| 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 | 43.3 | Very low | 39.4 | Very low | 231 Ų | 231 | 164.3 Ų | 164.3 | 100% | 1.138 | 85% | 0.849 | S | S | * | * | 0 | 6.2 | 0 | -82.9 | -74.9 | -85 | 0 | 0 | 113.1 | |||||
| 2 | E | 40.6 | Very low | 39.1 | Very low | 174 Ų | 174 | 164.1 Ų | 164.1 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | trans | -98.7 | 4.3 | -170.1 | -70.2 | 167.7 | 129 | 0 | 0 | 115.9 | L4 | E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.4Å | ||
| 3 | Y | 38.4 | Very low | 38.5 | Very low | 234 Ų | 234 | 167 Ų | 167 | 92% | 0.918 | 85% | 0.853 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 11.4 | -171 | -97.4 | -83.5 | 0 | 0 | 0 | 116.2 | ||
| 4 | L | 42.6 | Very low | 38.1 | Very low | 168 Ų | 168 | 167.7 Ų | 167.7 | 88% | 0.88 | 85% | 0.847 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 14.8 | -170.2 | -70.8 | 175.4 | 0 | 0 | 0 | 115.5 | E2 | E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.4Å |
| 5 | T | 45.6 | Very low | 37.8 | Very low | 111 Ų | 111 | 165.1 Ų | 165.1 | 68% | 0.681 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -132.9 | 66.4 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 6 | N | 37.1 | Very low | 37.5 | Very low | 170 Ų | 170 | 163.1 Ų | 163.1 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -166.1 | 17.9 | 161.5 | -97.9 | -27.2 | 0 | 0 | 0 | 115.4 | ||
| 7 | S | 36.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 162.9 Ų | 162.9 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -132.5 | 157.1 | -179.9 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 8 | D | 37.3 | Very low | 37.1 | Very low | 138 Ų | 138 | 160.9 Ų | 160.9 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | 78.7 | 34.3 | 165.1 | -51.3 | -24.8 | 0 | 0 | 0 | 119.4 | ||||
| 9 | L | 40.7 | Very low | 37 | Very low | 173 Ų | 173 | 161.3 Ų | 161.3 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -104.7 | -4.3 | 155.9 | -83.1 | 178.5 | 0 | 0 | 0 | 115 | ||
| 10 | N | 36.4 | Very low | 36.9 | Very low | 153 Ų | 153 | 161.4 Ų | 161.4 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -131.2 | 87.4 | 175.6 | -83.4 | -35.8 | 0 | 0 | 0 | 110.9 | ||||
| 11 | N | 35.2 | Very low | 36.8 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | trans | -149.1 | 94 | 157 | -98.1 | -43 | 0 | 0 | 0 | 110.1 | ||||
| 12 | N | 36.2 | Very low | 36.3 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -60.9 | 152.7 | 169.5 | -89.7 | -43.7 | 0 | 0 | 0 | 111.1 | F14 | N12-F14 PolarHBondContact O-N 2.93Š| ||
| 13 | F | 30.6 | Very low | 36 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -48 | 111.4 | 165.2 | -99.9 | -115.1 | 0 | 0 | 0 | 111.3 | ||||
| 14 | F | 32.8 | Very low | 35.7 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -147.9 | 115.9 | 147.4 | -128.3 | -86.4 | 0 | 0 | 0 | 111.5 | N12 N16 | N12-F14 PolarHBondContact O-N 2.93Å; F14-N16 PolarHBondContact O-N 2.99Å; F14-N16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | V | 34.1 | Very low | 35.5 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -80.4 | 93 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 16 | N | 32.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -97.3 | 102.9 | 171.5 | -85.4 | -18 | 0 | 0 | 0 | 110.9 | F14 T18 | F14-N16 PolarHBondContact O-N 2.99Å; F14-N16 VanDerWaalsContact O-N 3.16Å; N16-T18 PolarHBondContact O-N 3.16Å | ||
| 17 | N | 33.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 105.5 | 174.1 | -151.2 | 12.7 | 0 | 0 | 0 | 108.1 | N19 | N17-N19 PolarHBondContact O-N 3.45Š| ||
| 18 | T | 35.1 | Very low | 35 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -69.6 | 120.7 | -177.2 | 42.2 | 0 | 0 | 0 | 0 | 111.4 | N16 | N16-T18 PolarHBondContact O-N 3.16Š| ||
| 19 | N | 34.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -141.1 | 115.9 | 159.7 | -144.3 | 8.8 | 0 | 0 | 0 | 108.1 | N17 | N17-N19 PolarHBondContact O-N 3.45Š| ||
| 20 | H | 36.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -84.1 | 157 | -161.3 | -119.5 | -76.8 | 0 | 0 | 0 | 113.8 | ||||
| 21 | N | 33.7 | Very low | 34.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | 85 | 104.5 | 151.6 | -69.2 | -5.7 | 0 | 0 | 0 | 120.8 | ||||
| 22 | N | 32.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | 79.4 | 101.8 | 123.1 | -55.5 | -7.9 | 0 | 0 | 0 | 118 | |||||
| 23 | N | 33.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | -161.2 | 129.5 | 101.1 | -98.1 | -18.9 | 0 | 0 | 0 | 114.5 | |||||
| 24 | S | 33.5 | Very low | 34.9 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 1.7 | 144.6 | 156.7 | -152 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 25 | S | 38.1 | Very low | 35.2 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 98.2 | 129.9 | 139.1 | 79.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 26 | N | 38.2 | Very low | 35.4 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 81.7 | 101.3 | 143.8 | -61 | -5.7 | 0 | 0 | 0 | 119.9 | ||||
| 27 | N | 36.7 | Very low | 35.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | 127.3 | 105.4 | 124.4 | -64.1 | -20.5 | 0 | 0 | 0 | 116.1 | |||||
| 28 | N | 33.4 | Very low | 35.5 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 13.2 | 127.4 | 135.6 | -49.5 | -12.2 | 0 | 0 | 0 | 117.8 | ||||
| 29 | T | 35.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | -171.7 | 113.5 | 127.5 | -77.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 30 | V | 35.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | trans | 47.3 | 112.7 | 145.5 | -174.3 | 0 | 0 | 0 | 0 | 119.6 | L32 | V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.23Å | ||
| 31 | C | 32.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -72.7 | 135.3 | 156.9 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 32 | L | 34.8 | Very low | 35.7 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -114.2 | 123.3 | 165.6 | -70.7 | 175.7 | 0 | 0 | 0 | 109.6 | V30 | V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.23Å | ||
| 33 | S | 32.2 | Very low | 35.9 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -67.1 | 145.3 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | T35 | S33-T35 PolarHBondContact O-N 3.28Å; S33-T35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | P | 43.9 | Very low | 36.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 102.3 | 172.5 | 30.1 | -32.3 | 0 | 0 | 0 | 110.3 | I36 | P34-I36 PolarHBondContact O-N 3.13Š| ||
| 35 | T | 38.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -62.1 | 123.4 | 169.9 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | S33 L37 | S33-T35 PolarHBondContact O-N 3.28Å; S33-T35 VanDerWaalsContact O-N 3.12Å; T35-L37 PolarHBondContact O-N 2.94Å; T35-L37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | I | 37.7 | Very low | 36 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 108 | 172.7 | -63 | 176.3 | 0 | 0 | 0 | 108.6 | P34 N38 | P34-I36 PolarHBondContact O-N 3.13Å; I36-N38 PolarHBondContact O-N 3.36Å; I36-N38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | L | 34.7 | Very low | 36.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | -77.8 | 92.2 | 167.8 | -80.1 | 174.1 | 0 | 0 | 0 | 109.9 | T35 F39 | T35-L37 PolarHBondContact O-N 2.94Å; T35-L37 VanDerWaalsContact O-N 3.13Å; L37-F39 HydrophobicContact CB-CD2 4.1Å; L37-F39 HydrophobicContact CB-CE2 3.82Å; L37-F39 HydrophobicContact CD1-CE2 4.1Å; L37-F39 HydrophobicContact CG-CE2 4.45Å; L37-F39 PolarHBondContact O-N 2.89Å; L37-F39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | N | 32.9 | Very low | 36.8 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -69.3 | 92.2 | 170.2 | 180 | 22.2 | 0 | 0 | 0 | 110.5 | I36 N40 | I36-N38 PolarHBondContact O-N 3.36Å; I36-N38 VanDerWaalsContact O-N 3.1Å; N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.29Å; N38-N40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | F | 37.4 | Very low | 37 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -84 | 68.6 | 171.7 | -79 | -76.8 | 0 | 0 | 0 | 111.7 | L37 | L37-F39 HydrophobicContact CB-CD2 4.1Å; L37-F39 HydrophobicContact CB-CE2 3.82Å; L37-F39 HydrophobicContact CD1-CE2 4.1Å; L37-F39 HydrophobicContact CG-CE2 4.45Å; L37-F39 PolarHBondContact O-N 2.89Å; L37-F39 VanDerWaalsContact O-N 3.08Å | ||
| 40 | N | 35.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -113 | 95.8 | 162.4 | -103 | -21.4 | 0 | 0 | 0 | 108.9 | N38 | N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.29Å; N38-N40 VanDerWaalsContact O-N 3.11Å | ||
| 41 | N | 34.6 | Very low | 37.1 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 97.3 | 170 | -124.1 | -9 | 0 | 0 | 0 | 109.3 | ||||
| 42 | P | 37.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -89.3 | 110.1 | 177.4 | 32.7 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 43 | S | 36.9 | Very low | 38 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | -162.5 | 135.9 | 170 | -93.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 44 | Y | 36.7 | Very low | 38.4 | Very low | 214 Ų | 214 | 146.6 Ų | 146.6 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | 57.9 | 96.6 | 171.3 | -60.9 | -78 | 0 | 0 | 0 | 118.3 | ||||
| 45 | Y | 38.3 | Very low | 38.7 | Very low | 230 Ų | 230 | 150.1 Ų | 150.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | -171.1 | 116.9 | 107.2 | -113.6 | -82.4 | 0 | 0 | 0 | 110.4 | |||||
| 46 | S | 31.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 139.3 | 170.6 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 47 | P | 50.1 | Low | 38.7 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 141 | 146.9 | -0.5 | 20.7 | 0 | 0 | 0 | 109.6 | ||
| 48 | H | 40.8 | Very low | 38.4 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.1 | -174.2 | -88.8 | -99.4 | 0 | 0 | 0 | 114.3 | ||
| 49 | L | 38.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127.2 | 153.1 | -73.1 | 163 | 0 | 0 | 0 | 109.5 | ||
| 50 | I | 39.3 | Very low | 38.7 | Very low | 136 Ų | 136 | 153.8 Ų | 153.8 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | trans | -131.9 | 106 | 154.6 | -61.8 | -177.8 | 0 | 0 | 0 | 107 | F52 | I50-F52 HydrophobicContact CG2-CD2 3.58Å; I50-F52 HydrophobicContact CG2-CE2 3.69Å | ||
| 51 | N | 34.8 | Very low | 39 | Very low | 155 Ų | 155 | 157.4 Ų | 157.4 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 135 | 162.2 | -92.9 | -5.2 | 0 | 0 | 0 | 108.3 | ||||
| 52 | F | 40.7 | Very low | 39.1 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 80% | 0.803 | 81% | 0.814 | S | S | * | * | trans | -129.4 | 138.2 | 152.6 | -90.3 | -80.6 | 0 | 0 | 0 | 108.8 | I50 | I50-F52 HydrophobicContact CG2-CD2 3.58Å; I50-F52 HydrophobicContact CG2-CE2 3.69Å | ||
| 53 | P | 44.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 162.9 | -178.3 | 34.5 | -35.3 | 0 | 0 | 0 | 111.9 | ||||
| 54 | P | 41.7 | Very low | 39.5 | Very low | 126 Ų | 126 | 162.7 Ų | 162.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -88.8 | 138.6 | 179.4 | 34.5 | -32.2 | 0 | 0 | 0 | 112.2 | ||||
| 55 | E | 49.7 | Very low | 39.8 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | -119.6 | 146.9 | 159.6 | -78.7 | -168.1 | 150.9 | 0 | 0 | 110.8 | ||||
| 56 | Q | 36.8 | Very low | 39.9 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -88.1 | 148.5 | -179.2 | -58.1 | 172.3 | -27.9 | 0 | 0 | 109.7 | ||||
| 57 | L | 39.3 | Very low | 40.4 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -165.6 | 146.2 | 136.1 | -105.7 | 167.1 | 0 | 0 | 0 | 110.4 | ||||
| 58 | N | 29.9 | Very low | 39.9 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -97.9 | -166.3 | -171 | -66.3 | -44 | 0 | 0 | 0 | 111.9 | ||||
| 59 | S | 39.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 77.8 | 106 | 177.3 | 70.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 60 | E | 36 | Very low | 39.8 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | 85.6 | 111.1 | 55.1 | -173.3 | 173 | -132.2 | 0 | 0 | 111.1 | |||||
| 61 | F | 42.9 | Very low | 39.8 | Very low | 208 Ų | 208 | 159.6 Ų | 159.6 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -177.8 | 127 | 141.7 | -103.7 | -67.5 | 0 | 0 | 0 | 110.7 | ||||
| 62 | D | 37.1 | Very low | 40 | Very low | 141 Ų | 141 | 160.7 Ų | 160.7 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -66.3 | 152.4 | 172.4 | -70.2 | -65.6 | 0 | 0 | 0 | 112.5 | ||||
| 63 | H | 44.6 | Very low | 39.7 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | -178.4 | 151.6 | 112.8 | -98.2 | 60.4 | 0 | 0 | 0 | 114.9 | |||||
| 64 | N | 37.1 | Very low | 39.6 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -41.6 | 160.2 | -174.7 | -113 | -19 | 0 | 0 | 0 | 120.1 | ||||
| 65 | P | 44.2 | Very low | 39.3 | Very low | 99 Ų | 99 | 165.9 Ų | 165.9 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | -103.1 | 147.7 | -174.7 | 38.6 | -31.7 | 0 | 0 | 0 | 115.2 | ||||
| 66 | H | 40.5 | Very low | 38.7 | Very low | 178 Ų | 178 | 165.1 Ų | 165.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -165.6 | 157.2 | 144.8 | -113.9 | 40 | 0 | 0 | 0 | 113.5 | ||||
| 67 | H | 41.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 163.5 Ų | 163.5 | 68% | 0.676 | 80% | 0.803 | S | S | * | * | trans | 83 | 140 | 155.5 | -104.9 | -67 | 0 | 0 | 0 | 122.4 | ||||
| 68 | H | 39.3 | Very low | 38.9 | Very low | 153 Ų | 153 | 162.5 Ų | 162.5 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | 70.8 | 104.2 | 170.3 | -62.5 | 88.2 | 0 | 0 | 0 | 116.4 | ||||
| 69 | Q | 38.1 | Very low | 39.2 | Very low | 158 Ų | 158 | 163.5 Ų | 163.5 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | cis | 84 | 131.3 | 38.8 | -157.9 | 174.2 | 6.7 | 0 | 0 | 113.6 | ||||
| 70 | Q | 38.3 | Very low | 39.2 | Very low | 173 Ų | 173 | 165.2 Ų | 165.2 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | 75.4 | 100.5 | -177.4 | -52.8 | 177.6 | 22 | 0 | 0 | 116.3 | ||||
| 71 | Q | 40.4 | Very low | 39.5 | Very low | 182 Ų | 182 | 165 Ų | 165 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | -162.7 | 128 | 116.3 | -102.1 | 169 | 57.9 | 0 | 0 | 112.2 | |||||
| 72 | H | 38.5 | Very low | 39.3 | Very low | 178 Ų | 178 | 163.1 Ų | 163.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 47.7 | 104.2 | 160.7 | -59.7 | -64.7 | 0 | 0 | 0 | 122.1 | ||||
| 73 | Q | 33.4 | Very low | 39.4 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -68.3 | 136.8 | 157.1 | -57.5 | 166.6 | -2.1 | 0 | 0 | 111 | ||||
| 74 | H | 42.1 | Very low | 39 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -161.4 | 141.5 | 150.5 | -119.1 | -89.7 | 0 | 0 | 0 | 110.2 | ||||
| 75 | H | 37.1 | Very low | 39.3 | Very low | 168 Ų | 168 | 164.1 Ų | 164.1 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | 70.9 | 53.7 | 174 | -66.9 | -79.9 | 0 | 0 | 0 | 119.9 | ||||
| 76 | E | 36.9 | Very low | 39 | Very low | 185 Ų | 185 | 167.3 Ų | 167.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | -116.8 | 154.6 | 129.2 | -81.9 | -141.8 | 134.2 | 0 | 0 | 109.6 | |||||
| 77 | N | 37.2 | Very low | 39 | Very low | 151 Ų | 151 | 166.5 Ų | 166.5 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | trans | 103 | 59.3 | -176.4 | -60.3 | -56.4 | 0 | 0 | 0 | 118 | K79 | N77-K79 PolarHBondContact O-N 2.96Å; N77-K79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | V | 41.8 | Very low | 39.1 | Very low | 152 Ų | 152 | 167.3 Ų | 167.3 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -84.1 | 77.2 | 149.5 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | T80 | V78-T80 PolarHBondContact O-N 3.34Š| ||
| 79 | K | 37.7 | Very low | 38.9 | Very low | 171 Ų | 171 | 167.9 Ų | 167.9 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | trans | 9.5 | 103.6 | 159.1 | -70.9 | 167.4 | -179.3 | 168.2 | 0 | 117.4 | N77 K81 | N77-K79 PolarHBondContact O-N 2.96Å; N77-K79 VanDerWaalsContact O-N 3.16Å; K79-K81 HydrophobicContact CB-CB 4.41Å; K79-K81 PolarHBondContact O-N 3.23Å; K79-K81 VanDerWaalsContact O-N 3.11Å | ||
| 80 | T | 37.9 | Very low | 38.7 | Very low | 144 Ų | 144 | 165.7 Ų | 165.7 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | -49.5 | 103.6 | 124.8 | 39 | 0 | 0 | 0 | 0 | 109.9 | V78 | V78-T80 PolarHBondContact O-N 3.34Š| |||
| 81 | K | 42.7 | Very low | 38.8 | Very low | 171 Ų | 171 | 167.1 Ų | 167.1 | 74% | 0.743 | 84% | 0.836 | S | S | * | * | trans | -173.5 | 75.3 | 162.4 | -108.6 | 169.8 | -173.2 | -172.8 | 0 | 110.5 | K79 | K79-K81 HydrophobicContact CB-CB 4.41Å; K79-K81 PolarHBondContact O-N 3.23Å; K79-K81 VanDerWaalsContact O-N 3.11Å | ||
| 82 | L | 39.3 | Very low | 38.6 | Very low | 170 Ų | 170 | 166.1 Ų | 166.1 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | -137.3 | 17.1 | 168.8 | -120.8 | 173 | 0 | 0 | 0 | 113.4 | ||||
| 83 | N | 38 | Very low | 38.9 | Very low | 145 Ų | 145 | 163.3 Ų | 163.3 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -110 | 140 | 153.9 | -70.2 | -24.8 | 0 | 0 | 0 | 105.8 | ||
| 84 | D | 36.9 | Very low | 38.8 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | trans | 109.8 | 58.1 | -173 | -60.3 | -17.1 | 0 | 0 | 0 | 114.8 | ||||
| 85 | K | 42.9 | Very low | 38.6 | Very low | 206 Ų | 206 | 161.1 Ų | 161.1 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -149.8 | 9.7 | 160 | -118.8 | -174.4 | -173.5 | -159.6 | 0 | 117 | ||
| 86 | L | 38 | Very low | 38.6 | Very low | 167 Ų | 167 | 161.4 Ų | 161.4 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -127.4 | 53 | 176.2 | -83 | 166.7 | 0 | 0 | 0 | 111.5 | ||||
| 87 | L | 41.6 | Very low | 38.5 | Very low | 160 Ų | 160 | 162 Ų | 162 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -129.2 | 40.8 | 168.4 | -161.4 | 81.3 | 0 | 0 | 0 | 111.4 | ||
| 88 | M | 43.2 | Very low | 38.7 | Very low | 164 Ų | 164 | 159.4 Ų | 159.4 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | -154.7 | 87.4 | 165.9 | -75.8 | -55.3 | 157.6 | 0 | 0 | 108.7 | ||||
| 89 | N | 34.9 | Very low | 38.6 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -166 | 51.3 | 161.7 | -98.7 | -19.7 | 0 | 0 | 0 | 111.1 | ||||
| 90 | S | 34.9 | Very low | 38.8 | Very low | 113 Ų | 113 | 156.6 Ų | 156.6 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -107.7 | 69 | 170 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | K | 40.5 | Very low | 39 | Very low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -133.6 | 108.9 | 165.6 | -78.4 | -162.9 | 172.5 | -172.2 | 0 | 111.3 | ||||
| 92 | L | 36.1 | Very low | 38.8 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.7 | 167 | -127.4 | 70.9 | 0 | 0 | 0 | 110 | ||
| 93 | P | 43.4 | Very low | 38.8 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.2 | 157 | -5.9 | 24.6 | 0 | 0 | 0 | 109.1 | ||
| 94 | T | 33 | Very low | 38.8 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 128.9 | 166.7 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 95 | H | 37.8 | Very low | 38.9 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -133.4 | 133.5 | 156.1 | -102.9 | -86.5 | 0 | 0 | 0 | 109.5 | ||||
| 96 | H | 35.6 | Very low | 38.8 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -68.7 | 137 | 178.2 | -76.9 | -90.5 | 0 | 0 | 0 | 111.4 | ||||
| 97 | E | 34.9 | Very low | 38.7 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -142.7 | 153.8 | 136.3 | -133.3 | 165.2 | -170.5 | 0 | 0 | 108.8 | ||||
| 98 | V | 41 | Very low | 38.5 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | -129.8 | 152.6 | -152.4 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 99 | N | 40.5 | Very low | 38.1 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 78.8 | 141.9 | -179.6 | -46.9 | -51.1 | 0 | 0 | 0 | 113.8 | ||||
| 100 | N | 42.7 | Very low | 38.3 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | cis | -152.7 | 161.2 | -0.4 | -110.7 | -1.2 | 0 | 0 | 0 | 109.5 | ||||
| 101 | D | 40.7 | Very low | 38.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 58.7 | 129.7 | 162.9 | -43.6 | -34.7 | 0 | 0 | 0 | 117.7 | ||||
| 102 | G | 39 | Very low | 37.9 | Very low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | 136.8 | 57.2 | 9.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 103 | N | 40.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -172.8 | 131.9 | 147.6 | -99.2 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 104 | I | 36.3 | Very low | 37.4 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -99.6 | 130 | 169.3 | -66.7 | 169 | 0 | 0 | 0 | 107.3 | ||||
| 105 | M | 40.5 | Very low | 37.6 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -135.1 | 121 | 157.4 | -158.6 | 169.8 | -179.4 | 0 | 0 | 109 | ||||
| 106 | N | 39.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 161.7 | -177.4 | -91.4 | -23.5 | 0 | 0 | 0 | 111.5 | ||||
| 107 | P | 37 | Very low | 37 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 152.6 | -162.1 | 30.5 | -36.7 | 0 | 0 | 0 | 113.3 | ||||
| 108 | I | 37.9 | Very low | 36.9 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -113.2 | 116.1 | 174.2 | -69.5 | 172.7 | 0 | 0 | 0 | 108.6 | I110 | I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å | ||
