D667 PolarHBondContact NE-OD2 2.93Å; R299-D667 IonicContact NH2-OD1 3.68Å; R299-D667 PolarHBondContact NH2-OD1 3.44Å; R299-D667 IonicContact NH2-OD2 2.73Å; R299-D667 PolarHBondContact NH2-OD2 3.02Å; Y662-D667 HydrophobicContact CD1-CB 4.43Å; Y662-D667 PolarHBondContact O-N 2.69Å; T665-D667 VanDerWaalsContact C-N 3.25Å; T665-D667 PolarHBondContact O-N 3.37Å; D667-L669 PolarHBondContact O-N 3.05Å; D667-L669 VanDerWaalsContact O-N 3.17Å; D667-L669 WeakPolarHBondContact OD1-CB 3.45Å; D667-L669 PolarHBondContact OD1-N 2.97Å; D667-L669 VanDerWaalsContact OD1-N 3.17Å; D667-G670 PolarHBondContact O-N 3.27Å; D667-G670 VanDerWaalsContact O-N 3.08Å; D667-G670 PolarHBondContact OD1-N 3.46Å; D667-G670 VanDerWaalsContact OD1-N 3.15Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 2.95Å | ||
| 668 | I | 90 | Very high | 90.7 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 38% | 0.379 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.3 | -33.5 | 176.5 | -45.1 | 176.9 | 0 | 0 | 0 | 111.6 | I290 L666 N672 | I290-I668 HydrophobicContact CD1-CD1 3.72Å; I290-I668 HydrophobicContact CD1-CG1 4.43Å; L666-I668 VanDerWaalsContact C-N 3.35Å; L666-I668 PolarHBondContact O-N 3.2Å; I668-N672 WeakPolarHBondContact O-CB 3.28Å; I668-N672 VanDerWaalsContact O-CG 3.27Å; I668-N672 PolarHBondContact O-N 3Å; I668-N672 PolarHBondContact O-ND2 3.28Å |
| 669 | L | 91 | Very high | 90.3 | Very high | 108 Ų | 108 | 42.6 Ų | 42.6 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68.1 | -49.6 | 177.7 | -173.6 | 67.6 | 0 | 0 | 0 | 109.9 | D667 I671 N672 T673 | D667-L669 PolarHBondContact O-N 3.05Å; D667-L669 VanDerWaalsContact O-N 3.17Å; D667-L669 WeakPolarHBondContact OD1-CB 3.45Å; D667-L669 PolarHBondContact OD1-N 2.97Å; D667-L669 VanDerWaalsContact OD1-N 3.17Å; L669-I671 VanDerWaalsContact C-N 3.34Å; L669-I671 PolarHBondContact O-N 3.25Å; L669-N672 PolarHBondContact O-N 2.91Å; L669-N672 VanDerWaalsContact O-N 3.08Å; L669-T673 PolarHBondContact O-N 3.21Å; L669-T673 PolarHBondContact O-OG1 3.33Å; L669-T673 VanDerWaalsContact O-OG1 3.06Å |
| 670 | G | 89.4 | Confident | 89.8 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D667 N672 T673 I674 | D667-G670 PolarHBondContact O-N 3.27Å; D667-G670 VanDerWaalsContact O-N 3.08Å; D667-G670 PolarHBondContact OD1-N 3.46Å; D667-G670 VanDerWaalsContact OD1-N 3.15Å; G670-N672 PolarHBondContact O-N 2.99Å; G670-T673 PolarHBondContact O-N 2.95Å; G670-I674 WeakPolarHBondContact O-CG1 3.31Å; G670-I674 PolarHBondContact O-N 3.3Å; G670-I674 VanDerWaalsContact O-N 3.13Å |
| 671 | I | 91.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55 | -52.4 | 171.4 | -69.7 | 174.8 | 0 | 0 | 0 | 110.1 | L659 I663 D667 L669 T673 I674 M675 R695 W698 | L659-I671 HydrophobicContact CD1-CB 4.35Å; L659-I671 HydrophobicContact CD1-CG1 4.27Å; L659-I671 HydrophobicContact CD1-CG2 3.98Å; I663-I671 HydrophobicContact CG1-CD1 3.75Å; I663-I671 HydrophobicContact CG1-CG1 4.45Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 2.95Å; L669-I671 VanDerWaalsContact C-N 3.34Å; L669-I671 PolarHBondContact O-N 3.25Å; I671-T673 PolarHBondContact O-N 3.5Å; I671-I674 PolarHBondContact O-N 3.23Å; I671-M675 HydrophobicContact CG2-CG 4.34Å; I671-M675 VanDerWaalsContact O-CG 3.3Å; I671-M675 WeakPolarHBondContact O-CG 3.48Å; I671-M675 PolarHBondContact O-N 3.44Å; I671-R695 HydrophobicContact CG2-CG 4.32Å; I671-W698 HydrophobicContact CD1-CZ3 4.14Å |
| 672 | N | 92.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70 | -32.6 | -175.3 | -70.9 | -14.6 | 0 | 0 | 0 | 112.8 | I668 L669 G670 I674 M675 A676 R695 | I668-N672 WeakPolarHBondContact O-CB 3.28Å; I668-N672 VanDerWaalsContact O-CG 3.27Å; I668-N672 PolarHBondContact O-N 3Å; I668-N672 PolarHBondContact O-ND2 3.28Å; L669-N672 PolarHBondContact O-N 2.91Å; L669-N672 VanDerWaalsContact O-N 3.08Å; G670-N672 PolarHBondContact O-N 2.99Å; N672-I674 VanDerWaalsContact C-N 3.35Å; N672-M675 PolarHBondContact O-N 2.96Å; N672-A676 WeakPolarHBondContact O-CB 3.3Å; N672-A676 PolarHBondContact O-N 3.06Å; N672-R695 PolarHBondContact OD1-NH2 3.04Å |
| 673 | T | 91.2 | Very high | 88.8 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 171 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L669 G670 I671 A676 G677 | L669-T673 PolarHBondContact O-N 3.21Å; L669-T673 PolarHBondContact O-OG1 3.33Å; L669-T673 VanDerWaalsContact O-OG1 3.06Å; G670-T673 PolarHBondContact O-N 2.95Å; I671-T673 PolarHBondContact O-N 3.5Å; T673-A676 PolarHBondContact O-N 2.96Å; T673-G677 PolarHBondContact O-N 3.16Å; T673-G677 VanDerWaalsContact O-N 3.16Å |
| 674 | I | 90.2 | Very high | 88.5 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 174 | -66.9 | 173.8 | 0 | 0 | 0 | 110.6 | T655 R658 L659 Y662 G670 I671 N672 A676 G677 L678 | T655-I674 HydrophobicContact CG2-CG2 4.08Å; R658-I674 HydrophobicContact CB-CD1 4.27Å; R658-I674 HydrophobicContact CG-CD1 3.75Å; L659-I674 HydrophobicContact CB-CD1 4.35Å; L659-I674 HydrophobicContact CB-CG2 4.4Å; L659-I674 HydrophobicContact CD1-CG2 4.44Å; Y662-I674 HydrophobicContact CD2-CD1 3.64Å; Y662-I674 HydrophobicContact CE2-CD1 3.7Å; Y662-I674 HydrophobicContact CE2-CG1 4.4Å; G670-I674 WeakPolarHBondContact O-CG1 3.31Å; G670-I674 PolarHBondContact O-N 3.3Å; G670-I674 VanDerWaalsContact O-N 3.13Å; I671-I674 PolarHBondContact O-N 3.23Å; N672-I674 VanDerWaalsContact C-N 3.35Å; I674-A676 PolarHBondContact O-N 3.16Å; I674-G677 PolarHBondContact O-N 3.36Å; I674-L678 HydrophobicContact CG2-CD1 3.92Å; I674-L678 HydrophobicContact CG2-CG 4.08Å; I674-L678 WeakPolarHBondContact O-CG 3.35Å; I674-L678 PolarHBondContact O-N 2.91Å |
| 675 | M | 90 | Very high | 88.3 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.4 | -38 | 177.3 | -69 | -65.1 | -59.6 | 0 | 0 | 112.8 | I671 N672 L692 | I671-M675 HydrophobicContact CG2-CG 4.34Å; I671-M675 VanDerWaalsContact O-CG 3.3Å; I671-M675 WeakPolarHBondContact O-CG 3.48Å; I671-M675 PolarHBondContact O-N 3.44Å; N672-M675 PolarHBondContact O-N 2.96Å; M675-L692 HydrophobicContact CE-CD2 3.84Å; M675-L692 HydrophobicContact SD-CD2 3.32Å; M675-L692 WeakPolarHBondContact SD-CD2 3.43Å |
| 676 | A | 89.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 67 Ų | 67 | 75% | 0.752 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.1 | -31.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N672 T673 I674 | N672-A676 WeakPolarHBondContact O-CB 3.3Å; N672-A676 PolarHBondContact O-N 3.06Å; T673-A676 PolarHBondContact O-N 2.96Å; I674-A676 PolarHBondContact O-N 3.16Å |
| 677 | G | 86.4 | Confident | 88.3 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -81.2 | -14.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T673 I674 R679 | T673-G677 PolarHBondContact O-N 3.16Å; T673-G677 VanDerWaalsContact O-N 3.16Å; I674-G677 PolarHBondContact O-N 3.36Å; G677-R679 PolarHBondContact O-N 3.49Å; G677-R679 VanDerWaalsContact O-N 3.16Å |
