| 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 | 39.4 | Very low | 47.7 | Very low | 250 Ų | 250 | 154.4 Ų | 154.4 | 100% | 1.232 | 84% | 0.839 | S | S | * | * | 0 | 96.9 | 0 | -73.3 | 172.2 | -164.2 | 0 | 0 | 106.6 | |||||
| 2 | E | 44.5 | Very low | 47.5 | Very low | 179 Ų | 179 | 161.5 Ų | 161.5 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | trans | -82.2 | 134.5 | 167.5 | -69.9 | -171.2 | 134.5 | 0 | 0 | 108.5 | ||||
| 3 | L | 50 | Low | 47.5 | Very low | 165 Ų | 165 | 157.9 Ų | 157.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -140.2 | 88.9 | 155.9 | -76.9 | 179.8 | 0 | 0 | 0 | 108.1 | ||||
| 4 | S | 45.3 | Very low | 47.4 | Very low | 99 Ų | 99 | 158.9 Ų | 158.9 | 69% | 0.692 | 84% | 0.841 | S | S | * | * | trans | -70.6 | 121.9 | 158.3 | -60.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | N | 47.6 | Very low | 47.3 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 83% | 0.829 | 84% | 0.842 | S | S | * | * | trans | -131.5 | 115 | 163.1 | -100.4 | -35.7 | 0 | 0 | 0 | 110.4 | ||||
| 6 | L | 45 | Very low | 46.7 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | trans | -51.2 | 134 | 171.3 | -87.9 | 51.7 | 0 | 0 | 0 | 111.8 | ||||
| 7 | Y | 46.2 | Very low | 46.4 | Very low | 227 Ų | 227 | 153.8 Ų | 153.8 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -128.1 | 106.4 | 143.6 | -158.1 | -98.8 | 0 | 0 | 0 | 108.6 | ||||
| 8 | E | 49.5 | Very low | 45.9 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -79.4 | 115.9 | 179.8 | -171.6 | 165.7 | 162.5 | 0 | 0 | 109 | A10 | E8-A10 PolarHBondContact O-N 3.06Š| ||
| 9 | A | 51.2 | Low | 45.5 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 116.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 10 | A | 49.4 | Very low | 45 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E8 | E8-A10 PolarHBondContact O-N 3.06Š|
| 11 | P | 56.2 | Low | 44.3 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.6 | 178.9 | 29.4 | -32.2 | 0 | 0 | 0 | 111.9 | ||
| 12 | R | 45.6 | Very low | 44.2 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.4 | 173.6 | -66.8 | -170.3 | -176.4 | -164 | 2.1 | 110.8 | ||
| 13 | P | 48.3 | Very low | 43.9 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139 | -179.8 | 27.2 | -31.3 | 0 | 0 | 0 | 112.7 | ||
| 14 | L | 46.1 | Very low | 43.5 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 122.9 | 168.5 | -82.3 | 157 | 0 | 0 | 0 | 110 | ||
| 15 | M | 45.1 | Very low | 43.6 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 124.9 | 167.9 | -78.1 | -76.5 | 98.5 | 0 | 0 | 110.2 | ||
| 16 | S | 38 | Very low | 43.3 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 137 | -175.9 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 17 | S | 41.9 | Very low | 42.9 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 118.2 | 172.2 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 18 | L | 37.3 | Very low | 42.9 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -132 | 103.6 | 160.5 | -103.9 | 96.8 | 0 | 0 | 0 | 112 | ||||
| 19 | T | 37.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | trans | 54.7 | 136.7 | 134.6 | 70.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 20 | H | 35.6 | Very low | 42.3 | Very low | 192 Ų | 192 | 145 Ų | 145 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | trans | 94.8 | 113 | 150.6 | -82.6 | 85.4 | 0 | 0 | 0 | 120.1 | ||||
| 21 | G | 31.8 | Very low | 42.3 | Very low | 72 Ų | 72 | 146.5 Ų | 146.5 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 125.9 | 94.3 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 22 | Q | 37.5 | Very low | 41.8 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 50.4 | 108.8 | 155.2 | -75.3 | -178.7 | -1 | 0 | 0 | 119.9 | ||||
| 23 | Q | 36.4 | Very low | 41.8 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -124.6 | 135.7 | 156.6 | -75.8 | -85.2 | -34.6 | 0 | 0 | 108.3 | ||||
| 24 | P | 42.4 | Very low | 41.9 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -77.7 | 161.9 | 167.6 | 33.8 | -30.3 | 0 | 0 | 0 | 110.3 | ||||
| 25 | P | 48.3 | Very low | 41.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 138.5 | -162.8 | 29.1 | -33.7 | 0 | 0 | 0 | 112.9 | G27 | P25-G27 PolarHBondContact O-N 2.63Å; P25-G27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | S | 41.4 | Very low | 42.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -56.9 | 108.9 | 166.4 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 27 | G | 35.5 | Very low | 42.7 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -94.7 | 122.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P25 R29 | P25-G27 PolarHBondContact O-N 2.63Å; P25-G27 VanDerWaalsContact O-N 3.15Å; G27-R29 PolarHBondContact O-N 2.86Å | ||
| 28 | Y | 46.3 | Very low | 43.2 | Very low | 241 Ų | 241 | 135.5 Ų | 135.5 | 95% | 0.945 | 78% | 0.78 | S | S | * | * | trans | -53.5 | 116.3 | 167.1 | -115.5 | -103.2 | 0 | 0 | 0 | 108.9 | ||||
| 29 | R | 49 | Very low | 43.9 | Very low | 216 Ų | 216 | 130.4 Ų | 130.4 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -109.7 | 124.8 | 168.9 | -128.8 | -166 | -179.1 | -136.5 | -0.8 | 110 | G27 D33 | G27-R29 PolarHBondContact O-N 2.86Å; R29-D33 IonicContact NH1-OD2 2.91Å | ||
| 30 | D | 40.3 | Very low | 44.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -51.3 | 132.8 | -179.6 | -170.1 | 2.1 | 0 | 0 | 0 | 113.2 | A32 | D30-A32 PolarHBondContact O-N 3.07Å; D30-A32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | P | 47.6 | Very low | 45.6 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 21.4 | -177.7 | 32.9 | -37 | 0 | 0 | 0 | 114.9 | ||
| 32 | A | 45.5 | Very low | 46.9 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -0.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D30 | D30-A32 PolarHBondContact O-N 3.07Å; D30-A32 VanDerWaalsContact O-N 3.11Å |
| 33 | D | 46.5 | Very low | 48.2 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | trans | -115.7 | 23.7 | -168.7 | -153.9 | 31.2 | 0 | 0 | 0 | 115.2 | R29 G35 | R29-D33 IonicContact NH1-OD2 2.91Å; D33-G35 PolarHBondContact O-N 3.39Å; D33-G35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | L | 51 | Low | 49.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -86.8 | 47.6 | 172.8 | -68.1 | 177.8 | 0 | 0 | 0 | 112.1 | ||||
| 35 | G | 46.3 | Very low | 51.6 | Low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -100.2 | 78.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D33 | D33-G35 PolarHBondContact O-N 3.39Å; D33-G35 VanDerWaalsContact O-N 3.11Å | ||
| 36 | G | 52.6 | Low | 53.1 | Low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 58.4 | 92.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 37 | D | 47.3 | Very low | 55 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | trans | -146.3 | 95.6 | 131.8 | -130.7 | -33.3 | 0 | 0 | 0 | 112.1 | G39 D40 | D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact OD1-N 3.17Å; D37-G39 VanDerWaalsContact OD1-N 3.14Å; D37-D40 VanDerWaalsContact OD2-OD2 3.09Å | ||
| 38 | I | 51.9 | Low | 57 | Low | 180 Ų | 180 | 126.9 Ų | 126.9 | 92% | 0.923 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -101 | 24.2 | 166.5 | -69.6 | 170.3 | 0 | 0 | 0 | 108 | ||
| 39 | G | 52.3 | Low | 58.5 | Low | 42 Ų | 42 | 119.3 Ų | 119.3 | 43% | 0.433 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -110.8 | -18.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D37 | D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact OD1-N 3.17Å; D37-G39 VanDerWaalsContact OD1-N 3.14Å |
| 40 | D | 50.5 | Low | 59.8 | Low | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -111.9 | 11 | -155 | -73.8 | 3.8 | 0 | 0 | 0 | 116.3 | D37 | D37-D40 VanDerWaalsContact OD2-OD2 3.09Š|
| 41 | N | 56.6 | Low | 61.7 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -114.6 | 43.9 | 172.4 | 63.9 | 6.7 | 0 | 0 | 0 | 112.6 | T43 | N41-T43 PolarHBondContact O-N 3.13Š| ||
| 42 | E | 58.9 | Low | 63.2 | Low | 178 Ų | 178 | 115 Ų | 115 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -67.5 | 89.8 | 156.2 | -61.9 | -164.3 | 141 | 0 | 0 | 107.7 | S44 | E42-S44 PolarHBondContact O-N 2.92Š| ||
| 43 | T | 64.8 | Low | 64.4 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | -64.3 | 79.3 | 162.5 | 53.2 | 0 | 0 | 0 | 0 | 107.5 | N41 I45 | N41-T43 PolarHBondContact O-N 3.13Å; T43-I45 PolarHBondContact O-N 2.99Å; T43-I45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | S | 72.9 | Confident | 65.5 | Low | 105 Ų | 105 | 114.2 Ų | 114.2 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -59.9 | 114.8 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 107 | E42 D46 | E42-S44 PolarHBondContact O-N 2.92Å; S44-D46 PolarHBondContact O-N 2.63Å; S44-D46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | I | 77.4 | Confident | 66.3 | Low | 134 Ų | 134 | 108.9 Ų | 108.9 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | trans | -67.5 | 113.4 | 175.2 | -65.4 | 170.5 | 0 | 0 | 0 | 106.5 | T43 L47 | T43-I45 PolarHBondContact O-N 2.99Å; T43-I45 VanDerWaalsContact O-N 3.08Å; I45-L47 HydrophobicContact CG2-CD2 4.09Å; I45-L47 HydrophobicContact CG2-CG 4.43Å; I45-L47 PolarHBondContact O-N 3.05Å; I45-L47 VanDerWaalsContact O-N 3.12Å | ||
| 46 | D | 80.2 | Confident | 67.2 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | trans | -72.5 | 102.7 | 174.3 | -176 | 7.2 | 0 | 0 | 0 | 109.3 | S44 S48 | S44-D46 PolarHBondContact O-N 2.63Å; S44-D46 VanDerWaalsContact O-N 3.13Å; D46-S48 VanDerWaalsContact C-N 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 2.96Å; D46-S48 PolarHBondContact OD1-OG 3Å; D46-S48 PolarHBondContact OD2-OG 3.45Å; D46-S48 VanDerWaalsContact OD2-OG 3.05Å | ||
| 47 | L | 81.9 | Confident | 67.9 | Low | 106 Ų | 106 | 112.9 Ų | 112.9 | 56% | 0.555 | 64% | 0.635 | S | S | * | * | trans | -80.1 | -8.6 | 179.2 | -66.1 | 166.8 | 0 | 0 | 0 | 112.2 | I45 A49 Y50 I51 | I45-L47 HydrophobicContact CG2-CD2 4.09Å; I45-L47 HydrophobicContact CG2-CG 4.43Å; I45-L47 PolarHBondContact O-N 3.05Å; I45-L47 VanDerWaalsContact O-N 3.12Å; L47-A49 PolarHBondContact O-N 2.78Å; L47-Y50 PolarHBondContact O-N 2.83Å; L47-I51 HydrophobicContact CB-CD1 4.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.28Å; L47-I51 PolarHBondContact O-N 3.24Å | ||
| 48 | S | 77.6 | Confident | 68.9 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -61.8 | -31 | -176.5 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | D46 Y50 I51 | D46-S48 VanDerWaalsContact C-N 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 2.96Å; D46-S48 PolarHBondContact OD1-OG 3Å; D46-S48 PolarHBondContact OD2-OG 3.45Å; D46-S48 VanDerWaalsContact OD2-OG 3.05Å; S48-Y50 PolarHBondContact O-N 3.37Å; S48-I51 PolarHBondContact O-N 3.23Å |
| 49 | A | 77.4 | Confident | 69.6 | Low | 82 Ų | 82 | 111.4 Ų | 111.4 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -66.8 | -17.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L47 | L47-A49 PolarHBondContact O-N 2.78Š|
| 50 | Y | 76.8 | Confident | 70.6 | Confident | 194 Ų | 194 | 115.6 Ų | 115.6 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -110.4 | -5.1 | -178.5 | -58.6 | -77.2 | 0 | 0 | 0 | 113.2 | L47 S48 | L47-Y50 PolarHBondContact O-N 2.83Å; S48-Y50 PolarHBondContact O-N 3.37Å |
| 51 | I | 80.5 | Confident | 71.8 | Confident | 93 Ų | 93 | 112.4 Ų | 112.4 | 48% | 0.477 | 62% | 0.618 | S | S | . | * | trans | -97.9 | 98.4 | 176.6 | -62.7 | 168.1 | 0 | 0 | 0 | 107 | L47 S48 P53 F56 | L47-I51 HydrophobicContact CB-CD1 4.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.28Å; L47-I51 PolarHBondContact O-N 3.24Å; S48-I51 PolarHBondContact O-N 3.23Å; I51-P53 VanDerWaalsContact O-CD 3.28Å; I51-P53 WeakPolarHBondContact O-CD 3.4Å; I51-F56 HydrophobicContact CG2-CE2 3.93Å | ||