| 109 | D | 33.5 | Very low | 36.3 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -68.4 | 135.6 | 163.8 | -67.5 | -60.9 | 0 | 0 | 0 | 110.2 | ||||
| 110 | I | 39.3 | Very low | 36.1 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 96.8 | 161.7 | -57.3 | -174.7 | 0 | 0 | 0 | 109.3 | I108 | I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å | ||
| 111 | H | 38.1 | Very low | 35.5 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | trans | 45.5 | 124.8 | 138.2 | -97.1 | -93 | 0 | 0 | 0 | 121.5 | ||||
| 112 | E | 29.2 | Very low | 35.3 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -59.3 | 146.2 | 148.9 | -57.8 | -175.1 | 134.6 | 0 | 0 | 110.9 | ||||
| 113 | D | 36.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -143.2 | 118 | 150.7 | -108 | -34.7 | 0 | 0 | 0 | 110.5 | ||||
| 114 | S | 32.5 | Very low | 34.7 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -90.5 | 116.4 | 179.9 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 115 | V | 37.5 | Very low | 34.7 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -127.4 | 114.2 | 169.8 | -169.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 116 | N | 31 | Very low | 34.3 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -42.6 | 130.7 | 172.4 | -68.8 | -67.6 | 0 | 0 | 0 | 117 | ||||
| 117 | K | 29.8 | Very low | 34.2 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | 49.6 | 108 | 114.4 | -161.1 | -177.9 | -169.1 | 177.6 | 0 | 117.8 | |||||
| 118 | C | 31.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -139.6 | 117.2 | 152.7 | -164.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 119 | N | 28.3 | Very low | 34.4 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -85.9 | 138.2 | 158.5 | -70.7 | -17.3 | 0 | 0 | 0 | 106.9 | ||||
| 120 | Q | 37 | Very low | 34.6 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -124 | 131.3 | 159.5 | -73.4 | -166.7 | 0.5 | 0 | 0 | 111.2 | ||||
| 121 | S | 30 | Very low | 34.2 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -108.7 | 140.2 | -173.8 | -46.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 122 | S | 37.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -171.5 | 144.3 | 158.5 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 123 | N | 33.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -163.3 | 143.7 | -18 | -105.5 | -26.2 | 0 | 0 | 0 | 107.8 | ||||
| 124 | I | 32 | Very low | 35.1 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | 51.1 | 121.8 | 137.8 | -52.6 | 166.8 | 0 | 0 | 0 | 117 | ||||
| 125 | V | 37.5 | Very low | 35.7 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | -150.5 | 150.3 | 82.3 | 163.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 126 | H | 32.4 | Very low | 35.7 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -89.1 | 152.3 | -175.2 | -89.3 | -103.4 | 0 | 0 | 0 | 116.7 | ||||
| 127 | S | 36.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | 177.4 | 110.1 | 125.3 | 32.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 128 | S | 36.1 | Very low | 36.7 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | 86.5 | 142.3 | 50.7 | -66 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 129 | I | 42 | Very low | 37.2 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | 80.1 | 127.1 | -179.7 | -58 | 171.6 | 0 | 0 | 0 | 113.3 | ||||
| 130 | N | 39.3 | Very low | 37.8 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | cis | -159.8 | 176.5 | -16.8 | -111.4 | -10.8 | 0 | 0 | 0 | 111.3 | ||||
| 131 | N | 30.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -152.3 | 147.1 | 168.1 | -105.5 | -26.5 | 0 | 0 | 0 | 110.4 | ||||
| 132 | T | 43.1 | Very low | 38.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -137.3 | 120.1 | 170.3 | 41.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 133 | T | 41.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 21.5 | 137.9 | 141.3 | 62.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 134 | G | 38.8 | Very low | 38.8 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 150.2 | -179.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 135 | K | 43.5 | Very low | 39.1 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | 97.8 | 92.9 | 172.7 | -58.2 | 177.5 | -179.9 | 174.1 | 0 | 119.4 | ||||
| 136 | K | 37.5 | Very low | 39.4 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | 26.8 | 127.6 | 127.5 | -58.7 | 175.6 | 179.3 | 177.1 | 0 | 120.5 | |||||
| 137 | T | 42.8 | Very low | 39.7 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | -164.5 | 166.6 | 108.1 | 26.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 138 | K | 39.7 | Very low | 39.7 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -115.6 | 132.1 | -165.4 | -63.8 | 175.1 | 178.1 | 177 | 0 | 113.3 | ||||
| 139 | S | 42.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -171.8 | 160.8 | 138.5 | 60.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 140 | S | 40.7 | Very low | 39.6 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | cis | -167.5 | 153.7 | -45.7 | -169 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 141 | V | 43 | Very low | 39.8 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 80.3 | 102.6 | 166.6 | -165.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 142 | K | 36.9 | Very low | 40.3 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | 65.6 | 84.3 | 145.5 | -62.4 | 173 | -175.2 | 176.9 | 0 | 119.7 | ||||
| 143 | T | 38.6 | Very low | 40.5 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 123.1 | 141.2 | 38.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 144 | A | 39.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -89.5 | 106.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 145 | K | 38 | Very low | 41.1 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -93.9 | 111.2 | 160.2 | -72.9 | -177.4 | 177.8 | 179.6 | 0 | 108.1 | ||||
| 146 | Q | 45.2 | Very low | 41.1 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -120.6 | 134.9 | 163.2 | -87.3 | -172.7 | -0.4 | 0 | 0 | 110.3 | ||||
| 147 | S | 38.7 | Very low | 41.9 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 19.9 | 119.8 | 154.5 | -46.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 148 | T | 35.2 | Very low | 42.5 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | 52.5 | 127.4 | 69.6 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 149 | T | 37.4 | Very low | 43.4 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | 72.8 | 50.4 | 154.1 | -38.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 150 | V | 40 | Very low | 44.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | trans | -139.2 | 64 | 169.1 | -161.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 151 | Q | 42.2 | Very low | 45.5 | Very low | 162 Ų | 162 | 129 Ų | 129 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -134.8 | -19.8 | 164.9 | -72.3 | -163.2 | -2 | 0 | 0 | 116.6 | ||
| 152 | N | 42.3 | Very low | 46.2 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -95.4 | -11.1 | -179.8 | -77.5 | -11.3 | 0 | 0 | 0 | 115.8 | ||
| 153 | K | 46.3 | Very low | 47.6 | Very low | 188 Ų | 188 | 124.1 Ų | 124.1 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78 | -26.1 | 177 | -87.1 | -177.7 | 173.8 | 177.9 | 0 | 114.5 | ||
| 154 | M | 45.3 | Very low | 49.1 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.3 | -43.3 | -179.4 | -81.1 | -174.6 | -86.8 | 0 | 0 | 113.1 | N156 S157 T158 | M154-N156 VanDerWaalsContact C-N 3.31Å; M154-N156 PolarHBondContact O-N 3.42Å; M154-S157 WeakPolarHBondContact O-CB 3.4Å; M154-S157 PolarHBondContact O-N 3.07Å; M154-T158 PolarHBondContact O-N 3.22Å; M154-T158 PolarHBondContact O-OG1 3.02Å |
| 155 | K | 47.1 | Very low | 50.5 | Low | 137 Ų | 137 | 121.7 Ų | 121.7 | 60% | 0.596 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.4 | -39.9 | -175.5 | -66 | 178 | -178.7 | 173.2 | 0 | 112.8 | I159 | K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.44Å; K155-I159 PolarHBondContact O-N 3.34Å; K155-I159 VanDerWaalsContact O-N 3.11Å |
| 156 | N | 44.3 | Very low | 51.5 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 64% | 0.642 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.7 | -32.4 | 177.2 | -66.9 | 5.3 | 0 | 0 | 0 | 112.4 | M154 S160 | M154-N156 VanDerWaalsContact C-N 3.31Å; M154-N156 PolarHBondContact O-N 3.42Å; N156-S160 WeakPolarHBondContact O-CB 3.49Å; N156-S160 PolarHBondContact O-N 3.46Å |
| 157 | S | 53.3 | Low | 52.8 | Low | 59 Ų | 59 | 113.8 Ų | 113.8 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.7 | -42.9 | 175.3 | -170.5 | 0 | 0 | 0 | 0 | 112 | M154 S160 K161 | M154-S157 WeakPolarHBondContact O-CB 3.4Å; M154-S157 PolarHBondContact O-N 3.07Å; S157-S160 PolarHBondContact O-N 3.33Å; S157-K161 WeakPolarHBondContact O-CG 3.29Å; S157-K161 PolarHBondContact O-N 3Å |
| 158 | T | 57.1 | Low | 54.1 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.4 | -37.4 | 176.6 | -4.9 | 0 | 0 | 0 | 0 | 112.3 | M154 N162 | M154-T158 PolarHBondContact O-N 3.22Å; M154-T158 PolarHBondContact O-OG1 3.02Å; T158-N162 WeakPolarHBondContact O-CB 3.47Å; T158-N162 PolarHBondContact O-N 3.37Å; T158-N162 PolarHBondContact O-ND2 2.79Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å |
| 159 | I | 56.9 | Low | 55.7 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 48% | 0.482 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -45.8 | 173.7 | -71.2 | 166.9 | 0 | 0 | 0 | 110.4 | K155 N162 Q163 | K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.44Å; K155-I159 PolarHBondContact O-N 3.34Å; K155-I159 VanDerWaalsContact O-N 3.11Å; I159-N162 PolarHBondContact O-N 3.45Å; I159-Q163 WeakPolarHBondContact O-CG 3.37Å; I159-Q163 PolarHBondContact O-N 3.31Å |
| 160 | S | 63 | Low | 57 | Low | 71 Ų | 71 | 109.7 Ų | 109.7 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -46.9 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | N156 S157 N162 Q163 L164 | N156-S160 WeakPolarHBondContact O-CB 3.49Å; N156-S160 PolarHBondContact O-N 3.46Å; S157-S160 PolarHBondContact O-N 3.33Å; S160-N162 PolarHBondContact O-N 3.47Å; S160-Q163 PolarHBondContact O-N 2.94Å; S160-Q163 VanDerWaalsContact O-N 3.12Å; S160-L164 PolarHBondContact O-N 2.68Å |
| 161 | K | 65.5 | Low | 58.2 | Low | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.9 | -45.1 | 175.7 | -74.8 | -179.4 | 178.7 | -177.4 | 0 | 112.3 | S157 Q163 L164 I165 | S157-K161 WeakPolarHBondContact O-CG 3.29Å; S157-K161 PolarHBondContact O-N 3Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.38Å; K161-L164 PolarHBondContact O-N 3.18Å; K161-I165 WeakPolarHBondContact O-CD1 3.47Å; K161-I165 VanDerWaalsContact O-CG1 3.26Å; K161-I165 WeakPolarHBondContact O-CG1 3.37Å; K161-I165 PolarHBondContact O-N 3.47Å |
| 162 | N | 56.1 | Low | 59.2 | Low | 89 Ų | 89 | 107.2 Ų | 107.2 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 176.3 | -76.4 | -39.9 | 0 | 0 | 0 | 112.2 | T158 I159 S160 N166 | T158-N162 WeakPolarHBondContact O-CB 3.47Å; T158-N162 PolarHBondContact O-N 3.37Å; T158-N162 PolarHBondContact O-ND2 2.79Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å; I159-N162 PolarHBondContact O-N 3.45Å; S160-N162 PolarHBondContact O-N 3.47Å; N162-N166 WeakPolarHBondContact O-CB 3.4Å; N162-N166 PolarHBondContact O-N 3.45Å; N162-N166 VanDerWaalsContact O-N 3.12Å; N162-N166 PolarHBondContact O-ND2 3.48Å |
| 163 | Q | 67.1 | Low | 60.4 | Low | 120 Ų | 120 | 104.5 Ų | 104.5 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.4 | -40 | 172.9 | -72.7 | -178.4 | 37.1 | 0 | 0 | 112.3 | I159 S160 K161 N166 K167 | I159-Q163 WeakPolarHBondContact O-CG 3.37Å; I159-Q163 PolarHBondContact O-N 3.31Å; S160-Q163 PolarHBondContact O-N 2.94Å; S160-Q163 VanDerWaalsContact O-N 3.12Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.38Å; Q163-N166 PolarHBondContact O-N 3.01Å; Q163-K167 PolarHBondContact O-N 2.99Å; Q163-K167 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 70.3 | Confident | 61.1 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -49 | 177.6 | -143.4 | 83.8 | 0 | 0 | 0 | 111.6 | S160 K161 N166 K167 E168 | S160-L164 PolarHBondContact O-N 2.68Å; K161-L164 PolarHBondContact O-N 3.18Å; L164-N166 VanDerWaalsContact C-N 3.27Å; L164-N166 PolarHBondContact O-N 3.11Å; L164-K167 WeakPolarHBondContact O-CA 3.35Å; L164-K167 WeakPolarHBondContact O-CB 3.36Å; L164-K167 PolarHBondContact O-N 3.1Å; L164-E168 PolarHBondContact O-N 2.86Å |
| 165 | I | 69.5 | Low | 61.9 | Low | 80 Ų | 80 | 96.5 Ų | 96.5 | 41% | 0.41 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 176.9 | -67.6 | 162.7 | 0 | 0 | 0 | 110.9 | K161 K167 E168 I169 | K161-I165 WeakPolarHBondContact O-CD1 3.47Å; K161-I165 VanDerWaalsContact O-CG1 3.26Å; K161-I165 WeakPolarHBondContact O-CG1 3.37Å; K161-I165 PolarHBondContact O-N 3.47Å; I165-K167 VanDerWaalsContact C-N 3.35Å; I165-K167 PolarHBondContact O-N 2.95Å; I165-E168 PolarHBondContact O-N 2.92Å; I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.3Å |
| 166 | N | 58.5 | Low | 62.5 | Low | 95 Ų | 95 | 95 Ų | 95 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -30.4 | 176.2 | -78.6 | -60.8 | 0 | 0 | 0 | 112.9 | N162 Q163 L164 N170 | N162-N166 WeakPolarHBondContact O-CB 3.4Å; N162-N166 PolarHBondContact O-N 3.45Å; N162-N166 VanDerWaalsContact O-N 3.12Å; N162-N166 PolarHBondContact O-ND2 3.48Å; Q163-N166 PolarHBondContact O-N 3.01Å; L164-N166 VanDerWaalsContact C-N 3.27Å; L164-N166 PolarHBondContact O-N 3.11Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 2.94Å; N166-N170 PolarHBondContact O-ND2 3.24Å |
| 167 | K | 71.9 | Confident | 62.9 | Low | 131 Ų | 131 | 93.5 Ų | 93.5 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.2 | -50.3 | 171.6 | -73.7 | -179 | 175.7 | -174.7 | 0 | 111 | Q163 L164 I165 I169 N170 E171 | Q163-K167 PolarHBondContact O-N 2.99Å; Q163-K167 VanDerWaalsContact O-N 3.08Å; L164-K167 WeakPolarHBondContact O-CA 3.35Å; L164-K167 WeakPolarHBondContact O-CB 3.36Å; L164-K167 PolarHBondContact O-N 3.1Å; I165-K167 VanDerWaalsContact C-N 3.35Å; I165-K167 PolarHBondContact O-N 2.95Å; K167-I169 VanDerWaalsContact C-N 3.34Å; K167-I169 PolarHBondContact O-N 3.42Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 3.4Å; K167-E171 PolarHBondContact O-N 2.98Å |
| 168 | E | 66.9 | Low | 62.9 | Low | 115 Ų | 115 | 95 Ų | 95 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | -177.7 | -169.2 | 172.5 | -159.9 | 0 | 0 | 112.6 | L164 I165 N172 | L164-E168 PolarHBondContact O-N 2.86Å; I165-E168 PolarHBondContact O-N 2.92Å; E168-N172 WeakPolarHBondContact O-CB 3.44Å; E168-N172 PolarHBondContact O-N 3.22Å; E168-N172 VanDerWaalsContact O-N 3.08Å; E168-N172 PolarHBondContact O-ND2 3.35Å |
| 169 | I | 69.8 | Low | 62.7 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 172.1 | -71 | 169.3 | 0 | 0 | 0 | 111.4 | I165 K167 I173 | I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.3Å; K167-I169 VanDerWaalsContact C-N 3.34Å; K167-I169 PolarHBondContact O-N 3.42Å; I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.5Å; I169-I173 WeakPolarHBondContact O-CD1 3.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 3.02Å; I169-I173 VanDerWaalsContact O-N 3.12Å |
| 170 | N | 62.7 | Low | 62.3 | Low | 64 Ų | 64 | 99 Ų | 99 | 34% | 0.342 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 179.3 | -73.8 | -41 | 0 | 0 | 0 | 112 | N166 K167 I173 D174 | N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 2.94Å; N166-N170 PolarHBondContact O-ND2 3.24Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 3.4Å; N170-I173 PolarHBondContact O-N 3.08Å; N170-D174 PolarHBondContact O-N 3.31Å |
| 171 | E | 65.9 | Low | 61.8 | Low | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 178 | -72.1 | 174.2 | -163.3 | 0 | 0 | 112.5 | K167 D174 S175 | K167-E171 PolarHBondContact O-N 2.98Å; E171-D174 PolarHBondContact O-N 3.07Å; E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.16Å; E171-S175 PolarHBondContact O-OG 3.08Å |
| 172 | N | 64 | Low | 61.2 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 173.8 | -80.5 | -63.6 | 0 | 0 | 0 | 112.3 | E168 S175 L176 | E168-N172 WeakPolarHBondContact O-CB 3.44Å; E168-N172 PolarHBondContact O-N 3.22Å; E168-N172 VanDerWaalsContact O-N 3.08Å; E168-N172 PolarHBondContact O-ND2 3.35Å; N172-S175 PolarHBondContact O-N 2.95Å; N172-L176 WeakPolarHBondContact O-CG 3.29Å; N172-L176 PolarHBondContact O-N 3.45Å |
| 173 | I | 66 | Low | 60.7 | Low | 73 Ų | 73 | 105 Ų | 105 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.4 | -72.8 | 167.7 | 0 | 0 | 0 | 110.7 | I169 N170 S175 L176 N177 | I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.5Å; I169-I173 WeakPolarHBondContact O-CD1 3.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 3.02Å; I169-I173 VanDerWaalsContact O-N 3.12Å; N170-I173 PolarHBondContact O-N 3.08Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.68Å; I173-L176 PolarHBondContact O-N 2.93Å; I173-N177 WeakPolarHBondContact CG2-ND2 3.41Å; I173-N177 PolarHBondContact O-N 3.03Å; I173-N177 VanDerWaalsContact O-N 3.11Å; I173-N177 PolarHBondContact O-ND2 3.13Å |
| 174 | D | 61 | Low | 59.9 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 40% | 0.401 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | -179.2 | -72.3 | -8.8 | 0 | 0 | 0 | 112.4 | N170 E171 T178 K220 | N170-D174 PolarHBondContact O-N 3.31Å; E171-D174 PolarHBondContact O-N 3.07Å; D174-T178 PolarHBondContact O-OG1 2.96Å; D174-K220 IonicContact OD1-NZ 3.68Å; D174-K220 PolarHBondContact OD1-NZ 3.38Å; D174-K220 IonicContact OD2-NZ 2.72Å |
| 175 | S | 63.6 | Low | 58.8 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -45.9 | 172 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | E171 N172 I173 T178 | E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.16Å; E171-S175 PolarHBondContact O-OG 3.08Å; N172-S175 PolarHBondContact O-N 2.95Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.68Å; S175-T178 WeakPolarHBondContact O-CB 3.3Å; S175-T178 PolarHBondContact O-N 3.09Å |
| 176 | L | 59.7 | Low | 57.7 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 179.9 | -72 | 170.6 | 0 | 0 | 0 | 112.7 | N172 I173 T178 I179 E180 | N172-L176 WeakPolarHBondContact O-CG 3.29Å; N172-L176 PolarHBondContact O-N 3.45Å; I173-L176 PolarHBondContact O-N 2.93Å; L176-T178 PolarHBondContact O-N 3.38Å; L176-T178 VanDerWaalsContact O-N 3.12Å; L176-I179 PolarHBondContact O-N 3.4Å; L176-E180 PolarHBondContact O-N 2.91Å |
| 177 | N | 51.4 | Low | 57.5 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.2 | -20.9 | 177.1 | -75.7 | -71 | 0 | 0 | 0 | 113.4 | I173 | I173-N177 WeakPolarHBondContact CG2-ND2 3.41Å; I173-N177 PolarHBondContact O-N 3.03Å; I173-N177 VanDerWaalsContact O-N 3.11Å; I173-N177 PolarHBondContact O-ND2 3.13Å |
| 178 | T | 54.3 | Low | 56.3 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.6 | -26.2 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | D174 S175 L176 T181 | D174-T178 PolarHBondContact O-OG1 2.96Å; S175-T178 WeakPolarHBondContact O-CB 3.3Å; S175-T178 PolarHBondContact O-N 3.09Å; L176-T178 PolarHBondContact O-N 3.38Å; L176-T178 VanDerWaalsContact O-N 3.12Å; T178-T181 PolarHBondContact O-OG1 3.12Å |
| 179 | I | 53.5 | Low | 55.6 | Low | 104 Ų | 104 | 118.3 Ų | 118.3 | 53% | 0.533 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -85.4 | -37.7 | -176.1 | -62.6 | 169.1 | 0 | 0 | 0 | 111.4 | L176 T181 K182 | L176-I179 PolarHBondContact O-N 3.4Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.07Å; I179-K182 PolarHBondContact O-N 2.91Å |
| 180 | E | 47.3 | Very low | 55 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -11.7 | -176 | -67.4 | -174.7 | 171.7 | 0 | 0 | 114.7 | L176 | L176-E180 PolarHBondContact O-N 2.91Š|
| 181 | T | 52.1 | Low | 54.3 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 0.1 | -178.4 | 58.8 | 0 | 0 | 0 | 0 | 115.3 | T178 I179 | T178-T181 PolarHBondContact O-OG1 3.12Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.07Å |
| 182 | K | 53.2 | Low | 53.7 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118.2 | -3.1 | -172.9 | -67.9 | -173.4 | 178.7 | 179.7 | 0 | 116.6 | I179 | I179-K182 PolarHBondContact O-N 2.91Š|
| 183 | N | 46.1 | Very low | 53.2 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -108.9 | 43.3 | -169.3 | -70.2 | -10.6 | 0 | 0 | 0 | 114.7 | ||||
| 184 | H | 49.7 | Very low | 52.3 | Low | 169 Ų | 169 | 129.2 Ų | 129.2 | 78% | 0.782 | 68% | 0.683 | S | S | * | * | trans | -136.9 | 130.4 | 171.8 | -147.1 | -44.7 | 0 | 0 | 0 | 111.7 | ||||
| 185 | L | 47.5 | Very low | 52.1 | Low | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | trans | 82.7 | 90.3 | 176.6 | -53.6 | 164.1 | 0 | 0 | 0 | 116.1 | ||||
| 186 | N | 45.9 | Very low | 51.7 | Low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | -160.1 | 79.4 | 146.3 | -98.6 | -20.2 | 0 | 0 | 0 | 110.2 | ||||