| 678 | L | 86.6 | Confident | 88.3 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | trans | -78.8 | 97.7 | -176.8 | -78.7 | 173.9 | 0 | 0 | 0 | 112.7 | T655 I674 H682 I688 L692 | T655-L678 HydrophobicContact CG2-CD2 4.03Å; I674-L678 HydrophobicContact CG2-CD1 3.92Å; I674-L678 HydrophobicContact CG2-CG 4.08Å; I674-L678 WeakPolarHBondContact O-CG 3.35Å; I674-L678 PolarHBondContact O-N 2.91Å; L678-H682 HydrophobicContact CD2-CB 3.84Å; L678-I688 HydrophobicContact CD1-CG2 4.17Å; L678-I688 HydrophobicContact CD2-CD1 3.97Å; L678-I688 HydrophobicContact CD2-CG2 4.16Å; L678-L692 HydrophobicContact CD1-CD2 4.25Å | ||
| 679 | R | 85 | Confident | 88.4 | Confident | 175 Ų | 175 | 62.6 Ų | 62.6 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | trans | -53.5 | 150.2 | 166.9 | -67.3 | -177.6 | 174.4 | -173.6 | -1.5 | 111.2 | G677 T681 H682 | G677-R679 PolarHBondContact O-N 3.49Å; G677-R679 VanDerWaalsContact O-N 3.16Å; R679-T681 PolarHBondContact O-N 3.16Å; R679-H682 WeakPolarHBondContact O-CB 3.34Å; R679-H682 PolarHBondContact O-N 3.09Å | ||
| 680 | P | 81.6 | Confident | 88.4 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 66% | 0.662 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -58.9 | -34.6 | 178.9 | 23.6 | -33.6 | 0 | 0 | 0 | 112.7 | H682 K683 | P680-H682 PolarHBondContact O-N 3.4Å; P680-K683 WeakPolarHBondContact O-CB 3.21Å; P680-K683 PolarHBondContact O-N 2.84Å |
| 681 | T | 85.6 | Confident | 88.6 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 58% | 0.577 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -59.9 | -21.6 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 114 | R679 T684 | R679-T681 PolarHBondContact O-N 3.16Å; T681-T684 PolarHBondContact O-OG1 3.47Å |
| 682 | H | 86.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 22% | 0.222 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -80.8 | -24.9 | 177.5 | -57.8 | -177.4 | 0 | 0 | 0 | 111.1 | L652 L678 R679 P680 T684 N685 I688 | L652-H682 HydrophobicContact CD2-CB 4.1Å; L678-H682 HydrophobicContact CD2-CB 3.84Å; R679-H682 WeakPolarHBondContact O-CB 3.34Å; R679-H682 PolarHBondContact O-N 3.09Å; P680-H682 PolarHBondContact O-N 3.4Å; H682-T684 VanDerWaalsContact C-N 3.28Å; H682-T684 PolarHBondContact O-N 3.35Å; H682-N685 PolarHBondContact O-N 3.06Å; H682-N685 PolarHBondContact O-ND2 3.45Å; H682-I688 HydrophobicContact CB-CD1 3.96Å; H682-I688 WeakPolarHBondContact O-CD1 3.23Å |
| 683 | K | 84.3 | Confident | 88.6 | Confident | 102 Ų | 102 | 60.2 Ų | 60.2 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.8 | -174.1 | -57.2 | -178.7 | -178.1 | 175.1 | 0 | 114.1 | P680 N685 L692 | P680-K683 WeakPolarHBondContact O-CB 3.21Å; P680-K683 PolarHBondContact O-N 2.84Å; K683-N685 VanDerWaalsContact C-N 3.34Å; K683-L692 HydrophobicContact CB-CD1 4.39Å; K683-L692 HydrophobicContact CD-CD1 4.4Å; K683-L692 HydrophobicContact CG-CD1 4Å |
| 684 | T | 86.1 | Confident | 88.6 | Confident | 114 Ų | 114 | 57 Ų | 57 | 70% | 0.699 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.8 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | T681 H682 | T681-T684 PolarHBondContact O-OG1 3.47Å; H682-T684 VanDerWaalsContact C-N 3.28Å; H682-T684 PolarHBondContact O-N 3.35Å |
| 685 | N | 88.6 | Confident | 88.7 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -64.6 | 136 | -176.7 | -65.3 | -89.8 | 0 | 0 | 0 | 111 | L652 H682 K683 C687 I688 S689 | L652-N685 WeakPolarHBondContact CD1-ND2 3.44Å; H682-N685 PolarHBondContact O-N 3.06Å; H682-N685 PolarHBondContact O-ND2 3.45Å; K683-N685 VanDerWaalsContact C-N 3.34Å; N685-C687 VanDerWaalsContact C-N 3.34Å; N685-C687 PolarHBondContact O-N 3.1Å; N685-I688 HydrophobicContact CB-CB 4.43Å; N685-I688 PolarHBondContact O-N 3.2Å; N685-S689 VanDerWaalsContact O-CB 3.3Å; N685-S689 WeakPolarHBondContact O-CB 3.5Å; N685-S689 PolarHBondContact O-N 3.38Å |
| 686 | P | 88.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 57.7 Ų | 57.7 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59 | -43.3 | -174.5 | 21.8 | -32.3 | 0 | 0 | 0 | 112.1 | I688 S689 F690 P720 | P686-I688 PolarHBondContact O-N 3.49Å; P686-S689 PolarHBondContact O-N 2.69Å; P686-F690 WeakPolarHBondContact O-CB 3.27Å; P686-F690 PolarHBondContact O-N 3.43Å; P686-P720 HydrophobicContact CB-CB 4.16Å; P686-P720 HydrophobicContact CB-CG 4.29Å |
| 687 | C | 89.3 | Confident | 88.8 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 180 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | A656 N685 A691 | A656-C687 HydrophobicContact CB-CB 3.73Å; A656-C687 WeakPolarHBondContact CB-O 3.48Å; N685-C687 VanDerWaalsContact C-N 3.34Å; N685-C687 PolarHBondContact O-N 3.1Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.12Å |
| 688 | I | 92 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.6 | -43.4 | 178.2 | -65.6 | 178.1 | 0 | 0 | 0 | 110.2 | L652 A656 L678 H682 N685 P686 F690 A691 L692 | L652-I688 HydrophobicContact CB-CD1 3.83Å; L652-I688 HydrophobicContact CD2-CD1 3.92Å; L652-I688 HydrophobicContact CG-CD1 4.43Å; L652-I688 WeakPolarHBondContact O-CD1 3.18Å; L652-I688 VanDerWaalsContact O-CG1 3.31Å; L652-I688 WeakPolarHBondContact O-CG1 3.17Å; A656-I688 HydrophobicContact CB-CG1 4.04Å; L678-I688 HydrophobicContact CD1-CG2 4.17Å; L678-I688 HydrophobicContact CD2-CD1 3.97Å; L678-I688 HydrophobicContact CD2-CG2 4.16Å; H682-I688 HydrophobicContact CB-CD1 3.96Å; H682-I688 WeakPolarHBondContact O-CD1 3.23Å; N685-I688 HydrophobicContact CB-CB 4.43Å; N685-I688 PolarHBondContact O-N 3.2Å; P686-I688 PolarHBondContact O-N 3.49Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 2.87Å; I688-A691 PolarHBondContact O-N 3.45Å; I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.19Å; I688-L692 WeakPolarHBondContact O-CB 3.44Å; I688-L692 WeakPolarHBondContact O-CG 3.28Å; I688-L692 PolarHBondContact O-N 3.02Å |
| 689 | S | 91 | Very high | 89.2 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -44 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | N685 P686 K693 | N685-S689 VanDerWaalsContact O-CB 3.3Å; N685-S689 WeakPolarHBondContact O-CB 3.5Å; N685-S689 PolarHBondContact O-N 3.38Å; P686-S689 PolarHBondContact O-N 2.69Å; S689-K693 WeakPolarHBondContact O-CB 3.4Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.83Å; S689-K693 WeakPolarHBondContact OG-CE 3.45Å; S689-K693 PolarHBondContact OG-NZ 3.4Å |