| 52 | D | 78.9 | Confident | 72.4 | Confident | 87 Ų | 87 | 107.6 Ų | 107.6 | 47% | 0.465 | 60% | 0.598 | S | S | . | * | trans | -78.5 | 113.6 | 172 | -177.8 | -5.6 | 0 | 0 | 0 | 109.4 | S54 A55 | D52-S54 PolarHBondContact O-N 3Å; D52-S54 VanDerWaalsContact O-N 3.17Å; D52-S54 WeakPolarHBondContact OD1-CB 3.16Å; D52-S54 PolarHBondContact OD1-N 3.48Å; D52-S54 PolarHBondContact OD1-OG 3.29Å; D52-S54 PolarHBondContact OD2-OG 3.43Å; D52-S54 VanDerWaalsContact OD2-OG 3.06Å; D52-A55 HydrophobicContact CB-CB 4.01Å; D52-A55 WeakPolarHBondContact O-CB 3.38Å; D52-A55 PolarHBondContact O-N 2.91Å | ||
| 53 | P | 70.7 | Confident | 73.2 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 71% | 0.708 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -61.2 | -24.4 | 178.5 | -19.9 | 33 | 0 | 0 | 0 | 112.7 | I51 | I51-P53 VanDerWaalsContact O-CD 3.28Å; I51-P53 WeakPolarHBondContact O-CD 3.4Å |
| 54 | S | 69.4 | Low | 73.8 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -82.5 | -11.8 | 178.9 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | D52 F56 N57 | D52-S54 PolarHBondContact O-N 3Å; D52-S54 VanDerWaalsContact O-N 3.17Å; D52-S54 WeakPolarHBondContact OD1-CB 3.16Å; D52-S54 PolarHBondContact OD1-N 3.48Å; D52-S54 PolarHBondContact OD1-OG 3.29Å; D52-S54 PolarHBondContact OD2-OG 3.43Å; D52-S54 VanDerWaalsContact OD2-OG 3.06Å; S54-F56 VanDerWaalsContact C-N 3.26Å; S54-N57 PolarHBondContact O-ND2 3.4Å |
| 55 | A | 66.7 | Low | 73.6 | Confident | 63 Ų | 63 | 105 Ų | 105 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -74.8 | -18 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D52 N57 | D52-A55 HydrophobicContact CB-CB 4.01Å; D52-A55 WeakPolarHBondContact O-CB 3.38Å; D52-A55 PolarHBondContact O-N 2.91Å; A55-N57 VanDerWaalsContact C-N 3.28Å; A55-N57 PolarHBondContact O-N 2.64Å; A55-N57 VanDerWaalsContact O-N 3.13Å |
| 56 | F | 64.9 | Low | 73.2 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 54% | 0.544 | 57% | 0.565 | S | S | . | * | trans | -85.3 | 70.8 | 171.2 | -64 | -86.7 | 0 | 0 | 0 | 109.9 | I51 S54 | I51-F56 HydrophobicContact CG2-CE2 3.93Å; S54-F56 VanDerWaalsContact C-N 3.26Å | ||
| 57 | N | 69.3 | Low | 72.1 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | trans | -72.5 | 131.8 | 164.1 | -69.4 | -61.5 | 0 | 0 | 0 | 108.3 | S54 A55 D59 F60 | S54-N57 PolarHBondContact O-ND2 3.4Å; A55-N57 VanDerWaalsContact C-N 3.28Å; A55-N57 PolarHBondContact O-N 2.64Å; A55-N57 VanDerWaalsContact O-N 3.13Å; N57-D59 PolarHBondContact O-N 2.9Å; N57-F60 WeakPolarHBondContact O-CB 3.47Å; N57-F60 PolarHBondContact O-N 3.15Å | ||
| 58 | D | 67.6 | Low | 70.9 | Confident | 131 Ų | 131 | 101.7 Ų | 101.7 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.3 | -23.6 | 178.4 | -75.8 | -37.3 | 0 | 0 | 0 | 112.6 | F60 L61 A62 | D58-F60 VanDerWaalsContact C-N 3.34Å; D58-F60 PolarHBondContact O-N 2.81Å; D58-L61 PolarHBondContact O-N 3.27Å; D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 2.94Å |
| 59 | D | 67.1 | Low | 70 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.8 | -36.2 | 173.6 | -67 | -37.3 | 0 | 0 | 0 | 113.4 | N57 A62 D63 | N57-D59 PolarHBondContact O-N 2.9Å; D59-A62 PolarHBondContact O-N 3.47Å; D59-D63 WeakPolarHBondContact O-CB 3.48Å; D59-D63 PolarHBondContact O-N 3.42Å |
| 60 | F | 72.3 | Confident | 68.9 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.2 | -42.4 | 176.5 | 173.4 | -99.1 | 0 | 0 | 0 | 111.2 | N57 D58 D63 L64 | N57-F60 WeakPolarHBondContact O-CB 3.47Å; N57-F60 PolarHBondContact O-N 3.15Å; D58-F60 VanDerWaalsContact C-N 3.34Å; D58-F60 PolarHBondContact O-N 2.81Å; F60-D63 PolarHBondContact O-N 3.13Å; F60-L64 WeakPolarHBondContact O-CB 3.4Å; F60-L64 PolarHBondContact O-N 3.12Å |
| 61 | L | 76.3 | Confident | 67.7 | Low | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.346 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 176.2 | -66.9 | 176.2 | 0 | 0 | 0 | 110.4 | D58 L64 F65 | D58-L61 PolarHBondContact O-N 3.27Å; L61-L64 PolarHBondContact O-N 2.75Å; L61-F65 WeakPolarHBondContact O-CD2 3.47Å; L61-F65 PolarHBondContact O-N 3.36Å |
| 62 | A | 69.8 | Low | 66.2 | Low | 38 Ų | 38 | 106.8 Ų | 106.8 | 31% | 0.314 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.7 | -54.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | D58 D59 L64 F65 H66 | D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 2.94Å; D59-A62 PolarHBondContact O-N 3.47Å; A62-L64 VanDerWaalsContact C-N 3.29Å; A62-L64 PolarHBondContact O-N 3.49Å; A62-F65 PolarHBondContact O-N 2.84Å; A62-F65 VanDerWaalsContact O-N 3.15Å; A62-H66 VanDerWaalsContact C-ND1 3.28Å; A62-H66 WeakPolarHBondContact O-CB 3.42Å; A62-H66 PolarHBondContact O-N 3Å; A62-H66 PolarHBondContact O-ND1 2.98Å |
| 63 | D | 74.1 | Confident | 64.8 | Low | 90 Ų | 90 | 110.8 Ų | 110.8 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.6 | -39.8 | -178.1 | -151.8 | 38.2 | 0 | 0 | 0 | 111.9 | D59 F60 F65 H66 H67 | D59-D63 WeakPolarHBondContact O-CB 3.48Å; D59-D63 PolarHBondContact O-N 3.42Å; F60-D63 PolarHBondContact O-N 3.13Å; D63-F65 PolarHBondContact O-N 3.31Å; D63-H66 PolarHBondContact O-N 3.1Å; D63-H67 VanDerWaalsContact CG-CD2 3.43Å; D63-H67 PolarHBondContact O-CD2 3.09Å; D63-H67 PolarHBondContact O-N 3.34Å; D63-H67 IonicContact OD1-CD2 3.08Å; D63-H67 PolarHBondContact OD1-CD2 3.38Å; D63-H67 IonicContact OD1-CE1 3.86Å; D63-H67 IonicContact OD1-NE2 3.08Å; D63-H67 PolarHBondContact OD1-NE2 3.33Å; D63-H67 IonicContact OD2-CD2 3.26Å; D63-H67 PolarHBondContact OD2-CD2 3.18Å; D63-H67 IonicContact OD2-NE2 3.83Å; D63-H67 PolarHBondContact OD2-NE2 3.34Å |
| 64 | L | 78.5 | Confident | 63.7 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.5 | -43.4 | 175.9 | -174.6 | 61.9 | 0 | 0 | 0 | 113.1 | F60 L61 A62 G68 | F60-L64 WeakPolarHBondContact O-CB 3.4Å; F60-L64 PolarHBondContact O-N 3.12Å; L61-L64 PolarHBondContact O-N 2.75Å; A62-L64 VanDerWaalsContact C-N 3.29Å; A62-L64 PolarHBondContact O-N 3.49Å; L64-G68 PolarHBondContact O-N 3.38Å |
| 65 | F | 67.6 | Low | 62.4 | Low | 162 Ų | 162 | 119 Ų | 119 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.3 | -27.1 | 176.7 | -75.3 | -69.7 | 0 | 0 | 0 | 113 | L61 A62 D63 | L61-F65 WeakPolarHBondContact O-CD2 3.47Å; L61-F65 PolarHBondContact O-N 3.36Å; A62-F65 PolarHBondContact O-N 2.84Å; A62-F65 VanDerWaalsContact O-N 3.15Å; D63-F65 PolarHBondContact O-N 3.31Å |
| 66 | H | 69.9 | Low | 61.3 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.9 | -31 | 177 | -70.4 | 96.4 | 0 | 0 | 0 | 113.2 | A62 D63 | A62-H66 VanDerWaalsContact C-ND1 3.28Å; A62-H66 WeakPolarHBondContact O-CB 3.42Å; A62-H66 PolarHBondContact O-N 3Å; A62-H66 PolarHBondContact O-ND1 2.98Å; D63-H66 PolarHBondContact O-N 3.1Å |
| 67 | H | 57.8 | Low | 60.1 | Low | 101 Ų | 101 | 126.8 Ų | 126.8 | 47% | 0.468 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -77 | -29.5 | 177 | -72.3 | -57.5 | 0 | 0 | 0 | 113.7 | D63 A69 R70 | D63-H67 VanDerWaalsContact CG-CD2 3.43Å; D63-H67 PolarHBondContact O-CD2 3.09Å; D63-H67 PolarHBondContact O-N 3.34Å; D63-H67 IonicContact OD1-CD2 3.08Å; D63-H67 PolarHBondContact OD1-CD2 3.38Å; D63-H67 IonicContact OD1-CE1 3.86Å; D63-H67 IonicContact OD1-NE2 3.08Å; D63-H67 PolarHBondContact OD1-NE2 3.33Å; D63-H67 IonicContact OD2-CD2 3.26Å; D63-H67 PolarHBondContact OD2-CD2 3.18Å; D63-H67 IonicContact OD2-NE2 3.83Å; D63-H67 PolarHBondContact OD2-NE2 3.34Å; H67-A69 VanDerWaalsContact C-N 3.32Å; H67-A69 PolarHBondContact O-N 2.84Å; H67-R70 PolarHBondContact O-N 2.94Å |
| 68 | G | 56.3 | Low | 58.7 | Low | 47 Ų | 47 | 128.1 Ų | 128.1 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.5 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L64 R70 | L64-G68 PolarHBondContact O-N 3.38Å; G68-R70 VanDerWaalsContact C-N 3.31Å; G68-R70 PolarHBondContact O-N 3.41Å |
| 69 | A | 57.6 | Low | 57.4 | Low | 65 Ų | 65 | 124.6 Ų | 124.6 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -75.8 | -12.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H67 | H67-A69 VanDerWaalsContact C-N 3.32Å; H67-A69 PolarHBondContact O-N 2.84Å |
| 70 | R | 55 | Low | 56 | Low | 188 Ų | 188 | 126.3 Ų | 126.3 | 71% | 0.709 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -89.7 | -22.2 | -179.1 | -72.5 | -168.3 | 168.9 | 159.5 | 0.1 | 114 | H67 G68 D72 K73 | H67-R70 PolarHBondContact O-N 2.94Å; G68-R70 VanDerWaalsContact C-N 3.31Å; G68-R70 PolarHBondContact O-N 3.41Å; R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 PolarHBondContact O-N 3.07Å; R70-K73 PolarHBondContact O-N 3.03Å |
| 71 | Q | 52.1 | Low | 54 | Low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.9 | -27.8 | 178.3 | -68.6 | -110.6 | -31.6 | 0 | 0 | 112.1 | ||
| 72 | D | 48.3 | Very low | 52.1 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -24.6 | 179.1 | -70.9 | -38.9 | 0 | 0 | 0 | 113.7 | R70 | R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 PolarHBondContact O-N 3.07Å |
| 73 | K | 49.6 | Very low | 50.3 | Low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -84.5 | -18.2 | -177.2 | -73.9 | -163.5 | 178.6 | -172.1 | 0 | 114.8 | R70 K75 M76 | R70-K73 PolarHBondContact O-N 3.03Å; K73-K75 PolarHBondContact O-N 3.33Å; K73-M76 PolarHBondContact O-N 3.28Å |
| 74 | L | 47.2 | Very low | 48.4 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -74 | -12.7 | 178.5 | -115.1 | 83.2 | 0 | 0 | 0 | 113.8 | ||
| 75 | K | 43.5 | Very low | 46.3 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -93.7 | -8.8 | 177.6 | -139.5 | 165.9 | -177 | 174.3 | 0 | 113.6 | K73 | K73-K75 PolarHBondContact O-N 3.33Š|
| 76 | M | 41.9 | Very low | 45.4 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -67.8 | -28.1 | 176.9 | 48.5 | 154.3 | 49.4 | 0 | 0 | 118.4 | K73 | K73-M76 PolarHBondContact O-N 3.28Š|
| 77 | M | 41.3 | Very low | 44.2 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 89% | 0.892 | 76% | 0.755 | S | S | * | * | trans | -125 | 30.1 | -156.2 | -135 | 165 | 86.9 | 0 | 0 | 114.8 | ||||
| 78 | S | 39.8 | Very low | 43.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -106.7 | 64.9 | 168.2 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | G | 40.6 | Very low | 42.2 | Very low | 56 Ų | 56 | 145.5 Ų | 145.5 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | trans | -147.5 | 121 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 80 | D | 36.7 | Very low | 41 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 83.3 | 91.4 | 163.6 | -47.3 | -40.3 | 0 | 0 | 0 | 118.6 | ||||
| 81 | F | 30.5 | Very low | 40.2 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -145.3 | 107.6 | 137 | -156.5 | -95.9 | 0 | 0 | 0 | 110 | ||||
| 82 | D | 37 | Very low | 39.4 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -94.6 | 126.9 | 173.8 | -165.6 | 0.2 | 0 | 0 | 0 | 108.9 | ||||
| 83 | S | 31.9 | Very low | 39 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -173.8 | 111.6 | 153.9 | -88.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 84 | A | 33 | Very low | 38.5 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 69.6 | 117.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 85 | A | 35.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -73.3 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 86 | P | 47.5 | Very low | 37.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -145.8 | 171.7 | 64.4 | 34 | -11.1 | 0 | 0 | 0 | 117.9 | |||||
| 87 | L | 45.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 145.8 | 177.6 | -65.7 | 96 | 0 | 0 | 0 | 115 | ||||
| 88 | Y | 35.5 | Very low | 36.8 | Very low | 210 Ų | 210 | 141 Ų | 141 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -168.2 | 134.4 | 137.3 | -160.7 | -115.7 | 0 | 0 | 0 | 113.7 | ||||