| 187 | H | 54.4 | Low | 51.7 | Low | 148 Ų | 148 | 136.3 Ų | 136.3 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | -161.8 | 104.8 | 156.7 | -138.6 | -64.9 | 0 | 0 | 0 | 110.7 | F189 | H187-F189 AromaticContact CE1-CD2 3.89Å; H187-F189 AromaticContact CE1-CE2 3.29Å; H187-F189 WeakPolarHBondContact CE1-CE2 3.37Å; H187-F189 AromaticContact CE1-CZ 3.59Å; H187-F189 AromaticContact ND1-CD2 3.53Å; H187-F189 AromaticContact ND1-CE2 3.36Å; H187-F189 WeakPolarHBondContact ND1-CE2 3.34Å | ||
| 188 | P | 47.5 | Very low | 52.1 | Low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -98.9 | 115.3 | 164 | 2.7 | 18.1 | 0 | 0 | 0 | 109.6 | ||||
| 189 | F | 52.6 | Low | 52.2 | Low | 182 Ų | 182 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -88.9 | 131.4 | 157 | -81.5 | -83.1 | 0 | 0 | 0 | 108.2 | H187 | H187-F189 AromaticContact CE1-CD2 3.89Å; H187-F189 AromaticContact CE1-CE2 3.29Å; H187-F189 WeakPolarHBondContact CE1-CE2 3.37Å; H187-F189 AromaticContact CE1-CZ 3.59Å; H187-F189 AromaticContact ND1-CD2 3.53Å; H187-F189 AromaticContact ND1-CE2 3.36Å; H187-F189 WeakPolarHBondContact ND1-CE2 3.34Å | ||
| 190 | P | 56.2 | Low | 52.7 | Low | 90 Ų | 90 | 146.8 Ų | 146.8 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | trans | -98.2 | 164.4 | -176.6 | 36.7 | -33.6 | 0 | 0 | 0 | 114 | ||||
| 191 | Y | 47.9 | Very low | 53.3 | Low | 205 Ų | 205 | 144.9 Ų | 144.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 71.4 | 132.5 | 174.7 | -50.1 | -73.2 | 0 | 0 | 0 | 114.6 | ||||
| 192 | D | 53 | Low | 53.7 | Low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -150.8 | 176.2 | 6.6 | -98.2 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 193 | S | 54.9 | Low | 54.1 | Low | 109 Ų | 109 | 150.1 Ų | 150.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 92.5 | 99.1 | 169.4 | -53 | 0 | 0 | 0 | 0 | 118.4 | L195 | S193-L195 PolarHBondContact O-N 3.43Š| ||
| 194 | P | 47.1 | Very low | 54.6 | Low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 84.7 | 173.3 | 35.9 | -32.1 | 0 | 0 | 0 | 112.6 | ||||
| 195 | L | 56.3 | Low | 55.8 | Low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -92.8 | 109.5 | 154.2 | -72.8 | -179.3 | 0 | 0 | 0 | 108.4 | S193 P197 | S193-L195 PolarHBondContact O-N 3.43Å; L195-P197 WeakPolarHBondContact O-CD 3.38Å; L195-P197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | T | 54.9 | Low | 57.1 | Low | 126 Ų | 126 | 147.6 Ų | 147.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -60.9 | 112.2 | -173.8 | 50 | 0 | 0 | 0 | 0 | 111.6 | V198 | T196-V198 PolarHBondContact O-N 3.45Š| ||
| 197 | P | 60.9 | Low | 58.1 | Low | 112 Ų | 112 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -74 | 120.1 | 166.3 | 0.2 | 17.8 | 0 | 0 | 0 | 106.6 | L195 K199 | L195-P197 WeakPolarHBondContact O-CD 3.38Å; L195-P197 VanDerWaalsContact O-N 3.16Å; P197-K199 PolarHBondContact O-N 3.46Å | ||
| 198 | V | 58.6 | Low | 59 | Low | 132 Ų | 132 | 150.9 Ų | 150.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -50.8 | 111.3 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | T196 Q200 | T196-V198 PolarHBondContact O-N 3.45Å; V198-Q200 PolarHBondContact O-N 3.41Å | ||
| 199 | K | 57.5 | Low | 60.5 | Low | 201 Ų | 201 | 154.2 Ų | 154.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 84.3 | -178.7 | -74.4 | 178.2 | 179.6 | 169.2 | 0 | 108.6 | P197 P201 | P197-K199 PolarHBondContact O-N 3.46Å; K199-P201 VanDerWaalsContact O-N 3.17Å | ||
| 200 | Q | 62.6 | Low | 61.7 | Low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -53.7 | 126 | 167.7 | -72.2 | -158.2 | -0.8 | 0 | 0 | 107.6 | V198 K202 | V198-Q200 PolarHBondContact O-N 3.41Å; Q200-K202 PolarHBondContact O-N 3.22Å | ||
| 201 | P | 60.1 | Low | 62.9 | Low | 113 Ų | 113 | 150.4 Ų | 150.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -64.5 | 104.7 | -179.7 | 25.2 | -32.4 | 0 | 0 | 0 | 107.3 | K199 K203 | K199-P201 VanDerWaalsContact O-N 3.17Å; P201-K203 VanDerWaalsContact C-N 3.32Å; P201-K203 PolarHBondContact O-N 3.09Å | ||
| 202 | K | 62 | Low | 64.9 | Low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -52.9 | 102.4 | 169.9 | -69.8 | -173.7 | 178.4 | -176.5 | 0 | 106.2 | Q200 R204 | Q200-K202 PolarHBondContact O-N 3.22Å; K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.03Å | ||
| 203 | K | 60.3 | Low | 66.7 | Low | 204 Ų | 204 | 146.7 Ų | 146.7 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -59.2 | 96.8 | -179.2 | -76.6 | -175.3 | 178 | 178.5 | 0 | 106.9 | P201 G205 | P201-K203 VanDerWaalsContact C-N 3.32Å; P201-K203 PolarHBondContact O-N 3.09Å; K203-G205 PolarHBondContact O-N 3.48Å | ||
| 204 | R | 57.2 | Low | 68.5 | Low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 89.2 | 178 | -73.5 | 177.4 | 174 | 175.4 | -2.4 | 106.2 | K202 | K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.03Å | ||
| 205 | G | 73.6 | Confident | 70.6 | Confident | 53 Ų | 53 | 150 Ų | 150 | 55% | 0.546 | 75% | 0.749 | S | S | . | * | trans | -50.4 | 151.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K203 K207 | K203-G205 PolarHBondContact O-N 3.48Å; G205-K207 PolarHBondContact O-N 3.06Å | ||
| 206 | P | 75.6 | Confident | 72.4 | Confident | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | trans | -45.4 | 118.2 | -171.6 | -30.2 | 35 | 0 | 0 | 0 | 111.2 | K208 | P206-K208 PolarHBondContact O-N 3.46Š| ||
| 207 | K | 66.8 | Low | 74.3 | Confident | 178 Ų | 178 | 143.1 Ų | 143.1 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | trans | -51.7 | 112.1 | 179.8 | -78.1 | -175 | 176.9 | -178.7 | 0 | 107.2 | G205 K209 | G205-K207 PolarHBondContact O-N 3.06Å; K207-K209 PolarHBondContact O-N 3.36Å | ||
| 208 | K | 73.7 | Confident | 75.9 | Confident | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 70% | 0.701 | S | S | * | * | trans | -57.4 | 108.9 | 176.5 | -69.5 | -179 | 179.8 | 176.9 | 0 | 106.5 | P206 | P206-K208 PolarHBondContact O-N 3.46Š| ||
| 209 | K | 78.4 | Confident | 77.6 | Confident | 189 Ų | 189 | 143.7 Ų | 143.7 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 134.5 | 175.7 | -65.6 | -175.5 | 179.8 | -176.9 | 0 | 107.1 | K207 L211 | K207-K209 PolarHBondContact O-N 3.36Å; K209-L211 PolarHBondContact O-N 3.48Å |
| 210 | P | 79 | Confident | 79.4 | Confident | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.6 | 176.9 | 23.4 | -33.1 | 0 | 0 | 0 | 108.8 | ||
| 211 | L | 81.2 | Confident | 81 | Confident | 67 Ų | 67 | 134.1 Ų | 134.1 | 35% | 0.351 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 139.8 | 178.4 | -66.2 | 165.8 | 0 | 0 | 0 | 107.8 | K209 R215 E216 | K209-L211 PolarHBondContact O-N 3.48Å; L211-R215 HydrophobicContact CD2-CG 4.05Å; L211-E216 HydrophobicContact CB-CG 3.49Å; L211-E216 VanDerWaalsContact CB-CG 3.49Å; L211-E216 HydrophobicContact CD1-CG 4.15Å; L211-E216 HydrophobicContact CG-CG 4.47Å |
| 212 | T | 90 | Very high | 82.8 | Confident | 91 Ų | 91 | 136.5 Ų | 136.5 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 144.1 | 169.3 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | E214 R215 E216 | T212-E214 PolarHBondContact O-N 3.14Å; T212-E214 VanDerWaalsContact O-N 3.09Å; T212-R215 WeakPolarHBondContact O-CA 3.41Å; T212-R215 WeakPolarHBondContact O-CB 3.3Å; T212-R215 PolarHBondContact O-N 3.18Å; T212-R215 WeakPolarHBondContact OG1-CB 3.42Å; T212-E216 PolarHBondContact O-N 3.43Å |
| 213 | K | 90.3 | Very high | 84.5 | Confident | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.8 | -38.7 | -179.8 | -67.3 | -174.8 | 177.1 | -176.1 | 0 | 112.3 | E216 T217 | K213-E216 WeakPolarHBondContact O-CB 3.16Å; K213-E216 PolarHBondContact O-N 3.04Å; K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 3.06Å; K213-T217 PolarHBondContact O-OG1 3.4Å |
| 214 | E | 92 | Very high | 86.2 | Confident | 142 Ų | 142 | 130.2 Ų | 130.2 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.9 | -40.1 | 173.6 | -166.7 | -149.9 | 146.3 | 0 | 0 | 113.4 | T212 E216 T217 R218 | T212-E214 PolarHBondContact O-N 3.14Å; T212-E214 VanDerWaalsContact O-N 3.09Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-T217 PolarHBondContact O-OG1 3.03Å; E214-R218 VanDerWaalsContact O-CB 3.23Å; E214-R218 WeakPolarHBondContact O-CB 3.32Å; E214-R218 PolarHBondContact O-N 3.46Å |
| 215 | R | 92.5 | Very high | 88.1 | Confident | 163 Ų | 163 | 128.6 Ų | 128.6 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.2 | -33.4 | 176.5 | -171.7 | 173.1 | 177.3 | -166.6 | 2.3 | 111.4 | L211 T212 L219 | L211-R215 HydrophobicContact CD2-CG 4.05Å; T212-R215 WeakPolarHBondContact O-CA 3.41Å; T212-R215 WeakPolarHBondContact O-CB 3.3Å; T212-R215 PolarHBondContact O-N 3.18Å; T212-R215 WeakPolarHBondContact OG1-CB 3.42Å; R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 3.03Å |
| 216 | E | 93.3 | Very high | 89.3 | Confident | 79 Ų | 79 | 127.8 Ų | 127.8 | 37% | 0.369 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -48.5 | 172.9 | -62.7 | -177.2 | 160 | 0 | 0 | 111.8 | L211 T212 K213 E214 R218 L219 K220 | L211-E216 HydrophobicContact CB-CG 3.49Å; L211-E216 VanDerWaalsContact CB-CG 3.49Å; L211-E216 HydrophobicContact CD1-CG 4.15Å; L211-E216 HydrophobicContact CG-CG 4.47Å; T212-E216 PolarHBondContact O-N 3.43Å; K213-E216 WeakPolarHBondContact O-CB 3.16Å; K213-E216 PolarHBondContact O-N 3.04Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E216-R218 VanDerWaalsContact C-N 3.35Å; E216-R218 PolarHBondContact O-N 3.39Å; E216-L219 PolarHBondContact O-N 3.07Å; E216-L219 VanDerWaalsContact O-N 3.14Å; E216-K220 WeakPolarHBondContact O-CG 3.36Å; E216-K220 PolarHBondContact O-N 3.34Å |
| 217 | T | 94.6 | Very high | 90.4 | Very high | 65 Ų | 65 | 125 Ų | 125 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 176 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | K213 E214 L219 K220 N221 | K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 3.06Å; K213-T217 PolarHBondContact O-OG1 3.4Å; E214-T217 PolarHBondContact O-OG1 3.03Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.08Å; T217-K220 PolarHBondContact O-N 3.43Å; T217-N221 WeakPolarHBondContact O-CB 3.27Å; T217-N221 VanDerWaalsContact O-CG 3.22Å; T217-N221 PolarHBondContact O-N 2.76Å; T217-N221 PolarHBondContact O-ND2 3.2Å |
| 218 | R | 94.7 | Very high | 91.9 | Very high | 151 Ų | 151 | 119 Ų | 119 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.6 | -36.2 | 173.4 | -166.1 | 174.4 | -171.4 | -167.4 | 1.6 | 112.3 | E214 E216 R222 | E214-R218 VanDerWaalsContact O-CB 3.23Å; E214-R218 WeakPolarHBondContact O-CB 3.32Å; E214-R218 PolarHBondContact O-N 3.46Å; E216-R218 VanDerWaalsContact C-N 3.35Å; E216-R218 PolarHBondContact O-N 3.39Å; R218-R222 VanDerWaalsContact O-CG 3.31Å; R218-R222 WeakPolarHBondContact O-CG 3.35Å; R218-R222 PolarHBondContact O-N 3.16Å |
| 219 | L | 94.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 116.7 Ų | 116.7 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.4 | -44.2 | 175.4 | -175.8 | 60.3 | 0 | 0 | 0 | 112.1 | R215 E216 T217 N221 R222 R223 | R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 3.03Å; E216-L219 PolarHBondContact O-N 3.07Å; E216-L219 VanDerWaalsContact O-N 3.14Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.08Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-N221 PolarHBondContact O-N 3.08Å; L219-R222 PolarHBondContact O-N 3.1Å; L219-R223 PolarHBondContact O-N 3.28Å |
| 220 | K | 95.6 | Very high | 94 | Very high | 68 Ų | 68 | 111.5 Ų | 111.5 | 30% | 0.296 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -54.5 | -49.8 | 171.9 | -72 | 173.5 | -178.9 | 172.7 | 0 | 110.5 | D174 E216 T217 R222 R223 I224 | D174-K220 IonicContact OD1-NZ 3.68Å; D174-K220 PolarHBondContact OD1-NZ 3.38Å; D174-K220 IonicContact OD2-NZ 2.72Å; E216-K220 WeakPolarHBondContact O-CG 3.36Å; E216-K220 PolarHBondContact O-N 3.34Å; T217-K220 PolarHBondContact O-N 3.43Å; K220-R222 PolarHBondContact O-N 3.02Å; K220-R223 WeakPolarHBondContact O-CB 3.39Å; K220-R223 PolarHBondContact O-N 2.96Å; K220-R223 VanDerWaalsContact O-N 3.12Å; K220-I224 WeakPolarHBondContact O-CG1 3.2Å; K220-I224 PolarHBondContact O-N 3.02Å |
| 221 | N | 95.9 | Very high | 95 | Very high | 100 Ų | 100 | 113.2 Ų | 113.2 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 178.2 | -72.6 | -16.8 | 0 | 0 | 0 | 113.1 | T217 L219 I224 R225 | T217-N221 WeakPolarHBondContact O-CB 3.27Å; T217-N221 VanDerWaalsContact O-CG 3.22Å; T217-N221 PolarHBondContact O-N 2.76Å; T217-N221 PolarHBondContact O-ND2 3.2Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-N221 PolarHBondContact O-N 3.08Å; N221-I224 PolarHBondContact O-N 2.85Å; N221-R225 WeakPolarHBondContact O-CB 3.42Å; N221-R225 PolarHBondContact O-N 3.1Å |
| 222 | R | 97.4 | Very high | 95.8 | Very high | 162 Ų | 162 | 113.9 Ų | 113.9 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 172.8 | -77.8 | 175.9 | 177.7 | -144.9 | 0.2 | 111.8 | R218 L219 K220 R225 A226 | R218-R222 VanDerWaalsContact O-CG 3.31Å; R218-R222 WeakPolarHBondContact O-CG 3.35Å; R218-R222 PolarHBondContact O-N 3.16Å; L219-R222 PolarHBondContact O-N 3.1Å; K220-R222 PolarHBondContact O-N 3.02Å; R222-R225 PolarHBondContact O-N 3.29Å; R222-A226 WeakPolarHBondContact O-CB 3.22Å; R222-A226 PolarHBondContact O-N 3.16Å |
| 223 | R | 97.1 | Very high | 96.2 | Very high | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 177 | -169.1 | 177.3 | -176.1 | -176.5 | -0.2 | 111.8 | L219 K220 R225 A226 N227 | L219-R223 PolarHBondContact O-N 3.28Å; K220-R223 WeakPolarHBondContact O-CB 3.39Å; K220-R223 PolarHBondContact O-N 2.96Å; K220-R223 VanDerWaalsContact O-N 3.12Å; R223-R225 PolarHBondContact O-N 2.96Å; R223-A226 PolarHBondContact O-N 3.36Å; R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.86Å; R223-N227 PolarHBondContact O-OD1 2.9Å |
| 224 | I | 97.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 111.4 Ų | 111.4 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.7 | -67.1 | 164.2 | 0 | 0 | 0 | 110.7 | K220 N221 A226 N227 A228 | K220-I224 WeakPolarHBondContact O-CG1 3.2Å; K220-I224 PolarHBondContact O-N 3.02Å; N221-I224 PolarHBondContact O-N 2.85Å; I224-A226 VanDerWaalsContact C-N 3.35Å; I224-A226 PolarHBondContact O-N 3.32Å; I224-N227 PolarHBondContact O-N 3.1Å; I224-A228 PolarHBondContact O-N 3.46Å |
| 225 | R | 97.1 | Very high | 96.9 | Very high | 184 Ų | 184 | 110.9 Ų | 110.9 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -37.4 | 177.8 | -168.3 | -177.5 | -71.7 | -176 | -3.6 | 112.4 | N221 R222 R223 A228 R229 | N221-R225 WeakPolarHBondContact O-CB 3.42Å; N221-R225 PolarHBondContact O-N 3.1Å; R222-R225 PolarHBondContact O-N 3.29Å; R223-R225 PolarHBondContact O-N 2.96Å; R225-A228 PolarHBondContact O-N 3.37Å; R225-R229 PolarHBondContact O-N 3.36Å |
| 226 | A | 97.9 | Very high | 97.1 | Very high | 36 Ų | 36 | 105.2 Ų | 105.2 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | R222 R223 I224 A228 R229 E230 | R222-A226 WeakPolarHBondContact O-CB 3.22Å; R222-A226 PolarHBondContact O-N 3.16Å; R223-A226 PolarHBondContact O-N 3.36Å; I224-A226 VanDerWaalsContact C-N 3.35Å; I224-A226 PolarHBondContact O-N 3.32Å; A226-A228 VanDerWaalsContact C-N 3.29Å; A226-A228 PolarHBondContact O-N 2.92Å; A226-R229 PolarHBondContact O-N 3.39Å; A226-R229 VanDerWaalsContact O-N 3.15Å; A226-E230 PolarHBondContact O-N 3.34Å |
| 227 | N | 98.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 106 Ų | 106 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 176.3 | -67.4 | -4.5 | 0 | 0 | 0 | 112.1 | R223 I224 E230 R231 | R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.86Å; R223-N227 PolarHBondContact O-OD1 2.9Å; I224-N227 PolarHBondContact O-N 3.1Å; N227-E230 PolarHBondContact O-N 2.83Å; N227-R231 WeakPolarHBondContact O-CG 3.31Å; N227-R231 PolarHBondContact O-N 2.6Å |
| 228 | A | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 106 Ų | 106 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I224 R225 A226 S232 | I224-A228 PolarHBondContact O-N 3.46Å; R225-A228 PolarHBondContact O-N 3.37Å; A226-A228 VanDerWaalsContact C-N 3.29Å; A226-A228 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-N 2.91Å; A228-S232 VanDerWaalsContact O-N 3.13Å |
| 229 | R | 98.4 | Very high | 97.7 | Very high | 155 Ų | 155 | 104.7 Ų | 104.7 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -45 | 174.3 | -69.8 | -168.3 | -53.6 | -94.3 | 0.8 | 112.2 | R225 A226 R231 S232 R233 | R225-R229 PolarHBondContact O-N 3.36Å; A226-R229 PolarHBondContact O-N 3.39Å; A226-R229 VanDerWaalsContact O-N 3.15Å; R229-R231 VanDerWaalsContact C-N 3.34Å; R229-R231 PolarHBondContact O-N 3.38Å; R229-S232 WeakPolarHBondContact O-CB 3.42Å; R229-S232 PolarHBondContact O-N 3.44Å; R229-S232 VanDerWaalsContact O-N 3.12Å; R229-R233 PolarHBondContact O-N 3.15Å |
| 230 | E | 98.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | -179.5 | -176 | 56.4 | -162.8 | 0 | 0 | 112.1 | A226 N227 S232 R233 M234 | A226-E230 PolarHBondContact O-N 3.34Å; N227-E230 PolarHBondContact O-N 2.83Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.38Å; E230-R233 PolarHBondContact O-N 3.5Å; E230-R233 IonicContact OE1-CZ 3.85Å; E230-R233 IonicContact OE1-NE 2.8Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH2 2.57Å; E230-R233 PolarHBondContact OE1-NH2 3.07Å; E230-R233 IonicContact OE2-CZ 3.18Å; E230-R233 IonicContact OE2-NE 3.38Å; E230-R233 PolarHBondContact OE2-NE 2.9Å; E230-R233 IonicContact OE2-NH2 3.17Å; E230-M234 HydrophobicContact CG-CG 4.45Å; E230-M234 WeakPolarHBondContact O-CB 3.47Å; E230-M234 VanDerWaalsContact O-CG 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.41Å; E230-M234 PolarHBondContact O-N 2.77Å |
| 231 | R | 98.5 | Very high | 97.9 | Very high | 160 Ų | 160 | 100.1 Ų | 100.1 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58 | -47 | 169.4 | -72.6 | 177.2 | -172.6 | 130.8 | -4.1 | 111.5 | N227 R229 R233 M234 H235 | N227-R231 WeakPolarHBondContact O-CG 3.31Å; N227-R231 PolarHBondContact O-N 2.6Å; R229-R231 VanDerWaalsContact C-N 3.34Å; R229-R231 PolarHBondContact O-N 3.38Å; R231-R233 PolarHBondContact O-N 3.48Å; R231-M234 PolarHBondContact O-N 3.3Å; R231-H235 PolarHBondContact O-CD2 3.47Å; R231-H235 PolarHBondContact O-N 2.97Å |
| 232 | S | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 97.6 Ų | 97.6 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.4 | -46.2 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | A228 R229 E230 M234 H235 G236 | A228-S232 PolarHBondContact O-N 2.91Å; A228-S232 VanDerWaalsContact O-N 3.13Å; R229-S232 WeakPolarHBondContact O-CB 3.42Å; R229-S232 PolarHBondContact O-N 3.44Å; R229-S232 VanDerWaalsContact O-N 3.12Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.38Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 2.84Å; S232-H235 PolarHBondContact O-N 3.29Å; S232-G236 PolarHBondContact O-N 3.22Å |
| 233 | R | 98.6 | Very high | 97.8 | Very high | 156 Ų | 156 | 93.5 Ų | 93.5 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.9 | -45.1 | 175.2 | -163.8 | -176.7 | 76.3 | 96.6 | 5 | 111.9 | R229 E230 R231 G236 L237 | R229-R233 PolarHBondContact O-N 3.15Å; E230-R233 PolarHBondContact O-N 3.5Å; E230-R233 IonicContact OE1-CZ 3.85Å; E230-R233 IonicContact OE1-NE 2.8Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH2 2.57Å; E230-R233 PolarHBondContact OE1-NH2 3.07Å; E230-R233 IonicContact OE2-CZ 3.18Å; E230-R233 IonicContact OE2-NE 3.38Å; E230-R233 PolarHBondContact OE2-NE 2.9Å; E230-R233 IonicContact OE2-NH2 3.17Å; R231-R233 PolarHBondContact O-N 3.48Å; R233-G236 PolarHBondContact O-N 3.4Å; R233-L237 PolarHBondContact O-N 2.94Å |
| 234 | M | 98.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 87.5 Ų | 87.5 | 30% | 0.3 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.1 | -30.7 | 177.9 | -70.5 | -58.1 | -62 | 0 | 0 | 113.3 | E230 R231 S232 L237 N238 | E230-M234 HydrophobicContact CG-CG 4.45Å; E230-M234 WeakPolarHBondContact O-CB 3.47Å; E230-M234 VanDerWaalsContact O-CG 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.41Å; E230-M234 PolarHBondContact O-N 2.77Å; R231-M234 PolarHBondContact O-N 3.3Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 2.84Å; M234-L237 HydrophobicContact CE-CD2 4.09Å; M234-L237 HydrophobicContact SD-CD2 4.06Å; M234-N238 WeakPolarHBondContact O-CB 3.39Å; M234-N238 PolarHBondContact O-N 3.4Å; M234-N238 PolarHBondContact O-ND2 2.74Å |
| 235 | H | 98.3 | Very high | 97.8 | Very high | 131 Ų | 131 | 84.7 Ų | 84.7 | 61% | 0.606 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.2 | -44 | 170.4 | -71.6 | -60.5 | 0 | 0 | 0 | 111.3 | R231 S232 N238 H239 | R231-H235 PolarHBondContact O-CD2 3.47Å; R231-H235 PolarHBondContact O-N 2.97Å; S232-H235 PolarHBondContact O-N 3.29Å; H235-N238 PolarHBondContact O-N 2.99Å; H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 2.92Å |
| 236 | G | 97.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S232 R233 H239 A240 | S232-G236 PolarHBondContact O-N 3.22Å; R233-G236 PolarHBondContact O-N 3.4Å; G236-H239 WeakPolarHBondContact O-CB 3.22Å; G236-H239 PolarHBondContact O-N 2.72Å; G236-A240 PolarHBondContact O-N 3.49Å |