| 690 | F | 91.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -54 | 173.9 | 178.7 | -96.9 | 0 | 0 | 0 | 112.1 | P686 I688 L692 K693 L694 L709 L710 P719 P720 C723 | P686-F690 WeakPolarHBondContact O-CB 3.27Å; P686-F690 PolarHBondContact O-N 3.43Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 2.87Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 3.29Å; F690-K693 PolarHBondContact O-N 3.46Å; F690-K693 VanDerWaalsContact O-N 3.11Å; F690-L694 HydrophobicContact CZ-CD1 4.32Å; F690-L694 PolarHBondContact O-N 3.27Å; F690-L709 HydrophobicContact CE2-CB 4.11Å; F690-L709 VanDerWaalsContact CE2-O 3.31Å; F690-L709 WeakPolarHBondContact CE2-O 3.24Å; F690-L710 HydrophobicContact CZ-CD2 4.11Å; F690-P719 HydrophobicContact CD2-CB 4.43Å; F690-P719 HydrophobicContact CE1-CB 4.26Å; F690-P719 HydrophobicContact CE2-CB 3.75Å; F690-P719 HydrophobicContact CZ-CB 3.66Å; F690-P720 HydrophobicContact CB-CG 3.8Å; F690-P720 HydrophobicContact CG-CG 4.14Å; F690-C723 HydrophobicContact CD1-CB 3.84Å; F690-C723 HydrophobicContact CE1-CB 3.82Å |
| 691 | A | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -33.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A656 L659 L660 C687 I688 R695 | A656-A691 HydrophobicContact CB-CB 4.13Å; L659-A691 HydrophobicContact CD2-CB 3.95Å; L659-A691 HydrophobicContact CG-CB 4.45Å; L660-A691 HydrophobicContact CD1-CB 4.46Å; L660-A691 HydrophobicContact CD2-CB 3.96Å; L660-A691 HydrophobicContact CG-CB 3.97Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.12Å; I688-A691 PolarHBondContact O-N 3.45Å; A691-R695 WeakPolarHBondContact O-CB 3.21Å; A691-R695 PolarHBondContact O-N 3.37Å |
| 692 | L | 92.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 173 | -69.9 | 173.8 | 0 | 0 | 0 | 113 | L659 M675 L678 K683 I688 F690 S696 | L659-L692 HydrophobicContact CD2-CD2 4.09Å; M675-L692 HydrophobicContact CE-CD2 3.84Å; M675-L692 HydrophobicContact SD-CD2 3.32Å; M675-L692 WeakPolarHBondContact SD-CD2 3.43Å; L678-L692 HydrophobicContact CD1-CD2 4.25Å; K683-L692 HydrophobicContact CB-CD1 4.39Å; K683-L692 HydrophobicContact CD-CD1 4.4Å; K683-L692 HydrophobicContact CG-CD1 4Å; I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.19Å; I688-L692 WeakPolarHBondContact O-CB 3.44Å; I688-L692 WeakPolarHBondContact O-CG 3.28Å; I688-L692 PolarHBondContact O-N 3.02Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 3.29Å; L692-S696 PolarHBondContact O-N 2.98Å; L692-S696 PolarHBondContact O-OG 3.23Å |
| 693 | K | 91.3 | Very high | 90.1 | Very high | 98 Ų | 98 | 46.7 Ų | 46.7 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 173.2 | -72.3 | 164.1 | -174.6 | 173.4 | 0 | 111.1 | S689 F690 S696 A697 L709 | S689-K693 WeakPolarHBondContact O-CB 3.4Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.83Å; S689-K693 WeakPolarHBondContact OG-CE 3.45Å; S689-K693 PolarHBondContact OG-NZ 3.4Å; F690-K693 PolarHBondContact O-N 3.46Å; F690-K693 VanDerWaalsContact O-N 3.11Å; K693-S696 PolarHBondContact O-N 2.98Å; K693-S696 PolarHBondContact O-OG 3.26Å; K693-A697 WeakPolarHBondContact O-CB 3.44Å; K693-A697 PolarHBondContact O-N 3.1Å; K693-L709 HydrophobicContact CB-CD1 3.98Å; K693-L709 HydrophobicContact CB-CD2 4.24Å |
| 694 | L | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.5 | -45.3 | 176.7 | -161.1 | 84.6 | 0 | 0 | 0 | 111.4 | L660 F690 S696 A697 W698 F706 L709 L710 V727 F730 | L660-L694 HydrophobicContact CD2-CB 4.47Å; L660-L694 HydrophobicContact CD2-CD2 3.48Å; L660-L694 VanDerWaalsContact CD2-CD2 3.48Å; F690-L694 HydrophobicContact CZ-CD1 4.32Å; F690-L694 PolarHBondContact O-N 3.27Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.42Å; L694-A697 PolarHBondContact O-N 3.22Å; L694-W698 VanDerWaalsContact O-CB 3.24Å; L694-W698 WeakPolarHBondContact O-CB 3.22Å; L694-W698 PolarHBondContact O-N 3.07Å; L694-F706 HydrophobicContact CD1-CD2 3.6Å; L694-F706 HydrophobicContact CD1-CE2 3.71Å; L694-F706 HydrophobicContact CD1-CG 4.32Å; L694-F706 HydrophobicContact CD2-CE2 3.89Å; L694-F706 HydrophobicContact CG-CD2 3.83Å; L694-F706 HydrophobicContact CG-CE2 3.69Å; L694-L709 HydrophobicContact CD1-CB 4.05Å; L694-L709 HydrophobicContact CD1-CD1 4.25Å; L694-L710 HydrophobicContact CD1-CD2 4.27Å; L694-L710 HydrophobicContact CD1-CG 4.19Å; L694-V727 HydrophobicContact CD2-CB 4.46Å; L694-V727 HydrophobicContact CD2-CG1 4.03Å; L694-V727 HydrophobicContact CD2-CG2 3.49Å; L694-V727 VanDerWaalsContact CD2-CG2 3.49Å; L694-F730 HydrophobicContact CD2-CZ 4.36Å |
| 695 | R | 92.1 | Very high | 90.3 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 173.6 | -175.2 | -149.5 | 173.8 | -81.1 | 5.7 | 111.3 | I663 I671 N672 A691 S699 | I663-R695 HydrophobicContact CD1-CB 3.96Å; I663-R695 HydrophobicContact CD1-CG 4.29Å; I671-R695 HydrophobicContact CG2-CG 4.32Å; N672-R695 PolarHBondContact OD1-NH2 3.04Å; A691-R695 WeakPolarHBondContact O-CB 3.21Å; A691-R695 PolarHBondContact O-N 3.37Å; R695-S699 VanDerWaalsContact O-CB 3.22Å; R695-S699 WeakPolarHBondContact O-CB 3.22Å; R695-S699 PolarHBondContact O-N 2.86Å; R695-S699 PolarHBondContact O-OG 3.36Å; R695-S699 VanDerWaalsContact O-OG 3.05Å |
| 696 | S | 91.7 | Very high | 90.3 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -47 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | L692 K693 L694 W698 S699 L700 | L692-S696 PolarHBondContact O-N 2.98Å; L692-S696 PolarHBondContact O-OG 3.23Å; K693-S696 PolarHBondContact O-N 2.98Å; K693-S696 PolarHBondContact O-OG 3.26Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.42Å; S696-W698 PolarHBondContact O-N 2.92Å; S696-S699 WeakPolarHBondContact CA-OG 3.24Å; S696-S699 PolarHBondContact O-N 3.25Å; S696-S699 PolarHBondContact O-OG 2.82Å; S696-L700 WeakPolarHBondContact O-CG 3.38Å; S696-L700 PolarHBondContact O-N 3.05Å |
| 697 | A | 91.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K693 L694 L700 S701 N702 R705 F706 L709 | K693-A697 WeakPolarHBondContact O-CB 3.44Å; K693-A697 PolarHBondContact O-N 3.1Å; L694-A697 PolarHBondContact O-N 3.22Å; A697-L700 PolarHBondContact O-N 2.85Å; A697-S701 PolarHBondContact O-N 2.88Å; A697-N702 PolarHBondContact O-N 3.29Å; A697-R705 HydrophobicContact CB-CB 4.08Å; A697-R705 HydrophobicContact CB-CG 4.03Å; A697-F706 HydrophobicContact CB-CB 4.39Å; A697-L709 HydrophobicContact CB-CD1 4.3Å |
| 698 | W | 91.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 175 | 176.8 | 75.4 | 0 | 0 | 0 | 112 | I663 L666 I671 L694 S696 L700 S701 F706 E734 | I663-W698 HydrophobicContact CG1-CE3 4.36Å; I663-W698 HydrophobicContact CG2-CD2 3.66Å; I663-W698 HydrophobicContact CG2-CE3 4.07Å; I663-W698 HydrophobicContact CG2-CG 3.93Å; I663-W698 HydrophobicContact CG2-CZ2 4.27Å; L666-W698 HydrophobicContact CD2-CH2 4.1Å; L666-W698 HydrophobicContact CD2-CZ2 3.53Å; I671-W698 HydrophobicContact CD1-CZ3 4.14Å; L694-W698 VanDerWaalsContact O-CB 3.24Å; L694-W698 WeakPolarHBondContact O-CB 3.22Å; L694-W698 PolarHBondContact O-N 3.07Å; S696-W698 PolarHBondContact O-N 2.92Å; W698-L700 PolarHBondContact O-N 2.93Å; W698-S701 PolarHBondContact O-N 3.21Å; W698-F706 HydrophobicContact CB-CD2 4.24Å; W698-F706 HydrophobicContact CB-CE2 4.44Å; W698-E734 VanDerWaalsContact CD1-CD 3.47Å; W698-E734 VanDerWaalsContact NE1-CD 3.27Å; W698-E734 PolarHBondContact NE1-OE1 3.35Å; W698-E734 PolarHBondContact NE1-OE2 3.05Å |