| 89 | M | 35.8 | Very low | 37.4 | Very low | 129 Ų | 129 | 139 Ų | 139 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | trans | 97.7 | 98.1 | 157.2 | -133 | 83.5 | -45.9 | 0 | 0 | 122.7 | ||||
| 90 | S | 32.5 | Very low | 36.9 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -44.6 | 156.5 | 158.7 | -174.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 91 | G | 38.3 | Very low | 36.8 | Very low | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | -73.7 | -169.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 92 | Y | 36 | Very low | 36.9 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -177.5 | 135.3 | 155.3 | -118.9 | -119.8 | 0 | 0 | 0 | 111.6 | ||||
| 93 | M | 39.5 | Very low | 37 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | 86 | 91 | 151 | -51.9 | -62.7 | 88.4 | 0 | 0 | 121.5 | ||||
| 94 | D | 38.7 | Very low | 37.4 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -56.6 | 162.3 | 135.8 | -179.6 | 28.1 | 0 | 0 | 0 | 112.8 | ||||
| 95 | S | 34.2 | Very low | 37.9 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 81.1 | 107.2 | 169.6 | -65.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 96 | K | 34.8 | Very low | 38.6 | Very low | 214 Ų | 214 | 147 Ų | 147 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | -161.5 | 128.5 | 117.3 | -40.1 | -171.9 | -166.5 | -165.8 | 0 | 111.4 | |||||
| 97 | M | 30.8 | Very low | 38.5 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | trans | -59.6 | 139.1 | 177.9 | -67.6 | -161.1 | -168.7 | 0 | 0 | 115.2 | ||||
| 98 | E | 39.8 | Very low | 38.6 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | 65.6 | 155.7 | 90.9 | -101.1 | -93.1 | 127 | 0 | 0 | 115 | |||||
| 99 | P | 50.5 | Low | 39.7 | Very low | 84 Ų | 84 | 151.2 Ų | 151.2 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | cis | -140.9 | 174.2 | 4.5 | 43.3 | -25.1 | 0 | 0 | 0 | 116.6 | ||||
| 100 | F | 30.3 | Very low | 40.3 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | 161.5 | 102.3 | 131.7 | -95.4 | -77.8 | 0 | 0 | 0 | 112.6 | ||||
| 101 | Y | 35.3 | Very low | 40.9 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 35.9 | 137.3 | 141.1 | -92.4 | -78.7 | 0 | 0 | 0 | 120 | ||||
| 102 | E | 31.7 | Very low | 41.6 | Very low | 128 Ų | 128 | 153.8 Ų | 153.8 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | cis | -173.7 | 150 | 30.3 | -172.1 | 125.3 | -150.4 | 0 | 0 | 109.6 | ||||
| 103 | H | 40.9 | Very low | 42.1 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 81.8 | 107.8 | 162.2 | -64.6 | -30.8 | 0 | 0 | 0 | 121.9 | ||||
| 104 | N | 39 | Very low | 42.5 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -118.3 | 125.2 | 178 | -167.7 | 14.3 | 0 | 0 | 0 | 106.8 | ||||
| 105 | P | 45 | Very low | 42.8 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 147.7 | 160.1 | 31.3 | -28.7 | 0 | 0 | 0 | 108.9 | R107 | P105-R107 PolarHBondContact O-N 3.39Å; P105-R107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | P | 48.5 | Very low | 43.5 | Very low | 118 Ų | 118 | 159.5 Ų | 159.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 115.5 | -160.7 | 27.2 | -33.3 | 0 | 0 | 0 | 111.7 | I108 | P106-I108 PolarHBondContact O-N 2.91Å; P106-I108 VanDerWaalsContact O-N 3.13Å | ||
| 107 | R | 47.1 | Very low | 43.9 | Very low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -61 | 110.6 | 163.5 | -171.5 | -179.7 | -96.5 | 146.5 | -8.3 | 107.8 | P105 R109 | P105-R107 PolarHBondContact O-N 3.39Å; P105-R107 VanDerWaalsContact O-N 3.11Å; R107-R109 PolarHBondContact O-N 3.47Å; R107-R109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | I | 46.8 | Very low | 44.5 | Very low | 158 Ų | 158 | 155.9 Ų | 155.9 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -55.4 | 116.6 | 179.7 | -61.6 | 168.1 | 0 | 0 | 0 | 108.5 | P106 | P106-I108 PolarHBondContact O-N 2.91Å; P106-I108 VanDerWaalsContact O-N 3.13Å | ||
| 109 | R | 58.1 | Low | 44.3 | Very low | 215 Ų | 215 | 155.4 Ų | 155.4 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -70.6 | 143 | 170.7 | -62.4 | -175.4 | -174.7 | 179.5 | 1.6 | 108.6 | R107 V111 | R107-R109 PolarHBondContact O-N 3.47Å; R107-R109 VanDerWaalsContact O-N 3.15Å; R109-V111 PolarHBondContact O-N 2.92Å | ||
| 110 | P | 48.6 | Very low | 43.8 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -59.5 | 113.3 | 167.4 | -16.5 | 29.2 | 0 | 0 | 0 | 108.4 | ||||
| 111 | V | 45.5 | Very low | 44.4 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -78 | 128.5 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 107.6 | R109 I113 | R109-V111 PolarHBondContact O-N 2.92Å; V111-I113 PolarHBondContact O-N 3.22Å | ||
| 112 | A | 52.3 | Low | 44.6 | Very low | 91 Ų | 91 | 155.1 Ų | 155.1 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 125.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | K114 | A112-K114 PolarHBondContact O-N 3.44Š| ||
| 113 | I | 46 | Very low | 45.2 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 112.2 | 176.8 | -65 | 167.9 | 0 | 0 | 0 | 107.5 | V111 Q115 | V111-I113 PolarHBondContact O-N 3.22Å; I113-Q115 PolarHBondContact O-N 3.49Å | ||
| 114 | K | 48.8 | Very low | 44.9 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -68 | 109.9 | 169.3 | -159.6 | 178.7 | -176.2 | -170.5 | 0 | 106.8 | A112 E116 | A112-K114 PolarHBondContact O-N 3.44Å; K114-E116 PolarHBondContact O-N 2.97Å | ||
| 115 | Q | 43.9 | Very low | 44.8 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.2 | 164.2 | -76.9 | -178.6 | 13.4 | 0 | 0 | 107.5 | I113 | I113-Q115 PolarHBondContact O-N 3.49Š|
| 116 | E | 49.2 | Very low | 44.3 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 141.3 | 170.5 | -75.5 | -162.5 | 147.5 | 0 | 0 | 109.8 | K114 R118 | K114-E116 PolarHBondContact O-N 2.97Å; E116-R118 PolarHBondContact O-N 3.33Å |
| 117 | P | 43.8 | Very low | 44.1 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128 | 175.1 | -19.5 | 31.8 | 0 | 0 | 0 | 110.4 | D119 | P117-D119 PolarHBondContact O-N 2.74Š|
| 118 | R | 43.4 | Very low | 44.1 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.2 | 168.3 | -179.2 | 178.7 | -179.4 | 145.5 | 0.5 | 107.8 | E116 D120 | E116-R118 PolarHBondContact O-N 3.33Å; R118-D120 IonicContact NE-OD1 2.75Å; R118-D120 PolarHBondContact O-N 3.15Å; R118-D120 VanDerWaalsContact O-N 3.16Å |
| 119 | D | 35.4 | Very low | 44.1 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 106.9 | 170 | -68.8 | -49.8 | 0 | 0 | 0 | 108.4 | P117 | P117-D119 PolarHBondContact O-N 2.74Š| ||
| 120 | D | 39.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | trans | -104.2 | 94 | 169.6 | -70.6 | -56.5 | 0 | 0 | 0 | 107.9 | R118 | R118-D120 IonicContact NE-OD1 2.75Å; R118-D120 PolarHBondContact O-N 3.15Å; R118-D120 VanDerWaalsContact O-N 3.16Å | ||
| 121 | E | 43.3 | Very low | 42.5 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 78.9 | 165.9 | -77.5 | -72.5 | 117.4 | 0 | 0 | 108.6 | ||||
| 122 | D | 40.5 | Very low | 42 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 87 | 153.2 | -88.1 | -46.1 | 0 | 0 | 0 | 107.8 | N124 | D122-N124 PolarHBondContact O-N 3.08Š| ||
| 123 | L | 43.3 | Very low | 41.4 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -55.1 | 112.2 | 162.7 | -87.9 | 147.8 | 0 | 0 | 0 | 109.5 | ||||
| 124 | N | 34.2 | Very low | 41.6 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -149.6 | 141 | 141.2 | -128.6 | -11.8 | 0 | 0 | 0 | 114.4 | D122 | D122-N124 PolarHBondContact O-N 3.08Š| ||
| 125 | L | 37.3 | Very low | 41.2 | Very low | 142 Ų | 142 | 153 Ų | 153 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -66.4 | 153.5 | -161.9 | -65.7 | 74.1 | 0 | 0 | 0 | 115.2 | ||||
| 126 | S | 34.2 | Very low | 41.9 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 125.1 | 112 | 129.1 | -49.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 127 | L | 44.9 | Very low | 41.4 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 27.8 | 147.4 | 152.1 | -98.5 | 70.7 | 0 | 0 | 0 | 123.8 | ||||
| 128 | P | 47.3 | Very low | 41.9 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -98.8 | 165.5 | -176.8 | 40.1 | -32.8 | 0 | 0 | 0 | 114.3 | ||||
| 129 | P | 47 | Very low | 41.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -135.4 | 128.9 | 136.6 | 33.2 | -18.1 | 0 | 0 | 0 | 111.6 | ||||
| 130 | S | 32.9 | Very low | 41.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | 79.8 | 131 | 84.6 | -147 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 131 | Y | 40 | Very low | 41.8 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -41.8 | 150.2 | -174.9 | -83.5 | -103.3 | 0 | 0 | 0 | 116.2 | ||||
| 132 | H | 34.6 | Very low | 41.3 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | -165.7 | 127.6 | 129 | -102.6 | 37.9 | 0 | 0 | 0 | 112.8 | |||||
| 133 | H | 39.3 | Very low | 41.4 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -105.2 | 148.6 | 158.8 | -159.9 | 62.8 | 0 | 0 | 0 | 105.2 | ||||
| 134 | P | 51 | Low | 41 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | -161 | 166.2 | 75.6 | 40 | -16.7 | 0 | 0 | 0 | 120.5 | |||||
| 135 | H | 39.7 | Very low | 41.1 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 73.4 | 140.6 | 141.1 | -79.3 | -57.8 | 0 | 0 | 0 | 125 | ||||
| 136 | P | 59 | Low | 41.1 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | -101.6 | 167 | 176.4 | 40.8 | -32 | 0 | 0 | 0 | 112.8 | ||||
| 137 | H | 38.9 | Very low | 41.7 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | 176.5 | 167.6 | 148 | -92.3 | -40.5 | 0 | 0 | 0 | 113.3 | ||||
| 138 | P | 55.3 | Low | 41.5 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -117.3 | 175.4 | -127.7 | 44.6 | -38.3 | 0 | 0 | 0 | 118.1 | |||||
| 139 | H | 37.2 | Very low | 41.2 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 71 | 119.9 | 145.5 | -124.8 | 62.4 | 0 | 0 | 0 | 121.2 | ||||
| 140 | S | 36.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -167.1 | 135.8 | 130.4 | -85.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 141 | Q | 40.9 | Very low | 42 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 147.7 | 174.3 | -68.3 | 174.1 | 3.5 | 0 | 0 | 112.2 | ||||
| 142 | Y | 34.4 | Very low | 42.5 | Very low | 236 Ų | 236 | 154.4 Ų | 154.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | -165.3 | 147.4 | 124.5 | -94.7 | -71.9 | 0 | 0 | 0 | 110 | |||||
| 143 | S | 41.2 | Very low | 43.4 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -86.4 | 139.8 | -166 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 144 | Q | 35 | Very low | 44.9 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 165.6 | 136.9 | 136.3 | -93.7 | -93.1 | 53.7 | 0 | 0 | 114 | ||||
| 145 | H | 36.2 | Very low | 46 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | trans | 67.8 | 103.6 | 165.7 | -56.2 | -61 | 0 | 0 | 0 | 119.9 | Q147 | H145-Q147 PolarHBondContact O-N 3.04Š| ||
| 146 | H | 38 | Very low | 47.5 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -75.4 | 107.8 | 167.3 | -69.8 | 67.9 | 0 | 0 | 0 | 110.5 | ||||
| 147 | Q | 47.3 | Very low | 48 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 135.3 | 150.5 | -83.3 | -172.8 | -23.2 | 0 | 0 | 107.7 | H145 | H145-Q147 PolarHBondContact O-N 3.04Š|
| 148 | P | 40.1 | Very low | 49.8 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 142.6 | 174.5 | 27.4 | -31.6 | 0 | 0 | 0 | 109.4 | Q150 | P148-Q150 PolarHBondContact O-N 2.75Š|
| 149 | P | 41.3 | Very low | 50.8 | Low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.6 | -177.1 | 24.8 | -31.5 | 0 | 0 | 0 | 109.5 | Q151 | P149-Q151 VanDerWaalsContact C-N 3.29Å; P149-Q151 PolarHBondContact O-N 2.98Å |
| 150 | Q | 45.9 | Very low | 52.8 | Low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -62.1 | 96 | 165.1 | -78.1 | -139.9 | 9.1 | 0 | 0 | 108.4 | P148 Q152 | P148-Q150 PolarHBondContact O-N 2.75Å; Q150-Q152 PolarHBondContact O-N 3.45Å | ||