| 237 | L | 98.2 | Very high | 97.4 | Very high | 96 Ų | 96 | 85.1 Ų | 85.1 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -177.5 | 65.5 | 0 | 0 | 0 | 112.6 | R233 M234 H239 A240 L241 | R233-L237 PolarHBondContact O-N 2.94Å; M234-L237 HydrophobicContact CE-CD2 4.09Å; M234-L237 HydrophobicContact SD-CD2 4.06Å; L237-H239 VanDerWaalsContact C-N 3.31Å; L237-H239 PolarHBondContact O-N 3.47Å; L237-A240 PolarHBondContact O-N 3.38Å; L237-L241 PolarHBondContact O-N 3.15Å |
| 238 | N | 98 | Very high | 97.1 | Very high | 63 Ų | 63 | 81.9 Ų | 81.9 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 177.5 | -71.1 | -36.1 | 0 | 0 | 0 | 112 | M234 H235 E242 K259 | M234-N238 WeakPolarHBondContact O-CB 3.39Å; M234-N238 PolarHBondContact O-N 3.4Å; M234-N238 PolarHBondContact O-ND2 2.74Å; H235-N238 PolarHBondContact O-N 2.99Å; N238-E242 PolarHBondContact O-N 3.3Å; N238-E242 VanDerWaalsContact O-N 3.11Å; N238-K259 PolarHBondContact OD1-NZ 3.23Å |
| 239 | H | 97.8 | Very high | 96.6 | Very high | 125 Ų | 125 | 80.9 Ų | 80.9 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.5 | -47.1 | 173 | -178.6 | -95.3 | 0 | 0 | 0 | 111.5 | H235 G236 L237 L241 E242 L243 | H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 2.92Å; G236-H239 WeakPolarHBondContact O-CB 3.22Å; G236-H239 PolarHBondContact O-N 2.72Å; L237-H239 VanDerWaalsContact C-N 3.31Å; L237-H239 PolarHBondContact O-N 3.47Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3Å; H239-E242 PolarHBondContact O-N 3.06Å; H239-L243 PolarHBondContact O-N 2.96Å |
| 240 | A | 98.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 73.8 Ų | 73.8 | 45% | 0.446 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G236 L237 E242 L243 L244 | G236-A240 PolarHBondContact O-N 3.49Å; L237-A240 PolarHBondContact O-N 3.38Å; A240-E242 VanDerWaalsContact C-N 3.3Å; A240-E242 PolarHBondContact O-N 2.97Å; A240-L243 PolarHBondContact O-N 3.48Å; A240-L244 PolarHBondContact O-N 3.29Å |
| 241 | L | 97.7 | Very high | 95 | Very high | 23 Ų | 23 | 74 Ų | 74 | 12% | 0.12 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 174.2 | -171.7 | 68.5 | 0 | 0 | 0 | 112.8 | L237 H239 L244 R245 K259 T262 | L237-L241 PolarHBondContact O-N 3.15Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3Å; L241-L244 HydrophobicContact CD1-CD2 4.4Å; L241-L244 PolarHBondContact O-N 2.87Å; L241-R245 PolarHBondContact O-N 3.39Å; L241-R245 VanDerWaalsContact O-N 3.07Å; L241-K259 HydrophobicContact CD2-CB 4.23Å; L241-K259 HydrophobicContact CD2-CD 4.1Å; L241-K259 HydrophobicContact CD2-CG 3.75Å; L241-T262 HydrophobicContact CD1-CG2 3.74Å; L241-T262 HydrophobicContact CG-CG2 4.38Å |
| 242 | E | 95.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.4 | -36.4 | 175.2 | -157.6 | 66 | -176.2 | 0 | 0 | 112.4 | N238 H239 A240 L244 R245 R246 R256 | N238-E242 PolarHBondContact O-N 3.3Å; N238-E242 VanDerWaalsContact O-N 3.11Å; H239-E242 PolarHBondContact O-N 3.06Å; A240-E242 VanDerWaalsContact C-N 3.3Å; A240-E242 PolarHBondContact O-N 2.97Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.35Å; E242-R245 WeakPolarHBondContact O-CB 3.03Å; E242-R245 PolarHBondContact O-N 3.3Å; E242-R245 WeakPolarHBondContact OE2-CD 3.44Å; E242-R245 IonicContact OE2-CZ 2.74Å; E242-R245 IonicContact OE2-NE 2.7Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.33Å; E242-R246 PolarHBondContact O-N 3.18Å; E242-R256 IonicContact OE1-CZ 3.61Å; E242-R256 IonicContact OE1-NE 3.66Å; E242-R256 PolarHBondContact OE1-NE 3Å; E242-R256 IonicContact OE1-NH2 2.72Å; E242-R256 PolarHBondContact OE1-NH2 3.36Å; E242-R256 IonicContact OE2-CZ 3.04Å; E242-R256 IonicContact OE2-NE 3.91Å; E242-R256 IonicContact OE2-NH2 3.44Å; E242-R256 PolarHBondContact OE2-NH2 3.01Å |
| 243 | L | 95.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 69.4 Ų | 69.4 | 40% | 0.398 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 168.9 | -65.5 | 179.3 | 0 | 0 | 0 | 110.9 | H239 A240 R245 R246 H247 | H239-L243 PolarHBondContact O-N 2.96Å; A240-L243 PolarHBondContact O-N 3.48Å; L243-R245 VanDerWaalsContact C-N 3.35Å; L243-R245 PolarHBondContact O-N 3.46Å; L243-R246 WeakPolarHBondContact O-CB 3.35Å; L243-R246 PolarHBondContact O-N 2.58Å; L243-H247 PolarHBondContact O-ND1 3.46Å |
| 244 | L | 97.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 68.1 Ų | 68.1 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 174.5 | -179.5 | 60.1 | 0 | 0 | 0 | 111.9 | A240 L241 E242 R246 H247 T262 L263 A266 | A240-L244 PolarHBondContact O-N 3.29Å; L241-L244 HydrophobicContact CD1-CD2 4.4Å; L241-L244 PolarHBondContact O-N 2.87Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.35Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.07Å; L244-H247 PolarHBondContact O-N 2.99Å; L244-H247 VanDerWaalsContact O-N 3.09Å; L244-T262 HydrophobicContact CD2-CG2 4.13Å; L244-T262 HydrophobicContact CG-CG2 4.24Å; L244-L263 HydrophobicContact CD2-CD2 4.26Å; L244-A266 HydrophobicContact CD1-CB 4Å; L244-A266 HydrophobicContact CD2-CB 4.09Å; L244-A266 HydrophobicContact CG-CB 4.32Å |
| 245 | R | 95.9 | Very high | 92 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -37.1 | 176.2 | -75.6 | -172.6 | -175.8 | 88.5 | 9.4 | 113 | L241 E242 L243 H247 I248 F251 L257 T262 | L241-R245 PolarHBondContact O-N 3.39Å; L241-R245 VanDerWaalsContact O-N 3.07Å; E242-R245 WeakPolarHBondContact O-CB 3.03Å; E242-R245 PolarHBondContact O-N 3.3Å; E242-R245 WeakPolarHBondContact OE2-CD 3.44Å; E242-R245 IonicContact OE2-CZ 2.74Å; E242-R245 IonicContact OE2-NE 2.7Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.33Å; L243-R245 VanDerWaalsContact C-N 3.35Å; L243-R245 PolarHBondContact O-N 3.46Å; R245-H247 PolarHBondContact O-N 3.25Å; R245-I248 WeakPolarHBondContact O-CB 3.25Å; R245-I248 PolarHBondContact O-N 3.4Å; R245-F251 HydrophobicContact CB-CD2 4.08Å; R245-F251 HydrophobicContact CB-CE2 4.21Å; R245-F251 WeakPolarHBondContact O-CB 3.35Å; R245-F251 WeakPolarHBondContact O-CD2 3.44Å; R245-L257 PolarHBondContact NE-O 2.92Å; R245-L257 VanDerWaalsContact NE-O 3.08Å; R245-L257 PolarHBondContact NH2-O 2.88Å; R245-T262 HydrophobicContact CG-CG2 3.64Å; R245-T262 PolarHBondContact NE-OG1 3.22Å; R245-T262 PolarHBondContact NH2-OG1 2.63Å |
| 246 | R | 94.1 | Very high | 91.6 | Very high | 154 Ų | 154 | 70.7 Ų | 70.7 | 58% | 0.581 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65 | -21.3 | 179.3 | -68.7 | 175.8 | 61.2 | 160.1 | -1.5 | 114 | E242 L243 L244 F251 | E242-R246 PolarHBondContact O-N 3.18Å; L243-R246 WeakPolarHBondContact O-CB 3.35Å; L243-R246 PolarHBondContact O-N 2.58Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.07Å; R246-F251 HydrophobicContact CG-CD2 4.48Å; R246-F251 HydrophobicContact CG-CE1 4.4Å; R246-F251 HydrophobicContact CG-CE2 4Å; R246-F251 HydrophobicContact CG-CZ 3.95Å |
| 247 | H | 93.5 | Very high | 91.4 | Very high | 75 Ų | 75 | 69.2 Ų | 69.2 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.3 | 179.2 | -62.6 | 83.9 | 0 | 0 | 0 | 113 | L243 L244 R245 Y269 F430 | L243-H247 PolarHBondContact O-ND1 3.46Å; L244-H247 PolarHBondContact O-N 2.99Å; L244-H247 VanDerWaalsContact O-N 3.09Å; R245-H247 PolarHBondContact O-N 3.25Å; H247-Y269 WeakPolarHBondContact O-CE1 3.41Å; H247-F430 PolarHBondContact CD2-O 3.22Å; H247-F430 PolarHBondContact NE2-O 2.91Å |
| 248 | I | 93 | Very high | 91.3 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.3 | 136.1 | 178 | -75.8 | 177.4 | 0 | 0 | 0 | 109.8 | R245 T250 F251 L257 T262 L265 | R245-I248 WeakPolarHBondContact O-CB 3.25Å; R245-I248 PolarHBondContact O-N 3.4Å; I248-T250 PolarHBondContact O-N 3.14Å; I248-F251 PolarHBondContact O-N 3.19Å; I248-F251 VanDerWaalsContact O-N 3.1Å; I248-L257 HydrophobicContact CD1-CD1 4.49Å; I248-L257 HydrophobicContact CG2-CD1 4.29Å; I248-T262 HydrophobicContact CD1-CG2 3.71Å; I248-T262 WeakPolarHBondContact CD1-O 3.29Å; I248-L265 HydrophobicContact CG2-CD2 3.36Å; I248-L265 HydrophobicContact CG2-CG 3.81Å |
| 249 | P | 86 | Confident | 91.2 | Very high | 30 Ų | 30 | 69 Ų | 69 | 20% | 0.195 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18 | -176.1 | -30.2 | 36.5 | 0 | 0 | 0 | 116.6 | Y269 L292 | P249-Y269 HydrophobicContact CG-CD1 4.04Å; P249-Y269 HydrophobicContact CG-CD2 3.6Å; P249-Y269 HydrophobicContact CG-CE1 3.96Å; P249-Y269 HydrophobicContact CG-CE2 3.51Å; P249-Y269 HydrophobicContact CG-CG 3.88Å; P249-L292 HydrophobicContact CB-CD1 4.31Å; P249-L292 HydrophobicContact CG-CD1 4.26Å |
| 250 | T | 81.3 | Confident | 91.2 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.043 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 33.6 | -177.4 | 69.8 | 0 | 0 | 0 | 0 | 112 | I248 S252 I304 T307 | I248-T250 PolarHBondContact O-N 3.14Å; T250-S252 PolarHBondContact O-N 2.98Å; T250-S252 VanDerWaalsContact O-N 3.16Å; T250-I304 HydrophobicContact CG2-CB 3.99Å; T250-I304 HydrophobicContact CG2-CD1 3.97Å; T250-I304 HydrophobicContact CG2-CG1 3.81Å; T250-I304 HydrophobicContact CG2-CG2 3.87Å; T250-T307 HydrophobicContact CG2-CG2 4.31Å |
| 251 | F | 82 | Confident | 91.1 | Very high | 85 Ų | 85 | 66.3 Ų | 66.3 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | trans | -59.9 | 117.2 | 177.6 | 178.4 | -109.1 | 0 | 0 | 0 | 111.1 | R245 R246 I248 T253 | R245-F251 HydrophobicContact CB-CD2 4.08Å; R245-F251 HydrophobicContact CB-CE2 4.21Å; R245-F251 WeakPolarHBondContact O-CB 3.35Å; R245-F251 WeakPolarHBondContact O-CD2 3.44Å; R246-F251 HydrophobicContact CG-CD2 4.48Å; R246-F251 HydrophobicContact CG-CE1 4.4Å; R246-F251 HydrophobicContact CG-CE2 4Å; R246-F251 HydrophobicContact CG-CZ 3.95Å; I248-F251 PolarHBondContact O-N 3.19Å; I248-F251 VanDerWaalsContact O-N 3.1Å; F251-T253 HydrophobicContact CE1-CG2 3.84Å; F251-T253 HydrophobicContact CZ-CG2 4.14Å | ||
| 252 | S | 81.8 | Confident | 91.1 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | trans | -119.7 | 130.9 | 172.6 | 174 | 0 | 0 | 0 | 0 | 110 | T250 T254 Q255 | T250-S252 PolarHBondContact O-N 2.98Å; T250-S252 VanDerWaalsContact O-N 3.16Å; S252-T254 VanDerWaalsContact C-N 3.29Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.93Å; S252-T254 VanDerWaalsContact OG-OG1 3.06Å; S252-Q255 PolarHBondContact OG-N 3.1Å | ||
| 253 | T | 78.8 | Confident | 91.2 | Very high | 117 Ų | 117 | 67.6 Ų | 67.6 | 72% | 0.718 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -70.8 | -27.3 | 174.9 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | F251 | F251-T253 HydrophobicContact CE1-CG2 3.84Å; F251-T253 HydrophobicContact CZ-CG2 4.14Å |
| 254 | T | 84.6 | Confident | 91.3 | Very high | 129 Ų | 129 | 69.7 Ų | 69.7 | 79% | 0.791 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -89.5 | -34.7 | 179.6 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | S252 | S252-T254 VanDerWaalsContact C-N 3.29Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.93Å; S252-T254 VanDerWaalsContact OG-OG1 3.06Å |
| 255 | Q | 86.4 | Confident | 91.2 | Very high | 88 Ų | 88 | 66.9 Ų | 66.9 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -116.5 | 98.6 | -177.5 | -171.3 | 176.9 | -1.1 | 0 | 0 | 111.4 | S252 L303 | S252-Q255 PolarHBondContact OG-N 3.1Å; Q255-L303 HydrophobicContact CG-CD2 4.41Å |
| 256 | R | 90.3 | Very high | 91.3 | Very high | 158 Ų | 158 | 66.4 Ų | 66.4 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 124.1 | -178.5 | -63.3 | 174.8 | 75 | -161.3 | -0.2 | 111.2 | E242 | E242-R256 IonicContact OE1-CZ 3.61Å; E242-R256 IonicContact OE1-NE 3.66Å; E242-R256 PolarHBondContact OE1-NE 3Å; E242-R256 IonicContact OE1-NH2 2.72Å; E242-R256 PolarHBondContact OE1-NH2 3.36Å; E242-R256 IonicContact OE2-CZ 3.04Å; E242-R256 IonicContact OE2-NE 3.91Å; E242-R256 IonicContact OE2-NH2 3.44Å; E242-R256 PolarHBondContact OE2-NH2 3.01Å |
| 257 | L | 93.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.9 | 174.9 | -61.7 | 179.1 | 0 | 0 | 0 | 111.9 | R245 I248 E261 T262 L265 T300 L303 | R245-L257 PolarHBondContact NE-O 2.92Å; R245-L257 VanDerWaalsContact NE-O 3.08Å; R245-L257 PolarHBondContact NH2-O 2.88Å; I248-L257 HydrophobicContact CD1-CD1 4.49Å; I248-L257 HydrophobicContact CG2-CD1 4.29Å; L257-E261 HydrophobicContact CB-CB 4.25Å; L257-T262 PolarHBondContact O-OG1 3.4Å; L257-L265 HydrophobicContact CD1-CD2 3.7Å; L257-T300 HydrophobicContact CD2-CG2 3.68Å; L257-T300 WeakPolarHBondContact CD2-OG1 3.48Å; L257-L303 HydrophobicContact CD2-CD2 4.4Å |
| 258 | S | 95.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -61 | 165.3 | 173.9 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | I260 E261 T262 | S258-I260 VanDerWaalsContact C-N 3.29Å; S258-I260 PolarHBondContact O-N 2.93Å; S258-I260 WeakPolarHBondContact OG-CG2 3.45Å; S258-E261 WeakPolarHBondContact CB-OE2 3.48Å; S258-E261 PolarHBondContact N-OE2 3.19Å; S258-E261 PolarHBondContact O-N 3.39Å; S258-E261 WeakPolarHBondContact OG-CB 3.32Å; S258-E261 VanDerWaalsContact OG-CD 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.29Å; S258-E261 WeakPolarHBondContact OG-CG 3.19Å; S258-E261 PolarHBondContact OG-N 3.45Å; S258-E261 PolarHBondContact OG-OE2 2.93Å; S258-T262 WeakPolarHBondContact O-CB 3.48Å; S258-T262 PolarHBondContact O-N 2.86Å; S258-T262 PolarHBondContact O-OG1 2.89Å |
| 259 | K | 96.9 | Very high | 91.8 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 179.9 | -62.4 | -161.6 | 168.2 | -168 | 0 | 112 | N238 L241 L263 | N238-K259 PolarHBondContact OD1-NZ 3.23Å; L241-K259 HydrophobicContact CD2-CB 4.23Å; L241-K259 HydrophobicContact CD2-CD 4.1Å; L241-K259 HydrophobicContact CD2-CG 3.75Å; K259-L263 WeakPolarHBondContact O-CG 3.37Å; K259-L263 PolarHBondContact O-N 3.4Å |
| 260 | I | 97.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.3 | -40.7 | -178.7 | -176.1 | 59.4 | 0 | 0 | 0 | 112.2 | S258 L263 R264 | S258-I260 VanDerWaalsContact C-N 3.29Å; S258-I260 PolarHBondContact O-N 2.93Å; S258-I260 WeakPolarHBondContact OG-CG2 3.45Å; I260-L263 PolarHBondContact O-N 2.94Å; I260-R264 HydrophobicContact CD1-CG 4.3Å; I260-R264 HydrophobicContact CG1-CG 4.45Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.42Å |
| 261 | E | 96.3 | Very high | 93 | Very high | 29 Ų | 29 | 71.8 Ų | 71.8 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 177 | -70 | 165.7 | 125.7 | 0 | 0 | 112 | L257 S258 L263 R264 L265 S297 T300 | L257-E261 HydrophobicContact CB-CB 4.25Å; S258-E261 WeakPolarHBondContact CB-OE2 3.48Å; S258-E261 PolarHBondContact N-OE2 3.19Å; S258-E261 PolarHBondContact O-N 3.39Å; S258-E261 WeakPolarHBondContact OG-CB 3.32Å; S258-E261 VanDerWaalsContact OG-CD 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.29Å; S258-E261 WeakPolarHBondContact OG-CG 3.19Å; S258-E261 PolarHBondContact OG-N 3.45Å; S258-E261 PolarHBondContact OG-OE2 2.93Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.3Å; E261-R264 PolarHBondContact O-N 3Å; E261-L265 VanDerWaalsContact O-CB 3.25Å; E261-L265 WeakPolarHBondContact O-CB 3.45Å; E261-L265 PolarHBondContact O-N 2.87Å; E261-S297 WeakPolarHBondContact OE1-CB 3.31Å; E261-S297 PolarHBondContact OE1-OG 3.11Å; E261-T300 VanDerWaalsContact CD-OG1 3.31Å; E261-T300 WeakPolarHBondContact OE1-CB 3.37Å; E261-T300 PolarHBondContact OE1-OG1 2.97Å |
| 262 | T | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | L241 L244 R245 I248 L257 S258 A266 | L241-T262 HydrophobicContact CD1-CG2 3.74Å; L241-T262 HydrophobicContact CG-CG2 4.38Å; L244-T262 HydrophobicContact CD2-CG2 4.13Å; L244-T262 HydrophobicContact CG-CG2 4.24Å; R245-T262 HydrophobicContact CG-CG2 3.64Å; R245-T262 PolarHBondContact NE-OG1 3.22Å; R245-T262 PolarHBondContact NH2-OG1 2.63Å; I248-T262 HydrophobicContact CD1-CG2 3.71Å; I248-T262 WeakPolarHBondContact CD1-O 3.29Å; L257-T262 PolarHBondContact O-OG1 3.4Å; S258-T262 WeakPolarHBondContact O-CB 3.48Å; S258-T262 PolarHBondContact O-N 2.86Å; S258-T262 PolarHBondContact O-OG1 2.89Å; T262-A266 VanDerWaalsContact O-CB 3.23Å; T262-A266 WeakPolarHBondContact O-CB 3.38Å; T262-A266 PolarHBondContact O-N 3.28Å |
| 263 | L | 97.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 179.6 | -66.4 | 172.4 | 0 | 0 | 0 | 112.7 | L244 K259 I260 E261 A266 K267 | L244-L263 HydrophobicContact CD2-CD2 4.26Å; K259-L263 WeakPolarHBondContact O-CG 3.37Å; K259-L263 PolarHBondContact O-N 3.4Å; I260-L263 PolarHBondContact O-N 2.94Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.3Å; L263-A266 PolarHBondContact O-N 3.12Å; L263-K267 PolarHBondContact O-N 3.16Å |
| 264 | R | 97.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 66.8 Ų | 66.8 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 176.7 | -73.5 | -178.7 | -178.3 | 178.1 | 2.8 | 111.4 | I260 E261 A266 K267 N268 G295 L296 | I260-R264 HydrophobicContact CD1-CG 4.3Å; I260-R264 HydrophobicContact CG1-CG 4.45Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.42Å; E261-R264 PolarHBondContact O-N 3Å; R264-A266 VanDerWaalsContact C-N 3.35Å; R264-A266 PolarHBondContact O-N 3.33Å; R264-K267 WeakPolarHBondContact O-CB 3.47Å; R264-K267 PolarHBondContact O-N 2.9Å; R264-N268 PolarHBondContact O-N 3.5Å; R264-N268 PolarHBondContact O-OD1 3.48Å; R264-G295 WeakPolarHBondContact CD-O 3.37Å; R264-G295 PolarHBondContact NH1-O 3.02Å; R264-L296 HydrophobicContact CB-CD2 3.52Å |
| 265 | L | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 180 | -178.7 | 51.7 | 0 | 0 | 0 | 112.1 | I248 L257 E261 N268 Y269 L292 L296 I304 | I248-L265 HydrophobicContact CG2-CD2 3.36Å; I248-L265 HydrophobicContact CG2-CG 3.81Å; L257-L265 HydrophobicContact CD1-CD2 3.7Å; E261-L265 VanDerWaalsContact O-CB 3.25Å; E261-L265 WeakPolarHBondContact O-CB 3.45Å; E261-L265 PolarHBondContact O-N 2.87Å; L265-N268 PolarHBondContact O-N 3.38Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.3Å; L265-Y269 PolarHBondContact O-N 3.43Å; L265-L292 HydrophobicContact CD1-CB 3.88Å; L265-L292 HydrophobicContact CD1-CD2 3.91Å; L265-L292 HydrophobicContact CD1-CG 4.39Å; L265-L292 WeakPolarHBondContact CD1-O 3.49Å; L265-L296 HydrophobicContact CB-CD1 4.07Å; L265-L296 HydrophobicContact CB-CD2 4.36Å; L265-L296 HydrophobicContact CD1-CD1 4.07Å; L265-L296 HydrophobicContact CD2-CD1 4.32Å; L265-L296 HydrophobicContact CG-CD1 4.38Å; L265-I304 HydrophobicContact CD1-CD1 3.62Å; L265-I304 HydrophobicContact CD2-CD1 3.74Å; L265-I304 HydrophobicContact CG-CD1 4.36Å |
| 266 | A | 97.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L244 T262 L263 R264 Y269 I270 | L244-A266 HydrophobicContact CD1-CB 4Å; L244-A266 HydrophobicContact CD2-CB 4.09Å; L244-A266 HydrophobicContact CG-CB 4.32Å; T262-A266 VanDerWaalsContact O-CB 3.23Å; T262-A266 WeakPolarHBondContact O-CB 3.38Å; T262-A266 PolarHBondContact O-N 3.28Å; L263-A266 PolarHBondContact O-N 3.12Å; R264-A266 VanDerWaalsContact C-N 3.35Å; R264-A266 PolarHBondContact O-N 3.33Å; A266-Y269 PolarHBondContact O-N 3.38Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 3.31Å |
| 267 | K | 97.7 | Very high | 96.1 | Very high | 137 Ų | 137 | 60.2 Ų | 60.2 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.8 | -49.7 | 173.1 | -179.3 | -152.9 | 172.1 | -163.1 | 0 | 110.9 | L263 R264 Y269 I270 K271 | L263-K267 PolarHBondContact O-N 3.16Å; R264-K267 WeakPolarHBondContact O-CB 3.47Å; R264-K267 PolarHBondContact O-N 2.9Å; K267-Y269 VanDerWaalsContact C-N 3.31Å; K267-Y269 PolarHBondContact O-N 3.05Å; K267-I270 PolarHBondContact O-N 3.14Å; K267-K271 PolarHBondContact O-N 2.72Å |
| 268 | N | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | R264 L265 K271 T272 N291 L292 E294 | R264-N268 PolarHBondContact O-N 3.5Å; R264-N268 PolarHBondContact O-OD1 3.48Å; L265-N268 PolarHBondContact O-N 3.38Å; N268-K271 PolarHBondContact O-N 3.16Å; N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.19Å; N268-T272 PolarHBondContact O-OG1 3.35Å; N268-N291 WeakPolarHBondContact CB-O 3.49Å; N268-L292 PolarHBondContact ND2-O 2.97Å; N268-E294 PolarHBondContact ND2-O 3.04Å |
| 269 | Y | 96.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 69.6 Ų | 69.6 | 21% | 0.208 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.1 | -173.9 | -141.2 | 0 | 0 | 0 | 111.9 | H247 P249 L265 A266 K267 K271 T272 L273 L292 | H247-Y269 WeakPolarHBondContact O-CE1 3.41Å; P249-Y269 HydrophobicContact CG-CD1 4.04Å; P249-Y269 HydrophobicContact CG-CD2 3.6Å; P249-Y269 HydrophobicContact CG-CE1 3.96Å; P249-Y269 HydrophobicContact CG-CE2 3.51Å; P249-Y269 HydrophobicContact CG-CG 3.88Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.3Å; L265-Y269 PolarHBondContact O-N 3.43Å; A266-Y269 PolarHBondContact O-N 3.38Å; K267-Y269 VanDerWaalsContact C-N 3.31Å; K267-Y269 PolarHBondContact O-N 3.05Å; Y269-K271 PolarHBondContact O-N 3.29Å; Y269-T272 PolarHBondContact O-N 2.72Å; Y269-L273 HydrophobicContact CD1-CD1 4.25Å; Y269-L273 HydrophobicContact CD2-CD1 4.08Å; Y269-L273 HydrophobicContact CD2-CD2 4.41Å; Y269-L273 HydrophobicContact CD2-CG 3.88Å; Y269-L273 HydrophobicContact CE1-CD1 3.91Å; Y269-L273 HydrophobicContact CE2-CD1 3.72Å; Y269-L273 HydrophobicContact CE2-CD2 3.76Å; Y269-L273 HydrophobicContact CE2-CG 3.65Å; Y269-L273 HydrophobicContact CG-CD1 4.34Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 WeakPolarHBondContact O-CG 3.45Å; Y269-L273 PolarHBondContact O-N 3.08Å; Y269-L292 HydrophobicContact CD2-CD2 3.94Å; Y269-L292 HydrophobicContact CG-CD2 4.3Å |