| 699 | S | 89.4 | Confident | 89.9 | Confident | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.4 | -23.1 | -178.7 | 67 | 0 | 0 | 0 | 0 | 114.1 | F288 R695 S696 | F288-S699 VanDerWaalsContact CE1-O 3.27Å; F288-S699 WeakPolarHBondContact CE1-O 3.35Å; R695-S699 VanDerWaalsContact O-CB 3.22Å; R695-S699 WeakPolarHBondContact O-CB 3.22Å; R695-S699 PolarHBondContact O-N 2.86Å; R695-S699 PolarHBondContact O-OG 3.36Å; R695-S699 VanDerWaalsContact O-OG 3.05Å; S696-S699 WeakPolarHBondContact CA-OG 3.24Å; S696-S699 PolarHBondContact O-N 3.25Å; S696-S699 PolarHBondContact O-OG 2.82Å |
| 700 | L | 89.8 | Confident | 89.4 | Confident | 128 Ų | 128 | 49.6 Ų | 49.6 | 67% | 0.67 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4 | 174.2 | -65.7 | 171.8 | 0 | 0 | 0 | 112.9 | S696 A697 W698 N702 | S696-L700 WeakPolarHBondContact O-CG 3.38Å; S696-L700 PolarHBondContact O-N 3.05Å; A697-L700 PolarHBondContact O-N 2.85Å; W698-L700 PolarHBondContact O-N 2.93Å; L700-N702 HydrophobicContact CB-CB 4.4Å; L700-N702 PolarHBondContact O-N 3.39Å; L700-N702 VanDerWaalsContact O-N 3.13Å |
| 701 | S | 87.3 | Confident | 88.9 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 27.5 | -170.2 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | A697 W698 Y703 | A697-S701 PolarHBondContact O-N 2.88Å; W698-S701 PolarHBondContact O-N 3.21Å; S701-Y703 VanDerWaalsContact C-N 3.32Å; S701-Y703 WeakPolarHBondContact O-CD2 3.48Å; S701-Y703 WeakPolarHBondContact O-CE2 3.46Å; S701-Y703 PolarHBondContact O-N 3.33Å |
| 702 | N | 90.7 | Very high | 88.1 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | trans | -85.3 | 78.4 | -179.4 | -171.3 | -29 | 0 | 0 | 0 | 109.7 | A697 L700 H704 R705 F706 | A697-N702 PolarHBondContact O-N 3.29Å; L700-N702 HydrophobicContact CB-CB 4.4Å; L700-N702 PolarHBondContact O-N 3.39Å; L700-N702 VanDerWaalsContact O-N 3.13Å; N702-H704 VanDerWaalsContact C-N 3.26Å; N702-H704 PolarHBondContact O-N 3.18Å; N702-R705 HydrophobicContact CB-CB 4.31Å; N702-R705 PolarHBondContact O-N 3.24Å; N702-R705 WeakPolarHBondContact OD1-CB 3.2Å; N702-R705 PolarHBondContact OD1-N 3.21Å; N702-F706 WeakPolarHBondContact O-CB 3.38Å; N702-F706 PolarHBondContact O-N 2.93Å | ||
| 703 | Y | 89 | Confident | 86.9 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -33.4 | -178.1 | -58.4 | -68.5 | 0 | 0 | 0 | 113 | S701 F706 F707 E734 A738 L741 | S701-Y703 VanDerWaalsContact C-N 3.32Å; S701-Y703 WeakPolarHBondContact O-CD2 3.48Å; S701-Y703 WeakPolarHBondContact O-CE2 3.46Å; S701-Y703 PolarHBondContact O-N 3.33Å; Y703-F706 PolarHBondContact O-N 2.93Å; Y703-F707 WeakPolarHBondContact O-CD2 3.47Å; Y703-F707 PolarHBondContact O-N 3.34Å; Y703-E734 HydrophobicContact CE1-CB 4.4Å; Y703-A738 HydrophobicContact CD1-CB 3.67Å; Y703-A738 HydrophobicContact CD2-CB 3.6Å; Y703-A738 HydrophobicContact CE1-CB 4.08Å; Y703-A738 HydrophobicContact CE2-CB 4.02Å; Y703-A738 HydrophobicContact CG-CB 3.4Å; Y703-A738 VanDerWaalsContact CG-CB 3.4Å; Y703-L741 HydrophobicContact CD2-CD2 4.4Å; Y703-L741 HydrophobicContact CE2-CB 4.28Å; Y703-L741 HydrophobicContact CE2-CD2 3.8Å |
| 704 | H | 87.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 59.9 Ų | 59.9 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.2 | -54 | 175.1 | -172.6 | -87.4 | 0 | 0 | 0 | 110.8 | N702 F706 F707 Q708 | N702-H704 VanDerWaalsContact C-N 3.26Å; N702-H704 PolarHBondContact O-N 3.18Å; H704-F706 VanDerWaalsContact C-N 3.3Å; H704-F706 PolarHBondContact O-N 2.95Å; H704-F707 PolarHBondContact O-N 3.5Å; H704-Q708 PolarHBondContact CE1-NE2 3.15Å; H704-Q708 PolarHBondContact CE1-OE1 3.24Å; H704-Q708 VanDerWaalsContact CE1-OE1 3.29Å; H704-Q708 VanDerWaalsContact ND1-CD 3.3Å; H704-Q708 PolarHBondContact ND1-OE1 2.62Å; H704-Q708 WeakPolarHBondContact O-CB 3.1Å; H704-Q708 VanDerWaalsContact O-CG 3.32Å; H704-Q708 WeakPolarHBondContact O-CG 3.48Å; H704-Q708 PolarHBondContact O-N 3.29Å |
| 705 | R | 87.1 | Confident | 84.8 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 177.3 | -169.5 | 176.3 | -173.5 | 168.4 | 4.9 | 112.4 | A697 N702 L709 | A697-R705 HydrophobicContact CB-CB 4.08Å; A697-R705 HydrophobicContact CB-CG 4.03Å; N702-R705 HydrophobicContact CB-CB 4.31Å; N702-R705 PolarHBondContact O-N 3.24Å; N702-R705 WeakPolarHBondContact OD1-CB 3.2Å; N702-R705 PolarHBondContact OD1-N 3.21Å; R705-L709 HydrophobicContact CG-CD1 4.39Å; R705-L709 WeakPolarHBondContact O-CD1 3.34Å; R705-L709 VanDerWaalsContact O-CG 3.26Å; R705-L709 WeakPolarHBondContact O-CG 3.32Å; R705-L709 PolarHBondContact O-N 3.01Å; R705-L709 VanDerWaalsContact O-N 3.15Å |
| 706 | F | 88.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.2 | -179.8 | -92.8 | 0 | 0 | 0 | 111.7 | L694 A697 W698 N702 Y703 H704 L709 L710 V727 F730 E734 | L694-F706 HydrophobicContact CD1-CD2 3.6Å; L694-F706 HydrophobicContact CD1-CE2 3.71Å; L694-F706 HydrophobicContact CD1-CG 4.32Å; L694-F706 HydrophobicContact CD2-CE2 3.89Å; L694-F706 HydrophobicContact CG-CD2 3.83Å; L694-F706 HydrophobicContact CG-CE2 3.69Å; A697-F706 HydrophobicContact CB-CB 4.39Å; W698-F706 HydrophobicContact CB-CD2 4.24Å; W698-F706 HydrophobicContact CB-CE2 4.44Å; N702-F706 WeakPolarHBondContact O-CB 3.38Å; N702-F706 PolarHBondContact O-N 2.93Å; Y703-F706 PolarHBondContact O-N 2.93Å; H704-F706 VanDerWaalsContact C-N 3.3Å; H704-F706 PolarHBondContact O-N 2.95Å; F706-L709 PolarHBondContact O-N 3.23Å; F706-L710 HydrophobicContact CD1-CD1 3.91Å; F706-L710 HydrophobicContact CE1-CD1 3.47Å; F706-L710 VanDerWaalsContact CE1-CD1 3.47Å; F706-L710 HydrophobicContact CZ-CD1 3.85Å; F706-L710 PolarHBondContact O-N 3.48Å; F706-V727 HydrophobicContact CE2-CG1 4.47Å; F706-V727 HydrophobicContact CZ-CG1 3.85Å; F706-F730 AromaticContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CZ-CD2 4.23Å; F706-F730 AromaticContact CZ-CE2 3.82Å; F706-F730 HydrophobicContact CZ-CE2 3.82Å; F706-E734 HydrophobicContact CD1-CB 4.48Å; F706-E734 HydrophobicContact CE1-CB 3.93Å; F706-E734 HydrophobicContact CE1-CG 4.08Å; F706-E734 HydrophobicContact CE2-CG 4.48Å; F706-E734 HydrophobicContact CZ-CB 4.25Å; F706-E734 HydrophobicContact CZ-CG 3.87Å |
| 707 | F | 88 | Confident | 82.4 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 24% | 0.237 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 178 | -71.7 | -60.3 | 0 | 0 | 0 | 112.9 | Y703 H704 L709 L710 Y711 V731 R735 | Y703-F707 WeakPolarHBondContact O-CD2 3.47Å; Y703-F707 PolarHBondContact O-N 3.34Å; H704-F707 PolarHBondContact O-N 3.5Å; F707-L709 PolarHBondContact O-N 3.29Å; F707-L710 PolarHBondContact O-N 3.43Å; F707-Y711 PolarHBondContact O-N 3.49Å; F707-V731 HydrophobicContact CE1-CG1 4.3Å; F707-R735 HydrophobicContact CZ-CB 4.08Å |