| 151 | Q | 49.8 | Very low | 54.4 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | trans | -58.6 | 117.5 | 157.6 | -81.9 | 170.9 | -7.1 | 0 | 0 | 106.7 | P149 M153 | P149-Q151 VanDerWaalsContact C-N 3.29Å; P149-Q151 PolarHBondContact O-N 2.98Å; Q151-M153 PolarHBondContact O-N 3.29Å | ||
| 152 | Q | 50.7 | Low | 55.8 | Low | 195 Ų | 195 | 134.9 Ų | 134.9 | 91% | 0.911 | 67% | 0.669 | S | S | * | * | trans | -58.6 | 90.9 | 167.2 | -78.6 | -178.9 | -14 | 0 | 0 | 107.8 | Q150 | Q150-Q152 PolarHBondContact O-N 3.45Š| ||
| 153 | M | 53 | Low | 57.6 | Low | 97 Ų | 97 | 127.6 Ų | 127.6 | 48% | 0.478 | 65% | 0.652 | S | S | . | * | trans | -63.6 | 134.1 | 169.9 | -81.1 | -87.3 | -84.8 | 0 | 0 | 107.6 | Q151 H155 Q157 | Q151-M153 PolarHBondContact O-N 3.29Å; M153-H155 PolarHBondContact O-N 3.3Å; M153-Q157 HydrophobicContact CE-CB 3.75Å; M153-Q157 HydrophobicContact CE-CG 3.33Å; M153-Q157 HydrophobicContact SD-CB 4.41Å; M153-Q157 HydrophobicContact SD-CG 4.27Å | ||
| 154 | P | 71.7 | Confident | 58.7 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -54.8 | 136.9 | 178.9 | 21.7 | -30.4 | 0 | 0 | 0 | 108.8 | L156 Q157 Y158 | P154-L156 CarbonylContact O-C 3.59Å; P154-L156 PolarHBondContact O-N 2.92Å; P154-Q157 HydrophobicContact CG-CB 4.18Å; P154-Q157 WeakPolarHBondContact O-CB 3.38Å; P154-Q157 PolarHBondContact O-N 3Å; P154-Y158 PolarHBondContact O-N 2.83Å | ||
| 155 | H | 75.1 | Confident | 59.9 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -45.7 | -33.7 | -171.6 | -178.1 | 6.4 | 0 | 0 | 0 | 113.7 | M153 Q157 Y158 Q159 | M153-H155 PolarHBondContact O-N 3.3Å; H155-Q157 PolarHBondContact O-N 3.17Å; H155-Y158 PolarHBondContact O-N 3.18Å; H155-Q159 WeakPolarHBondContact O-CB 3.39Å; H155-Q159 PolarHBondContact O-N 3.03Å |
| 156 | L | 69.8 | Low | 61 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.3 | -42.4 | 175.3 | -174.7 | 65.6 | 0 | 0 | 0 | 113.1 | P154 Q159 I160 | P154-L156 CarbonylContact O-C 3.59Å; P154-L156 PolarHBondContact O-N 2.92Å; L156-Q159 WeakPolarHBondContact O-CB 3.42Å; L156-Q159 PolarHBondContact O-N 2.89Å; L156-I160 HydrophobicContact CG-CD1 4.01Å; L156-I160 WeakPolarHBondContact O-CD1 3.38Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.27Å |
| 157 | Q | 69.3 | Low | 61.5 | Low | 95 Ų | 95 | 118.5 Ų | 118.5 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.9 | -33.3 | -177.6 | -146.3 | 164.8 | -5.9 | 0 | 0 | 111.8 | M153 P154 H155 A161 | M153-Q157 HydrophobicContact CE-CB 3.75Å; M153-Q157 HydrophobicContact CE-CG 3.33Å; M153-Q157 HydrophobicContact SD-CB 4.41Å; M153-Q157 HydrophobicContact SD-CG 4.27Å; P154-Q157 HydrophobicContact CG-CB 4.18Å; P154-Q157 WeakPolarHBondContact O-CB 3.38Å; P154-Q157 PolarHBondContact O-N 3Å; H155-Q157 PolarHBondContact O-N 3.17Å; Q157-A161 WeakPolarHBondContact O-CB 3.25Å; Q157-A161 PolarHBondContact O-N 3.41Å |
| 158 | Y | 77.3 | Confident | 61.5 | Low | 146 Ų | 146 | 117.8 Ų | 117.8 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.2 | -43.8 | 166.6 | -179.2 | -96 | 0 | 0 | 0 | 111.3 | P154 H155 A161 H162 | P154-Y158 PolarHBondContact O-N 2.83Å; H155-Y158 PolarHBondContact O-N 3.18Å; Y158-A161 PolarHBondContact O-N 3.48Å; Y158-H162 AromaticContact CE1-CD2 3.92Å; Y158-H162 AromaticContact CZ-CD2 3.66Å; Y158-H162 PolarHBondContact O-N 3.29Å |
| 159 | Q | 77.3 | Confident | 61.9 | Low | 104 Ų | 104 | 120 Ų | 120 | 49% | 0.486 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -40.7 | 178.6 | -168 | 171 | 17.3 | 0 | 0 | 112.2 | H155 L156 H162 C163 | H155-Q159 WeakPolarHBondContact O-CB 3.39Å; H155-Q159 PolarHBondContact O-N 3.03Å; L156-Q159 WeakPolarHBondContact O-CB 3.42Å; L156-Q159 PolarHBondContact O-N 2.89Å; Q159-H162 PolarHBondContact O-N 3.02Å; Q159-C163 WeakPolarHBondContact O-CB 3.48Å; Q159-C163 PolarHBondContact O-N 2.95Å; Q159-C163 PolarHBondContact O-SG 3.45Å |
| 160 | I | 78.2 | Confident | 62.2 | Low | 104 Ų | 104 | 122.2 Ų | 122.2 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.1 | -46.4 | 175.3 | -68.3 | 161.7 | 0 | 0 | 0 | 110.7 | L156 H162 C163 A164 | L156-I160 HydrophobicContact CG-CD1 4.01Å; L156-I160 WeakPolarHBondContact O-CD1 3.38Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.27Å; I160-H162 VanDerWaalsContact C-N 3.32Å; I160-H162 PolarHBondContact O-N 3.45Å; I160-C163 PolarHBondContact O-N 3.35Å; I160-A164 WeakPolarHBondContact O-CB 3.45Å; I160-A164 PolarHBondContact O-N 3.42Å |
| 161 | A | 70.3 | Confident | 62.2 | Low | 46 Ų | 46 | 120.9 Ų | 120.9 | 38% | 0.38 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q157 Y158 A164 Q165 | Q157-A161 WeakPolarHBondContact O-CB 3.25Å; Q157-A161 PolarHBondContact O-N 3.41Å; Y158-A161 PolarHBondContact O-N 3.48Å; A161-A164 PolarHBondContact O-N 3.33Å; A161-Q165 WeakPolarHBondContact O-CG 3.13Å; A161-Q165 PolarHBondContact O-N 3.4Å; A161-Q165 PolarHBondContact O-NE2 2.93Å |
| 162 | H | 70.4 | Confident | 62 | Low | 97 Ų | 97 | 119.3 Ų | 119.3 | 45% | 0.449 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.5 | -37.2 | 179.3 | -126.6 | -78.6 | 0 | 0 | 0 | 112.9 | Y158 Q159 I160 A164 Q165 T166 | Y158-H162 AromaticContact CE1-CD2 3.92Å; Y158-H162 AromaticContact CZ-CD2 3.66Å; Y158-H162 PolarHBondContact O-N 3.29Å; Q159-H162 PolarHBondContact O-N 3.02Å; I160-H162 VanDerWaalsContact C-N 3.32Å; I160-H162 PolarHBondContact O-N 3.45Å; H162-A164 VanDerWaalsContact C-N 3.34Å; H162-Q165 PolarHBondContact O-N 3.45Å; H162-T166 PolarHBondContact O-OG1 3.17Å |
| 163 | C | 72.6 | Confident | 61.8 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 57% | 0.568 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.4 | -41.5 | 173.3 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | Q159 I160 Q165 T166 | Q159-C163 WeakPolarHBondContact O-CB 3.48Å; Q159-C163 PolarHBondContact O-N 2.95Å; Q159-C163 PolarHBondContact O-SG 3.45Å; I160-C163 PolarHBondContact O-N 3.35Å; C163-Q165 VanDerWaalsContact C-N 3.26Å; C163-Q165 PolarHBondContact O-N 3.23Å; C163-T166 PolarHBondContact O-N 3.2Å |
| 164 | A | 62.8 | Low | 61.4 | Low | 62 Ų | 62 | 116.9 Ų | 116.9 | 51% | 0.512 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -29.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | I160 A161 H162 T166 T167 | I160-A164 WeakPolarHBondContact O-CB 3.45Å; I160-A164 PolarHBondContact O-N 3.42Å; A161-A164 PolarHBondContact O-N 3.33Å; H162-A164 VanDerWaalsContact C-N 3.34Å; A164-T166 VanDerWaalsContact C-N 3.32Å; A164-T166 PolarHBondContact O-N 3.4Å; A164-T167 VanDerWaalsContact O-CG2 3.29Å; A164-T167 WeakPolarHBondContact O-CG2 3.48Å |
| 165 | Q | 61 | Low | 60.4 | Low | 138 Ų | 138 | 118.8 Ų | 118.8 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.7 | -16.2 | 179.5 | -71.9 | 170.5 | 40.8 | 0 | 0 | 113.9 | A161 H162 C163 T167 | A161-Q165 WeakPolarHBondContact O-CG 3.13Å; A161-Q165 PolarHBondContact O-N 3.4Å; A161-Q165 PolarHBondContact O-NE2 2.93Å; H162-Q165 PolarHBondContact O-N 3.45Å; C163-Q165 VanDerWaalsContact C-N 3.26Å; C163-Q165 PolarHBondContact O-N 3.23Å; Q165-T167 VanDerWaalsContact C-N 3.28Å; Q165-T167 PolarHBondContact O-N 3.14Å |
| 166 | T | 58 | Low | 59.4 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -9.6 | -179.5 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | H162 C163 A164 | H162-T166 PolarHBondContact O-OG1 3.17Å; C163-T166 PolarHBondContact O-N 3.2Å; A164-T166 VanDerWaalsContact C-N 3.32Å; A164-T166 PolarHBondContact O-N 3.4Å |
| 167 | T | 49.6 | Very low | 59 | Low | 99 Ų | 99 | 117.1 Ų | 117.1 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 1.5 | -170.4 | -161.2 | 0 | 0 | 0 | 0 | 116.2 | A164 Q165 | A164-T167 VanDerWaalsContact O-CG2 3.29Å; A164-T167 WeakPolarHBondContact O-CG2 3.48Å; Q165-T167 VanDerWaalsContact C-N 3.28Å; Q165-T167 PolarHBondContact O-N 3.14Å |
| 168 | M | 46.8 | Very low | 58.5 | Low | 165 Ų | 165 | 118.2 Ų | 118.2 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | trans | -132.8 | 41.3 | -173 | -61.3 | -64.5 | -86.9 | 0 | 0 | 114.8 | ||||
| 169 | H | 49.2 | Very low | 57.3 | Low | 162 Ų | 162 | 117 Ų | 117 | 75% | 0.75 | 68% | 0.675 | S | S | * | * | trans | -123.7 | 64.8 | 162.4 | -156.9 | 83.5 | 0 | 0 | 0 | 111.3 | ||||
| 170 | L | 46.8 | Very low | 56 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | trans | -120.2 | 112.5 | 165.9 | -74.2 | 162 | 0 | 0 | 0 | 107.5 | ||||
| 171 | Q | 45.9 | Very low | 54.6 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -61.7 | 131.9 | 172.5 | -78.1 | -71.7 | -7.2 | 0 | 0 | 109.9 | G173 | Q171-G173 PolarHBondContact O-N 2.91Š| ||
| 172 | P | 45.9 | Very low | 53.4 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -72.8 | 116 | 177.6 | -13.7 | 28.4 | 0 | 0 | 0 | 111 | ||
| 173 | G | 47.7 | Very low | 52.1 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 140.2 | 46 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120 | Q171 | Q171-G173 PolarHBondContact O-N 2.91Š| ||
| 174 | H | 43.4 | Very low | 50.7 | Low | 173 Ų | 173 | 126 Ų | 126 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -143.7 | 128.9 | 163.5 | -111.3 | -84.7 | 0 | 0 | 0 | 112.6 | T176 | H174-T176 PolarHBondContact O-N 3.08Š| ||
| 175 | P | 51.6 | Low | 50.1 | Low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -96.4 | 87.1 | 175.8 | 35.6 | -26.7 | 0 | 0 | 0 | 109.8 | ||||
| 176 | T | 54.6 | Low | 49.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -160.6 | 131.6 | 158.4 | 40.5 | 0 | 0 | 0 | 0 | 108.7 | H174 | H174-T176 PolarHBondContact O-N 3.08Š| ||
| 177 | P | 59.3 | Low | 48.1 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 143 | 172.2 | 28.1 | -32.6 | 0 | 0 | 0 | 109.4 | ||
| 178 | P | 60 | Low | 48 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.4 | 177.9 | 26 | -32.6 | 0 | 0 | 0 | 109.6 | T180 | P178-T180 PolarHBondContact O-N 2.7Š|
| 179 | P | 52.4 | Low | 47.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126 | 173.4 | 25.1 | -30.9 | 0 | 0 | 0 | 108.7 | ||
| 180 | T | 48.8 | Very low | 47.4 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 130.5 | 168 | 10.8 | 0 | 0 | 0 | 0 | 109.3 | P178 V182 | P178-T180 PolarHBondContact O-N 2.7Å; T180-V182 PolarHBondContact O-N 3.02Å |
| 181 | P | 49.1 | Very low | 47 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 109.6 | 178.9 | 26.4 | -31.1 | 0 | 0 | 0 | 108.9 | ||||
| 182 | V | 46.2 | Very low | 47.3 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -68.5 | 133.7 | 168.1 | -122.7 | 0 | 0 | 0 | 0 | 108.3 | T180 S184 | T180-V182 PolarHBondContact O-N 3.02Å; V182-S184 PolarHBondContact O-N 3.4Å | ||
| 183 | P | 41.7 | Very low | 47 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -77 | 111.5 | 177.1 | 29.4 | -29.4 | 0 | 0 | 0 | 109.5 | ||||
| 184 | S | 44.6 | Very low | 46.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -81.9 | 146.8 | 169.7 | -86.9 | 0 | 0 | 0 | 0 | 112.1 | V182 | V182-S184 PolarHBondContact O-N 3.4Š| ||
| 185 | P | 49.3 | Very low | 46.4 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 140.9 | -170.3 | -0.7 | 23 | 0 | 0 | 0 | 113.4 | ||||
| 186 | H | 41.6 | Very low | 45.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | 61.3 | 112.4 | 155.6 | -58.2 | -65 | 0 | 0 | 0 | 120.8 | ||||
| 187 | H | 36.7 | Very low | 45.5 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -145.1 | 130.6 | 135.9 | -82.1 | -33.4 | 0 | 0 | 0 | 110.6 | ||||
| 188 | P | 46.4 | Very low | 45 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -93.8 | 118.7 | 169.9 | 33.6 | -24 | 0 | 0 | 0 | 109.5 | ||||
| 189 | H | 38.9 | Very low | 44.4 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | trans | -116.1 | 111.2 | 164.4 | -74.7 | -44.9 | 0 | 0 | 0 | 109.7 | ||||
