| 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 | 47.8 | Very low | 50.8 | Low | 241 Ų | 241 | 158.4 Ų | 158.4 | 100% | 1.187 | 83% | 0.834 | S | S | * | * | 0 | 113 | 0 | -62.7 | 179.6 | 169.7 | 0 | 0 | 106.1 | |||||
| 2 | R | 46.3 | Very low | 50.2 | Low | 244 Ų | 244 | 156.3 Ų | 156.3 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | cis | -152.7 | 126.2 | 47.1 | -72.1 | 170.8 | 169.8 | 161.4 | -4.9 | 109.8 | ||||
| 3 | V | 48.7 | Very low | 49.7 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | trans | -67.8 | 161.4 | 154.3 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | L | 51.3 | Low | 49.1 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | trans | 102.3 | 119.6 | 169.4 | -61.6 | 159.5 | 0 | 0 | 0 | 112.6 | ||||
| 5 | L | 52.7 | Low | 48.4 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 71% | 0.707 | 83% | 0.831 | S | S | * | * | cis | -155.4 | 124.8 | 25.3 | -81.3 | 133.9 | 0 | 0 | 0 | 111.2 | I7 | L5-I7 HydrophobicContact CD2-CD1 3.65Å; L5-I7 HydrophobicContact CD2-CG1 3.85Å | ||
| 6 | L | 52.5 | Low | 47.7 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | trans | -113.1 | 90.5 | 154.2 | -84.3 | 168.9 | 0 | 0 | 0 | 106.6 | ||||
| 7 | I | 61 | Low | 47 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 72% | 0.723 | 82% | 0.824 | S | S | * | * | trans | -146.8 | 91.1 | 166 | -11.9 | 171.3 | 0 | 0 | 0 | 108.1 | L5 | L5-I7 HydrophobicContact CD2-CD1 3.65Å; L5-I7 HydrophobicContact CD2-CG1 3.85Å | ||
| 8 | C | 53.8 | Low | 46.6 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -166.1 | 127.2 | 151.3 | -108.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 9 | M | 48.4 | Very low | 45.9 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | 96.6 | 90.1 | 171.2 | -47.8 | -50.1 | 157.7 | 0 | 0 | 117.3 | ||||
| 10 | P | 51.2 | Low | 45.3 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -131.2 | 81.4 | 137.7 | 36 | -21.5 | 0 | 0 | 0 | 110.5 | ||||
| 11 | V | 45.3 | Very low | 44.7 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -140.1 | 15.8 | 170.8 | -169.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | V | 43.8 | Very low | 44 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -125.6 | 16 | -173.6 | -159.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 13 | L | 42.8 | Very low | 43.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.2 | 10.9 | 177.4 | -81.3 | 166.1 | 0 | 0 | 0 | 115.4 | ||
| 14 | A | 41.9 | Very low | 42.7 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -97.2 | 4.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 15 | Q | 37.7 | Very low | 42.1 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 23.6 | -177 | -64.3 | -154.7 | -73.8 | 0 | 0 | 116.1 | Q17 | Q15-Q17 WeakPolarHBondContact O-CG 3.11Å; Q15-Q17 PolarHBondContact O-N 3.18Å | ||
| 16 | A | 38.4 | Very low | 41.4 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 72.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y18 | A16-Y18 PolarHBondContact O-N 3.45Š| ||
| 17 | Q | 35.1 | Very low | 40.6 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -51.2 | 117.1 | 167.7 | -56 | -125.2 | -106.3 | 0 | 0 | 106.8 | Q15 Q19 | Q15-Q17 WeakPolarHBondContact O-CG 3.11Å; Q15-Q17 PolarHBondContact O-N 3.18Å; Q17-Q19 VanDerWaalsContact C-N 3.33Å; Q17-Q19 PolarHBondContact O-N 3.14Å; Q17-Q19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | Y | 39.7 | Very low | 39.4 | Very low | 228 Ų | 228 | 143 Ų | 143 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | 42.4 | 62.7 | 100.2 | -140.5 | -88.7 | 0 | 0 | 0 | 112.4 | A16 | A16-Y18 PolarHBondContact O-N 3.45Š| |||