| 708 | Q | 87.7 | Confident | 81.2 | Confident | 100 Ų | 100 | 80.7 Ų | 80.7 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -29.9 | 172.3 | -75.9 | -178.9 | -58.4 | 0 | 0 | 113.6 | H704 Y711 P712 | H704-Q708 PolarHBondContact CE1-NE2 3.15Å; H704-Q708 PolarHBondContact CE1-OE1 3.24Å; H704-Q708 VanDerWaalsContact CE1-OE1 3.29Å; H704-Q708 VanDerWaalsContact ND1-CD 3.3Å; H704-Q708 PolarHBondContact ND1-OE1 2.62Å; H704-Q708 WeakPolarHBondContact O-CB 3.1Å; H704-Q708 VanDerWaalsContact O-CG 3.32Å; H704-Q708 WeakPolarHBondContact O-CG 3.48Å; H704-Q708 PolarHBondContact O-N 3.29Å; Q708-Y711 CarbonylContact O-C 3.56Å; Q708-P712 VanDerWaalsContact O-CA 3.23Å; Q708-P712 WeakPolarHBondContact O-CA 3.35Å |
| 709 | L | 85 | Confident | 80.4 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76 | -26.8 | 175.2 | -73.9 | 166.6 | 0 | 0 | 0 | 112.5 | F690 K693 L694 A697 R705 F706 F707 | F690-L709 HydrophobicContact CE2-CB 4.11Å; F690-L709 VanDerWaalsContact CE2-O 3.31Å; F690-L709 WeakPolarHBondContact CE2-O 3.24Å; K693-L709 HydrophobicContact CB-CD1 3.98Å; K693-L709 HydrophobicContact CB-CD2 4.24Å; L694-L709 HydrophobicContact CD1-CB 4.05Å; L694-L709 HydrophobicContact CD1-CD1 4.25Å; A697-L709 HydrophobicContact CB-CD1 4.3Å; R705-L709 HydrophobicContact CG-CD1 4.39Å; R705-L709 WeakPolarHBondContact O-CD1 3.34Å; R705-L709 VanDerWaalsContact O-CG 3.26Å; R705-L709 WeakPolarHBondContact O-CG 3.32Å; R705-L709 PolarHBondContact O-N 3.01Å; R705-L709 VanDerWaalsContact O-N 3.15Å; F706-L709 PolarHBondContact O-N 3.23Å; F707-L709 PolarHBondContact O-N 3.29Å |
| 710 | L | 81.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -91.4 | -32.8 | -178.3 | -65.6 | 168.3 | 0 | 0 | 0 | 113.1 | F690 L694 F706 F707 V727 V731 | F690-L710 HydrophobicContact CZ-CD2 4.11Å; L694-L710 HydrophobicContact CD1-CD2 4.27Å; L694-L710 HydrophobicContact CD1-CG 4.19Å; F706-L710 HydrophobicContact CD1-CD1 3.91Å; F706-L710 HydrophobicContact CE1-CD1 3.47Å; F706-L710 VanDerWaalsContact CE1-CD1 3.47Å; F706-L710 HydrophobicContact CZ-CD1 3.85Å; F706-L710 PolarHBondContact O-N 3.48Å; F707-L710 PolarHBondContact O-N 3.43Å; L710-V727 HydrophobicContact CD1-CG1 3.63Å; L710-V727 HydrophobicContact CD2-CB 3.73Å; L710-V727 HydrophobicContact CD2-CG1 3.5Å; L710-V727 HydrophobicContact CD2-CG2 4.08Å; L710-V727 HydrophobicContact CG-CG1 4.19Å; L710-V731 HydrophobicContact CD1-CG2 3.9Å |
| 711 | Y | 79.9 | Confident | 79.3 | Confident | 119 Ų | 119 | 79 Ų | 79 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -129.6 | 73.4 | 176.5 | -54.7 | -83.9 | 0 | 0 | 0 | 107.7 | F707 Q708 | F707-Y711 PolarHBondContact O-N 3.49Å; Q708-Y711 CarbonylContact O-C 3.56Å |
| 712 | P | 77.5 | Confident | 79.1 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | trans | -63.2 | 147.5 | 173 | 29.4 | -35.9 | 0 | 0 | 0 | 109.7 | Q708 N714 Q717 Q718 | Q708-P712 VanDerWaalsContact O-CA 3.23Å; Q708-P712 WeakPolarHBondContact O-CA 3.35Å; P712-N714 PolarHBondContact O-N 2.97Å; P712-Q717 HydrophobicContact CB-CB 3.95Å; P712-Q717 HydrophobicContact CG-CB 4.33Å; P712-Q718 HydrophobicContact CG-CG 4.5Å | ||
| 713 | T | 65.5 | Low | 78.9 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 83% | 0.834 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -73.6 | -7.1 | 173.6 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 714 | N | 72 | Confident | 78.9 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -125.7 | 123.8 | -175.1 | -52.6 | 22.6 | 0 | 0 | 0 | 107.6 | P712 D716 Q717 | P712-N714 PolarHBondContact O-N 2.97Å; N714-D716 PolarHBondContact O-N 3.39Å; N714-Q717 PolarHBondContact O-N 2.93Å; N714-Q717 VanDerWaalsContact O-N 3.11Å |
| 715 | D | 68 | Low | 78.9 | Confident | 126 Ų | 126 | 75 Ų | 75 | 67% | 0.674 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -62.6 | -28.8 | -176.8 | -77.5 | -55 | 0 | 0 | 0 | 113.4 | Q717 Q718 | D715-Q717 PolarHBondContact O-N 3.12Å; D715-Q718 VanDerWaalsContact O-CG 3.31Å; D715-Q718 WeakPolarHBondContact O-CG 3.38Å; D715-Q718 PolarHBondContact O-N 3.4Å; D715-Q718 PolarHBondContact OD1-NE2 3.32Å |
| 716 | D | 66.6 | Low | 79.1 | Confident | 158 Ų | 158 | 69.1 Ų | 69.1 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.1 | 175.7 | -48 | -53.4 | 0 | 0 | 0 | 114 | N714 | N714-D716 PolarHBondContact O-N 3.39Š|
| 717 | Q | 66.9 | Low | 79.1 | Confident | 136 Ų | 136 | 69 Ų | 69 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -108.9 | 12.5 | -176.4 | -60.8 | -167 | 8.5 | 0 | 0 | 113.7 | P712 N714 D715 | P712-Q717 HydrophobicContact CB-CB 3.95Å; P712-Q717 HydrophobicContact CG-CB 4.33Å; N714-Q717 PolarHBondContact O-N 2.93Å; N714-Q717 VanDerWaalsContact O-N 3.11Å; D715-Q717 PolarHBondContact O-N 3.12Å |
| 718 | Q | 66 | Low | 79.2 | Confident | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 143.9 | 178.9 | -78.9 | -175.5 | 29.7 | 0 | 0 | 112.8 | P712 D715 | P712-Q718 HydrophobicContact CG-CG 4.5Å; D715-Q718 VanDerWaalsContact O-CG 3.31Å; D715-Q718 WeakPolarHBondContact O-CG 3.38Å; D715-Q718 PolarHBondContact O-N 3.4Å; D715-Q718 PolarHBondContact OD1-NE2 3.32Å |
| 719 | P | 74.2 | Confident | 79.3 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 128 | -176.9 | 24.4 | -35.3 | 0 | 0 | 0 | 111.3 | F690 K724 | F690-P719 HydrophobicContact CD2-CB 4.43Å; F690-P719 HydrophobicContact CE1-CB 4.26Å; F690-P719 HydrophobicContact CE2-CB 3.75Å; F690-P719 HydrophobicContact CZ-CB 3.66Å; P719-K724 HydrophobicContact CB-CB 4.45Å; P719-K724 HydrophobicContact CG-CB 3.9Å; P719-K724 HydrophobicContact CG-CD 4.02Å; P719-K724 HydrophobicContact CG-CG 4.05Å |
| 720 | P | 76.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 138.8 | -167.2 | 27.2 | -35.7 | 0 | 0 | 0 | 113.4 | P686 F690 C723 | P686-P720 HydrophobicContact CB-CB 4.16Å; P686-P720 HydrophobicContact CB-CG 4.29Å; F690-P720 HydrophobicContact CB-CG 3.8Å; F690-P720 HydrophobicContact CG-CG 4.14Å; P720-C723 WeakPolarHBondContact O-CB 3.33Å; P720-C723 PolarHBondContact O-N 3Å; P720-C723 PolarHBondContact O-SG 2.91Å |
| 721 | L | 79.7 | Confident | 80 | Confident | 111 Ų | 111 | 66 Ų | 66 | 58% | 0.581 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -140.7 | 178.3 | -54.8 | -179.9 | 0 | 0 | 0 | 111.7 | E653 Y657 C723 | E653-L721 VanDerWaalsContact CD-CD1 3.49Å; E653-L721 HydrophobicContact CG-CD1 3.89Å; Y657-L721 WeakPolarHBondContact OH-CB 3.41Å; L721-C723 PolarHBondContact O-N 3.03Å |