| 190 | Q | 43.7 | Very low | 44.5 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -78.9 | 139.5 | 165.5 | -64.6 | 174.3 | -9.8 | 0 | 0 | 109.2 | ||||
| 191 | H | 39.7 | Very low | 43.9 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -179.7 | 161.8 | 137.1 | -105.8 | -72.5 | 0 | 0 | 0 | 110.5 | ||||
| 192 | P | 51.2 | Low | 44 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | -124.8 | 174.9 | -128.6 | 21.7 | 5.4 | 0 | 0 | 0 | 113.8 | |||||
| 193 | Q | 41.1 | Very low | 44.3 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 36.9 | 119.7 | 150.3 | -68.5 | -150.8 | 42.8 | 0 | 0 | 121.1 | ||||
| 194 | Q | 40.5 | Very low | 44.1 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | -168.6 | 114.5 | 126.4 | -98.5 | 165 | 35.6 | 0 | 0 | 105.3 | |||||
| 195 | G | 37 | Very low | 44.2 | Very low | 86 Ų | 86 | 155.5 Ų | 155.5 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | 97.2 | 87.9 | 68.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 196 | G | 35.7 | Very low | 44.2 | Very low | 79 Ų | 79 | 154.5 Ų | 154.5 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -176.6 | 83.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K198 | G196-K198 PolarHBondContact O-N 3.48Š| ||
| 197 | L | 51.8 | Low | 44.2 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -72.1 | 112.4 | 167.7 | -65.6 | 169.8 | 0 | 0 | 0 | 109.3 | ||||
| 198 | K | 48.8 | Very low | 44.8 | Very low | 204 Ų | 204 | 152.6 Ų | 152.6 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -144.3 | 92.5 | 151.6 | -75 | -160.4 | 177.9 | -178.6 | 0 | 110.9 | G196 | G196-K198 PolarHBondContact O-N 3.48Š| ||
| 199 | L | 47.4 | Very low | 44.9 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -4.4 | 127.6 | 137.7 | -170.6 | 68.2 | 0 | 0 | 0 | 116.9 | ||||
| 200 | L | 53.6 | Low | 45.8 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 73% | 0.728 | 82% | 0.824 | S | S | * | * | trans | 60.1 | 96.9 | 153.8 | -61.8 | 160.6 | 0 | 0 | 0 | 118.2 | ||||
| 201 | E | 36.2 | Very low | 46.8 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -151.5 | 94.1 | 145.1 | -171.2 | 103.7 | 139.9 | 0 | 0 | 108.9 | Q203 | E201-Q203 PolarHBondContact O-N 3.46Š| ||
| 202 | H | 51.7 | Low | 48.7 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | trans | -72.7 | 105.2 | 157.6 | -86.5 | 83.1 | 0 | 0 | 0 | 107.5 | ||||
| 203 | Q | 51.6 | Low | 50.2 | Low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 143.2 | 97.7 | 147 | -80.1 | 161.1 | 94.7 | 0 | 0 | 110.1 | E201 | E201-Q203 PolarHBondContact O-N 3.46Š| ||
| 204 | R | 39.3 | Very low | 52.5 | Low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -159.3 | 125.9 | 141.3 | -109.5 | 160.7 | -172.7 | -92.2 | -0.4 | 109.3 | ||||
| 205 | G | 46.7 | Very low | 55.1 | Low | 82 Ų | 82 | 144.7 Ų | 144.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 157.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 206 | G | 49.2 | Very low | 57.7 | Low | 84 Ų | 84 | 144.6 Ų | 144.6 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 105.7 | 69.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 207 | A | 40.2 | Very low | 60.6 | Low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -147.2 | 123.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S209 | A207-S209 PolarHBondContact O-N 3.27Š| ||
| 208 | K | 51 | Low | 62.7 | Low | 221 Ų | 221 | 138 Ų | 138 | 96% | 0.961 | 72% | 0.723 | S | S | * | * | trans | -71.8 | 58.5 | -179.5 | -61.3 | 176.8 | -178.5 | 174.1 | 0 | 110.8 | K210 | K208-K210 PolarHBondContact O-N 3.43Š| ||
| 209 | S | 48.3 | Very low | 65 | Low | 79 Ų | 79 | 134 Ų | 134 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | trans | -71.4 | 119.2 | 152.6 | 49.5 | 0 | 0 | 0 | 0 | 105.7 | A207 K211 | A207-S209 PolarHBondContact O-N 3.27Å; S209-K211 PolarHBondContact O-N 3.42Å | ||
| 210 | K | 56.9 | Low | 67.3 | Low | 211 Ų | 211 | 130.2 Ų | 130.2 | 92% | 0.917 | 68% | 0.683 | S | S | * | * | trans | -56.5 | 84.9 | 170.7 | -166.3 | 174.7 | -172.8 | 175.4 | 0 | 106.9 | K208 H212 | K208-K210 PolarHBondContact O-N 3.43Å; K210-H212 PolarHBondContact O-N 2.96Å | ||
| 211 | K | 65.9 | Low | 69.4 | Low | 174 Ų | 174 | 130.9 Ų | 130.9 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | trans | -59.3 | 111.4 | 177.4 | -70.1 | -154.4 | 179.6 | -169.3 | 0 | 104.1 | S209 V213 | S209-K211 PolarHBondContact O-N 3.42Å; K211-V213 VanDerWaalsContact C-N 3.29Å; K211-V213 WeakPolarHBondContact O-CG2 3.32Å; K211-V213 PolarHBondContact O-N 3.03Å | ||
| 212 | H | 79.2 | Confident | 72.3 | Confident | 178 Ų | 178 | 126.2 Ų | 126.2 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -62 | 100.4 | 176.7 | 179.2 | -91.7 | 0 | 0 | 0 | 106.2 | K210 D214 | K210-H212 PolarHBondContact O-N 2.96Å; H212-D214 PolarHBondContact O-N 3.02Å | ||
| 213 | V | 82.4 | Confident | 74.5 | Confident | 84 Ų | 84 | 125.5 Ų | 125.5 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | trans | -77.2 | 117.7 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | K211 K215 Y220 | K211-V213 VanDerWaalsContact C-N 3.29Å; K211-V213 WeakPolarHBondContact O-CG2 3.32Å; K211-V213 PolarHBondContact O-N 3.03Å; V213-K215 PolarHBondContact O-N 3.25Å; V213-K215 VanDerWaalsContact O-N 3.12Å; V213-Y220 HydrophobicContact CG1-CD2 3.4Å; V213-Y220 VanDerWaalsContact CG1-CD2 3.4Å; V213-Y220 HydrophobicContact CG1-CE2 3.93Å; V213-Y220 HydrophobicContact CG1-CG 4.16Å | ||
| 214 | D | 90.2 | Very high | 76.7 | Confident | 81 Ų | 81 | 122.5 Ų | 122.5 | 43% | 0.433 | 63% | 0.628 | S | S | . | * | trans | -63.9 | 112.2 | 170.6 | 175 | 12.2 | 0 | 0 | 0 | 109.4 | H212 S216 S217 Y220 | H212-D214 PolarHBondContact O-N 3.02Å; D214-S216 PolarHBondContact O-N 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.37Å; D214-S216 PolarHBondContact OD1-N 3.42Å; D214-S216 PolarHBondContact OD1-OG 3.1Å; D214-S216 PolarHBondContact OD2-OG 3.43Å; D214-S217 WeakPolarHBondContact O-CB 3.4Å; D214-S217 PolarHBondContact O-N 3.46Å; D214-Y220 WeakPolarHBondContact O-CB 3.49Å | ||
| 215 | K | 93.3 | Very high | 79.5 | Confident | 161 Ų | 161 | 116.6 Ų | 116.6 | 70% | 0.7 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -18.6 | -177.9 | -61.9 | 178.4 | -177.9 | 178.1 | 0 | 112.8 | V213 Y220 | V213-K215 PolarHBondContact O-N 3.25Å; V213-K215 VanDerWaalsContact O-N 3.12Å; K215-Y220 HydrophobicContact CB-CD1 4.4Å; K215-Y220 HydrophobicContact CB-CE1 4.2Å; K215-Y220 HydrophobicContact CG-CE1 4.44Å; K215-Y220 VanDerWaalsContact O-CD1 3.24Å; K215-Y220 WeakPolarHBondContact O-CD1 3.45Å |
| 216 | S | 92.9 | Very high | 82 | Confident | 84 Ų | 84 | 120.3 Ų | 120.3 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -17.2 | -179.9 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | D214 | D214-S216 PolarHBondContact O-N 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.37Å; D214-S216 PolarHBondContact OD1-N 3.42Å; D214-S216 PolarHBondContact OD1-OG 3.1Å; D214-S216 PolarHBondContact OD2-OG 3.43Å |
| 217 | S | 96.6 | Very high | 84.4 | Confident | 30 Ų | 30 | 119.8 Ų | 119.8 | 21% | 0.21 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -54 | 135.3 | 179.5 | 172.2 | 0 | 0 | 0 | 0 | 112 | D214 E219 Y220 R221 | D214-S217 WeakPolarHBondContact O-CB 3.4Å; D214-S217 PolarHBondContact O-N 3.46Å; S217-E219 PolarHBondContact O-N 3.26Å; S217-E219 PolarHBondContact OG-N 2.87Å; S217-Y220 PolarHBondContact O-N 3.15Å; S217-Y220 VanDerWaalsContact O-N 3.15Å; S217-R221 PolarHBondContact O-N 2.86Å; S217-R221 VanDerWaalsContact O-N 3.16Å |
| 218 | P | 95.5 | Very high | 87.1 | Confident | 90 Ų | 90 | 118.8 Ų | 118.8 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.4 | -34.1 | 176.6 | 23.4 | -33.1 | 0 | 0 | 0 | 112.6 | R221 L222 | P218-R221 PolarHBondContact O-N 3Å; P218-L222 PolarHBondContact O-N 3.27Å; P218-L222 VanDerWaalsContact O-N 3.07Å |
| 219 | E | 96.1 | Very high | 89.4 | Confident | 118 Ų | 118 | 111.9 Ų | 111.9 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 177.5 | -167.5 | -143.6 | 155.6 | 0 | 0 | 111.6 | S217 L222 R223 | S217-E219 PolarHBondContact O-N 3.26Å; S217-E219 PolarHBondContact OG-N 2.87Å; E219-L222 PolarHBondContact O-N 2.98Å; E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.31Å; E219-R223 IonicContact OE1-CZ 3.98Å; E219-R223 IonicContact OE1-NE 3.73Å; E219-R223 IonicContact OE1-NH2 3.65Å; E219-R223 PolarHBondContact OE1-NH2 2.88Å |
| 220 | Y | 96.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 110.7 Ų | 110.7 | 29% | 0.286 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 177.7 | 177.2 | -98.5 | 0 | 0 | 0 | 111 | V213 D214 K215 S217 L222 R223 R224 | V213-Y220 HydrophobicContact CG1-CD2 3.4Å; V213-Y220 VanDerWaalsContact CG1-CD2 3.4Å; V213-Y220 HydrophobicContact CG1-CE2 3.93Å; V213-Y220 HydrophobicContact CG1-CG 4.16Å; D214-Y220 WeakPolarHBondContact O-CB 3.49Å; K215-Y220 HydrophobicContact CB-CD1 4.4Å; K215-Y220 HydrophobicContact CB-CE1 4.2Å; K215-Y220 HydrophobicContact CG-CE1 4.44Å; K215-Y220 VanDerWaalsContact O-CD1 3.24Å; K215-Y220 WeakPolarHBondContact O-CD1 3.45Å; S217-Y220 PolarHBondContact O-N 3.15Å; S217-Y220 VanDerWaalsContact O-N 3.15Å; Y220-L222 PolarHBondContact O-N 2.84Å; Y220-R223 PolarHBondContact O-N 2.92Å; Y220-R224 HydrophobicContact CD1-CG 4Å; Y220-R224 HydrophobicContact CD2-CG 4.35Å; Y220-R224 HydrophobicContact CE1-CG 3.55Å; Y220-R224 HydrophobicContact CE2-CG 3.95Å; Y220-R224 HydrophobicContact CG-CG 4.4Å; Y220-R224 WeakPolarHBondContact O-CG 3.35Å; Y220-R224 PolarHBondContact O-N 3.11Å |
| 221 | R | 97 | Very high | 93.8 | Very high | 153 Ų | 153 | 104.6 Ų | 104.6 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.6 | -48 | 178.8 | -69.9 | -172.6 | -70.9 | 135.9 | -2.6 | 111.7 | S217 P218 R223 R224 E225 | S217-R221 PolarHBondContact O-N 2.86Å; S217-R221 VanDerWaalsContact O-N 3.16Å; P218-R221 PolarHBondContact O-N 3Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 3.41Å; R221-R224 PolarHBondContact O-N 3.11Å; R221-E225 WeakPolarHBondContact O-CB 3.29Å; R221-E225 PolarHBondContact O-N 2.9Å |
| 222 | L | 97.6 | Very high | 95.4 | Very high | 74 Ų | 74 | 102.2 Ų | 102.2 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 178.5 | -174.7 | 62.9 | 0 | 0 | 0 | 112.2 | P218 E219 Y220 E225 R226 | P218-L222 PolarHBondContact O-N 3.27Å; P218-L222 VanDerWaalsContact O-N 3.07Å; E219-L222 PolarHBondContact O-N 2.98Å; Y220-L222 PolarHBondContact O-N 2.84Å; L222-E225 PolarHBondContact O-N 3.47Å; L222-R226 VanDerWaalsContact CD2-NH2 3.33Å; L222-R226 WeakPolarHBondContact O-CG 3.33Å; L222-R226 PolarHBondContact O-N 3.01Å |
| 223 | R | 97.8 | Very high | 96.3 | Very high | 158 Ų | 158 | 101.2 Ų | 101.2 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 175.7 | -167.5 | -177.6 | -62.7 | -156.4 | 0.4 | 111.8 | E219 Y220 R221 N227 | E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.31Å; E219-R223 IonicContact OE1-CZ 3.98Å; E219-R223 IonicContact OE1-NE 3.73Å; E219-R223 IonicContact OE1-NH2 3.65Å; E219-R223 PolarHBondContact OE1-NH2 2.88Å; Y220-R223 PolarHBondContact O-N 2.92Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 3.41Å; R223-N227 WeakPolarHBondContact O-CB 3.39Å; R223-N227 PolarHBondContact O-N 3.34Å |
| 224 | R | 98.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 101 Ų | 101 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.2 | -68.8 | -59.1 | -63.8 | 158.5 | 0.6 | 111.8 | Y220 R221 N227 N228 | Y220-R224 HydrophobicContact CD1-CG 4Å; Y220-R224 HydrophobicContact CD2-CG 4.35Å; Y220-R224 HydrophobicContact CE1-CG 3.55Å; Y220-R224 HydrophobicContact CE2-CG 3.95Å; Y220-R224 HydrophobicContact CG-CG 4.4Å; Y220-R224 WeakPolarHBondContact O-CG 3.35Å; Y220-R224 PolarHBondContact O-N 3.11Å; R221-R224 PolarHBondContact O-N 3.11Å; R224-N227 PolarHBondContact NH1-OD1 3.37Å; R224-N227 PolarHBondContact O-N 3.18Å; R224-N228 WeakPolarHBondContact O-CB 3.34Å; R224-N228 PolarHBondContact O-N 3.14Å; R224-N228 PolarHBondContact O-ND2 3.47Å |