| 19 | Q | 34.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -130.5 | 73.5 | 162.9 | -165 | 154.6 | -24.4 | 0 | 0 | 107.3 | Q17 Q21 | Q17-Q19 VanDerWaalsContact C-N 3.33Å; Q17-Q19 PolarHBondContact O-N 3.14Å; Q17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-Q21 VanDerWaalsContact C-N 3.27Å; Q19-Q21 PolarHBondContact O-N 3.27Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | D | 33.3 | Very low | 38.1 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -77.9 | 90.5 | 164 | -160.6 | 24.6 | 0 | 0 | 0 | 106.7 | V22 | D20-V22 PolarHBondContact O-N 3.1Å; D20-V22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | Q | 31.7 | Very low | 37.1 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -74.2 | 93.8 | 174.7 | -162.4 | 174.4 | 5.5 | 0 | 0 | 106.6 | Q19 S23 | Q19-Q21 VanDerWaalsContact C-N 3.27Å; Q19-Q21 PolarHBondContact O-N 3.27Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å; Q21-S23 VanDerWaalsContact C-N 3.34Å; Q21-S23 PolarHBondContact O-N 2.8Å; Q21-S23 PolarHBondContact O-OG 2.84Å | ||
| 22 | V | 33.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 148 Ų | 148 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | trans | -58.1 | 96.4 | 178.9 | -166.3 | 0 | 0 | 0 | 0 | 108.8 | D20 F24 | D20-V22 PolarHBondContact O-N 3.1Å; D20-V22 VanDerWaalsContact O-N 3.1Å; V22-F24 HydrophobicContact CG1-CD2 4.23Å; V22-F24 HydrophobicContact CG1-CE2 3.97Å | ||
| 23 | S | 31.3 | Very low | 36.3 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -94 | 105.4 | 173.8 | -60 | 0 | 0 | 0 | 0 | 106.7 | Q21 P25 | Q21-S23 VanDerWaalsContact C-N 3.34Å; Q21-S23 PolarHBondContact O-N 2.8Å; Q21-S23 PolarHBondContact O-OG 2.84Å; S23-P25 WeakPolarHBondContact O-CD 3.37Å | ||
| 24 | F | 36.1 | Very low | 36.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -69.5 | 123.5 | 170.3 | -78.4 | -97.8 | 0 | 0 | 0 | 109.1 | V22 | V22-F24 HydrophobicContact CG1-CD2 4.23Å; V22-F24 HydrophobicContact CG1-CE2 3.97Å | ||
| 25 | P | 40.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -90.1 | 103.4 | 159.7 | 10.5 | 9.3 | 0 | 0 | 0 | 108 | S23 S27 | S23-P25 WeakPolarHBondContact O-CD 3.37Å; P25-S27 PolarHBondContact O-N 2.05Å | ||
| 26 | D | 37.9 | Very low | 35.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -80.5 | 99.3 | 162.9 | -147.6 | -28.9 | 0 | 0 | 0 | 106.9 | ||||
| 27 | S | 35.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 153 Ų | 153 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -169.3 | 101.1 | 160.7 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | P25 E29 | P25-S27 PolarHBondContact O-N 2.05Å; S27-E29 PolarHBondContact O-N 3.45Å; S27-E29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | Y | 35.3 | Very low | 35.8 | Very low | 224 Ų | 224 | 153.7 Ų | 153.7 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 102.5 | 165.5 | -61.9 | -99.4 | 0 | 0 | 0 | 108.7 | ||||
| 29 | E | 33.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | -96.1 | 111.5 | 169.7 | -123.5 | 178.7 | 160.7 | 0 | 0 | 109.9 | S27 Y31 | S27-E29 PolarHBondContact O-N 3.45Å; S27-E29 VanDerWaalsContact O-N 3.14Å; E29-Y31 HydrophobicContact CG-CE2 4.35Å; E29-Y31 PolarHBondContact O-N 3.1Å | ||
| 30 | Y | 40.7 | Very low | 35.4 | Very low | 201 Ų | 201 | 150 Ų | 150 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 110 | 175.9 | 179.4 | -92.5 | 0 | 0 | 0 | 109.5 | ||||
| 31 | Y | 32 | Very low | 35.7 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | trans | -135.9 | 115.8 | 158.8 | -79.4 | -80.1 | 0 | 0 | 0 | 110.2 | E29 | E29-Y31 HydrophobicContact CG-CE2 4.35Å; E29-Y31 PolarHBondContact O-N 3.1Å | ||
| 32 | S | 39.5 | Very low | 35.8 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | trans | -89.7 | 118.1 | 163.4 | -48.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 33 | E | 32 | Very low | 35.8 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -153.4 | 124.8 | 156 | -120.8 | 166.9 | 159.2 | 0 | 0 | 112.2 | ||||