| 722 | R | 83.3 | Confident | 80.5 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.7 | -177.6 | -59.2 | -177.1 | 175.5 | 83.2 | 5.3 | 113.5 | D620 L623 E624 Y657 K724 H725 | D620-R722 VanDerWaalsContact CG-CZ 3.46Å; D620-R722 WeakPolarHBondContact OD1-CD 3.31Å; D620-R722 IonicContact OD1-CZ 3.18Å; D620-R722 IonicContact OD1-NE 2.77Å; D620-R722 IonicContact OD1-NH1 3.26Å; D620-R722 PolarHBondContact OD1-NH1 3.06Å; D620-R722 IonicContact OD2-CZ 3.92Å; D620-R722 IonicContact OD2-NH1 3.73Å; D620-R722 PolarHBondContact OD2-NH1 3.33Å; L623-R722 HydrophobicContact CB-CB 4.49Å; L623-R722 HydrophobicContact CD1-CB 3.86Å; E624-R722 IonicContact OE1-CZ 2.86Å; E624-R722 IonicContact OE1-NE 3.78Å; E624-R722 PolarHBondContact OE1-NE 3.44Å; E624-R722 IonicContact OE1-NH2 3.38Å; E624-R722 PolarHBondContact OE1-NH2 2.87Å; Y657-R722 HydrophobicContact CE1-CB 4.33Å; Y657-R722 HydrophobicContact CE2-CB 4.48Å; Y657-R722 WeakPolarHBondContact OH-CB 3.11Å; Y657-R722 PolarHBondContact OH-N 2.81Å; R722-K724 PolarHBondContact O-N 3.37Å; R722-K724 VanDerWaalsContact O-N 3.12Å; R722-H725 WeakPolarHBondContact O-CB 3.39Å; R722-H725 PolarHBondContact O-N 2.92Å |
| 723 | C | 87.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.5 | -35.9 | 179.9 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | Y657 L660 F690 P720 L721 H725 V726 V727 | Y657-C723 HydrophobicContact CE1-CB 4.39Å; L660-C723 HydrophobicContact CD1-CB 4.07Å; F690-C723 HydrophobicContact CD1-CB 3.84Å; F690-C723 HydrophobicContact CE1-CB 3.82Å; P720-C723 WeakPolarHBondContact O-CB 3.33Å; P720-C723 PolarHBondContact O-N 3Å; P720-C723 PolarHBondContact O-SG 2.91Å; L721-C723 PolarHBondContact O-N 3.03Å; C723-H725 PolarHBondContact O-N 3.27Å; C723-V726 PolarHBondContact O-N 3.11Å; C723-V727 WeakPolarHBondContact O-CG2 3.17Å; C723-V727 PolarHBondContact O-N 3.3Å |
| 724 | K | 88.1 | Confident | 82.3 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 177.2 | -164.1 | 176 | -175 | 176 | 0 | 112.3 | P719 R722 V727 N728 | P719-K724 HydrophobicContact CB-CB 4.45Å; P719-K724 HydrophobicContact CG-CB 3.9Å; P719-K724 HydrophobicContact CG-CD 4.02Å; P719-K724 HydrophobicContact CG-CG 4.05Å; R722-K724 PolarHBondContact O-N 3.37Å; R722-K724 VanDerWaalsContact O-N 3.12Å; K724-V727 PolarHBondContact O-N 3.13Å; K724-N728 PolarHBondContact O-N 3.49Å; K724-N728 PolarHBondContact O-ND2 3.05Å; K724-N728 PolarHBondContact O-OD1 3.44Å |
| 725 | H | 87.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | -179.6 | -57 | 108.3 | 0 | 0 | 0 | 111.9 | L623 R722 C723 V727 N728 | L623-H725 HydrophobicContact CB-CB 4.4Å; L623-H725 WeakPolarHBondContact O-CB 3.48Å; R722-H725 WeakPolarHBondContact O-CB 3.39Å; R722-H725 PolarHBondContact O-N 2.92Å; C723-H725 PolarHBondContact O-N 3.27Å; H725-V727 VanDerWaalsContact C-N 3.27Å; H725-V727 PolarHBondContact O-N 2.84Å; H725-N728 PolarHBondContact O-N 2.82Å |
| 726 | V | 90.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 177.2 | -173.3 | 0 | 0 | 0 | 0 | 112 | L623 Y657 L660 C723 W729 | L623-V726 HydrophobicContact CD2-CG2 3.51Å; Y657-V726 HydrophobicContact CD1-CG2 3.85Å; Y657-V726 HydrophobicContact CG-CG2 4.06Å; L660-V726 HydrophobicContact CB-CB 4.24Å; L660-V726 HydrophobicContact CB-CG1 3.49Å; L660-V726 VanDerWaalsContact CB-CG1 3.49Å; L660-V726 HydrophobicContact CD1-CB 4.28Å; L660-V726 HydrophobicContact CD1-CG1 4.42Å; C723-V726 PolarHBondContact O-N 3.11Å; V726-W729 HydrophobicContact CB-CE3 4.39Å; V726-W729 HydrophobicContact CB-CZ3 4.29Å; V726-W729 HydrophobicContact CG1-CE3 3.91Å; V726-W729 HydrophobicContact CG1-CZ3 3.77Å; V726-W729 HydrophobicContact CG2-CZ3 4.46Å |
| 727 | V | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -78.7 | -34.1 | -178.2 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | L660 L694 F706 L710 C723 K724 H725 W729 F730 V731 | L660-V727 HydrophobicContact CD1-CG2 4.1Å; L660-V727 HydrophobicContact CD2-CG2 3.94Å; L660-V727 HydrophobicContact CG-CG2 4.48Å; L694-V727 HydrophobicContact CD2-CB 4.46Å; L694-V727 HydrophobicContact CD2-CG1 4.03Å; L694-V727 HydrophobicContact CD2-CG2 3.49Å; L694-V727 VanDerWaalsContact CD2-CG2 3.49Å; F706-V727 HydrophobicContact CE2-CG1 4.47Å; F706-V727 HydrophobicContact CZ-CG1 3.85Å; L710-V727 HydrophobicContact CD1-CG1 3.63Å; L710-V727 HydrophobicContact CD2-CB 3.73Å; L710-V727 HydrophobicContact CD2-CG1 3.5Å; L710-V727 HydrophobicContact CD2-CG2 4.08Å; L710-V727 HydrophobicContact CG-CG1 4.19Å; C723-V727 WeakPolarHBondContact O-CG2 3.17Å; C723-V727 PolarHBondContact O-N 3.3Å; K724-V727 PolarHBondContact O-N 3.13Å; H725-V727 VanDerWaalsContact C-N 3.27Å; H725-V727 PolarHBondContact O-N 2.84Å; V727-W729 PolarHBondContact O-N 2.86Å; V727-F730 HydrophobicContact CB-CE1 4.27Å; V727-F730 HydrophobicContact CB-CZ 4.26Å; V727-F730 HydrophobicContact CG1-CE1 4.19Å; V727-F730 HydrophobicContact CG1-CE2 4.07Å; V727-F730 HydrophobicContact CG1-CZ 3.83Å; V727-F730 HydrophobicContact CG2-CE1 4.31Å; V727-F730 HydrophobicContact CG2-CZ 4.11Å; V727-F730 WeakPolarHBondContact O-CD1 3.49Å; V727-F730 PolarHBondContact O-N 3.04Å; V727-V731 HydrophobicContact CG1-CG2 4.01Å; V727-V731 WeakPolarHBondContact O-CG2 3.46Å; V727-V731 PolarHBondContact O-N 3.41Å |
| 728 | N | 89.5 | Confident | 86.6 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -50.4 | -36 | 177 | -72.2 | -18 | 0 | 0 | 0 | 112.3 | K724 H725 F730 V731 | K724-N728 PolarHBondContact O-N 3.49Å; K724-N728 PolarHBondContact O-ND2 3.05Å; K724-N728 PolarHBondContact O-OD1 3.44Å; H725-N728 PolarHBondContact O-N 2.82Å; N728-F730 PolarHBondContact O-N 3.36Å; N728-F730 VanDerWaalsContact O-N 3.13Å; N728-V731 PolarHBondContact O-N 3.37Å |
| 729 | W | 89.1 | Confident | 87.9 | Confident | 47 Ų | 47 | 49 Ų | 49 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.2 | -28.4 | 175.7 | -62.1 | -33.2 | 0 | 0 | 0 | 115.1 | L623 G626 F628 F631 Y661 F664 V726 V727 | L623-W729 HydrophobicContact CD2-CH2 3.52Å; L623-W729 HydrophobicContact CD2-CZ2 3.89Å; L623-W729 HydrophobicContact CD2-CZ3 4.36Å; G626-W729 PolarHBondContact O-NE1 3.36Å; F628-W729 HydrophobicContact CB-CD2 3.85Å; F628-W729 HydrophobicContact CB-CE3 3.94Å; F628-W729 HydrophobicContact CB-CH2 3.85Å; F628-W729 HydrophobicContact CB-CZ2 3.74Å; F628-W729 HydrophobicContact CB-CZ3 3.95Å; F631-W729 HydrophobicContact CB-CH2 3.9Å; F631-W729 HydrophobicContact CB-CZ2 4.49Å; F631-W729 AromaticContact CD1-CH2 3.58Å; F631-W729 HydrophobicContact CD1-CH2 3.58Å; F631-W729 AromaticContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CE1-CH2 4.35Å; F631-W729 HydrophobicContact CE1-CZ3 4.4Å; F631-W729 AromaticContact CG-CH2 3.8Å; F631-W729 HydrophobicContact CG-CH2 3.8Å; Y661-W729 HydrophobicContact CD2-CZ3 4.08Å; F664-W729 HydrophobicContact CD2-CB 3.57Å; F664-W729 HydrophobicContact CE2-CB 3.66Å; F664-W729 HydrophobicContact CG-CB 4.4Å; V726-W729 HydrophobicContact CB-CE3 4.39Å; V726-W729 HydrophobicContact CB-CZ3 4.29Å; V726-W729 HydrophobicContact CG1-CE3 3.91Å; V726-W729 HydrophobicContact CG1-CZ3 3.77Å; V726-W729 HydrophobicContact CG2-CZ3 4.46Å; V727-W729 PolarHBondContact O-N 2.86Å |