| 270 | I | 97.2 | Very high | 95.5 | Very high | 111 Ų | 111 | 71.4 Ų | 71.4 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 174.3 | -67.3 | 165.4 | 0 | 0 | 0 | 111.2 | A266 K267 S274 | A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 3.31Å; K267-I270 PolarHBondContact O-N 3.14Å; I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.75Å; I270-S274 PolarHBondContact O-OG 2.91Å |
| 271 | K | 95.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.9 | -55.7 | 173.6 | 172.4 | -175.3 | 166.4 | -172.7 | 0 | 110.6 | K267 N268 Y269 L273 S274 E275 E294 | K267-K271 PolarHBondContact O-N 2.72Å; N268-K271 PolarHBondContact O-N 3.16Å; Y269-K271 PolarHBondContact O-N 3.29Å; K271-L273 PolarHBondContact O-N 2.93Å; K271-S274 WeakPolarHBondContact O-CB 3.3Å; K271-S274 PolarHBondContact O-N 2.58Å; K271-S274 VanDerWaalsContact O-N 3.14Å; K271-E275 WeakPolarHBondContact CE-OE1 3.43Å; K271-E275 VanDerWaalsContact CG-OE1 3.25Å; K271-E275 WeakPolarHBondContact CG-OE1 3.16Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 3.4Å; K271-E294 IonicContact NZ-OE2 3.71Å; K271-E294 PolarHBondContact NZ-OE2 2.72Å |
| 272 | T | 94.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.8 | -53.3 | -179.4 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | N268 Y269 S274 E275 L276 N291 | N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.19Å; N268-T272 PolarHBondContact O-OG1 3.35Å; Y269-T272 PolarHBondContact O-N 2.72Å; T272-S274 VanDerWaalsContact C-N 3.28Å; T272-S274 PolarHBondContact O-N 2.95Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.38Å; T272-E275 VanDerWaalsContact O-N 3.12Å; T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.28Å; T272-N291 HydrophobicContact CG2-CB 4.26Å; T272-N291 WeakPolarHBondContact OG1-CB 3.19Å |
| 273 | L | 95.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 77.9 Ų | 77.9 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -36.4 | 179.7 | -70.5 | 179.4 | 0 | 0 | 0 | 112.9 | Y269 K271 L276 L277 | Y269-L273 HydrophobicContact CD1-CD1 4.25Å; Y269-L273 HydrophobicContact CD2-CD1 4.08Å; Y269-L273 HydrophobicContact CD2-CD2 4.41Å; Y269-L273 HydrophobicContact CD2-CG 3.88Å; Y269-L273 HydrophobicContact CE1-CD1 3.91Å; Y269-L273 HydrophobicContact CE2-CD1 3.72Å; Y269-L273 HydrophobicContact CE2-CD2 3.76Å; Y269-L273 HydrophobicContact CE2-CG 3.65Å; Y269-L273 HydrophobicContact CG-CD1 4.34Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 WeakPolarHBondContact O-CG 3.45Å; Y269-L273 PolarHBondContact O-N 3.08Å; K271-L273 PolarHBondContact O-N 2.93Å; L273-L276 PolarHBondContact O-N 3.06Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.27Å; L273-L277 PolarHBondContact O-N 3.07Å; L273-L277 VanDerWaalsContact O-N 3.08Å |
| 274 | S | 95.8 | Very high | 93.8 | Very high | 53 Ų | 53 | 76.9 Ų | 76.9 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | I270 K271 T272 L276 L277 L278 | I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.75Å; I270-S274 PolarHBondContact O-OG 2.91Å; K271-S274 WeakPolarHBondContact O-CB 3.3Å; K271-S274 PolarHBondContact O-N 2.58Å; K271-S274 VanDerWaalsContact O-N 3.14Å; T272-S274 VanDerWaalsContact C-N 3.28Å; T272-S274 PolarHBondContact O-N 2.95Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 3.46Å; S274-L277 PolarHBondContact O-N 2.96Å; S274-L278 WeakPolarHBondContact O-CD1 3.29Å; S274-L278 VanDerWaalsContact O-CG 3.27Å; S274-L278 WeakPolarHBondContact O-CG 3.31Å; S274-L278 PolarHBondContact O-N 3.34Å |
| 275 | E | 93.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.9 | -67.7 | 161.5 | 178.4 | 0 | 0 | 111.2 | K271 T272 L277 L278 M279 N291 | K271-E275 WeakPolarHBondContact CE-OE1 3.43Å; K271-E275 VanDerWaalsContact CG-OE1 3.25Å; K271-E275 WeakPolarHBondContact CG-OE1 3.16Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 3.4Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.38Å; T272-E275 VanDerWaalsContact O-N 3.12Å; E275-L277 PolarHBondContact O-N 3.3Å; E275-L278 PolarHBondContact O-N 3.32Å; E275-M279 WeakPolarHBondContact O-CB 3.46Å; E275-M279 VanDerWaalsContact O-CG 3.27Å; E275-M279 WeakPolarHBondContact O-CG 3.2Å; E275-M279 PolarHBondContact O-N 3.36Å; E275-N291 PolarHBondContact OE2-ND2 3.43Å |
| 276 | L | 93.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.3 | -57.2 | -164.7 | 0 | 0 | 0 | 112.7 | T272 L273 S274 L278 N280 P283 | T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.28Å; L273-L276 PolarHBondContact O-N 3.06Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-N280 WeakPolarHBondContact O-CA 3.44Å; L276-N280 PolarHBondContact O-N 2.85Å; L276-P283 HydrophobicContact CD1-CG 3.9Å; L276-P283 HydrophobicContact CD2-CB 3.93Å; L276-P283 VanDerWaalsContact CD2-CD 3.5Å; L276-P283 HydrophobicContact CD2-CG 3.68Å; L276-P283 HydrophobicContact CG-CG 4.41Å |
| 277 | L | 94.8 | Very high | 93 | Very high | 136 Ų | 136 | 79.4 Ų | 79.4 | 71% | 0.712 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | 178.1 | -70.1 | 171.3 | 0 | 0 | 0 | 112.4 | L273 S274 E275 N280 | L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.27Å; L273-L277 PolarHBondContact O-N 3.07Å; L273-L277 VanDerWaalsContact O-N 3.08Å; S274-L277 PolarHBondContact O-N 2.96Å; E275-L277 PolarHBondContact O-N 3.3Å; L277-N280 PolarHBondContact O-ND2 3.49Å |
| 278 | L | 94 | Very high | 92.8 | Very high | 143 Ų | 143 | 74.3 Ų | 74.3 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -76.9 | -45 | 177.4 | -70.7 | 166.6 | 0 | 0 | 0 | 111.9 | S274 E275 L276 | S274-L278 WeakPolarHBondContact O-CD1 3.29Å; S274-L278 VanDerWaalsContact O-CG 3.27Å; S274-L278 WeakPolarHBondContact O-CG 3.31Å; S274-L278 PolarHBondContact O-N 3.34Å; E275-L278 PolarHBondContact O-N 3.32Å; L276-L278 VanDerWaalsContact C-N 3.33Å |
| 279 | M | 90.6 | Very high | 92.6 | Very high | 114 Ų | 114 | 74.1 Ų | 74.1 | 56% | 0.562 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -80.3 | -18.8 | -175.7 | -63 | 176.6 | 86.1 | 0 | 0 | 113.2 | E275 K281 | E275-M279 WeakPolarHBondContact O-CB 3.46Å; E275-M279 VanDerWaalsContact O-CG 3.27Å; E275-M279 WeakPolarHBondContact O-CG 3.2Å; E275-M279 PolarHBondContact O-N 3.36Å; M279-K281 HydrophobicContact CB-CB 4.3Å; M279-K281 HydrophobicContact CB-CG 4.5Å; M279-K281 PolarHBondContact O-N 3.06Å; M279-K281 VanDerWaalsContact O-N 3.15Å |
| 280 | N | 88.7 | Confident | 92.4 | Very high | 145 Ų | 145 | 72.2 Ų | 72.2 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 31.4 | -171.2 | -68.5 | -78.5 | 0 | 0 | 0 | 113.2 | L276 L277 | L276-N280 WeakPolarHBondContact O-CA 3.44Å; L276-N280 PolarHBondContact O-N 2.85Å; L277-N280 PolarHBondContact O-ND2 3.49Å |
| 281 | K | 86.6 | Confident | 92.2 | Very high | 143 Ų | 143 | 68.5 Ų | 68.5 | 62% | 0.622 | 36% | 0.36 | S | S | * | . | trans | -116.1 | 137.4 | 177.4 | -71.7 | 173.8 | -176.5 | 178.7 | 0 | 108.8 | M279 | M279-K281 HydrophobicContact CB-CB 4.3Å; M279-K281 HydrophobicContact CB-CG 4.5Å; M279-K281 PolarHBondContact O-N 3.06Å; M279-K281 VanDerWaalsContact O-N 3.15Å | ||
| 282 | T | 87.9 | Confident | 92.2 | Very high | 107 Ų | 107 | 64.8 Ų | 64.8 | 66% | 0.656 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 130.6 | 165.5 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | M435 | T282-M435 HydrophobicContact CG2-CE 4.28Š|
| 283 | P | 87.7 | Confident | 92.2 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 153.2 | 178.7 | 35.9 | -34.4 | 0 | 0 | 0 | 108.1 | L276 E287 M288 | L276-P283 HydrophobicContact CD1-CG 3.9Å; L276-P283 HydrophobicContact CD2-CB 3.93Å; L276-P283 VanDerWaalsContact CD2-CD 3.5Å; L276-P283 HydrophobicContact CD2-CG 3.68Å; L276-P283 HydrophobicContact CG-CG 4.41Å; P283-E287 WeakPolarHBondContact CA-OE2 3.49Å; P283-E287 HydrophobicContact CB-CB 4.28Å; P283-E287 HydrophobicContact CB-CG 4.06Å; P283-M288 HydrophobicContact CB-CB 4.45Å; P283-M288 HydrophobicContact CG-CB 4.07Å; P283-M288 HydrophobicContact CG-CE 3.7Å |
| 284 | T | 91.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 153.4 | 166.7 | 65.4 | 0 | 0 | 0 | 0 | 109.7 | L286 E287 M288 | T284-L286 PolarHBondContact O-N 2.84Å; T284-L286 VanDerWaalsContact O-N 3.15Å; T284-E287 PolarHBondContact N-OE2 3.31Å; T284-E287 WeakPolarHBondContact O-CB 3.4Å; T284-E287 PolarHBondContact O-N 3.4Å; T284-E287 VanDerWaalsContact O-N 3.08Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 PolarHBondContact OG1-N 2.7Å; T284-E287 VanDerWaalsContact OG1-N 3.16Å; T284-M288 PolarHBondContact O-N 3.06Å |
| 285 | P | 91.2 | Very high | 91.9 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54 | -36.7 | 175.6 | -28.6 | 35.9 | 0 | 0 | 0 | 112.6 | M288 A289 I310 F437 | P285-M288 PolarHBondContact O-N 3.31Å; P285-A289 WeakPolarHBondContact O-CB 3.33Å; P285-A289 PolarHBondContact O-N 3.1Å; P285-I310 HydrophobicContact CB-CD1 4.28Å; P285-I310 WeakPolarHBondContact O-CD1 3.49Å; P285-F437 HydrophobicContact CG-CD2 4.19Å; P285-F437 HydrophobicContact CG-CE2 4.23Å; P285-F437 HydrophobicContact CG-CG 4.36Å; P285-F437 HydrophobicContact CG-CZ 4.46Å |
| 286 | L | 91.8 | Very high | 92 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.2 | -178.5 | 58.8 | 0 | 0 | 0 | 112.7 | T284 A289 I290 I310 I314 L318 | T284-L286 PolarHBondContact O-N 2.84Å; T284-L286 VanDerWaalsContact O-N 3.15Å; L286-A289 PolarHBondContact O-N 3.08Å; L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 4.16Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 PolarHBondContact O-N 3.42Å; L286-I310 HydrophobicContact CD1-CG2 4.04Å; L286-I314 HydrophobicContact CD1-CG2 4.25Å; L286-I314 HydrophobicContact CD2-CG2 4.43Å; L286-L318 HydrophobicContact CD2-CD2 3.98Å; L286-L318 HydrophobicContact CG-CD2 4.33Å |
| 287 | E | 91.8 | Very high | 92 | Very high | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.7 | 179.5 | 177.4 | -157.6 | 0 | 0 | 111.8 | P283 T284 A289 I290 N291 | P283-E287 WeakPolarHBondContact CA-OE2 3.49Å; P283-E287 HydrophobicContact CB-CB 4.28Å; P283-E287 HydrophobicContact CB-CG 4.06Å; T284-E287 PolarHBondContact N-OE2 3.31Å; T284-E287 WeakPolarHBondContact O-CB 3.4Å; T284-E287 PolarHBondContact O-N 3.4Å; T284-E287 VanDerWaalsContact O-N 3.08Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 PolarHBondContact OG1-N 2.7Å; T284-E287 VanDerWaalsContact OG1-N 3.16Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.19Å; E287-I290 PolarHBondContact O-N 2.83Å; E287-N291 PolarHBondContact O-N 3.19Å; E287-N291 PolarHBondContact O-OD1 3.24Å |
| 288 | M | 93 | Very high | 91.8 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.2 | -177.8 | 177.2 | -71.7 | 0 | 0 | 111.4 | P283 T284 P285 I290 N291 L292 L308 | P283-M288 HydrophobicContact CB-CB 4.45Å; P283-M288 HydrophobicContact CG-CB 4.07Å; P283-M288 HydrophobicContact CG-CE 3.7Å; T284-M288 PolarHBondContact O-N 3.06Å; P285-M288 PolarHBondContact O-N 3.31Å; M288-I290 PolarHBondContact O-N 3.26Å; M288-N291 PolarHBondContact O-N 3.24Å; M288-L292 HydrophobicContact CG-CD1 3.77Å; M288-L292 HydrophobicContact CG-CG 4.17Å; M288-L292 WeakPolarHBondContact O-CB 3.23Å; M288-L292 WeakPolarHBondContact O-CG 3.41Å; M288-L292 PolarHBondContact O-N 3.07Å; M288-L292 HydrophobicContact SD-CD1 4.38Å; M288-L308 HydrophobicContact CG-CD1 4.32Å; M288-L308 HydrophobicContact SD-CD2 4.37Å |
| 289 | A | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P285 L286 E287 L292 T293 L308 I310 L315 | P285-A289 WeakPolarHBondContact O-CB 3.33Å; P285-A289 PolarHBondContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.08Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.19Å; A289-L292 PolarHBondContact O-N 3.26Å; A289-T293 VanDerWaalsContact O-CB 3.31Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 VanDerWaalsContact O-CG2 3.3Å; A289-T293 WeakPolarHBondContact O-CG2 3.48Å; A289-T293 PolarHBondContact O-N 2.92Å; A289-T293 PolarHBondContact O-OG1 2.77Å; A289-L308 HydrophobicContact CB-CD1 3.75Å; A289-I310 HydrophobicContact CB-CD1 3.4Å; A289-L315 HydrophobicContact CB-CD1 3.89Å; A289-L315 HydrophobicContact CB-CD2 4.24Å |
| 290 | I | 93.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 176.1 | -72.5 | 164.5 | 0 | 0 | 0 | 110.3 | L286 E287 M288 L292 T293 E294 L315 L318 | L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 4.16Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 PolarHBondContact O-N 3.42Å; E287-I290 PolarHBondContact O-N 2.83Å; M288-I290 PolarHBondContact O-N 3.26Å; I290-L292 PolarHBondContact O-N 3.09Å; I290-T293 PolarHBondContact O-N 3.06Å; I290-T293 PolarHBondContact O-OG1 2.83Å; I290-E294 PolarHBondContact O-N 3.16Å; I290-L315 HydrophobicContact CB-CD1 4.46Å; I290-L315 HydrophobicContact CG1-CD1 3.64Å; I290-L318 HydrophobicContact CD1-CB 4.08Å; I290-L318 HydrophobicContact CD1-CD2 3.66Å |
| 291 | N | 92.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -176.9 | -65.4 | 3.6 | 0 | 0 | 0 | 111.8 | N268 T272 E275 E287 M288 | N268-N291 WeakPolarHBondContact CB-O 3.49Å; T272-N291 HydrophobicContact CG2-CB 4.26Å; T272-N291 WeakPolarHBondContact OG1-CB 3.19Å; E275-N291 PolarHBondContact OE2-ND2 3.43Å; E287-N291 PolarHBondContact O-N 3.19Å; E287-N291 PolarHBondContact O-OD1 3.24Å; M288-N291 PolarHBondContact O-N 3.24Å |
| 292 | L | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 176.7 | -70.6 | 179.1 | 0 | 0 | 0 | 113.1 | P249 L265 N268 Y269 M288 A289 I290 L296 I304 L308 | P249-L292 HydrophobicContact CB-CD1 4.31Å; P249-L292 HydrophobicContact CG-CD1 4.26Å; L265-L292 HydrophobicContact CD1-CB 3.88Å; L265-L292 HydrophobicContact CD1-CD2 3.91Å; L265-L292 HydrophobicContact CD1-CG 4.39Å; L265-L292 WeakPolarHBondContact CD1-O 3.49Å; N268-L292 PolarHBondContact ND2-O 2.97Å; Y269-L292 HydrophobicContact CD2-CD2 3.94Å; Y269-L292 HydrophobicContact CG-CD2 4.3Å; M288-L292 HydrophobicContact CG-CD1 3.77Å; M288-L292 HydrophobicContact CG-CG 4.17Å; M288-L292 WeakPolarHBondContact O-CB 3.23Å; M288-L292 WeakPolarHBondContact O-CG 3.41Å; M288-L292 PolarHBondContact O-N 3.07Å; M288-L292 HydrophobicContact SD-CD1 4.38Å; A289-L292 PolarHBondContact O-N 3.26Å; I290-L292 PolarHBondContact O-N 3.09Å; L292-L296 WeakPolarHBondContact O-CD1 3.49Å; L292-I304 HydrophobicContact CB-CD1 4.16Å; L292-I304 HydrophobicContact CB-CG2 4.44Å; L292-I304 HydrophobicContact CD1-CG2 4.29Å; L292-L308 HydrophobicContact CD1-CD1 4.47Å |
| 293 | T | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -90.6 | -0.2 | -171.9 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | A289 I290 G295 L296 I304 L315 Q319 | A289-T293 VanDerWaalsContact O-CB 3.31Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 VanDerWaalsContact O-CG2 3.3Å; A289-T293 WeakPolarHBondContact O-CG2 3.48Å; A289-T293 PolarHBondContact O-N 2.92Å; A289-T293 PolarHBondContact O-OG1 2.77Å; I290-T293 PolarHBondContact O-N 3.06Å; I290-T293 PolarHBondContact O-OG1 2.83Å; T293-G295 PolarHBondContact O-N 2.75Å; T293-G295 VanDerWaalsContact O-N 3.07Å; T293-L296 PolarHBondContact O-N 3.18Å; T293-I304 HydrophobicContact CG2-CB 3.75Å; T293-I304 HydrophobicContact CG2-CD1 3.74Å; T293-I304 HydrophobicContact CG2-CG1 3.75Å; T293-I304 HydrophobicContact CG2-CG2 4.1Å; T293-L315 HydrophobicContact CG2-CD2 4.14Å; T293-Q319 PolarHBondContact OG1-NE2 3.25Å |
| 294 | E | 92.6 | Very high | 92.9 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 112 | 174 | -163.7 | -167.1 | 142.7 | 0 | 0 | 111.7 | N268 K271 I290 L296 | N268-E294 PolarHBondContact ND2-O 3.04Å; K271-E294 IonicContact NZ-OE2 3.71Å; K271-E294 PolarHBondContact NZ-OE2 2.72Å; I290-E294 PolarHBondContact O-N 3.16Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.04Å |
| 295 | G | 92 | Very high | 93 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R264 T293 | R264-G295 WeakPolarHBondContact CD-O 3.37Å; R264-G295 PolarHBondContact NH1-O 3.02Å; T293-G295 PolarHBondContact O-N 2.75Å; T293-G295 VanDerWaalsContact O-N 3.07Å |
| 296 | L | 94.3 | Very high | 93 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | trans | -86.8 | 166.6 | 172.9 | -59.1 | -171.6 | 0 | 0 | 0 | 112.6 | R264 L265 L292 T293 E294 T300 I304 | R264-L296 HydrophobicContact CB-CD2 3.52Å; L265-L296 HydrophobicContact CB-CD1 4.07Å; L265-L296 HydrophobicContact CB-CD2 4.36Å; L265-L296 HydrophobicContact CD1-CD1 4.07Å; L265-L296 HydrophobicContact CD2-CD1 4.32Å; L265-L296 HydrophobicContact CG-CD1 4.38Å; L292-L296 WeakPolarHBondContact O-CD1 3.49Å; T293-L296 PolarHBondContact O-N 3.18Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.04Å; L296-T300 HydrophobicContact CB-CG2 4.26Å; L296-T300 HydrophobicContact CD1-CG2 3.69Å; L296-T300 HydrophobicContact CG-CG2 4.49Å; L296-I304 HydrophobicContact CD1-CD1 3.88Å | ||
| 297 | S | 93.7 | Very high | 93 | Very high | 43 Ų | 43 | 39 Ų | 39 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | trans | -70.2 | 156 | 173.1 | 74 | 0 | 0 | 0 | 0 | 111.1 | E261 N299 T300 S301 | E261-S297 WeakPolarHBondContact OE1-CB 3.31Å; E261-S297 PolarHBondContact OE1-OG 3.11Å; S297-N299 PolarHBondContact O-N 3.47Å; S297-T300 PolarHBondContact O-N 3.33Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-T300 PolarHBondContact OG-N 3.36Å; S297-T300 PolarHBondContact OG-OG1 3.49Å; S297-S301 PolarHBondContact O-N 2.95Å; S297-S301 PolarHBondContact O-OG 3.03Å; S297-S301 VanDerWaalsContact O-OG 3.1Å | ||
| 298 | Q | 92.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 176.4 | -170.6 | 59.7 | 66.9 | 0 | 0 | 112.4 | S301 N302 I316 | Q298-S301 PolarHBondContact O-N 3.43Å; Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 3.33Å; Q298-N302 PolarHBondContact O-ND2 3.13Å; Q298-N302 PolarHBondContact O-OD1 3.17Å; Q298-I316 VanDerWaalsContact NE2-CD1 3.29Å; Q298-I316 VanDerWaalsContact NE2-CG1 3.31Å |
| 299 | N | 92.8 | Very high | 92.8 | Very high | 117 Ų | 117 | 43.8 Ų | 43.8 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.8 | -44.1 | 177.5 | -68.3 | 49.8 | 0 | 0 | 0 | 111.6 | S297 L303 | S297-N299 PolarHBondContact O-N 3.47Å; N299-L303 PolarHBondContact O-N 3.41Å; N299-L303 VanDerWaalsContact O-N 3.14Å |
| 300 | T | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.9 | -40.9 | 177.2 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | L257 E261 L296 S297 N302 L303 I304 | L257-T300 HydrophobicContact CD2-CG2 3.68Å; L257-T300 WeakPolarHBondContact CD2-OG1 3.48Å; E261-T300 VanDerWaalsContact CD-OG1 3.31Å; E261-T300 WeakPolarHBondContact OE1-CB 3.37Å; E261-T300 PolarHBondContact OE1-OG1 2.97Å; L296-T300 HydrophobicContact CB-CG2 4.26Å; L296-T300 HydrophobicContact CD1-CG2 3.69Å; L296-T300 HydrophobicContact CG-CG2 4.49Å; S297-T300 PolarHBondContact O-N 3.33Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-T300 PolarHBondContact OG-N 3.36Å; S297-T300 PolarHBondContact OG-OG1 3.49Å; T300-N302 VanDerWaalsContact C-N 3.3Å; T300-N302 PolarHBondContact O-N 2.94Å; T300-L303 WeakPolarHBondContact O-CB 3.49Å; T300-L303 PolarHBondContact O-N 3Å; T300-L303 VanDerWaalsContact O-N 3.07Å; T300-I304 HydrophobicContact CG2-CG1 4.45Å; T300-I304 WeakPolarHBondContact O-CG1 3.44Å; T300-I304 PolarHBondContact O-N 3.02Å |
| 301 | S | 94 | Very high | 92.6 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 174.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | S297 Q298 I304 A305 | S297-S301 PolarHBondContact O-N 2.95Å; S297-S301 PolarHBondContact O-OG 3.03Å; S297-S301 VanDerWaalsContact O-OG 3.1Å; Q298-S301 PolarHBondContact O-N 3.43Å; S301-I304 PolarHBondContact O-N 2.97Å; S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.79Å |
| 302 | N | 92.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 173.8 | -68.4 | -9 | 0 | 0 | 0 | 112.1 | Q298 T300 A305 N306 | Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 3.33Å; Q298-N302 PolarHBondContact O-ND2 3.13Å; Q298-N302 PolarHBondContact O-OD1 3.17Å; T300-N302 VanDerWaalsContact C-N 3.3Å; T300-N302 PolarHBondContact O-N 2.94Å; N302-A305 PolarHBondContact O-N 3.46Å; N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 PolarHBondContact O-N 3.11Å; N302-N306 PolarHBondContact O-ND2 3.23Å |
| 303 | L | 92.3 | Very high | 92.2 | Very high | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.7 | 178.1 | 63.4 | 0 | 0 | 0 | 110.9 | Q255 L257 N299 T300 N306 T307 | Q255-L303 HydrophobicContact CG-CD2 4.41Å; L257-L303 HydrophobicContact CD2-CD2 4.4Å; N299-L303 PolarHBondContact O-N 3.41Å; N299-L303 VanDerWaalsContact O-N 3.14Å; T300-L303 WeakPolarHBondContact O-CB 3.49Å; T300-L303 PolarHBondContact O-N 3Å; T300-L303 VanDerWaalsContact O-N 3.07Å; L303-N306 PolarHBondContact O-N 3.39Å; L303-T307 PolarHBondContact O-N 3.46Å; L303-T307 PolarHBondContact O-OG1 2.93Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å |