| 225 | E | 98.2 | Very high | 97.5 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -49.9 | 175.8 | -173.4 | -178.7 | 176.7 | 0 | 0 | 111.5 | R221 L222 N227 N228 V229 | R221-E225 WeakPolarHBondContact O-CB 3.29Å; R221-E225 PolarHBondContact O-N 2.9Å; L222-E225 PolarHBondContact O-N 3.47Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact O-N 3.25Å; E225-N228 WeakPolarHBondContact O-CB 3.4Å; E225-N228 PolarHBondContact O-N 3.37Å; E225-V229 WeakPolarHBondContact O-CG2 3.5Å; E225-V229 PolarHBondContact O-N 2.91Å |
| 226 | R | 98.8 | Very high | 97.8 | Very high | 160 Ų | 160 | 100.3 Ų | 100.3 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | 174.7 | -72 | -179.5 | -174.9 | 128.1 | -3.3 | 112.2 | L222 V229 A230 | L222-R226 VanDerWaalsContact CD2-NH2 3.33Å; L222-R226 WeakPolarHBondContact O-CG 3.33Å; L222-R226 PolarHBondContact O-N 3.01Å; R226-V229 PolarHBondContact O-N 2.92Å; R226-A230 WeakPolarHBondContact O-CB 3.41Å; R226-A230 PolarHBondContact O-N 3.43Å |
| 227 | N | 98.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 103 Ų | 103 | 39% | 0.39 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.8 | -179.1 | -113.8 | 0 | 0 | 0 | 111.7 | R223 R224 E225 V229 A230 V231 | R223-N227 WeakPolarHBondContact O-CB 3.39Å; R223-N227 PolarHBondContact O-N 3.34Å; R224-N227 PolarHBondContact NH1-OD1 3.37Å; R224-N227 PolarHBondContact O-N 3.18Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact O-N 3.25Å; N227-V229 VanDerWaalsContact C-N 3.3Å; N227-V229 PolarHBondContact O-N 2.95Å; N227-A230 PolarHBondContact O-N 3.27Å; N227-A230 VanDerWaalsContact O-N 3.14Å; N227-V231 VanDerWaalsContact O-CG2 3.29Å; N227-V231 WeakPolarHBondContact O-CG2 3.49Å; N227-V231 PolarHBondContact O-N 3.01Å |
| 228 | N | 98.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 103.9 Ų | 103.9 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.2 | -70.2 | -19.7 | 0 | 0 | 0 | 111.6 | R224 E225 R232 | R224-N228 WeakPolarHBondContact O-CB 3.34Å; R224-N228 PolarHBondContact O-N 3.14Å; R224-N228 PolarHBondContact O-ND2 3.47Å; E225-N228 WeakPolarHBondContact O-CB 3.4Å; E225-N228 PolarHBondContact O-N 3.37Å; N228-R232 WeakPolarHBondContact O-CG 3.49Å; N228-R232 PolarHBondContact O-N 3.24Å |
| 229 | V | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 105.5 Ų | 105.5 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | E225 R226 N227 V231 R232 K233 | E225-V229 WeakPolarHBondContact O-CG2 3.5Å; E225-V229 PolarHBondContact O-N 2.91Å; R226-V229 PolarHBondContact O-N 2.92Å; N227-V229 VanDerWaalsContact C-N 3.3Å; N227-V229 PolarHBondContact O-N 2.95Å; V229-V231 VanDerWaalsContact C-N 3.32Å; V229-V231 PolarHBondContact O-N 3.42Å; V229-R232 PolarHBondContact O-N 2.91Å; V229-K233 WeakPolarHBondContact O-CB 3.5Å; V229-K233 PolarHBondContact O-N 3.18Å |
| 230 | A | 98.7 | Very high | 98.4 | Very high | 53 Ų | 53 | 104.6 Ų | 104.6 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | R226 N227 K233 S234 | R226-A230 WeakPolarHBondContact O-CB 3.41Å; R226-A230 PolarHBondContact O-N 3.43Å; N227-A230 PolarHBondContact O-N 3.27Å; N227-A230 VanDerWaalsContact O-N 3.14Å; A230-K233 PolarHBondContact O-N 2.98Å; A230-S234 VanDerWaalsContact O-CB 3.31Å; A230-S234 WeakPolarHBondContact O-CB 3.43Å; A230-S234 PolarHBondContact O-N 2.97Å |
| 231 | V | 98.9 | Very high | 98.5 | Very high | 83 Ų | 83 | 108.4 Ų | 108.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 176.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | N227 V229 K233 S234 R235 | N227-V231 VanDerWaalsContact O-CG2 3.29Å; N227-V231 WeakPolarHBondContact O-CG2 3.49Å; N227-V231 PolarHBondContact O-N 3.01Å; V229-V231 VanDerWaalsContact C-N 3.32Å; V229-V231 PolarHBondContact O-N 3.42Å; V231-K233 PolarHBondContact O-N 3.18Å; V231-S234 PolarHBondContact O-N 3.5Å; V231-R235 WeakPolarHBondContact O-CB 3.24Å; V231-R235 PolarHBondContact O-N 2.86Å |
| 232 | R | 98.8 | Very high | 98.6 | Very high | 125 Ų | 125 | 105.9 Ų | 105.9 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.5 | -50.8 | 175.2 | -75.4 | -172.8 | -69.4 | -96.7 | 5.4 | 111 | N228 V229 S234 R235 D236 | N228-R232 WeakPolarHBondContact O-CG 3.49Å; N228-R232 PolarHBondContact O-N 3.24Å; V229-R232 PolarHBondContact O-N 2.91Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 3.45Å; R232-R235 PolarHBondContact O-N 3.46Å; R232-R235 VanDerWaalsContact O-N 3.16Å; R232-D236 VanDerWaalsContact O-CG 3.28Å; R232-D236 PolarHBondContact O-N 3.3Å |
| 233 | K | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 107 Ų | 107 | 68% | 0.683 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.7 | -41.9 | 177.8 | -173.9 | 175.3 | -177.2 | 176.3 | 0 | 112.6 | V229 A230 V231 K237 | V229-K233 WeakPolarHBondContact O-CB 3.5Å; V229-K233 PolarHBondContact O-N 3.18Å; A230-K233 PolarHBondContact O-N 2.98Å; V231-K233 PolarHBondContact O-N 3.18Å; K233-K237 WeakPolarHBondContact O-CB 3.29Å; K233-K237 PolarHBondContact O-N 3.41Å |
| 234 | S | 98.9 | Very high | 98.7 | Very high | 80 Ų | 80 | 104.7 Ų | 104.7 | 56% | 0.559 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 177.3 | 177 | 0 | 0 | 0 | 0 | 111.5 | A230 V231 R232 K237 A238 | A230-S234 VanDerWaalsContact O-CB 3.31Å; A230-S234 WeakPolarHBondContact O-CB 3.43Å; A230-S234 PolarHBondContact O-N 2.97Å; V231-S234 PolarHBondContact O-N 3.5Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 3.45Å; S234-K237 PolarHBondContact O-N 3.47Å; S234-A238 PolarHBondContact O-N 2.82Å |
| 235 | R | 98.9 | Very high | 98.7 | Very high | 147 Ų | 147 | 103.3 Ų | 103.3 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | 177.3 | -171.5 | 174.5 | 68.2 | 172 | 1.2 | 111.8 | V231 R232 K237 A238 K239 | V231-R235 WeakPolarHBondContact O-CB 3.24Å; V231-R235 PolarHBondContact O-N 2.86Å; R232-R235 PolarHBondContact O-N 3.46Å; R232-R235 VanDerWaalsContact O-N 3.16Å; R235-K237 VanDerWaalsContact C-N 3.33Å; R235-K237 PolarHBondContact O-N 3.34Å; R235-A238 WeakPolarHBondContact O-CB 3.37Å; R235-A238 PolarHBondContact O-N 2.88Å; R235-K239 WeakPolarHBondContact O-CG 3.48Å; R235-K239 PolarHBondContact O-N 3.09Å |
| 236 | D | 98.8 | Very high | 98.8 | Very high | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 179.6 | -62.9 | -20.4 | 0 | 0 | 0 | 111 | R232 A238 K239 M240 | R232-D236 VanDerWaalsContact O-CG 3.28Å; R232-D236 PolarHBondContact O-N 3.3Å; D236-A238 VanDerWaalsContact C-N 3.34Å; D236-A238 PolarHBondContact O-N 2.86Å; D236-K239 PolarHBondContact O-N 2.85Å; D236-M240 WeakPolarHBondContact O-CG 3.33Å; D236-M240 PolarHBondContact O-N 3.2Å |
| 237 | K | 98.8 | Very high | 98.8 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 172 | -173.5 | 175 | -176.5 | 177.6 | 0 | 112.4 | K233 S234 R235 R241 | K233-K237 WeakPolarHBondContact O-CB 3.29Å; K233-K237 PolarHBondContact O-N 3.41Å; S234-K237 PolarHBondContact O-N 3.47Å; R235-K237 VanDerWaalsContact C-N 3.33Å; R235-K237 PolarHBondContact O-N 3.34Å; K237-R241 WeakPolarHBondContact O-CB 3.42Å; K237-R241 PolarHBondContact O-N 2.95Å |
| 238 | A | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 102.7 Ų | 102.7 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S234 R235 D236 R241 N242 | S234-A238 PolarHBondContact O-N 2.82Å; R235-A238 WeakPolarHBondContact O-CB 3.37Å; R235-A238 PolarHBondContact O-N 2.88Å; D236-A238 VanDerWaalsContact C-N 3.34Å; D236-A238 PolarHBondContact O-N 2.86Å; A238-R241 PolarHBondContact O-N 3.27Å; A238-N242 PolarHBondContact O-N 3.34Å |
| 239 | K | 98.8 | Very high | 98.8 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.8 | -72.1 | 179 | 177.4 | -174.3 | 0 | 112 | R235 D236 R241 N242 L243 | R235-K239 WeakPolarHBondContact O-CG 3.48Å; R235-K239 PolarHBondContact O-N 3.09Å; D236-K239 PolarHBondContact O-N 2.85Å; K239-R241 PolarHBondContact O-N 2.74Å; K239-N242 PolarHBondContact O-N 3Å; K239-L243 PolarHBondContact O-N 2.95Å |
| 240 | M | 98.7 | Very high | 98.8 | Very high | 100 Ų | 100 | 105 Ų | 105 | 49% | 0.493 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 176.4 | -75.2 | -59.2 | -58.7 | 0 | 0 | 111.7 | D236 N242 L243 E244 | D236-M240 WeakPolarHBondContact O-CG 3.33Å; D236-M240 PolarHBondContact O-N 3.2Å; M240-N242 VanDerWaalsContact C-N 3.3Å; M240-N242 PolarHBondContact O-N 2.74Å; M240-L243 PolarHBondContact O-N 3.39Å; M240-E244 WeakPolarHBondContact O-CB 3.47Å; M240-E244 VanDerWaalsContact O-CG 3.31Å; M240-E244 WeakPolarHBondContact O-CG 3.4Å; M240-E244 PolarHBondContact O-N 3.49Å |
| 241 | R | 98.8 | Very high | 98.8 | Very high | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -41.4 | 176.4 | -172.5 | -166.7 | -63.2 | -127.6 | 3.2 | 112.2 | K237 A238 K239 E244 T245 | K237-R241 WeakPolarHBondContact O-CB 3.42Å; K237-R241 PolarHBondContact O-N 2.95Å; A238-R241 PolarHBondContact O-N 3.27Å; K239-R241 PolarHBondContact O-N 2.74Å; R241-E244 PolarHBondContact O-N 3.04Å; R241-T245 WeakPolarHBondContact O-CB 3.35Å; R241-T245 PolarHBondContact O-N 3.32Å; R241-T245 PolarHBondContact O-OG1 3.42Å |
| 242 | N | 98.8 | Very high | 98.8 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 177.8 | -71.8 | -11.6 | 0 | 0 | 0 | 111.2 | A238 K239 M240 T245 Q246 | A238-N242 PolarHBondContact O-N 3.34Å; K239-N242 PolarHBondContact O-N 3Å; M240-N242 VanDerWaalsContact C-N 3.3Å; M240-N242 PolarHBondContact O-N 2.74Å; N242-T245 WeakPolarHBondContact O-CB 3.45Å; N242-T245 PolarHBondContact O-N 3.34Å; N242-Q246 WeakPolarHBondContact O-CG 3.43Å; N242-Q246 PolarHBondContact O-N 3.29Å |
| 243 | L | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.9 | -179.6 | 62.7 | 0 | 0 | 0 | 111.9 | K239 M240 T245 Q246 Q247 | K239-L243 PolarHBondContact O-N 2.95Å; M240-L243 PolarHBondContact O-N 3.39Å; L243-T245 PolarHBondContact O-N 3.34Å; L243-Q246 WeakPolarHBondContact O-CB 3.48Å; L243-Q246 PolarHBondContact O-N 2.92Å; L243-Q247 PolarHBondContact O-N 3.29Å |
| 244 | E | 98.8 | Very high | 98.8 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 174.9 | -73 | 168.3 | 179.1 | 0 | 0 | 111.4 | M240 R241 Q247 K248 | M240-E244 WeakPolarHBondContact O-CB 3.47Å; M240-E244 VanDerWaalsContact O-CG 3.31Å; M240-E244 WeakPolarHBondContact O-CG 3.4Å; M240-E244 PolarHBondContact O-N 3.49Å; R241-E244 PolarHBondContact O-N 3.04Å; E244-Q247 PolarHBondContact O-N 2.89Å; E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.48Å |
| 245 | T | 98.8 | Very high | 98.8 | Very high | 79 Ų | 79 | 97.3 Ų | 97.3 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 111 | R241 N242 L243 Q247 K248 V249 | R241-T245 WeakPolarHBondContact O-CB 3.35Å; R241-T245 PolarHBondContact O-N 3.32Å; R241-T245 PolarHBondContact O-OG1 3.42Å; N242-T245 WeakPolarHBondContact O-CB 3.45Å; N242-T245 PolarHBondContact O-N 3.34Å; L243-T245 PolarHBondContact O-N 3.34Å; T245-Q247 VanDerWaalsContact C-N 3.34Å; T245-Q247 PolarHBondContact O-N 2.91Å; T245-K248 PolarHBondContact O-N 3.17Å; T245-V249 WeakPolarHBondContact O-CG2 3.49Å; T245-V249 PolarHBondContact O-N 3.35Å |
| 246 | Q | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 94 Ų | 94 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60 | -45 | 175.6 | -72 | 174.8 | -4.8 | 0 | 0 | 111.4 | N242 L243 K248 V249 V250 | N242-Q246 WeakPolarHBondContact O-CG 3.43Å; N242-Q246 PolarHBondContact O-N 3.29Å; L243-Q246 WeakPolarHBondContact O-CB 3.48Å; L243-Q246 PolarHBondContact O-N 2.92Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.45Å; Q246-V249 PolarHBondContact O-N 3.49Å; Q246-V250 PolarHBondContact O-N 3.35Å |