| 730 | F | 90.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -120.5 | 0.2 | 176.8 | 59.3 | -80.4 | 0 | 0 | 0 | 115.2 | I663 F664 L694 F706 V727 N728 D732 R733 E734 | I663-F730 HydrophobicContact CB-CE2 4.26Å; I663-F730 HydrophobicContact CB-CZ 3.97Å; I663-F730 HydrophobicContact CG2-CD2 4.15Å; I663-F730 HydrophobicContact CG2-CE2 3.44Å; I663-F730 VanDerWaalsContact CG2-CE2 3.44Å; I663-F730 HydrophobicContact CG2-CZ 3.67Å; F664-F730 HydrophobicContact CB-CD1 3.65Å; F664-F730 HydrophobicContact CB-CE1 4.08Å; F664-F730 HydrophobicContact CB-CG 4.43Å; F664-F730 HydrophobicContact CD2-CB 4.03Å; F664-F730 HydrophobicContact CD2-CD1 4.11Å; F664-F730 HydrophobicContact CG-CD1 4.38Å; L694-F730 HydrophobicContact CD2-CZ 4.36Å; F706-F730 AromaticContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CZ-CD2 4.23Å; F706-F730 AromaticContact CZ-CE2 3.82Å; F706-F730 HydrophobicContact CZ-CE2 3.82Å; V727-F730 HydrophobicContact CB-CE1 4.27Å; V727-F730 HydrophobicContact CB-CZ 4.26Å; V727-F730 HydrophobicContact CG1-CE1 4.19Å; V727-F730 HydrophobicContact CG1-CE2 4.07Å; V727-F730 HydrophobicContact CG1-CZ 3.83Å; V727-F730 HydrophobicContact CG2-CE1 4.31Å; V727-F730 HydrophobicContact CG2-CZ 4.11Å; V727-F730 WeakPolarHBondContact O-CD1 3.49Å; V727-F730 PolarHBondContact O-N 3.04Å; N728-F730 PolarHBondContact O-N 3.36Å; N728-F730 VanDerWaalsContact O-N 3.13Å; F730-D732 PolarHBondContact O-N 2.98Å; F730-R733 WeakPolarHBondContact O-CA 3.21Å; F730-R733 WeakPolarHBondContact O-CB 3.27Å; F730-R733 PolarHBondContact O-N 2.98Å; F730-E734 HydrophobicContact CD2-CG 3.84Å; F730-E734 HydrophobicContact CE2-CG 4.49Å; F730-E734 PolarHBondContact O-N 2.9Å |
| 731 | V | 91 | Very high | 89.2 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -49.7 | -44.9 | 175 | 158.6 | 0 | 0 | 0 | 0 | 111.9 | F707 L710 V727 N728 R733 E734 R735 | F707-V731 HydrophobicContact CE1-CG1 4.3Å; L710-V731 HydrophobicContact CD1-CG2 3.9Å; V727-V731 HydrophobicContact CG1-CG2 4.01Å; V727-V731 WeakPolarHBondContact O-CG2 3.46Å; V727-V731 PolarHBondContact O-N 3.41Å; N728-V731 PolarHBondContact O-N 3.37Å; V731-R733 VanDerWaalsContact C-N 3.31Å; V731-R733 PolarHBondContact O-N 3.37Å; V731-E734 PolarHBondContact O-N 3.48Å; V731-R735 VanDerWaalsContact O-CB 3.23Å; V731-R735 WeakPolarHBondContact O-CB 3.42Å; V731-R735 PolarHBondContact O-N 2.96Å |
| 732 | D | 90.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.1 | -20.2 | 179.8 | -91.4 | -23 | 0 | 0 | 0 | 114.5 | F730 R735 K736 | F730-D732 PolarHBondContact O-N 2.98Å; D732-R735 IonicContact OD1-CZ 2.82Å; D732-R735 IonicContact OD1-NH1 3.82Å; D732-R735 PolarHBondContact OD1-NH1 3.47Å; D732-K736 WeakPolarHBondContact O-CD 3.42Å; D732-K736 WeakPolarHBondContact O-CE 3.2Å; D732-K736 WeakPolarHBondContact O-CG 3.47Å; D732-K736 PolarHBondContact O-N 3.14Å |
| 733 | R | 91 | Very high | 89.9 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.7 | -51.8 | 170.2 | -178.2 | -172.9 | 69.9 | -156.3 | 2.7 | 109.8 | I663 F664 F730 V731 R735 K736 E737 | I663-R733 PolarHBondContact O-NH2 3.43Å; F664-R733 PolarHBondContact O-NH1 3.29Å; F730-R733 WeakPolarHBondContact O-CA 3.21Å; F730-R733 WeakPolarHBondContact O-CB 3.27Å; F730-R733 PolarHBondContact O-N 2.98Å; V731-R733 VanDerWaalsContact C-N 3.31Å; V731-R733 PolarHBondContact O-N 3.37Å; R733-R735 VanDerWaalsContact C-N 3.31Å; R733-R735 PolarHBondContact O-N 2.97Å; R733-K736 PolarHBondContact O-N 3.32Å; R733-K736 VanDerWaalsContact O-N 3.1Å; R733-E737 PolarHBondContact O-N 3.01Å |
| 734 | E | 90.2 | Very high | 89.9 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -36.5 | -178.8 | -56 | -52.4 | 142.4 | 0 | 0 | 111.5 | W698 Y703 F706 F730 V731 K736 E737 A738 | W698-E734 VanDerWaalsContact CD1-CD 3.47Å; W698-E734 VanDerWaalsContact NE1-CD 3.27Å; W698-E734 PolarHBondContact NE1-OE1 3.35Å; W698-E734 PolarHBondContact NE1-OE2 3.05Å; Y703-E734 HydrophobicContact CE1-CB 4.4Å; F706-E734 HydrophobicContact CD1-CB 4.48Å; F706-E734 HydrophobicContact CE1-CB 3.93Å; F706-E734 HydrophobicContact CE1-CG 4.08Å; F706-E734 HydrophobicContact CE2-CG 4.48Å; F706-E734 HydrophobicContact CZ-CB 4.25Å; F706-E734 HydrophobicContact CZ-CG 3.87Å; F730-E734 HydrophobicContact CD2-CG 3.84Å; F730-E734 HydrophobicContact CE2-CG 4.49Å; F730-E734 PolarHBondContact O-N 2.9Å; V731-E734 PolarHBondContact O-N 3.48Å; E734-K736 VanDerWaalsContact C-N 3.34Å; E734-K736 PolarHBondContact O-N 2.86Å; E734-E737 PolarHBondContact O-N 3.18Å; E734-A738 VanDerWaalsContact O-CB 3.27Å; E734-A738 WeakPolarHBondContact O-CB 3.36Å; E734-A738 PolarHBondContact O-N 2.86Å |
| 735 | R | 92 | Very high | 89.9 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 170.8 | -176.4 | -178.1 | -75.1 | 156.4 | -11.7 | 112.1 | F707 V731 D732 R733 I739 | F707-R735 HydrophobicContact CZ-CB 4.08Å; V731-R735 VanDerWaalsContact O-CB 3.23Å; V731-R735 WeakPolarHBondContact O-CB 3.42Å; V731-R735 PolarHBondContact O-N 2.96Å; D732-R735 IonicContact OD1-CZ 2.82Å; D732-R735 IonicContact OD1-NH1 3.82Å; D732-R735 PolarHBondContact OD1-NH1 3.47Å; R733-R735 VanDerWaalsContact C-N 3.31Å; R733-R735 PolarHBondContact O-N 2.97Å; R735-I739 HydrophobicContact CG-CD1 4.15Å; R735-I739 WeakPolarHBondContact O-CD1 3.4Å; R735-I739 VanDerWaalsContact O-CG1 3.28Å; R735-I739 WeakPolarHBondContact O-CG1 3.46Å; R735-I739 PolarHBondContact O-N 2.9Å; R735-I739 VanDerWaalsContact O-N 3.12Å |
| 736 | K | 91.9 | Very high | 89.6 | Confident | 135 Ų | 135 | 70.7 Ų | 70.7 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.5 | -39.5 | 178.3 | -73.2 | 164.5 | -167.3 | 158.7 | 0 | 112.3 | D732 R733 E734 R740 | D732-K736 WeakPolarHBondContact O-CD 3.42Å; D732-K736 WeakPolarHBondContact O-CE 3.2Å; D732-K736 WeakPolarHBondContact O-CG 3.47Å; D732-K736 PolarHBondContact O-N 3.14Å; R733-K736 PolarHBondContact O-N 3.32Å; R733-K736 VanDerWaalsContact O-N 3.1Å; E734-K736 VanDerWaalsContact C-N 3.34Å; E734-K736 PolarHBondContact O-N 2.86Å; K736-R740 VanDerWaalsContact O-CB 3.28Å; K736-R740 WeakPolarHBondContact O-CB 3.46Å; K736-R740 PolarHBondContact O-N 2.76Å |
| 737 | E | 89 | Confident | 89.2 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.6 | -33.5 | 175.2 | -68.6 | -55.7 | 125.4 | 0 | 0 | 112.7 | R733 E734 R740 L741 | R733-E737 PolarHBondContact O-N 3.01Å; E734-E737 PolarHBondContact O-N 3.18Å; E737-R740 PolarHBondContact O-N 3.04Å; E737-R740 IonicContact OE1-CZ 2.77Å; E737-R740 IonicContact OE1-NH1 3.84Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 VanDerWaalsContact OE2-CD 3.3Å; E737-R740 WeakPolarHBondContact OE2-CD 3.17Å; E737-R740 IonicContact OE2-NH1 2.77Å; E737-L741 WeakPolarHBondContact O-CB 3.3Å; E737-L741 PolarHBondContact O-N 3Å |