| 304 | I | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.5 | -44.3 | -142.9 | 0 | 0 | 0 | 111 | T250 L265 L292 T293 L296 T300 S301 N306 T307 L308 | T250-I304 HydrophobicContact CG2-CB 3.99Å; T250-I304 HydrophobicContact CG2-CD1 3.97Å; T250-I304 HydrophobicContact CG2-CG1 3.81Å; T250-I304 HydrophobicContact CG2-CG2 3.87Å; L265-I304 HydrophobicContact CD1-CD1 3.62Å; L265-I304 HydrophobicContact CD2-CD1 3.74Å; L265-I304 HydrophobicContact CG-CD1 4.36Å; L292-I304 HydrophobicContact CB-CD1 4.16Å; L292-I304 HydrophobicContact CB-CG2 4.44Å; L292-I304 HydrophobicContact CD1-CG2 4.29Å; T293-I304 HydrophobicContact CG2-CB 3.75Å; T293-I304 HydrophobicContact CG2-CD1 3.74Å; T293-I304 HydrophobicContact CG2-CG1 3.75Å; T293-I304 HydrophobicContact CG2-CG2 4.1Å; L296-I304 HydrophobicContact CD1-CD1 3.88Å; T300-I304 HydrophobicContact CG2-CG1 4.45Å; T300-I304 WeakPolarHBondContact O-CG1 3.44Å; T300-I304 PolarHBondContact O-N 3.02Å; S301-I304 PolarHBondContact O-N 2.97Å; I304-N306 VanDerWaalsContact C-N 3.31Å; I304-N306 PolarHBondContact O-N 3.4Å; I304-T307 PolarHBondContact O-N 2.86Å; I304-L308 HydrophobicContact CG2-CD1 3.84Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 PolarHBondContact O-N 3.49Å |
| 305 | A | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S301 N302 L308 Q309 I310 P312 L315 | S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.79Å; N302-A305 PolarHBondContact O-N 3.46Å; A305-L308 CarbonylContact O-C 3.51Å; A305-L308 PolarHBondContact O-N 2.91Å; A305-Q309 PolarHBondContact O-N 3.17Å; A305-I310 HydrophobicContact CB-CB 4.48Å; A305-I310 PolarHBondContact O-N 3.26Å; A305-P312 HydrophobicContact CB-CB 4.14Å; A305-L315 HydrophobicContact CB-CD2 3.96Å |
| 306 | N | 90.9 | Very high | 91.7 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 176 | -67.7 | -16.7 | 0 | 0 | 0 | 112.3 | N302 L303 I304 L308 Q309 | N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 PolarHBondContact O-N 3.11Å; N302-N306 PolarHBondContact O-ND2 3.23Å; L303-N306 PolarHBondContact O-N 3.39Å; I304-N306 VanDerWaalsContact C-N 3.31Å; I304-N306 PolarHBondContact O-N 3.4Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 3.07Å; N306-Q309 PolarHBondContact O-N 2.96Å |
| 307 | T | 90.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | T250 L303 I304 | T250-T307 HydrophobicContact CG2-CG2 4.31Å; L303-T307 PolarHBondContact O-N 3.46Å; L303-T307 PolarHBondContact O-OG1 2.93Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å; I304-T307 PolarHBondContact O-N 2.86Å |
| 308 | L | 90.7 | Very high | 91.1 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.3 | 179.5 | -64.7 | 178.2 | 0 | 0 | 0 | 113.9 | M288 A289 L292 I304 A305 N306 I310 | M288-L308 HydrophobicContact CG-CD1 4.32Å; M288-L308 HydrophobicContact SD-CD2 4.37Å; A289-L308 HydrophobicContact CB-CD1 3.75Å; L292-L308 HydrophobicContact CD1-CD1 4.47Å; I304-L308 HydrophobicContact CG2-CD1 3.84Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 PolarHBondContact O-N 3.49Å; A305-L308 CarbonylContact O-C 3.51Å; A305-L308 PolarHBondContact O-N 2.91Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 3.07Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 HydrophobicContact CB-CD1 3.61Å; L308-I310 HydrophobicContact CB-CG1 4.32Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.48Å |
| 309 | Q | 91.4 | Very high | 90.8 | Very high | 180 Ų | 180 | 60.2 Ų | 60.2 | 84% | 0.841 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.8 | 179.5 | -53.1 | -178.3 | 11.7 | 0 | 0 | 114.8 | A305 N306 | A305-Q309 PolarHBondContact O-N 3.17Å; N306-Q309 PolarHBondContact O-N 2.96Å |
| 310 | I | 90.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | trans | -102.7 | 138.6 | -179 | -66.9 | 153.3 | 0 | 0 | 0 | 110 | P285 L286 A289 A305 L308 P312 L315 | P285-I310 HydrophobicContact CB-CD1 4.28Å; P285-I310 WeakPolarHBondContact O-CD1 3.49Å; L286-I310 HydrophobicContact CD1-CG2 4.04Å; A289-I310 HydrophobicContact CB-CD1 3.4Å; A305-I310 HydrophobicContact CB-CB 4.48Å; A305-I310 PolarHBondContact O-N 3.26Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 HydrophobicContact CB-CD1 3.61Å; L308-I310 HydrophobicContact CB-CG1 4.32Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.48Å; I310-P312 WeakPolarHBondContact O-CD 3.41Å; I310-L315 HydrophobicContact CG2-CB 4.36Å | ||
| 311 | N | 90.8 | Very high | 89.7 | Confident | 86 Ų | 86 | 67.9 Ų | 67.9 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | trans | -65.1 | 118 | 172.5 | -175.4 | -31.8 | 0 | 0 | 0 | 109.8 | R313 I314 L315 | N311-R313 PolarHBondContact O-N 2.9Å; N311-R313 VanDerWaalsContact O-N 3.1Å; N311-R313 WeakPolarHBondContact OD1-CB 3.39Å; N311-R313 PolarHBondContact OD1-N 3.4Å; N311-I314 HydrophobicContact CB-CD1 3.97Å; N311-I314 HydrophobicContact CB-CG1 4.09Å; N311-I314 PolarHBondContact O-N 3.31Å; N311-L315 PolarHBondContact O-N 3.32Å | ||
| 312 | P | 89.6 | Confident | 88.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 25% | 0.253 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -26.3 | -174.2 | 23.4 | -33.9 | 0 | 0 | 0 | 113 | A305 I310 I314 L315 I316 | A305-P312 HydrophobicContact CB-CB 4.14Å; I310-P312 WeakPolarHBondContact O-CD 3.41Å; P312-I314 VanDerWaalsContact C-N 3.34Å; P312-I314 PolarHBondContact O-N 2.92Å; P312-L315 PolarHBondContact O-N 3.04Å; P312-I316 VanDerWaalsContact O-CD1 3.3Å; P312-I316 WeakPolarHBondContact O-CD1 3.37Å; P312-I316 WeakPolarHBondContact O-CG1 3.49Å; P312-I316 PolarHBondContact O-N 3.02Å |
| 313 | R | 91.1 | Very high | 87.5 | Confident | 202 Ų | 202 | 76.1 Ų | 76.1 | 76% | 0.762 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 175.7 | -65.8 | -175.8 | 177.7 | 171.3 | 0.1 | 112.3 | N311 Q317 | N311-R313 PolarHBondContact O-N 2.9Å; N311-R313 VanDerWaalsContact O-N 3.1Å; N311-R313 WeakPolarHBondContact OD1-CB 3.39Å; N311-R313 PolarHBondContact OD1-N 3.4Å; R313-Q317 WeakPolarHBondContact O-CB 3.43Å; R313-Q317 PolarHBondContact O-N 3.4Å; R313-Q317 VanDerWaalsContact O-N 3.09Å |
| 314 | I | 89.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 78 Ų | 78 | 41% | 0.41 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 178.3 | -59.4 | 178.7 | 0 | 0 | 0 | 109.4 | L286 N311 P312 I316 Q317 L318 | L286-I314 HydrophobicContact CD1-CG2 4.25Å; L286-I314 HydrophobicContact CD2-CG2 4.43Å; N311-I314 HydrophobicContact CB-CD1 3.97Å; N311-I314 HydrophobicContact CB-CG1 4.09Å; N311-I314 PolarHBondContact O-N 3.31Å; P312-I314 VanDerWaalsContact C-N 3.34Å; P312-I314 PolarHBondContact O-N 2.92Å; I314-I316 PolarHBondContact O-N 3.45Å; I314-Q317 PolarHBondContact O-N 2.8Å; I314-L318 HydrophobicContact CG2-CD1 4.11Å; I314-L318 WeakPolarHBondContact O-CD1 3.48Å; I314-L318 PolarHBondContact O-N 3.02Å |
| 315 | L | 89.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59 | -48 | 179.3 | -176.3 | 61.7 | 0 | 0 | 0 | 112 | A289 I290 T293 A305 I310 N311 P312 Q317 L318 Q319 | A289-L315 HydrophobicContact CB-CD1 3.89Å; A289-L315 HydrophobicContact CB-CD2 4.24Å; I290-L315 HydrophobicContact CB-CD1 4.46Å; I290-L315 HydrophobicContact CG1-CD1 3.64Å; T293-L315 HydrophobicContact CG2-CD2 4.14Å; A305-L315 HydrophobicContact CB-CD2 3.96Å; I310-L315 HydrophobicContact CG2-CB 4.36Å; N311-L315 PolarHBondContact O-N 3.32Å; P312-L315 PolarHBondContact O-N 3.04Å; L315-Q317 VanDerWaalsContact C-N 3.31Å; L315-Q317 PolarHBondContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 2.89Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 3.47Å |
| 316 | I | 89.2 | Confident | 83.2 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.7 | -64.6 | 160.5 | 0 | 0 | 0 | 111.2 | Q298 P312 I314 Q319 R320 | Q298-I316 VanDerWaalsContact NE2-CD1 3.29Å; Q298-I316 VanDerWaalsContact NE2-CG1 3.31Å; P312-I316 VanDerWaalsContact O-CD1 3.3Å; P312-I316 WeakPolarHBondContact O-CD1 3.37Å; P312-I316 WeakPolarHBondContact O-CG1 3.49Å; P312-I316 PolarHBondContact O-N 3.02Å; I314-I316 PolarHBondContact O-N 3.45Å; I316-Q319 PolarHBondContact O-N 3.29Å; I316-R320 WeakPolarHBondContact O-CG 3.46Å; I316-R320 PolarHBondContact O-N 3.04Å |
| 317 | Q | 88.4 | Confident | 82.1 | Confident | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | -179.7 | -177.4 | 170.7 | -17.3 | 0 | 0 | 111.7 | R313 I314 L315 R320 Q321 | R313-Q317 WeakPolarHBondContact O-CB 3.43Å; R313-Q317 PolarHBondContact O-N 3.4Å; R313-Q317 VanDerWaalsContact O-N 3.09Å; I314-Q317 PolarHBondContact O-N 2.8Å; L315-Q317 VanDerWaalsContact C-N 3.31Å; L315-Q317 PolarHBondContact O-N 3.09Å; Q317-R320 PolarHBondContact O-N 3.11Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.74Å; Q317-Q321 VanDerWaalsContact O-N 3.14Å |
| 318 | L | 86.9 | Confident | 81 | Confident | 48 Ų | 48 | 89 Ų | 89 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 177.5 | -88.7 | 68.4 | 0 | 0 | 0 | 112 | L286 I290 I314 L315 R320 Q321 Q322 | L286-L318 HydrophobicContact CD2-CD2 3.98Å; L286-L318 HydrophobicContact CG-CD2 4.33Å; I290-L318 HydrophobicContact CD1-CB 4.08Å; I290-L318 HydrophobicContact CD1-CD2 3.66Å; I314-L318 HydrophobicContact CG2-CD1 4.11Å; I314-L318 WeakPolarHBondContact O-CD1 3.48Å; I314-L318 PolarHBondContact O-N 3.02Å; L315-L318 PolarHBondContact O-N 2.89Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.39Å; L318-Q321 WeakPolarHBondContact O-CB 3.26Å; L318-Q321 PolarHBondContact O-N 3.44Å; L318-Q322 PolarHBondContact O-N 3.05Å |
| 319 | Q | 87.2 | Confident | 79.9 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 14% | 0.136 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 172.8 | -76.1 | 177.3 | -18.2 | 0 | 0 | 112.1 | T293 L315 I316 Q321 Q322 Q323 | T293-Q319 PolarHBondContact OG1-NE2 3.25Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 3.47Å; I316-Q319 PolarHBondContact O-N 3.29Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q319-Q321 PolarHBondContact O-N 3.32Å; Q319-Q322 PolarHBondContact O-N 3.36Å; Q319-Q323 WeakPolarHBondContact O-CG 3.43Å; Q319-Q323 PolarHBondContact O-N 3.12Å |
| 320 | R | 83.4 | Confident | 78.8 | Confident | 179 Ų | 179 | 90.2 Ų | 90.2 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.9 | -36.3 | 177.4 | -74 | -178.5 | 68.8 | -154.2 | -0.8 | 112.5 | I316 Q317 L318 Q323 S324 | I316-R320 WeakPolarHBondContact O-CG 3.46Å; I316-R320 PolarHBondContact O-N 3.04Å; Q317-R320 PolarHBondContact O-N 3.11Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.39Å; R320-Q323 PolarHBondContact O-N 3.04Å; R320-S324 PolarHBondContact O-N 3.46Å |
| 321 | Q | 80 | Confident | 77.9 | Confident | 105 Ų | 105 | 93.7 Ų | 93.7 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.8 | -72.8 | 172.7 | -13.5 | 0 | 0 | 111.2 | Q317 L318 Q319 Q323 S324 S325 | Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.74Å; Q317-Q321 VanDerWaalsContact O-N 3.14Å; L318-Q321 WeakPolarHBondContact O-CB 3.26Å; L318-Q321 PolarHBondContact O-N 3.44Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q319-Q321 PolarHBondContact O-N 3.32Å; Q321-Q323 VanDerWaalsContact C-N 3.33Å; Q321-Q323 PolarHBondContact O-N 2.91Å; Q321-S324 PolarHBondContact O-N 3.48Å; Q321-S324 VanDerWaalsContact O-N 3.09Å; Q321-S324 PolarHBondContact O-OG 3.45Å; Q321-S325 PolarHBondContact O-N 3.02Å; Q321-S325 PolarHBondContact O-OG 3.15Å |
| 322 | Q | 72.4 | Confident | 77.2 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 177 | -68.3 | -174 | -2.7 | 0 | 0 | 113.6 | L318 Q319 S325 S326 | L318-Q322 PolarHBondContact O-N 3.05Å; Q319-Q322 PolarHBondContact O-N 3.36Å; Q322-S325 WeakPolarHBondContact CA-OG 3.24Å; Q322-S325 PolarHBondContact O-OG 3.18Å; Q322-S326 PolarHBondContact O-N 3.44Å; Q322-S326 VanDerWaalsContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 2.96Å |
| 323 | Q | 68.3 | Low | 76.4 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.2 | -34.7 | 172.8 | -70.9 | 175 | 4.6 | 0 | 0 | 112.3 | Q319 R320 Q321 S326 F327 | Q319-Q323 WeakPolarHBondContact O-CG 3.43Å; Q319-Q323 PolarHBondContact O-N 3.12Å; R320-Q323 PolarHBondContact O-N 3.04Å; Q321-Q323 VanDerWaalsContact C-N 3.33Å; Q321-Q323 PolarHBondContact O-N 2.91Å; Q323-S326 PolarHBondContact O-OG 3.49Å; Q323-F327 WeakPolarHBondContact O-CB 3.41Å; Q323-F327 PolarHBondContact O-N 2.88Å; Q323-F327 VanDerWaalsContact O-N 3.08Å |
| 324 | S | 63.4 | Low | 75.7 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 176 | 71 | 0 | 0 | 0 | 0 | 112.5 | R320 Q321 L328 | R320-S324 PolarHBondContact O-N 3.46Å; Q321-S324 PolarHBondContact O-N 3.48Å; Q321-S324 VanDerWaalsContact O-N 3.09Å; Q321-S324 PolarHBondContact O-OG 3.45Å; S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 WeakPolarHBondContact O-CG 3.39Å; S324-L328 PolarHBondContact O-N 3.26Å; S324-L328 VanDerWaalsContact O-N 3.07Å |
| 325 | S | 62.3 | Low | 75.1 | Confident | 64 Ų | 64 | 94.2 Ų | 94.2 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 176 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | Q321 Q322 L328 Q329 | Q321-S325 PolarHBondContact O-N 3.02Å; Q321-S325 PolarHBondContact O-OG 3.15Å; Q322-S325 WeakPolarHBondContact CA-OG 3.24Å; Q322-S325 PolarHBondContact O-OG 3.18Å; S325-L328 PolarHBondContact O-N 3.36Å; S325-Q329 VanDerWaalsContact O-CB 3.29Å; S325-Q329 WeakPolarHBondContact O-CB 3.34Å; S325-Q329 PolarHBondContact O-N 3.13Å |
| 326 | S | 62.1 | Low | 74.5 | Confident | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | Q322 Q323 H330 | Q322-S326 PolarHBondContact O-N 3.44Å; Q322-S326 VanDerWaalsContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 2.96Å; Q323-S326 PolarHBondContact O-OG 3.49Å; S326-H330 VanDerWaalsContact O-CB 3.3Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 2.97Å |
| 327 | F | 66.9 | Low | 73.8 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 66% | 0.658 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 173.1 | -175.2 | -96.9 | 0 | 0 | 0 | 112.3 | Q323 H330 H331 | Q323-F327 WeakPolarHBondContact O-CB 3.41Å; Q323-F327 PolarHBondContact O-N 2.88Å; Q323-F327 VanDerWaalsContact O-N 3.08Å; F327-H330 PolarHBondContact O-N 3.25Å; F327-H331 WeakPolarHBondContact O-CB 3.45Å; F327-H331 PolarHBondContact O-N 2.96Å |
| 328 | L | 68.6 | Low | 73.2 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176.2 | -74.9 | 168.8 | 0 | 0 | 0 | 111.9 | S324 S325 H331 H332 | S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 WeakPolarHBondContact O-CG 3.39Å; S324-L328 PolarHBondContact O-N 3.26Å; S324-L328 VanDerWaalsContact O-N 3.07Å; S325-L328 PolarHBondContact O-N 3.36Å; L328-H331 PolarHBondContact O-N 3.5Å; L328-H332 WeakPolarHBondContact O-CB 3.49Å; L328-H332 PolarHBondContact O-N 3.12Å |
| 329 | Q | 66.5 | Low | 72.6 | Confident | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -47.4 | 176.9 | -170.9 | 168.8 | 18.1 | 0 | 0 | 111.4 | S325 H331 H332 E333 | S325-Q329 VanDerWaalsContact O-CB 3.29Å; S325-Q329 WeakPolarHBondContact O-CB 3.34Å; S325-Q329 PolarHBondContact O-N 3.13Å; Q329-H331 VanDerWaalsContact C-N 3.33Å; Q329-H331 PolarHBondContact O-N 2.9Å; Q329-H332 PolarHBondContact O-N 3.03Å; Q329-E333 WeakPolarHBondContact O-CB 3.32Å; Q329-E333 PolarHBondContact O-N 2.98Å |
| 330 | H | 69.2 | Low | 72 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 179.8 | -161.5 | -21.8 | 0 | 0 | 0 | 112.5 | S326 F327 Q334 | S326-H330 VanDerWaalsContact O-CB 3.3Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 2.97Å; F327-H330 PolarHBondContact O-N 3.25Å; H330-Q334 PolarHBondContact CE1-NE2 3.32Å; H330-Q334 PolarHBondContact ND1-NE2 3Å; H330-Q334 WeakPolarHBondContact O-CG 3.34Å; H330-Q334 PolarHBondContact O-N 3Å |
| 331 | H | 71.5 | Confident | 71.4 | Confident | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.44 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 173.4 | -176 | -101 | 0 | 0 | 0 | 111.8 | F327 L328 Q329 Q334 Q335 | F327-H331 WeakPolarHBondContact O-CB 3.45Å; F327-H331 PolarHBondContact O-N 2.96Å; L328-H331 PolarHBondContact O-N 3.5Å; Q329-H331 VanDerWaalsContact C-N 3.33Å; Q329-H331 PolarHBondContact O-N 2.9Å; H331-Q334 PolarHBondContact O-N 3.39Å; H331-Q335 PolarHBondContact CE1-NE2 3Å; H331-Q335 WeakPolarHBondContact O-CG 3.31Å; H331-Q335 PolarHBondContact O-N 3.12Å |
| 332 | H | 75.7 | Confident | 70.8 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.1 | -172.6 | 59.7 | 0 | 0 | 0 | 111.9 | L328 Q329 Q335 Q336 | L328-H332 WeakPolarHBondContact O-CB 3.49Å; L328-H332 PolarHBondContact O-N 3.12Å; Q329-H332 PolarHBondContact O-N 3.03Å; H332-Q335 PolarHBondContact O-N 2.94Å; H332-Q336 PolarHBondContact CD2-NE2 2.83Å; H332-Q336 VanDerWaalsContact CD2-NE2 3.3Å; H332-Q336 PolarHBondContact NE2-NE2 3.08Å; H332-Q336 WeakPolarHBondContact O-CG 3.39Å; H332-Q336 PolarHBondContact O-N 2.84Å |
| 333 | E | 72.2 | Confident | 70.4 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 178.1 | -165.3 | 167.2 | -151.5 | 0 | 0 | 112.2 | Q329 Q336 Q337 | Q329-E333 WeakPolarHBondContact O-CB 3.32Å; Q329-E333 PolarHBondContact O-N 2.98Å; E333-Q336 PolarHBondContact O-N 3.37Å; E333-Q337 WeakPolarHBondContact O-CG 3.39Å; E333-Q337 PolarHBondContact O-N 2.79Å |
| 334 | Q | 76.6 | Confident | 69.9 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 169.6 | -77.6 | -175.1 | 30.5 | 0 | 0 | 112.3 | H330 H331 Q337 H338 | H330-Q334 PolarHBondContact CE1-NE2 3.32Å; H330-Q334 PolarHBondContact ND1-NE2 3Å; H330-Q334 WeakPolarHBondContact O-CG 3.34Å; H330-Q334 PolarHBondContact O-N 3Å; H331-Q334 PolarHBondContact O-N 3.39Å; Q334-Q337 PolarHBondContact O-N 2.74Å; Q334-H338 WeakPolarHBondContact O-CB 3.37Å; Q334-H338 PolarHBondContact O-N 3.49Å |
| 335 | Q | 76.8 | Confident | 69.7 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.5 | -75.8 | -173.8 | -7.8 | 0 | 0 | 112.2 | H331 H332 H338 Q339 | H331-Q335 PolarHBondContact CE1-NE2 3Å; H331-Q335 WeakPolarHBondContact O-CG 3.31Å; H331-Q335 PolarHBondContact O-N 3.12Å; H332-Q335 PolarHBondContact O-N 2.94Å; Q335-H338 PolarHBondContact O-N 3.4Å; Q335-Q339 WeakPolarHBondContact O-CG 3.29Å; Q335-Q339 PolarHBondContact O-N 3.14Å |
| 336 | Q | 76.2 | Confident | 69.4 | Low | 88 Ų | 88 | 106.3 Ų | 106.3 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.1 | -72.3 | -170.2 | 32.1 | 0 | 0 | 111.9 | H332 E333 H338 Q339 Q340 | H332-Q336 PolarHBondContact CD2-NE2 2.83Å; H332-Q336 VanDerWaalsContact CD2-NE2 3.3Å; H332-Q336 PolarHBondContact NE2-NE2 3.08Å; H332-Q336 WeakPolarHBondContact O-CG 3.39Å; H332-Q336 PolarHBondContact O-N 2.84Å; E333-Q336 PolarHBondContact O-N 3.37Å; Q336-H338 VanDerWaalsContact C-N 3.31Å; Q336-H338 PolarHBondContact O-N 2.57Å; Q336-Q339 PolarHBondContact O-N 3.46Å; Q336-Q340 WeakPolarHBondContact O-CG 3.33Å; Q336-Q340 PolarHBondContact O-N 2.95Å |
| 337 | Q | 75.8 | Confident | 69 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 176 | -70.8 | 176.6 | 22.6 | 0 | 0 | 111.9 | E333 Q334 Q340 Q341 | E333-Q337 WeakPolarHBondContact O-CG 3.39Å; E333-Q337 PolarHBondContact O-N 2.79Å; Q334-Q337 PolarHBondContact O-N 2.74Å; Q337-Q340 PolarHBondContact O-N 2.86Å; Q337-Q341 WeakPolarHBondContact O-CG 3.43Å; Q337-Q341 PolarHBondContact O-N 3.12Å |
| 338 | H | 75.3 | Confident | 68.5 | Low | 119 Ų | 119 | 108.4 Ų | 108.4 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.2 | -30.2 | 177.5 | -154.3 | 68.4 | 0 | 0 | 0 | 112.8 | Q334 Q335 Q336 Q342 | Q334-H338 WeakPolarHBondContact O-CB 3.37Å; Q334-H338 PolarHBondContact O-N 3.49Å; Q335-H338 PolarHBondContact O-N 3.4Å; Q336-H338 VanDerWaalsContact C-N 3.31Å; Q336-H338 PolarHBondContact O-N 2.57Å; H338-Q342 PolarHBondContact CD2-NE2 3Å; H338-Q342 WeakPolarHBondContact O-CG 3.35Å; H338-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact O-NE2 2.8Å |
| 339 | Q | 74.7 | Confident | 67.7 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71 | -42.9 | 170.3 | -74.2 | -177.4 | 16.2 | 0 | 0 | 112.1 | Q335 Q336 Q341 Q342 Q343 | Q335-Q339 WeakPolarHBondContact O-CG 3.29Å; Q335-Q339 PolarHBondContact O-N 3.14Å; Q336-Q339 PolarHBondContact O-N 3.46Å; Q339-Q341 PolarHBondContact O-N 2.84Å; Q339-Q342 PolarHBondContact O-N 3.46Å; Q339-Q343 WeakPolarHBondContact O-CG 3.49Å; Q339-Q343 PolarHBondContact O-N 2.99Å |
| 340 | Q | 74.3 | Confident | 66.9 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 177.5 | -71.8 | 175.1 | 31.6 | 0 | 0 | 112.1 | Q336 Q337 Q343 S344 | Q336-Q340 WeakPolarHBondContact O-CG 3.33Å; Q336-Q340 PolarHBondContact O-N 2.95Å; Q337-Q340 PolarHBondContact O-N 2.86Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q340-S344 PolarHBondContact O-N 3.46Å; Q340-S344 PolarHBondContact O-OG 3.41Å |
| 341 | Q | 71.5 | Confident | 65.9 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.9 | -42.7 | 174.3 | -73.2 | 179.8 | 16.4 | 0 | 0 | 112.1 | Q337 Q339 Q343 S344 I345 | Q337-Q341 WeakPolarHBondContact O-CG 3.43Å; Q337-Q341 PolarHBondContact O-N 3.12Å; Q339-Q341 PolarHBondContact O-N 2.84Å; Q341-Q343 PolarHBondContact O-N 3.33Å; Q341-S344 PolarHBondContact O-N 3.41Å; Q341-S344 PolarHBondContact O-OG 3.38Å; Q341-I345 WeakPolarHBondContact O-CD1 3.43Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.45Å; Q341-I345 PolarHBondContact O-N 3Å |