| 247 | Q | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 175.3 | -177.4 | 179.9 | -14.6 | 0 | 0 | 111.4 | L243 E244 T245 V249 V250 E251 | L243-Q247 PolarHBondContact O-N 3.29Å; E244-Q247 PolarHBondContact O-N 2.89Å; T245-Q247 VanDerWaalsContact C-N 3.34Å; T245-Q247 PolarHBondContact O-N 2.91Å; Q247-V249 VanDerWaalsContact C-N 3.3Å; Q247-V249 PolarHBondContact O-N 3.23Å; Q247-V250 WeakPolarHBondContact O-CB 3.48Å; Q247-V250 PolarHBondContact O-N 2.99Å; Q247-V250 VanDerWaalsContact O-N 3.14Å; Q247-E251 PolarHBondContact NE2-OE1 3.36Å; Q247-E251 VanDerWaalsContact NE2-OE1 3.09Å; Q247-E251 WeakPolarHBondContact O-CG 3.39Å; Q247-E251 PolarHBondContact O-N 3.2Å |
| 248 | K | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 178.5 | -166.1 | 72.6 | -149 | 155.3 | 0 | 112.3 | E244 T245 Q246 V250 E251 L252 | E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.48Å; T245-K248 PolarHBondContact O-N 3.17Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.45Å; K248-V250 VanDerWaalsContact C-N 3.34Å; K248-E251 IonicContact NZ-OE2 3.1Å; K248-E251 PolarHBondContact NZ-OE2 3.07Å; K248-E251 PolarHBondContact O-N 3.36Å; K248-L252 HydrophobicContact CG-CD1 3.99Å; K248-L252 HydrophobicContact CG-CG 4.31Å; K248-L252 WeakPolarHBondContact O-CB 3.5Å; K248-L252 VanDerWaalsContact O-CG 3.24Å; K248-L252 WeakPolarHBondContact O-CG 3.31Å; K248-L252 PolarHBondContact O-N 2.87Å |
| 249 | V | 98.9 | Very high | 98.8 | Very high | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | T245 Q246 Q247 L252 T253 | T245-V249 WeakPolarHBondContact O-CG2 3.49Å; T245-V249 PolarHBondContact O-N 3.35Å; Q246-V249 PolarHBondContact O-N 3.49Å; Q247-V249 VanDerWaalsContact C-N 3.3Å; Q247-V249 PolarHBondContact O-N 3.23Å; V249-L252 PolarHBondContact O-N 2.92Å; V249-T253 WeakPolarHBondContact O-CB 3.48Å; V249-T253 PolarHBondContact O-N 2.99Å; V249-T253 PolarHBondContact O-OG1 3.35Å |
| 250 | V | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -48.2 | 177 | 175.6 | 0 | 0 | 0 | 0 | 111 | Q246 Q247 K248 L252 T253 A254 | Q246-V250 PolarHBondContact O-N 3.35Å; Q247-V250 WeakPolarHBondContact O-CB 3.48Å; Q247-V250 PolarHBondContact O-N 2.99Å; Q247-V250 VanDerWaalsContact O-N 3.14Å; K248-V250 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 3.24Å; V250-T253 PolarHBondContact O-N 3.04Å; V250-A254 PolarHBondContact O-N 3.16Å |
| 251 | E | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.9 | -50.5 | 177 | -72.1 | 174 | -170.4 | 0 | 0 | 111.9 | Q247 K248 T253 A254 D255 | Q247-E251 PolarHBondContact NE2-OE1 3.36Å; Q247-E251 VanDerWaalsContact NE2-OE1 3.09Å; Q247-E251 WeakPolarHBondContact O-CG 3.39Å; Q247-E251 PolarHBondContact O-N 3.2Å; K248-E251 IonicContact NZ-OE2 3.1Å; K248-E251 PolarHBondContact NZ-OE2 3.07Å; K248-E251 PolarHBondContact O-N 3.36Å; E251-T253 VanDerWaalsContact C-N 3.28Å; E251-T253 PolarHBondContact O-N 2.93Å; E251-A254 PolarHBondContact O-N 3.3Å; E251-D255 WeakPolarHBondContact O-CB 3.21Å; E251-D255 PolarHBondContact O-N 3Å |
| 252 | L | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 100.5 Ų | 100.5 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -31.8 | -179.6 | -70.3 | 174.5 | 0 | 0 | 0 | 112.3 | K248 V249 V250 N256 | K248-L252 HydrophobicContact CG-CD1 3.99Å; K248-L252 HydrophobicContact CG-CG 4.31Å; K248-L252 WeakPolarHBondContact O-CB 3.5Å; K248-L252 VanDerWaalsContact O-CG 3.24Å; K248-L252 WeakPolarHBondContact O-CG 3.31Å; K248-L252 PolarHBondContact O-N 2.87Å; V249-L252 PolarHBondContact O-N 2.92Å; V250-L252 PolarHBondContact O-N 3.24Å; L252-N256 VanDerWaalsContact O-CB 3.29Å; L252-N256 WeakPolarHBondContact O-CB 3.43Å; L252-N256 PolarHBondContact O-N 2.93Å; L252-N256 PolarHBondContact O-ND2 2.83Å |
| 253 | T | 98.7 | Very high | 98.8 | Very high | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -48 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | V249 V250 E251 D255 N256 E257 | V249-T253 WeakPolarHBondContact O-CB 3.48Å; V249-T253 PolarHBondContact O-N 2.99Å; V249-T253 PolarHBondContact O-OG1 3.35Å; V250-T253 PolarHBondContact O-N 3.04Å; E251-T253 VanDerWaalsContact C-N 3.28Å; E251-T253 PolarHBondContact O-N 2.93Å; T253-D255 PolarHBondContact O-N 3.46Å; T253-N256 PolarHBondContact O-N 3.43Å; T253-E257 PolarHBondContact O-N 3.25Å |
| 254 | A | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 100.1 Ų | 100.1 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V250 E251 E257 R258 | V250-A254 PolarHBondContact O-N 3.16Å; E251-A254 PolarHBondContact O-N 3.3Å; A254-E257 PolarHBondContact O-N 2.83Å; A254-R258 PolarHBondContact O-N 3.41Å |
| 255 | D | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 98.3 Ų | 98.3 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.9 | -82 | -19.4 | 0 | 0 | 0 | 111.9 | E251 T253 E257 R258 L259 | E251-D255 WeakPolarHBondContact O-CB 3.21Å; E251-D255 PolarHBondContact O-N 3Å; T253-D255 PolarHBondContact O-N 3.46Å; D255-E257 PolarHBondContact O-N 2.9Å; D255-R258 WeakPolarHBondContact O-CB 3.29Å; D255-R258 PolarHBondContact O-N 3.5Å; D255-R258 IonicContact OD1-CZ 2.85Å; D255-R258 IonicContact OD1-NH1 2.66Å; D255-R258 PolarHBondContact OD1-NH1 2.97Å; D255-R258 IonicContact OD1-NH2 2.74Å; D255-R258 PolarHBondContact OD1-NH2 3.44Å; D255-L259 WeakPolarHBondContact O-CG 3.48Å; D255-L259 PolarHBondContact O-N 2.86Å |
| 256 | N | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 97.7 Ų | 97.7 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.6 | -92.2 | -66.2 | 0 | 0 | 0 | 112 | L252 T253 L259 R260 | L252-N256 VanDerWaalsContact O-CB 3.29Å; L252-N256 WeakPolarHBondContact O-CB 3.43Å; L252-N256 PolarHBondContact O-N 2.93Å; L252-N256 PolarHBondContact O-ND2 2.83Å; T253-N256 PolarHBondContact O-N 3.43Å; N256-L259 PolarHBondContact O-N 3.37Å; N256-R260 WeakPolarHBondContact O-CB 3.35Å; N256-R260 VanDerWaalsContact O-CG 3.32Å; N256-R260 WeakPolarHBondContact O-CG 3.47Å; N256-R260 PolarHBondContact O-N 3.14Å |
| 257 | E | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.2 | -71.4 | -174.4 | -178.2 | 0 | 0 | 112.3 | T253 A254 D255 L259 R260 R261 | T253-E257 PolarHBondContact O-N 3.25Å; A254-E257 PolarHBondContact O-N 2.83Å; D255-E257 PolarHBondContact O-N 2.9Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 3.43Å; E257-R260 PolarHBondContact O-N 2.8Å; E257-R261 WeakPolarHBondContact O-CG 3.47Å; E257-R261 PolarHBondContact O-N 2.98Å; E257-R261 IonicContact OE2-NH2 2.82Å; E257-R261 PolarHBondContact OE2-NH2 3.45Å; E257-R261 VanDerWaalsContact OE2-NH2 3.08Å |
| 258 | R | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 53% | 0.525 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.6 | -175.8 | -178.9 | 70.4 | -131.6 | -7.5 | 110.9 | A254 D255 R261 R262 | A254-R258 PolarHBondContact O-N 3.41Å; D255-R258 WeakPolarHBondContact O-CB 3.29Å; D255-R258 PolarHBondContact O-N 3.5Å; D255-R258 IonicContact OD1-CZ 2.85Å; D255-R258 IonicContact OD1-NH1 2.66Å; D255-R258 PolarHBondContact OD1-NH1 2.97Å; D255-R258 IonicContact OD1-NH2 2.74Å; D255-R258 PolarHBondContact OD1-NH2 3.44Å; R258-R261 PolarHBondContact O-N 3.31Å; R258-R262 PolarHBondContact O-N 2.74Å |
| 259 | L | 98.9 | Very high | 98.7 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.9 | -71.1 | 172.4 | 0 | 0 | 0 | 111.8 | D255 N256 E257 R261 R262 V263 | D255-L259 WeakPolarHBondContact O-CG 3.48Å; D255-L259 PolarHBondContact O-N 2.86Å; N256-L259 PolarHBondContact O-N 3.37Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 3.43Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.38Å; L259-R262 PolarHBondContact O-N 3.2Å; L259-R262 VanDerWaalsContact O-N 3.1Å; L259-V263 WeakPolarHBondContact O-CG2 3.31Å; L259-V263 PolarHBondContact O-N 3.23Å |
| 260 | R | 98.7 | Very high | 98.7 | Very high | 177 Ų | 177 | 95.7 Ų | 95.7 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.4 | -45.5 | 175.1 | -75 | 174 | 179.8 | 163 | -0 | 111.8 | N256 E257 R262 V263 E264 | N256-R260 WeakPolarHBondContact O-CB 3.35Å; N256-R260 VanDerWaalsContact O-CG 3.32Å; N256-R260 WeakPolarHBondContact O-CG 3.47Å; N256-R260 PolarHBondContact O-N 3.14Å; E257-R260 PolarHBondContact O-N 2.8Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R260-R262 PolarHBondContact O-N 3.39Å; R260-V263 PolarHBondContact O-N 3.37Å; R260-E264 WeakPolarHBondContact O-CB 3.41Å; R260-E264 PolarHBondContact O-N 3.34Å |
| 261 | R | 98.8 | Very high | 98.6 | Very high | 140 Ų | 140 | 94.8 Ų | 94.8 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175 | -70 | -179.3 | -125.3 | 132.9 | -0.7 | 112.2 | E257 R258 L259 H265 | E257-R261 WeakPolarHBondContact O-CG 3.47Å; E257-R261 PolarHBondContact O-N 2.98Å; E257-R261 IonicContact OE2-NH2 2.82Å; E257-R261 PolarHBondContact OE2-NH2 3.45Å; E257-R261 VanDerWaalsContact OE2-NH2 3.08Å; R258-R261 PolarHBondContact O-N 3.31Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.38Å; R261-H265 WeakPolarHBondContact O-CB 3.39Å; R261-H265 PolarHBondContact O-N 3.12Å |
| 262 | R | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 95.6 Ų | 95.6 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 177.5 | -174.9 | 58.7 | 177.6 | 161.6 | 5.2 | 111.8 | R258 L259 R260 H265 L266 | R258-R262 PolarHBondContact O-N 2.74Å; L259-R262 PolarHBondContact O-N 3.2Å; L259-R262 VanDerWaalsContact O-N 3.1Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R260-R262 PolarHBondContact O-N 3.39Å; R262-H265 PolarHBondContact NH1-CD2 3.29Å; R262-H265 PolarHBondContact NH1-NE2 3.22Å; R262-H265 PolarHBondContact O-N 3.42Å; R262-L266 HydrophobicContact CG-CD1 4.16Å; R262-L266 WeakPolarHBondContact O-CG 3.41Å; R262-L266 PolarHBondContact O-N 3.42Å |
| 263 | V | 98.8 | Very high | 98.5 | Very high | 91 Ų | 91 | 96 Ų | 96 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.4 | -52.3 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | L259 R260 H265 L266 T267 | L259-V263 WeakPolarHBondContact O-CG2 3.31Å; L259-V263 PolarHBondContact O-N 3.23Å; R260-V263 PolarHBondContact O-N 3.37Å; V263-H265 VanDerWaalsContact C-N 3.29Å; V263-H265 PolarHBondContact O-N 2.85Å; V263-L266 PolarHBondContact O-N 3.37Å; V263-T267 WeakPolarHBondContact O-CB 3.5Å; V263-T267 PolarHBondContact O-N 2.89Å; V263-T267 PolarHBondContact O-OG1 2.74Å |
| 264 | E | 98.8 | Very high | 98.3 | Very high | 97 Ų | 97 | 99.8 Ų | 99.8 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 179.2 | -171.8 | -162.4 | 150.6 | 0 | 0 | 112.2 | R260 T267 R268 | R260-E264 WeakPolarHBondContact O-CB 3.41Å; R260-E264 PolarHBondContact O-N 3.34Å; E264-T267 PolarHBondContact O-N 3Å; E264-R268 WeakPolarHBondContact O-CG 3.36Å; E264-R268 PolarHBondContact O-N 3.18Å; E264-R268 IonicContact OE1-CZ 3.59Å; E264-R268 IonicContact OE1-NH1 3.66Å; E264-R268 PolarHBondContact OE1-NH1 3.49Å; E264-R268 IonicContact OE1-NH2 3.42Å; E264-R268 PolarHBondContact OE1-NH2 3.29Å; E264-R268 IonicContact OE2-NH2 3.7Å |
| 265 | H | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 98.7 Ų | 98.7 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 176.2 | 174 | 80.3 | 0 | 0 | 0 | 112.3 | R261 R262 V263 T267 R268 E269 | R261-H265 WeakPolarHBondContact O-CB 3.39Å; R261-H265 PolarHBondContact O-N 3.12Å; R262-H265 PolarHBondContact NH1-CD2 3.29Å; R262-H265 PolarHBondContact NH1-NE2 3.22Å; R262-H265 PolarHBondContact O-N 3.42Å; V263-H265 VanDerWaalsContact C-N 3.29Å; V263-H265 PolarHBondContact O-N 2.85Å; H265-T267 VanDerWaalsContact C-N 3.3Å; H265-T267 PolarHBondContact O-N 3.38Å; H265-R268 WeakPolarHBondContact O-CB 3.24Å; H265-R268 PolarHBondContact O-N 2.85Å; H265-E269 IonicContact CE1-OE1 3.04Å; H265-E269 IonicContact NE2-OE1 3.98Å; H265-E269 PolarHBondContact NE2-OE1 2.92Å; H265-E269 IonicContact NE2-OE2 3.39Å; H265-E269 PolarHBondContact O-N 2.83Å |