| 738 | A | 91.1 | Very high | 88.3 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.2 | -53 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y703 E734 R740 L741 M742 | Y703-A738 HydrophobicContact CD1-CB 3.67Å; Y703-A738 HydrophobicContact CD2-CB 3.6Å; Y703-A738 HydrophobicContact CE1-CB 4.08Å; Y703-A738 HydrophobicContact CE2-CB 4.02Å; Y703-A738 HydrophobicContact CG-CB 3.4Å; Y703-A738 VanDerWaalsContact CG-CB 3.4Å; E734-A738 VanDerWaalsContact O-CB 3.27Å; E734-A738 WeakPolarHBondContact O-CB 3.36Å; E734-A738 PolarHBondContact O-N 2.86Å; A738-R740 VanDerWaalsContact C-N 3.31Å; A738-R740 PolarHBondContact O-N 3.07Å; A738-L741 PolarHBondContact O-N 3.32Å; A738-L741 VanDerWaalsContact O-N 3.12Å; A738-M742 WeakPolarHBondContact O-CG 3.42Å; A738-M742 PolarHBondContact O-N 3.39Å |
| 739 | I | 91.3 | Very high | 86.6 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 41% | 0.41 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.7 | -69.1 | 166.4 | 0 | 0 | 0 | 110.7 | R735 M742 F743 | R735-I739 HydrophobicContact CG-CD1 4.15Å; R735-I739 WeakPolarHBondContact O-CD1 3.4Å; R735-I739 VanDerWaalsContact O-CG1 3.28Å; R735-I739 WeakPolarHBondContact O-CG1 3.46Å; R735-I739 PolarHBondContact O-N 2.9Å; R735-I739 VanDerWaalsContact O-N 3.12Å; I739-M742 PolarHBondContact O-N 3.28Å; I739-F743 HydrophobicContact CG2-CD2 3.66Å; I739-F743 HydrophobicContact CG2-CE2 3.35Å; I739-F743 HydrophobicContact CG2-CZ 4.34Å; I739-F743 VanDerWaalsContact O-CD2 3.24Å; I739-F743 WeakPolarHBondContact O-CD2 3.32Å; I739-F743 PolarHBondContact O-N 3.03Å |
| 740 | R | 90.1 | Very high | 86.5 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 173.7 | 167.6 | 175 | -81.1 | 156 | 0.1 | 112.7 | K736 E737 A738 K744 | K736-R740 VanDerWaalsContact O-CB 3.28Å; K736-R740 WeakPolarHBondContact O-CB 3.46Å; K736-R740 PolarHBondContact O-N 2.76Å; E737-R740 PolarHBondContact O-N 3.04Å; E737-R740 IonicContact OE1-CZ 2.77Å; E737-R740 IonicContact OE1-NH1 3.84Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 VanDerWaalsContact OE2-CD 3.3Å; E737-R740 WeakPolarHBondContact OE2-CD 3.17Å; E737-R740 IonicContact OE2-NH1 2.77Å; A738-R740 VanDerWaalsContact C-N 3.31Å; A738-R740 PolarHBondContact O-N 3.07Å; R740-K744 WeakPolarHBondContact O-CB 3.31Å; R740-K744 PolarHBondContact O-N 3.26Å |
| 741 | L | 88.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 176.7 | -174.9 | 63.8 | 0 | 0 | 0 | 110.8 | Y703 E737 A738 K744 V745 | Y703-L741 HydrophobicContact CD2-CD2 4.4Å; Y703-L741 HydrophobicContact CE2-CB 4.28Å; Y703-L741 HydrophobicContact CE2-CD2 3.8Å; E737-L741 WeakPolarHBondContact O-CB 3.3Å; E737-L741 PolarHBondContact O-N 3Å; A738-L741 PolarHBondContact O-N 3.32Å; A738-L741 VanDerWaalsContact O-N 3.12Å; L741-K744 PolarHBondContact O-N 3.47Å; L741-K744 VanDerWaalsContact O-N 3.15Å; L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.92Å |
| 742 | M | 87.8 | Confident | 86 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.4 | -53.1 | 175.2 | -68.7 | 173.2 | 69.6 | 0 | 0 | 111.1 | A738 I739 K744 V745 Y746 | A738-M742 WeakPolarHBondContact O-CG 3.42Å; A738-M742 PolarHBondContact O-N 3.39Å; I739-M742 PolarHBondContact O-N 3.28Å; M742-K744 VanDerWaalsContact C-N 3.27Å; M742-K744 PolarHBondContact O-N 3.11Å; M742-V745 PolarHBondContact O-N 3.15Å; M742-Y746 HydrophobicContact CB-CE2 4.46Å; M742-Y746 WeakPolarHBondContact O-CD2 3.23Å; M742-Y746 PolarHBondContact O-N 3.24Å |
| 743 | F | 89.9 | Confident | 85.8 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.1 | -34.4 | 176.2 | -73.9 | -50.9 | 0 | 0 | 0 | 113.2 | I739 V745 Y746 V747 | I739-F743 HydrophobicContact CG2-CD2 3.66Å; I739-F743 HydrophobicContact CG2-CE2 3.35Å; I739-F743 HydrophobicContact CG2-CZ 4.34Å; I739-F743 VanDerWaalsContact O-CD2 3.24Å; I739-F743 WeakPolarHBondContact O-CD2 3.32Å; I739-F743 PolarHBondContact O-N 3.03Å; F743-V745 VanDerWaalsContact C-N 3.32Å; F743-V745 PolarHBondContact O-N 3Å; F743-Y746 PolarHBondContact O-N 2.95Å; F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.95Å |
| 744 | K | 88.3 | Confident | 85.4 | Confident | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.5 | -32 | 176 | -171 | -178.3 | 176.5 | -168.9 | 0 | 112.4 | R740 L741 M742 V748 | R740-K744 WeakPolarHBondContact O-CB 3.31Å; R740-K744 PolarHBondContact O-N 3.26Å; L741-K744 PolarHBondContact O-N 3.47Å; L741-K744 VanDerWaalsContact O-N 3.15Å; M742-K744 VanDerWaalsContact C-N 3.27Å; M742-K744 PolarHBondContact O-N 3.11Å; K744-V748 WeakPolarHBondContact O-CG2 3.26Å |
| 745 | V | 88 | Confident | 85.1 | Confident | 73 Ų | 73 | 107.9 Ų | 107.9 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L741 M742 F743 V747 V748 L749 | L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.92Å; M742-V745 PolarHBondContact O-N 3.15Å; F743-V745 VanDerWaalsContact C-N 3.32Å; F743-V745 PolarHBondContact O-N 3Å; V745-V747 PolarHBondContact O-N 3.37Å; V745-V748 PolarHBondContact O-N 3.29Å; V745-L749 HydrophobicContact CG1-CD1 3.74Å; V745-L749 HydrophobicContact CG1-CG 4.15Å; V745-L749 PolarHBondContact O-N 2.89Å |
| 746 | Y | 80.9 | Confident | 84.6 | Confident | 160 Ų | 160 | 108.1 Ų | 108.1 | 63% | 0.627 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -2 | 176.8 | -73.6 | -63.4 | 0 | 0 | 0 | 115.9 | M742 F743 | M742-Y746 HydrophobicContact CB-CE2 4.46Å; M742-Y746 WeakPolarHBondContact O-CD2 3.23Å; M742-Y746 PolarHBondContact O-N 3.24Å; F743-Y746 PolarHBondContact O-N 2.95Å |
| 747 | V | 81.4 | Confident | 84.1 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 74% | 0.739 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -1.4 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | F743 V745 | F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.95Å; V745-V747 PolarHBondContact O-N 3.37Å |
| 748 | V | 71.5 | Confident | 83.7 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 73% | 0.733 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -15.9 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | K744 V745 | K744-V748 WeakPolarHBondContact O-CG2 3.26Å; V745-V748 PolarHBondContact O-N 3.29Å |
| 749 | L | 54.8 | Low | 83 | Confident | 183 Ų | 183 | 120.5 Ų | 120.5 | 96% | 0.958 | 59% | 0.594 | S | S | * | * | trans | -89.5 | 0 | 161.6 | -61.7 | 176 | 0 | 0 | 0 | 110.1 | V745 | V745-L749 HydrophobicContact CG1-CD1 3.74Å; V745-L749 HydrophobicContact CG1-CG 4.15Å; V745-L749 PolarHBondContact O-N 2.89Å |
Retrieved 749 of 749 residues in 136.4 ms
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