| 342 | Q | 67.3 | Low | 64.7 | Low | 98 Ų | 98 | 114 Ų | 114 | 46% | 0.458 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.1 | -36.2 | 176.2 | -75.7 | 171.6 | 91 | 0 | 0 | 112.9 | H338 Q339 I345 N346 | H338-Q342 PolarHBondContact CD2-NE2 3Å; H338-Q342 WeakPolarHBondContact O-CG 3.35Å; H338-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact O-NE2 2.8Å; Q339-Q342 PolarHBondContact O-N 3.46Å; Q342-I345 PolarHBondContact O-N 3.36Å; Q342-N346 PolarHBondContact O-N 3.09Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.41Å |
| 343 | Q | 62.3 | Low | 63.4 | Low | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -46.6 | 173.8 | -72.3 | 173.2 | 3.5 | 0 | 0 | 111.3 | Q339 Q340 Q341 I345 N346 E347 | Q339-Q343 WeakPolarHBondContact O-CG 3.49Å; Q339-Q343 PolarHBondContact O-N 2.99Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q341-Q343 PolarHBondContact O-N 3.33Å; Q343-I345 VanDerWaalsContact C-N 3.29Å; Q343-I345 PolarHBondContact O-N 2.92Å; Q343-N346 PolarHBondContact O-N 2.92Å; Q343-N346 VanDerWaalsContact O-N 3.16Å; Q343-E347 PolarHBondContact O-N 3.37Å |
| 344 | S | 59.4 | Low | 62 | Low | 61 Ų | 61 | 119 Ų | 119 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.7 | -32.3 | 176.3 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | Q340 Q341 S348 | Q340-S344 PolarHBondContact O-N 3.46Å; Q340-S344 PolarHBondContact O-OG 3.41Å; Q341-S344 PolarHBondContact O-N 3.41Å; Q341-S344 PolarHBondContact O-OG 3.38Å; S344-S348 WeakPolarHBondContact O-CB 3.39Å; S344-S348 PolarHBondContact O-N 3.07Å; S344-S348 PolarHBondContact O-OG 3.46Å |
| 345 | I | 59 | Low | 60.5 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.7 | -38.8 | 176 | -69.4 | 163.9 | 0 | 0 | 0 | 110.7 | Q341 Q342 Q343 S348 | Q341-I345 WeakPolarHBondContact O-CD1 3.43Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.45Å; Q341-I345 PolarHBondContact O-N 3Å; Q342-I345 PolarHBondContact O-N 3.36Å; Q343-I345 VanDerWaalsContact C-N 3.29Å; Q343-I345 PolarHBondContact O-N 2.92Å; I345-S348 PolarHBondContact O-N 3.18Å |
| 346 | N | 56.5 | Low | 59.2 | Low | 105 Ų | 105 | 124.5 Ų | 124.5 | 56% | 0.561 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.1 | -33.1 | 179.7 | -70.8 | -18.5 | 0 | 0 | 0 | 113.4 | Q342 Q343 S348 S349 N350 | Q342-N346 PolarHBondContact O-N 3.09Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.41Å; Q343-N346 PolarHBondContact O-N 2.92Å; Q343-N346 VanDerWaalsContact O-N 3.16Å; N346-S348 VanDerWaalsContact C-N 3.33Å; N346-S349 PolarHBondContact O-N 3.21Å; N346-N350 PolarHBondContact O-ND2 3.05Å |
| 347 | E | 53.5 | Low | 57.7 | Low | 157 Ų | 157 | 127.9 Ų | 127.9 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.8 | -31.3 | 172.2 | -71.3 | -177 | 167.3 | 0 | 0 | 111.8 | Q343 S349 | Q343-E347 PolarHBondContact O-N 3.37Å; E347-S349 PolarHBondContact O-N 3.43Å |
| 348 | S | 55 | Low | 56.2 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -9.6 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | S344 I345 N346 | S344-S348 WeakPolarHBondContact O-CB 3.39Å; S344-S348 PolarHBondContact O-N 3.07Å; S344-S348 PolarHBondContact O-OG 3.46Å; I345-S348 PolarHBondContact O-N 3.18Å; N346-S348 VanDerWaalsContact C-N 3.33Å |
| 349 | S | 52.5 | Low | 54.6 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 2.8 | -172.8 | -169.6 | 0 | 0 | 0 | 0 | 114.9 | N346 E347 | N346-S349 PolarHBondContact O-N 3.21Å; E347-S349 PolarHBondContact O-N 3.43Å |
| 350 | N | 49.2 | Very low | 53.1 | Low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -120.3 | 26.5 | -172.6 | -73.3 | -67.1 | 0 | 0 | 0 | 114 | N346 | N346-N350 PolarHBondContact O-ND2 3.05Š|
| 351 | H | 48.8 | Very low | 51.5 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | trans | -139.1 | 52.2 | -177.5 | -117.4 | 40.5 | 0 | 0 | 0 | 113.5 | ||||
| 352 | D | 45.6 | Very low | 50 | Low | 160 Ų | 160 | 131.6 Ų | 131.6 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -155 | 58.6 | 168 | -129.9 | -11.1 | 0 | 0 | 0 | 112.5 | ||
| 353 | Q | 49.7 | Very low | 48.9 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | trans | -165.4 | 83.2 | 166.9 | -120.5 | 163 | 80.8 | 0 | 0 | 111.6 | ||||
| 354 | S | 42.3 | Very low | 47.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -139.6 | 71.1 | 172.2 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 355 | D | 44.8 | Very low | 47.1 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -159.1 | 145.4 | 155.4 | -100.2 | -37.6 | 0 | 0 | 0 | 110 | ||||
| 356 | H | 49.8 | Very low | 46.3 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 61.4 | 104.3 | -174.5 | -53.7 | -40.2 | 0 | 0 | 0 | 115.4 | ||||
| 357 | N | 45.3 | Very low | 45.5 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | -165.6 | 167.9 | 65.5 | -97 | -53.8 | 0 | 0 | 0 | 114.2 | |||||
| 358 | Q | 43.5 | Very low | 45 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 149.7 | -179.7 | -59.9 | 167.7 | 3.5 | 0 | 0 | 112.6 | ||||
| 359 | S | 42.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 132.3 | 123.6 | 123.8 | 72.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 360 | L | 42.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 122 | 138.4 | -64.3 | 165.1 | 0 | 0 | 0 | 122 | ||||
| 361 | S | 41.2 | Very low | 43.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 71.2 | 151.5 | 142.6 | 72.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 362 | S | 40.5 | Very low | 43.2 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | cis | -173.3 | 141 | -23.2 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 363 | S | 42.2 | Very low | 42.8 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 64.9 | 161.6 | 146.6 | 60 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 364 | S | 42.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 116.7 | 171.9 | 48.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 365 | S | 43.2 | Very low | 42.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | 71.4 | 138.2 | 58.2 | 78.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 366 | S | 41.9 | Very low | 42.3 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | -170.7 | 159.3 | 10.8 | 32.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 367 | S | 39.9 | Very low | 41.5 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 14.4 | 136 | 151.8 | 61.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 368 | S | 41.8 | Very low | 41.2 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 177.7 | 148.6 | 106.1 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 369 | S | 36.4 | Very low | 40.9 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -99.8 | 151.2 | 175.1 | 52 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 370 | S | 41.7 | Very low | 40.6 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 143.7 | 154.6 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 371 | L | 38.4 | Very low | 40.3 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -96.9 | 157.9 | 167.8 | -92.5 | 153.5 | 0 | 0 | 0 | 109.9 | ||||
| 372 | S | 51.4 | Low | 39.9 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -148.3 | 120.6 | 166.4 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 373 | D | 37.1 | Very low | 39.6 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 148.5 | 166.1 | -62.8 | -70.3 | 0 | 0 | 0 | 111 | ||||
| 374 | E | 45.6 | Very low | 39.3 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -162 | 153.4 | 134.9 | -126.8 | -175.4 | 118.1 | 0 | 0 | 114.1 | ||||
| 375 | L | 37 | Very low | 38.9 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -117.4 | 132.9 | -172.4 | -70.2 | 159.8 | 0 | 0 | 0 | 111.6 | ||||
| 376 | K | 45 | Very low | 38.4 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -158.3 | 101.7 | 155.2 | -141 | 76.2 | 173.7 | -162.6 | 0 | 116.9 | ||||
| 377 | C | 33.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 147 Ų | 147 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | 54 | 155.4 | 134.3 | -55.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 378 | P | 38.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | trans | -118.4 | 174.1 | -159 | 42.6 | -30.4 | 0 | 0 | 0 | 115.8 | ||||
| 379 | V | 37.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -127.7 | 132.5 | 161.2 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 380 | V | 35.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -105.4 | 127.9 | 177 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 381 | T | 36.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -141.8 | 119.3 | 152.6 | 33.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 382 | S | 32.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -72.4 | 142.8 | 177.8 | 48 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 383 | N | 34.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 119.3 | 144.2 | -93.2 | -30.8 | 0 | 0 | 0 | 109 | ||||
| 384 | E | 35.1 | Very low | 35.4 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -75.7 | 135.2 | 172.5 | -66.1 | 173 | 105.1 | 0 | 0 | 110.4 | ||||
| 385 | Q | 33.6 | Very low | 34.8 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | -179.1 | 134 | 121.6 | -97.5 | 164.5 | 41.7 | 0 | 0 | 112.3 | |||||
| 386 | M | 32.6 | Very low | 34.4 | Very low | 180 Ų | 180 | 144 Ų | 144 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 65.1 | 87.9 | 152.4 | -56.1 | -86.3 | -96.2 | 0 | 0 | 117.4 | ||||
| 387 | K | 33.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -91 | 171.6 | 161.2 | -149.2 | 176.3 | -173.2 | -178.2 | 0 | 109.7 | ||||
| 388 | L | 31.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 91.1 | 127.1 | -177.6 | -54.4 | 171.7 | 0 | 0 | 0 | 113.6 | ||||
| 389 | F | 34.2 | Very low | 33.4 | Very low | 187 Ų | 187 | 149 Ų | 149 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | cis | -134.6 | 149.8 | 0.8 | -83.4 | -87.2 | 0 | 0 | 0 | 111.1 | ||||
| 390 | S | 30.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -111.1 | 123.1 | 162.5 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | T392 | S390-T392 PolarHBondContact O-N 2.93Š| ||
| 391 | P | 42.2 | Very low | 33.3 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 114.3 | 171.6 | -0.2 | 17.9 | 0 | 0 | 0 | 109.6 | ||||
| 392 | T | 32.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -131.7 | 161.1 | 159.6 | -46.8 | 0 | 0 | 0 | 0 | 106.5 | S390 | S390-T392 PolarHBondContact O-N 2.93Š| ||
| 393 | D | 30.4 | Very low | 33.2 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 79.2 | 104.8 | -176.2 | -48.5 | -29.1 | 0 | 0 | 0 | 115.5 | ||||
| 394 | I | 32.3 | Very low | 33 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -167 | 131 | 107 | -92.7 | 155.4 | 0 | 0 | 0 | 110.9 | |||||
| 395 | A | 32.2 | Very low | 32.5 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 57.6 | 89.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 396 | T | 29.8 | Very low | 32.3 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 128.4 | 144.4 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 397 | Y | 29.5 | Very low | 32.1 | Very low | 232 Ų | 232 | 147.4 Ų | 147.4 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | trans | -128.1 | 110.2 | 157.9 | -138.7 | -90.6 | 0 | 0 | 0 | 108.9 | ||||
| 398 | N | 34.8 | Very low | 32.3 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -85 | 145 | -169.8 | -92.5 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 399 | N | 30.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -54.2 | 142.5 | 168.8 | -70 | -57.8 | 0 | 0 | 0 | 112.7 | ||||
| 400 | K | 35.7 | Very low | 32.7 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -171.2 | 130.7 | 143.6 | -107.2 | 159.2 | -171.4 | -178.6 | 0 | 111.6 | ||||
| 401 | S | 34.5 | Very low | 32.8 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 68.6 | 144.4 | 160.5 | -49.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 402 | S | 32.6 | Very low | 32.3 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -168.1 | 141.3 | -7.6 | 42.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 403 | T | 36.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 45.7 | 118.6 | 145.9 | 59.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 404 | N | 28.5 | Very low | 32.5 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 25.3 | 121.6 | 134.2 | -75.5 | -18.9 | 0 | 0 | 0 | 120 | ||||
| 405 | C | 25.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | 158.5 | 117.5 | 108.8 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 406 | Y | 28.7 | Very low | 32.3 | Very low | 247 Ų | 247 | 150.5 Ų | 150.5 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | trans | -148.6 | 106.5 | 146.3 | -80.3 | -62.3 | 0 | 0 | 0 | 110.2 | ||||
| 407 | D | 28.9 | Very low | 32.7 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -124.2 | 153.7 | 158.9 | -170.2 | 10.4 | 0 | 0 | 0 | 107 | ||||
| 408 | K | 36.9 | Very low | 33 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | 66.8 | 106.3 | 170.1 | -63 | -173.9 | -177.8 | -178.3 | 0 | 119.3 | ||||
| 409 | I | 34.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | 164.6 | 140.8 | 95.1 | -93.3 | 144.2 | 0 | 0 | 0 | 114.2 | |||||
| 410 | L | 39.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -15.5 | 161.9 | 159.5 | -62.3 | 87.1 | 0 | 0 | 0 | 119.2 | ||||
| 411 | Q | 32.7 | Very low | 32.3 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | cis | -165.4 | 170.8 | -13.2 | -110 | -165.7 | 39.7 | 0 | 0 | 107.6 | ||||
| 412 | P | 32.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -90.3 | 152.8 | -168.8 | 35.8 | -35.7 | 0 | 0 | 0 | 115.1 | ||||
| 413 | T | 35 | Very low | 32.2 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -119.7 | 130.9 | 165.8 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 414 | L | 31.4 | Very low | 31.9 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 145.3 | 175.9 | -76.5 | 161.3 | 0 | 0 | 0 | 111.5 | ||||
| 415 | L | 32.1 | Very low | 32 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -150.5 | 107.4 | 151.6 | -113.4 | 160.3 | 0 | 0 | 0 | 110.5 | ||||
| 416 | N | 29.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -70.7 | 142.1 | 170.1 | -80.5 | -30.8 | 0 | 0 | 0 | 110.2 | ||||
| 417 | H | 36.7 | Very low | 32.1 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | -159.5 | 113.8 | 130.5 | -112.5 | 67 | 0 | 0 | 0 | 113.7 | ||||
| 418 | Q | 35.8 | Very low | 32.2 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | 54.7 | 117.2 | 143.1 | -58.3 | -163.5 | 39.5 | 0 | 0 | 122.6 | ||||
| 419 | N | 28.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 59.8 | 100.5 | 126.8 | -55.4 | -19.1 | 0 | 0 | 0 | 120.3 | |||||
| 420 | S | 30.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -161 | 146.2 | 113.1 | -164.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 421 | L | 29.2 | Very low | 31.7 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -84.9 | 134 | -179.1 | -71.3 | 76.8 | 0 | 0 | 0 | 111 | ||||
| 422 | I | 32.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | trans | -135.3 | 122.6 | 155.3 | -56.6 | -178.9 | 0 | 0 | 0 | 108.2 | ||||
| 423 | P | 31.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -78.6 | 132.2 | -177.6 | 30.4 | -33.5 | 0 | 0 | 0 | 112.1 | S425 | P423-S425 PolarHBondContact O-N 3.47Š| ||
| 424 | H | 30.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -71.5 | 94.2 | 172.5 | -73.1 | -77.4 | 0 | 0 | 0 | 111.6 | ||||
| 425 | S | 29.4 | Very low | 32.9 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -145.9 | 67.7 | 168.6 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | P423 | P423-S425 PolarHBondContact O-N 3.47Š| ||
| 426 | C | 30 | Very low | 32.9 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 69% | 0.689 | 71% | 0.714 | S | S | * | * | trans | -99.1 | 87.8 | 166.1 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | I428 | C426-I428 HydrophobicContact CB-CG1 4.25Å; C426-I428 PolarHBondContact O-N 2.98Å; C426-I428 VanDerWaalsContact O-N 3.09Å | ||
| 427 | N | 27.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -68.3 | 101.5 | 157.3 | -85.4 | -23.4 | 0 | 0 | 0 | 107.4 | D429 | N427-D429 PolarHBondContact O-N 3.31Š| ||
| 428 | I | 31.6 | Very low | 33 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 59% | 0.585 | 70% | 0.699 | S | S | * | * | trans | -90.3 | 93.1 | 172.2 | -51.6 | 175.1 | 0 | 0 | 0 | 107.2 | C426 F430 | C426-I428 HydrophobicContact CB-CG1 4.25Å; C426-I428 PolarHBondContact O-N 2.98Å; C426-I428 VanDerWaalsContact O-N 3.09Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 HydrophobicContact CB-CD2 4.22Å; I428-F430 HydrophobicContact CB-CE2 4.14Å; I428-F430 HydrophobicContact CG2-CD2 3.58Å; I428-F430 HydrophobicContact CG2-CE2 3.4Å; I428-F430 HydrophobicContact CG2-CG 4.34Å; I428-F430 HydrophobicContact CG2-CZ 4.02Å; I428-F430 PolarHBondContact O-N 2.93Å | ||
| 429 | D | 29.8 | Very low | 32.8 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -69 | 89 | 171.4 | -83 | -39.9 | 0 | 0 | 0 | 109.8 | N427 N431 | N427-D429 PolarHBondContact O-N 3.31Å; D429-N431 VanDerWaalsContact C-N 3.29Å; D429-N431 PolarHBondContact O-N 3.43Å | ||
| 430 | F | 34.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 61% | 0.614 | 71% | 0.71 | S | S | * | * | trans | -72.2 | 83.6 | 170.4 | -86.4 | -78.8 | 0 | 0 | 0 | 110.3 | H247 I428 P432 | H247-F430 PolarHBondContact CD2-O 3.22Å; H247-F430 PolarHBondContact NE2-O 2.91Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 HydrophobicContact CB-CD2 4.22Å; I428-F430 HydrophobicContact CB-CE2 4.14Å; I428-F430 HydrophobicContact CG2-CD2 3.58Å; I428-F430 HydrophobicContact CG2-CE2 3.4Å; I428-F430 HydrophobicContact CG2-CG 4.34Å; I428-F430 HydrophobicContact CG2-CZ 4.02Å; I428-F430 PolarHBondContact O-N 2.93Å; F430-P432 WeakPolarHBondContact O-CD 3.45Å | ||
| 431 | N | 34.5 | Very low | 32.9 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -59.7 | 126.1 | 164.2 | -83.3 | -58.8 | 0 | 0 | 0 | 109.5 | D429 V433 | D429-N431 VanDerWaalsContact C-N 3.29Å; D429-N431 PolarHBondContact O-N 3.43Å; N431-V433 PolarHBondContact O-N 2.99Å | ||
| 432 | P | 41.1 | Very low | 33 | Very low | 61 Ų | 61 | 132.3 Ų | 132.3 | 40% | 0.396 | 70% | 0.702 | S | S | . | * | trans | -67.3 | 109.7 | 171.8 | 27.5 | -32.3 | 0 | 0 | 0 | 108.6 | F430 L434 | F430-P432 WeakPolarHBondContact O-CD 3.45Å; P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.42Å | ||
| 433 | V | 37.6 | Very low | 33 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | trans | -67.7 | 96.5 | 170.7 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | N431 M435 | N431-V433 PolarHBondContact O-N 2.99Å; V433-M435 PolarHBondContact O-N 2.92Å | ||
| 434 | L | 38.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 105.5 | 161.8 | -112.7 | 160.9 | 0 | 0 | 0 | 107.1 | P432 N436 | P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.42Å; L434-N436 PolarHBondContact O-N 3.42Å | ||
| 435 | M | 38.9 | Very low | 33.3 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 51% | 0.512 | 70% | 0.697 | S | S | . | * | trans | -65.1 | 102 | 170.5 | -85.7 | -165 | 155 | 0 | 0 | 108.7 | T282 V433 F437 | T282-M435 HydrophobicContact CG2-CE 4.28Å; V433-M435 PolarHBondContact O-N 2.92Å; M435-F437 VanDerWaalsContact C-N 3.28Å; M435-F437 HydrophobicContact CB-CD2 3.93Å; M435-F437 HydrophobicContact CB-CE2 3.61Å; M435-F437 HydrophobicContact CB-CZ 4.27Å; M435-F437 HydrophobicContact CG-CE2 4.41Å; M435-F437 WeakPolarHBondContact O-CD2 3.23Å; M435-F437 PolarHBondContact O-N 3.09Å; M435-F437 HydrophobicContact SD-CE2 3.95Å; M435-F437 HydrophobicContact SD-CZ 3.75Å | ||
| 436 | N | 32.7 | Very low | 33.5 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | -66 | 88 | 168 | -88.6 | -11.7 | 0 | 0 | 0 | 109.3 | L434 Q438 | L434-N436 PolarHBondContact O-N 3.42Å; N436-Q438 PolarHBondContact O-N 3.11Å | ||
| 437 | F | 36.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 47% | 0.465 | 70% | 0.699 | S | S | . | * | trans | -74.7 | 71.2 | 166 | -73.7 | -76.1 | 0 | 0 | 0 | 110.1 | P285 M435 N439 | P285-F437 HydrophobicContact CG-CD2 4.19Å; P285-F437 HydrophobicContact CG-CE2 4.23Å; P285-F437 HydrophobicContact CG-CG 4.36Å; P285-F437 HydrophobicContact CG-CZ 4.46Å; M435-F437 VanDerWaalsContact C-N 3.28Å; M435-F437 HydrophobicContact CB-CD2 3.93Å; M435-F437 HydrophobicContact CB-CE2 3.61Å; M435-F437 HydrophobicContact CB-CZ 4.27Å; M435-F437 HydrophobicContact CG-CE2 4.41Å; M435-F437 WeakPolarHBondContact O-CD2 3.23Å; M435-F437 PolarHBondContact O-N 3.09Å; M435-F437 HydrophobicContact SD-CE2 3.95Å; M435-F437 HydrophobicContact SD-CZ 3.75Å; F437-N439 VanDerWaalsContact C-N 3.29Å; F437-N439 PolarHBondContact O-N 2.96Å | ||
| 438 | Q | 32.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -74.7 | 87.6 | 165.9 | -76.9 | -179.3 | -56.6 | 0 | 0 | 108.9 | N436 Y440 | N436-Q438 PolarHBondContact O-N 3.11Å; Q438-Y440 PolarHBondContact O-N 3.08Å | ||
| 439 | N | 30.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | -75.9 | 105.5 | 172.7 | -154.6 | 3.7 | 0 | 0 | 0 | 108.5 | F437 N441 | F437-N439 VanDerWaalsContact C-N 3.29Å; F437-N439 PolarHBondContact O-N 2.96Å; N439-N441 PolarHBondContact O-N 3.42Å; N439-N441 VanDerWaalsContact O-N 3.1Å | ||