| 266 | L | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 100.2 Ų | 100.2 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 178.2 | -70.8 | 172.9 | 0 | 0 | 0 | 112.1 | R262 V263 E269 L270 | R262-L266 HydrophobicContact CG-CD1 4.16Å; R262-L266 WeakPolarHBondContact O-CG 3.41Å; R262-L266 PolarHBondContact O-N 3.42Å; V263-L266 PolarHBondContact O-N 3.37Å; L266-E269 PolarHBondContact O-N 3Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 2.92Å |
| 267 | T | 98.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 102.1 Ų | 102.1 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | V263 E264 H265 E269 L270 D271 | V263-T267 WeakPolarHBondContact O-CB 3.5Å; V263-T267 PolarHBondContact O-N 2.89Å; V263-T267 PolarHBondContact O-OG1 2.74Å; E264-T267 PolarHBondContact O-N 3Å; H265-T267 VanDerWaalsContact C-N 3.3Å; H265-T267 PolarHBondContact O-N 3.38Å; T267-E269 PolarHBondContact O-N 2.84Å; T267-L270 PolarHBondContact O-N 2.66Å; T267-D271 PolarHBondContact O-N 3.33Å |
| 268 | R | 98.6 | Very high | 97.1 | Very high | 130 Ų | 130 | 108.4 Ų | 108.4 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.3 | -75 | -175.8 | -72.4 | -138.9 | -9.7 | 112.9 | E264 H265 D271 T272 | E264-R268 WeakPolarHBondContact O-CG 3.36Å; E264-R268 PolarHBondContact O-N 3.18Å; E264-R268 IonicContact OE1-CZ 3.59Å; E264-R268 IonicContact OE1-NH1 3.66Å; E264-R268 PolarHBondContact OE1-NH1 3.49Å; E264-R268 IonicContact OE1-NH2 3.42Å; E264-R268 PolarHBondContact OE1-NH2 3.29Å; E264-R268 IonicContact OE2-NH2 3.7Å; H265-R268 WeakPolarHBondContact O-CB 3.24Å; H265-R268 PolarHBondContact O-N 2.85Å; R268-D271 PolarHBondContact O-N 3.38Å; R268-T272 WeakPolarHBondContact O-CB 3.5Å; R268-T272 PolarHBondContact O-N 3.15Å; R268-T272 PolarHBondContact O-OG1 3.45Å |
| 269 | E | 98.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 109.7 Ų | 109.7 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.9 | -69.8 | -170.5 | 146.7 | 0 | 0 | 111.4 | H265 L266 T267 T272 L273 | H265-E269 IonicContact CE1-OE1 3.04Å; H265-E269 IonicContact NE2-OE1 3.98Å; H265-E269 PolarHBondContact NE2-OE1 2.92Å; H265-E269 IonicContact NE2-OE2 3.39Å; H265-E269 PolarHBondContact O-N 2.83Å; L266-E269 PolarHBondContact O-N 3Å; T267-E269 PolarHBondContact O-N 2.84Å; E269-T272 PolarHBondContact O-N 3.4Å; E269-L273 WeakPolarHBondContact O-CG 3.41Å; E269-L273 PolarHBondContact O-N 2.7Å |
| 270 | L | 98.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 108.2 Ų | 108.2 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.6 | -71.9 | 176.3 | 0 | 0 | 0 | 112.6 | L266 T267 T272 L273 R274 | L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 2.92Å; T267-L270 PolarHBondContact O-N 2.66Å; L270-T272 VanDerWaalsContact C-N 3.33Å; L270-L273 PolarHBondContact O-N 3.07Å; L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.25Å; L270-R274 WeakPolarHBondContact O-CG 3.48Å; L270-R274 PolarHBondContact O-N 3.22Å |
| 271 | D | 97.7 | Very high | 94.7 | Very high | 85 Ų | 85 | 104.4 Ų | 104.4 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 178.2 | -71.3 | -23.7 | 0 | 0 | 0 | 111.6 | T267 R268 R274 G275 | T267-D271 PolarHBondContact O-N 3.33Å; R268-D271 PolarHBondContact O-N 3.38Å; D271-R274 PolarHBondContact O-N 3.25Å; D271-R274 IonicContact OD1-NH1 2.81Å; D271-G275 PolarHBondContact O-N 3.16Å |
| 272 | T | 97.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 106.1 Ų | 106.1 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -49.8 | 172 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | R268 E269 L270 R274 G275 I276 | R268-T272 WeakPolarHBondContact O-CB 3.5Å; R268-T272 PolarHBondContact O-N 3.15Å; R268-T272 PolarHBondContact O-OG1 3.45Å; E269-T272 PolarHBondContact O-N 3.4Å; L270-T272 VanDerWaalsContact C-N 3.33Å; T272-R274 PolarHBondContact O-N 3.44Å; T272-G275 PolarHBondContact O-N 2.66Å; T272-I276 HydrophobicContact CG2-CD1 4.34Å; T272-I276 WeakPolarHBondContact O-CG1 3.5Å; T272-I276 PolarHBondContact O-N 3.03Å |
| 273 | L | 97.1 | Very high | 91.3 | Very high | 91 Ų | 91 | 102.9 Ų | 102.9 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 177.1 | -73.7 | 171.4 | 0 | 0 | 0 | 111.4 | E269 L270 G275 I276 F277 | E269-L273 WeakPolarHBondContact O-CG 3.41Å; E269-L273 PolarHBondContact O-N 2.7Å; L270-L273 PolarHBondContact O-N 3.07Å; L273-G275 VanDerWaalsContact C-N 3.27Å; L273-G275 PolarHBondContact O-N 3.11Å; L273-I276 WeakPolarHBondContact O-CB 3.44Å; L273-I276 PolarHBondContact O-N 3.15Å; L273-I276 VanDerWaalsContact O-N 3.09Å; L273-F277 VanDerWaalsContact O-CD2 3.25Å; L273-F277 WeakPolarHBondContact O-CD2 3.46Å; L273-F277 PolarHBondContact O-N 3.43Å |
| 274 | R | 95.2 | Very high | 89.4 | Confident | 154 Ų | 154 | 102.4 Ų | 102.4 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58 | -40.4 | 175.6 | -75 | 170 | 172.6 | 174.2 | -3.5 | 111.9 | L270 D271 T272 I276 F277 R278 | L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.25Å; L270-R274 WeakPolarHBondContact O-CG 3.48Å; L270-R274 PolarHBondContact O-N 3.22Å; D271-R274 PolarHBondContact O-N 3.25Å; D271-R274 IonicContact OD1-NH1 2.81Å; T272-R274 PolarHBondContact O-N 3.44Å; R274-I276 VanDerWaalsContact C-N 3.34Å; R274-F277 PolarHBondContact O-N 3.01Å; R274-R278 VanDerWaalsContact O-CG 3.31Å; R274-R278 WeakPolarHBondContact O-CG 3.46Å; R274-R278 PolarHBondContact O-N 3.42Å |
| 275 | G | 94.7 | Very high | 87.6 | Confident | 29 Ų | 29 | 103.8 Ų | 103.8 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | D271 T272 L273 R278 Q279 | D271-G275 PolarHBondContact O-N 3.16Å; T272-G275 PolarHBondContact O-N 2.66Å; L273-G275 VanDerWaalsContact C-N 3.27Å; L273-G275 PolarHBondContact O-N 3.11Å; G275-R278 PolarHBondContact O-N 3.13Å; G275-Q279 WeakPolarHBondContact O-CG 3.38Å; G275-Q279 PolarHBondContact O-N 3.4Å |
| 276 | I | 93.7 | Very high | 85.8 | Confident | 87 Ų | 87 | 109.1 Ų | 109.1 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -48.8 | 175.9 | -63.8 | 164.1 | 0 | 0 | 0 | 110.7 | T272 L273 R274 R278 Q279 L280 | T272-I276 HydrophobicContact CG2-CD1 4.34Å; T272-I276 WeakPolarHBondContact O-CG1 3.5Å; T272-I276 PolarHBondContact O-N 3.03Å; L273-I276 WeakPolarHBondContact O-CB 3.44Å; L273-I276 PolarHBondContact O-N 3.15Å; L273-I276 VanDerWaalsContact O-N 3.09Å; R274-I276 VanDerWaalsContact C-N 3.34Å; I276-R278 VanDerWaalsContact C-N 3.28Å; I276-R278 PolarHBondContact O-N 3.29Å; I276-Q279 PolarHBondContact O-N 3.26Å; I276-Q279 VanDerWaalsContact O-N 3.1Å; I276-L280 PolarHBondContact O-N 3.33Å |
| 277 | F | 90.8 | Very high | 84.1 | Confident | 118 Ų | 118 | 111 Ų | 111 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -34.5 | 179.6 | -83.9 | -83.4 | 0 | 0 | 0 | 113.2 | L273 R274 Q279 L280 F285 | L273-F277 VanDerWaalsContact O-CD2 3.25Å; L273-F277 WeakPolarHBondContact O-CD2 3.46Å; L273-F277 PolarHBondContact O-N 3.43Å; R274-F277 PolarHBondContact O-N 3.01Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 3.35Å; F277-L280 HydrophobicContact CD1-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.2Å; F277-F285 HydrophobicContact CD1-CE1 4.31Å; F277-F285 AromaticContact CD1-CE2 3.71Å; F277-F285 HydrophobicContact CD1-CE2 3.71Å; F277-F285 AromaticContact CD1-CZ 3.52Å; F277-F285 HydrophobicContact CD1-CZ 3.52Å; F277-F285 AromaticContact CE1-CE1 3.6Å; F277-F285 HydrophobicContact CE1-CE1 3.6Å; F277-F285 AromaticContact CE1-CE2 3.86Å; F277-F285 HydrophobicContact CE1-CE2 3.86Å; F277-F285 AromaticContact CE1-CZ 3.17Å; F277-F285 HydrophobicContact CE1-CZ 3.17Å; F277-F285 HydrophobicContact CZ-CZ 4.24Å |
| 278 | R | 90.8 | Very high | 82.1 | Confident | 225 Ų | 225 | 116.9 Ų | 116.9 | 85% | 0.849 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.8 | -20.1 | 176.8 | -72.1 | 175.7 | 102.5 | 149 | 6.6 | 113.9 | R274 G275 I276 | R274-R278 VanDerWaalsContact O-CG 3.31Å; R274-R278 WeakPolarHBondContact O-CG 3.46Å; R274-R278 PolarHBondContact O-N 3.42Å; G275-R278 PolarHBondContact O-N 3.13Å; I276-R278 VanDerWaalsContact C-N 3.28Å; I276-R278 PolarHBondContact O-N 3.29Å |
| 279 | Q | 86.1 | Confident | 80.5 | Confident | 167 Ų | 167 | 114.1 Ų | 114.1 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -89 | -13.4 | 177.5 | -68.9 | 175.5 | 10.7 | 0 | 0 | 112.7 | G275 I276 F277 | G275-Q279 WeakPolarHBondContact O-CG 3.38Å; G275-Q279 PolarHBondContact O-N 3.4Å; I276-Q279 PolarHBondContact O-N 3.26Å; I276-Q279 VanDerWaalsContact O-N 3.1Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 3.35Å |
| 280 | L | 81.8 | Confident | 77.8 | Confident | 67 Ų | 67 | 118.4 Ų | 118.4 | 35% | 0.351 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -76.6 | 134.4 | 177.9 | -70.5 | 168.2 | 0 | 0 | 0 | 110 | I276 F277 F285 | I276-L280 PolarHBondContact O-N 3.33Å; F277-L280 HydrophobicContact CD1-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.2Å; L280-F285 HydrophobicContact CB-CE2 4.2Å; L280-F285 HydrophobicContact CD1-CE2 3.52Å; L280-F285 HydrophobicContact CD1-CZ 3.74Å; L280-F285 HydrophobicContact CG-CE2 4.48Å |
| 281 | P | 77.1 | Confident | 76.8 | Confident | 96 Ų | 96 | 119.7 Ų | 119.7 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | trans | -59.7 | 142 | 178.5 | -21.3 | 31 | 0 | 0 | 0 | 112 | G283 S284 | P281-G283 PolarHBondContact O-N 3.07Å; P281-S284 PolarHBondContact O-N 3.49Å | ||
| 282 | D | 67.8 | Low | 75.7 | Confident | 177 Ų | 177 | 121.5 Ų | 121.5 | 95% | 0.947 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -8.3 | -173.4 | -64.1 | -37.7 | 0 | 0 | 0 | 115.5 | ||
| 283 | G | 59.4 | Low | 74.5 | Confident | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | P281 | P281-G283 PolarHBondContact O-N 3.07Š|
| 284 | S | 58.3 | Low | 73.1 | Confident | 81 Ų | 81 | 125.2 Ų | 125.2 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -82.6 | -16.7 | -173.4 | -169.5 | 0 | 0 | 0 | 0 | 114.5 | P281 | P281-S284 PolarHBondContact O-N 3.49Š|
| 285 | F | 60.5 | Low | 71.8 | Confident | 125 Ų | 125 | 123.4 Ų | 123.4 | 55% | 0.548 | 69% | 0.694 | S | S | . | * | trans | -101.8 | 81.9 | 178.2 | -73.4 | -81.6 | 0 | 0 | 0 | 110.3 | F277 L280 | F277-F285 HydrophobicContact CD1-CE1 4.31Å; F277-F285 AromaticContact CD1-CE2 3.71Å; F277-F285 HydrophobicContact CD1-CE2 3.71Å; F277-F285 AromaticContact CD1-CZ 3.52Å; F277-F285 HydrophobicContact CD1-CZ 3.52Å; F277-F285 AromaticContact CE1-CE1 3.6Å; F277-F285 HydrophobicContact CE1-CE1 3.6Å; F277-F285 AromaticContact CE1-CE2 3.86Å; F277-F285 HydrophobicContact CE1-CE2 3.86Å; F277-F285 AromaticContact CE1-CZ 3.17Å; F277-F285 HydrophobicContact CE1-CZ 3.17Å; F277-F285 HydrophobicContact CZ-CZ 4.24Å; L280-F285 HydrophobicContact CB-CE2 4.2Å; L280-F285 HydrophobicContact CD1-CE2 3.52Å; L280-F285 HydrophobicContact CD1-CZ 3.74Å; L280-F285 HydrophobicContact CG-CE2 4.48Å | ||
| 286 | K | 62.3 | Low | 70.2 | Confident | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -77.8 | 121.2 | 155.9 | -70 | -169.1 | 178.9 | -173.4 | 0 | 107.4 | L288 | K286-L288 PolarHBondContact O-N 3.16Š| ||
| 287 | P | 61.6 | Low | 68.6 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | trans | -60 | 124.4 | 172.2 | 23.7 | -29.9 | 0 | 0 | 0 | 108.4 | G289 | P287-G289 PolarHBondContact O-N 3.19Š| ||
| 288 | L | 57.5 | Low | 66.8 | Low | 192 Ų | 192 | 133.8 Ų | 133.8 | 100% | 1.005 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -66.3 | 83.3 | 169.8 | -88.5 | 142.6 | 0 | 0 | 0 | 108 | K286 | K286-L288 PolarHBondContact O-N 3.16Š|
| 289 | G | 63.9 | Low | 64.9 | Low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | 154 | 40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P287 | P287-G289 PolarHBondContact O-N 3.19Š| ||
| 290 | S | 41.9 | Very low | 62.9 | Low | 184 Ų | 184 | 122.5 Ų | 122.5 | 100% | 1.287 | 75% | 0.747 | S | S | * | * | trans | -119.7 | 0 | 158.7 | -75.2 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 290 of 290 residues in 68.7 ms
(Link to these results)