| 440 | Y | 28.9 | Very low | 35 | Very low | 215 Ų | 215 | 130.2 Ų | 130.2 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -66.5 | 107.5 | 173.5 | -86.2 | -95.2 | 0 | 0 | 0 | 109.1 | Q438 | Q438-Y440 PolarHBondContact O-N 3.08Š| ||
| 441 | N | 33.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -136.9 | 130.1 | 160.8 | -136.8 | -8.7 | 0 | 0 | 0 | 109.8 | N439 | N439-N441 PolarHBondContact O-N 3.42Å; N439-N441 VanDerWaalsContact O-N 3.1Å | ||
| 442 | S | 30.1 | Very low | 35 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | trans | -79.1 | 155.3 | -165.2 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 443 | N | 33.9 | Very low | 34.4 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 100 | 143.6 | 158 | -49.7 | -35.3 | 0 | 0 | 0 | 118.7 | ||||
| 444 | S | 33.2 | Very low | 34.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 69.8 | 83.2 | 167 | 47.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 445 | S | 34.5 | Very low | 33.9 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | 57.8 | 120.7 | 116.8 | 61.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 446 | L | 34.6 | Very low | 33.5 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | 73.7 | 91.6 | 134.5 | -65.8 | 169.4 | 0 | 0 | 0 | 119.7 | ||||
| 447 | L | 38.3 | Very low | 33.7 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | 161.3 | 133.4 | 99.5 | -87.4 | 152.1 | 0 | 0 | 0 | 114.2 | |||||
| 448 | N | 37.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 61 | 106.4 | 155.7 | -58.7 | -16.3 | 0 | 0 | 0 | 121.5 | ||||
| 449 | P | 35.9 | Very low | 33.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -100.8 | 125.1 | 153.9 | 34.3 | -25.4 | 0 | 0 | 0 | 111.9 | T451 | P449-T451 PolarHBondContact O-N 3.12Š| ||
| 450 | S | 38.5 | Very low | 33.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -82.3 | 106.6 | 170.1 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | I452 | S450-I452 PolarHBondContact O-N 2.97Š| ||
| 451 | T | 31.6 | Very low | 33 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | -52.6 | 126.4 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 114 | P449 F453 | P449-T451 PolarHBondContact O-N 3.12Å; T451-F453 HydrophobicContact CG2-CD2 3.72Å; T451-F453 HydrophobicContact CG2-CE2 4.25Å | ||
| 452 | I | 36.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -125 | 110.8 | 153.2 | -63.2 | -176.9 | 0 | 0 | 0 | 108.6 | S450 Y454 | S450-I452 PolarHBondContact O-N 2.97Å; I452-Y454 HydrophobicContact CG2-CD2 4.3Å; I452-Y454 HydrophobicContact CG2-CE2 4.18Å | ||
| 453 | F | 28.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 75% | 0.746 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 134.4 | 172.8 | -107.4 | -108.2 | 0 | 0 | 0 | 110.9 | T451 | T451-F453 HydrophobicContact CG2-CD2 3.72Å; T451-F453 HydrophobicContact CG2-CE2 4.25Å | ||
| 454 | Y | 32.7 | Very low | 32.8 | Very low | 208 Ų | 208 | 144.6 Ų | 144.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -141.3 | 135 | 141.7 | -83.8 | -71.4 | 0 | 0 | 0 | 109.9 | I452 | I452-Y454 HydrophobicContact CG2-CD2 4.3Å; I452-Y454 HydrophobicContact CG2-CE2 4.18Å | ||
| 455 | P | 33.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -86.4 | 131.9 | -168.2 | 32.7 | -34 | 0 | 0 | 0 | 112.9 | ||||
| 456 | N | 28.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -104.2 | 115.5 | 159 | -77.9 | -20 | 0 | 0 | 0 | 108.8 | ||||
| 457 | S | 37.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -154.3 | 93.8 | 167.7 | -177.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 458 | I | 30.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | 70.2 | 130.1 | 81.1 | -131.8 | 174.1 | 0 | 0 | 0 | 112.9 | |||||
| 459 | T | 31.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 149 Ų | 149 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 49.2 | 108.4 | 166.8 | 51.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 460 | D | 27.7 | Very low | 31.1 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | -172.8 | 109.3 | 104.3 | -96.7 | -17 | 0 | 0 | 0 | 111.7 | |||||
| 461 | W | 25.6 | Very low | 30.7 | Very low | 254 Ų | 254 | 151 Ų | 151 | 96% | 0.962 | 80% | 0.796 | S | S | * | * | trans | -141.5 | 69.3 | 168.6 | -94.9 | 80.3 | 0 | 0 | 0 | 109.6 | ||||
| 462 | N | 29.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -161.8 | 148.9 | 156.9 | -98.4 | -44.2 | 0 | 0 | 0 | 109.5 | ||||
| 463 | Q | 28.5 | Very low | 30.2 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 67.5 | 177.6 | -48.1 | -171.7 | 19.9 | 0 | 0 | 117.9 | ||||
| 464 | S | 33.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 90.6 | 131.8 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | L466 | S464-L466 PolarHBondContact O-N 3.28Š| ||
| 465 | N | 30.4 | Very low | 30 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -61.1 | 120 | 156.3 | -83.3 | -31.4 | 0 | 0 | 0 | 108.1 | ||||
| 466 | L | 31.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -165 | 87.5 | 155.7 | -106.2 | 163.8 | 0 | 0 | 0 | 110.6 | S464 | S464-L466 PolarHBondContact O-N 3.28Š| ||
| 467 | L | 28.6 | Very low | 30 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 37.2 | 92 | 149 | -64.1 | 161.4 | 0 | 0 | 0 | 117.7 | ||||
| 468 | I | 28.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -90.2 | 109.4 | 149.5 | -62.4 | 177.6 | 0 | 0 | 0 | 107.3 | ||||
| 469 | S | 30.5 | Very low | 29.9 | Very low | 88 Ų | 88 | 148 Ų | 148 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -58.6 | 149.9 | -178.8 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 470 | P | 29 | Very low | 30.1 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -62.2 | 152.3 | 169 | 28.7 | -34.5 | 0 | 0 | 0 | 110.5 | T472 | P470-T472 HydrophobicContact CG-CG2 4.41Å; P470-T472 PolarHBondContact O-N 3.35Å | ||
| 471 | I | 30 | Very low | 30.4 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 94.9 | 177 | -59.1 | 170 | 0 | 0 | 0 | 108.6 | ||||
| 472 | T | 29 | Very low | 30.9 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 48% | 0.479 | 78% | 0.783 | S | S | . | * | trans | -97.1 | 127.4 | 176.4 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | P470 Y474 | P470-T472 HydrophobicContact CG-CG2 4.41Å; P470-T472 PolarHBondContact O-N 3.35Å; T472-Y474 VanDerWaalsContact CB-CE2 3.46Å; T472-Y474 HydrophobicContact CG2-CE2 4.2Å; T472-Y474 PolarHBondContact O-N 3Å; T472-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CE2 3.18Å | ||
| 473 | S | 28.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -65.2 | 110.5 | 165.8 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 474 | Y | 28.1 | Very low | 31.5 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -124.1 | 98 | 160.4 | -71 | -73.9 | 0 | 0 | 0 | 105.9 | T472 | T472-Y474 VanDerWaalsContact CB-CE2 3.46Å; T472-Y474 HydrophobicContact CG2-CE2 4.2Å; T472-Y474 PolarHBondContact O-N 3Å; T472-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CE2 3.18Å | ||
| 475 | H | 29.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | 66.5 | 123.1 | 76.6 | -149.7 | 63.3 | 0 | 0 | 0 | 111.7 | |||||
| 476 | S | 29.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -78.1 | 121.8 | -166.8 | -47.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 477 | D | 33.7 | Very low | 31.9 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -92.1 | 112.7 | 159.8 | -81.3 | -39.5 | 0 | 0 | 0 | 110.1 | ||||
| 478 | N | 31.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 126.6 | 170.5 | -73.5 | -69.2 | 0 | 0 | 0 | 109.7 | ||||
| 479 | V | 34.3 | Very low | 32.7 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -121.5 | 109.2 | 141.4 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | D481 | V479-D481 PolarHBondContact O-N 3.4Š| ||
| 480 | H | 33.8 | Very low | 33 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -57.3 | 128.5 | 166 | -88.3 | -47.9 | 0 | 0 | 0 | 108.8 | ||||
| 481 | D | 35.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -133.8 | 135.8 | 132.8 | -135.9 | -23.7 | 0 | 0 | 0 | 111.2 | V479 | V479-D481 PolarHBondContact O-N 3.4Š| ||
| 482 | K | 35.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | -94 | 117.2 | -165.1 | -65.5 | 166.8 | -179.7 | 169.8 | 0 | 108.9 | ||||
| 483 | N | 39.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -158.8 | 89.3 | 156.1 | -94.2 | -40.4 | 0 | 0 | 0 | 113 | ||||
| 484 | N | 32.1 | Very low | 35.7 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 21.6 | 103.3 | 145.8 | -60 | -24.2 | 0 | 0 | 0 | 119 | ||||
| 485 | N | 35.8 | Very low | 36.7 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | -161.3 | 115.7 | 141.2 | -108.1 | -44.2 | 0 | 0 | 0 | 111.5 | S487 | N485-S487 PolarHBondContact O-N 2.96Š| ||
| 486 | P | 33.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -90.3 | 78.3 | -174.2 | 35.2 | -34.1 | 0 | 0 | 0 | 112.3 | ||||
| 487 | S | 34.3 | Very low | 38.9 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | -162.7 | 153.4 | 167 | -153.1 | 0 | 0 | 0 | 0 | 113 | N485 | N485-S487 PolarHBondContact O-N 2.96Š| ||
| 488 | M | 38.2 | Very low | 40 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 73.2 | 27 | 164.4 | -54.9 | -61.8 | -166.5 | 0 | 0 | 120.3 | ||
| 489 | H | 35.8 | Very low | 41.7 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -127.2 | 83.3 | 164.2 | -95.4 | 18.2 | 0 | 0 | 0 | 112.4 | ||||
| 490 | N | 37.6 | Very low | 43.3 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | trans | -155.4 | 12.2 | 165.7 | -121.2 | -8.8 | 0 | 0 | 0 | 115.2 | ||||
| 491 | T | 43.7 | Very low | 45.1 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.1 | -30.3 | -175.7 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | I495 | T491-I495 VanDerWaalsContact O-CD1 3.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.32Å; T491-I495 VanDerWaalsContact O-CG1 3.27Å; T491-I495 WeakPolarHBondContact O-CG1 3.29Å |
| 492 | N | 39 | Very low | 46.8 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -84.3 | -33.7 | -175.7 | -78.4 | -14.5 | 0 | 0 | 0 | 114.3 | I495 | N492-I495 PolarHBondContact O-N 2.72Å |
| 493 | V | 45.6 | Very low | 48.6 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 56% | 0.564 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.2 | -44.2 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | I495 N496 E497 | V493-I495 PolarHBondContact O-N 3.02Å; V493-N496 PolarHBondContact O-N 3.5Å; V493-E497 PolarHBondContact O-N 3.42Å |
| 494 | N | 44 | Very low | 50.3 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.9 | -23 | -179.7 | -158.1 | -31.9 | 0 | 0 | 0 | 113.3 | N498 | N494-N498 VanDerWaalsContact O-CB 3.32Å; N494-N498 WeakPolarHBondContact O-CB 3.29Å; N494-N498 PolarHBondContact O-N 2.94Å; N494-N498 VanDerWaalsContact O-N 3.13Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 PolarHBondContact OD1-ND2 3.12Å |
| 495 | I | 48.9 | Very low | 52.4 | Low | 87 Ų | 87 | 116 Ų | 116 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.3 | -44 | 174.5 | -72 | 163 | 0 | 0 | 0 | 110.9 | T491 N492 V493 N498 I499 | T491-I495 VanDerWaalsContact O-CD1 3.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.32Å; T491-I495 VanDerWaalsContact O-CG1 3.27Å; T491-I495 WeakPolarHBondContact O-CG1 3.29Å; N492-I495 PolarHBondContact O-N 2.72Å; V493-I495 PolarHBondContact O-N 3.02Å; I495-N498 PolarHBondContact O-N 2.86Å; I495-I499 HydrophobicContact CG2-CD1 3.86Å; I495-I499 VanDerWaalsContact O-CG1 3.31Å; I495-I499 WeakPolarHBondContact O-CG1 3.47Å; I495-I499 PolarHBondContact O-N 3.35Å |
| 496 | N | 48.5 | Very low | 54.4 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 61% | 0.61 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.5 | -39.9 | -178 | -69.2 | -8.5 | 0 | 0 | 0 | 111.8 | V493 N498 I499 H500 | V493-N496 PolarHBondContact O-N 3.5Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 2.98Å; N496-I499 PolarHBondContact O-N 3.02Å; N496-H500 PolarHBondContact O-N 3.15Å; N496-H500 VanDerWaalsContact O-N 3.11Å |
| 497 | E | 57.8 | Low | 56.5 | Low | 122 Ų | 122 | 112.1 Ų | 112.1 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -37.8 | 172.4 | -69.6 | -178.8 | 143.4 | 0 | 0 | 112.4 | V493 N501 | V493-E497 PolarHBondContact O-N 3.42Å; E497-N501 WeakPolarHBondContact O-CB 3.41Å; E497-N501 PolarHBondContact O-N 3.27Å |
| 498 | N | 55.7 | Low | 58.3 | Low | 67 Ų | 67 | 113.6 Ų | 113.6 | 36% | 0.358 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -45.4 | 173.2 | -92.6 | -74 | 0 | 0 | 0 | 112.1 | N494 I495 N496 H500 N501 Y502 | N494-N498 VanDerWaalsContact O-CB 3.32Å; N494-N498 WeakPolarHBondContact O-CB 3.29Å; N494-N498 PolarHBondContact O-N 2.94Å; N494-N498 VanDerWaalsContact O-N 3.13Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 PolarHBondContact OD1-ND2 3.12Å; I495-N498 PolarHBondContact O-N 2.86Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 2.98Å; N498-H500 VanDerWaalsContact C-N 3.3Å; N498-H500 PolarHBondContact O-N 3.04Å; N498-N501 PolarHBondContact O-N 3.3Å; N498-Y502 HydrophobicContact CB-CD2 4.49Å; N498-Y502 WeakPolarHBondContact O-CD2 3.29Å; N498-Y502 PolarHBondContact O-N 2.98Å |
| 499 | I | 66.9 | Low | 59.7 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.1 | -46.9 | 179.3 | -71.3 | 163.8 | 0 | 0 | 0 | 110.2 | I495 N496 Y502 E503 | I495-I499 HydrophobicContact CG2-CD1 3.86Å; I495-I499 VanDerWaalsContact O-CG1 3.31Å; I495-I499 WeakPolarHBondContact O-CG1 3.47Å; I495-I499 PolarHBondContact O-N 3.35Å; N496-I499 PolarHBondContact O-N 3.02Å; I499-Y502 PolarHBondContact O-N 3.32Å; I499-E503 PolarHBondContact O-N 3.21Å |
| 500 | H | 68.3 | Low | 61.4 | Low | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | -178.6 | -147.4 | 44.8 | 0 | 0 | 0 | 112.6 | N496 N498 Y502 E503 Q504 | N496-H500 PolarHBondContact O-N 3.15Å; N496-H500 VanDerWaalsContact O-N 3.11Å; N498-H500 VanDerWaalsContact C-N 3.3Å; N498-H500 PolarHBondContact O-N 3.04Å; H500-Y502 PolarHBondContact O-N 3.38Å; H500-E503 IonicContact ND1-OE2 3.32Å; H500-E503 PolarHBondContact ND1-OE2 3.3Å; H500-E503 PolarHBondContact O-N 2.89Å; H500-Q504 VanDerWaalsContact O-CG 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.42Å; H500-Q504 PolarHBondContact O-N 3.01Å |
| 501 | N | 71.2 | Confident | 62.7 | Low | 110 Ų | 110 | 108 Ų | 108 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.8 | -37 | 171.1 | -89.8 | -34.6 | 0 | 0 | 0 | 113 | E497 N498 T505 | E497-N501 WeakPolarHBondContact O-CB 3.41Å; E497-N501 PolarHBondContact O-N 3.27Å; N498-N501 PolarHBondContact O-N 3.3Å; N501-T505 WeakPolarHBondContact O-CB 3.31Å; N501-T505 PolarHBondContact O-N 3Å; N501-T505 PolarHBondContact O-OG1 3.45Å |
| 502 | Y | 71.6 | Confident | 63.3 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -40.4 | 175.6 | -86.1 | -68.1 | 0 | 0 | 0 | 112.1 | N498 I499 H500 F506 | N498-Y502 HydrophobicContact CB-CD2 4.49Å; N498-Y502 WeakPolarHBondContact O-CD2 3.29Å; N498-Y502 PolarHBondContact O-N 2.98Å; I499-Y502 PolarHBondContact O-N 3.32Å; H500-Y502 PolarHBondContact O-N 3.38Å; Y502-F506 VanDerWaalsContact O-CB 3.29Å; Y502-F506 WeakPolarHBondContact O-CB 3.49Å; Y502-F506 PolarHBondContact O-N 3.48Å |
| 503 | E | 72.6 | Confident | 63.7 | Low | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 172.9 | -77.5 | -174.3 | 131.3 | 0 | 0 | 111.8 | I499 H500 T505 F506 L507 | I499-E503 PolarHBondContact O-N 3.21Å; H500-E503 IonicContact ND1-OE2 3.32Å; H500-E503 PolarHBondContact ND1-OE2 3.3Å; H500-E503 PolarHBondContact O-N 2.89Å; E503-T505 VanDerWaalsContact C-N 3.34Å; E503-T505 PolarHBondContact O-N 3.39Å; E503-F506 PolarHBondContact O-N 3.23Å; E503-F506 VanDerWaalsContact O-N 3.15Å; E503-L507 WeakPolarHBondContact O-CB 3.38Å; E503-L507 PolarHBondContact O-N 3.49Å |
| 504 | Q | 75.3 | Confident | 63.6 | Low | 102 Ų | 102 | 113.4 Ų | 113.4 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | -179.5 | -65.9 | -67.5 | 4.9 | 0 | 0 | 112 | H500 F506 Q508 | H500-Q504 VanDerWaalsContact O-CG 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.42Å; H500-Q504 PolarHBondContact O-N 3.01Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.87Å; Q504-Q508 VanDerWaalsContact O-CB 3.29Å; Q504-Q508 WeakPolarHBondContact O-CB 3.32Å; Q504-Q508 PolarHBondContact O-N 3.03Å |
| 505 | T | 75.5 | Confident | 63.6 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | N501 E503 M509 | N501-T505 WeakPolarHBondContact O-CB 3.31Å; N501-T505 PolarHBondContact O-N 3Å; N501-T505 PolarHBondContact O-OG1 3.45Å; E503-T505 VanDerWaalsContact C-N 3.34Å; E503-T505 PolarHBondContact O-N 3.39Å; T505-M509 WeakPolarHBondContact O-CB 3.3Å; T505-M509 PolarHBondContact O-N 3.32Å |
| 506 | F | 78 | Confident | 64.4 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 53% | 0.531 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -46.4 | 177.6 | -177.4 | -99.6 | 0 | 0 | 0 | 112 | Y502 E503 Q504 Q508 M509 M510 | Y502-F506 VanDerWaalsContact O-CB 3.29Å; Y502-F506 WeakPolarHBondContact O-CB 3.49Å; Y502-F506 PolarHBondContact O-N 3.48Å; E503-F506 PolarHBondContact O-N 3.23Å; E503-F506 VanDerWaalsContact O-N 3.15Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.87Å; F506-Q508 VanDerWaalsContact C-N 3.34Å; F506-Q508 PolarHBondContact O-N 2.81Å; F506-M509 HydrophobicContact CD2-CE 4.22Å; F506-M509 PolarHBondContact O-N 2.82Å; F506-M510 HydrophobicContact CD1-CG 4.25Å; F506-M510 HydrophobicContact CE1-CG 3.89Å; F506-M510 HydrophobicContact CE2-CG 4.42Å; F506-M510 HydrophobicContact CZ-CG 3.97Å; F506-M510 HydrophobicContact CZ-SD 4.15Å; F506-M510 WeakPolarHBondContact O-CG 3.3Å; F506-M510 PolarHBondContact O-N 3.13Å |
| 507 | L | 77.3 | Confident | 65.2 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 46% | 0.461 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.9 | -42.4 | 174.5 | -81.4 | 155.5 | 0 | 0 | 0 | 111.9 | E503 M509 M510 N511 | E503-L507 WeakPolarHBondContact O-CB 3.38Å; E503-L507 PolarHBondContact O-N 3.49Å; L507-M509 VanDerWaalsContact C-N 3.3Å; L507-M509 PolarHBondContact O-N 3.22Å; L507-M510 PolarHBondContact O-N 3.19Å; L507-N511 WeakPolarHBondContact O-CB 3.27Å; L507-N511 PolarHBondContact O-N 3.36Å |
| 508 | Q | 72.5 | Confident | 65.6 | Low | 127 Ų | 127 | 125.1 Ų | 125.1 | 59% | 0.593 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.8 | -24.4 | 177.5 | -171 | 145.7 | 60.8 | 0 | 0 | 113.5 | Q504 F506 K512 | Q504-Q508 VanDerWaalsContact O-CB 3.29Å; Q504-Q508 WeakPolarHBondContact O-CB 3.32Å; Q504-Q508 PolarHBondContact O-N 3.03Å; F506-Q508 VanDerWaalsContact C-N 3.34Å; F506-Q508 PolarHBondContact O-N 2.81Å; Q508-K512 VanDerWaalsContact O-CG 3.29Å; Q508-K512 WeakPolarHBondContact O-CG 3.43Å |
| 509 | M | 67.8 | Low | 66.2 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.2 | -41.1 | 172.9 | -174.6 | 165.5 | 51 | 0 | 0 | 111.7 | T505 F506 L507 K512 | T505-M509 WeakPolarHBondContact O-CB 3.3Å; T505-M509 PolarHBondContact O-N 3.32Å; F506-M509 HydrophobicContact CD2-CE 4.22Å; F506-M509 PolarHBondContact O-N 2.82Å; L507-M509 VanDerWaalsContact C-N 3.3Å; L507-M509 PolarHBondContact O-N 3.22Å; M509-K512 PolarHBondContact O-N 3.11Å |
| 510 | M | 72 | Confident | 66.1 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 56% | 0.557 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.8 | -44.2 | 175.1 | -68.8 | -66.1 | -70.7 | 0 | 0 | 111.9 | F506 L507 K512 S513 | F506-M510 HydrophobicContact CD1-CG 4.25Å; F506-M510 HydrophobicContact CE1-CG 3.89Å; F506-M510 HydrophobicContact CE2-CG 4.42Å; F506-M510 HydrophobicContact CZ-CG 3.97Å; F506-M510 HydrophobicContact CZ-SD 4.15Å; F506-M510 WeakPolarHBondContact O-CG 3.3Å; F506-M510 PolarHBondContact O-N 3.13Å; L507-M510 PolarHBondContact O-N 3.19Å; M510-K512 PolarHBondContact O-N 3.17Å; M510-S513 WeakPolarHBondContact O-CB 3.31Å; M510-S513 PolarHBondContact O-N 3.2Å |
| 511 | N | 64 | Low | 66 | Low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -11.5 | 178.4 | -73.4 | -17.3 | 0 | 0 | 0 | 114.1 | L507 | L507-N511 WeakPolarHBondContact O-CB 3.27Å; L507-N511 PolarHBondContact O-N 3.36Å |
| 512 | K | 57.9 | Low | 65.6 | Low | 160 Ų | 160 | 133.6 Ų | 133.6 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -1.9 | 171.4 | -77.4 | 179.6 | 177.8 | -177.7 | 0 | 113.5 | Q508 M509 M510 | Q508-K512 VanDerWaalsContact O-CG 3.29Å; Q508-K512 WeakPolarHBondContact O-CG 3.43Å; M509-K512 PolarHBondContact O-N 3.11Å; M510-K512 PolarHBondContact O-N 3.17Å |
| 513 | S | 47.1 | Very low | 65.2 | Low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | trans | -102.8 | 27.3 | -173.7 | -167.1 | 0 | 0 | 0 | 0 | 113.9 | M510 | M510-S513 WeakPolarHBondContact O-CB 3.31Å; M510-S513 PolarHBondContact O-N 3.2Å | ||
| 514 | Q | 43.7 | Very low | 64.5 | Low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | trans | -97.6 | 88.5 | 164 | -72.4 | -157.6 | -2.5 | 0 | 0 | 110.3 | ||||
| 515 | F | 43.4 | Very low | 63.6 | Low | 279 Ų | 279 | 136.1 Ų | 136.1 | 100% | 1.224 | 67% | 0.67 | S | S | * | * | trans | -154.1 | 0 | 161.3 | -100.8 | -73.1 | 0 | 0 | 0 | 108.8 |
Retrieved 515 of 515 residues in 437.9 ms
(Link to these results)