| 34 | T | 40.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -61.6 | 121.7 | -179.6 | 12.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 35 | Q | 31.6 | Very low | 36.1 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -163 | 116.7 | 138.5 | -126.2 | 164.3 | 11.8 | 0 | 0 | 111.6 | ||||
| 36 | N | 41.6 | Very low | 36.3 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -80.9 | 134.7 | 168.9 | -173.4 | -50.7 | 0 | 0 | 0 | 109.3 | E38 | N36-E38 PolarHBondContact OD1-N 2.79Å; N36-E38 VanDerWaalsContact OD1-N 3.1Å | ||
| 37 | P | 34.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -132.7 | 121.3 | 139.9 | 22.1 | -3 | 0 | 0 | 0 | 113.5 | ||||
| 38 | E | 37 | Very low | 37.1 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 38.1 | 138.7 | 148.3 | -73.8 | -111 | 96.4 | 0 | 0 | 122.1 | N36 | N36-E38 PolarHBondContact OD1-N 2.79Å; N36-E38 VanDerWaalsContact OD1-N 3.1Å | ||
| 39 | P | 33.4 | Very low | 37.1 | Very low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 116.9 | -171.4 | 34.5 | -31.1 | 0 | 0 | 0 | 112.7 | ||
| 40 | F | 31.8 | Very low | 37.5 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133 | 162.8 | -89 | -91.7 | 0 | 0 | 0 | 110.6 | ||
| 41 | P | 39.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 127.9 | -177.8 | 33.5 | -30.1 | 0 | 0 | 0 | 110.1 | ||
| 42 | G | 35.6 | Very low | 37.4 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 121.1 | 78.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 43 | S | 31.9 | Very low | 37.3 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | 163.7 | 97 | 124.1 | 47.6 | 0 | 0 | 0 | 0 | 107 | Q45 | S43-Q45 VanDerWaalsContact C-N 3.34Å; S43-Q45 PolarHBondContact O-N 3.23Å | |||
| 44 | Y | 32.9 | Very low | 37.8 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | trans | -64.6 | 95.5 | 174.5 | -58.8 | -85.1 | 0 | 0 | 0 | 108.7 | Q46 | Y44-Q46 VanDerWaalsContact C-N 3.26Å; Y44-Q46 PolarHBondContact O-N 3.12Å | ||
| 45 | Q | 41.3 | Very low | 37.7 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 87.6 | 149.2 | -74.2 | -91.1 | -59.2 | 0 | 0 | 104.9 | S43 Q47 | S43-Q45 VanDerWaalsContact C-N 3.34Å; S43-Q45 PolarHBondContact O-N 3.23Å; Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.12Å | ||
| 46 | Q | 44.9 | Very low | 37.9 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 101.9 | 169.6 | -163.9 | 167 | 29.1 | 0 | 0 | 106.3 | Y44 V48 | Y44-Q46 VanDerWaalsContact C-N 3.26Å; Y44-Q46 PolarHBondContact O-N 3.12Å; Q46-V48 PolarHBondContact O-N 3.1Å | ||
| 47 | Q | 45.2 | Very low | 38.2 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -59.7 | 98.2 | 158.5 | -75 | 171.9 | -79.6 | 0 | 0 | 105.5 | Q45 Q49 | Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.12Å; Q47-Q49 PolarHBondContact O-N 2.79Å | ||
| 48 | V | 43.4 | Very low | 38.7 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | -69.1 | 94.1 | 164.2 | -179.8 | 0 | 0 | 0 | 0 | 105 | Q46 I50 | Q46-V48 PolarHBondContact O-N 3.1Å; V48-I50 PolarHBondContact O-N 2.91Å; V48-I50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | Q | 35.3 | Very low | 38.6 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -55.2 | 114.4 | 160.1 | -177.6 | 145.4 | -15 | 0 | 0 | 106.1 | Q47 E51 | Q47-Q49 PolarHBondContact O-N 2.79Å; Q49-E51 PolarHBondContact O-N 3.16Å | ||
| 50 | I | 43.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 85.8 | 175.8 | -58.5 | 154.2 | 0 | 0 | 0 | 105.3 | V48 | V48-I50 PolarHBondContact O-N 2.91Å; V48-I50 VanDerWaalsContact O-N 3.12Å | ||
| 51 | E | 31.4 | Very low | 39.7 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 122.4 | 157.9 | -157.2 | 154.2 | 108.6 | 0 | 0 | 105.6 | Q49 A53 | Q49-E51 PolarHBondContact O-N 3.16Å; E51-A53 PolarHBondContact O-N 3.43Å | ||
| 52 | P | 38.5 | Very low | 39.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -61.4 | 107.4 | 169.3 | -11.9 | 25.8 | 0 | 0 | 0 | 105.8 | V54 | P52-V54 VanDerWaalsContact C-N 3.29Å; P52-V54 PolarHBondContact O-N 2.88Å | ||
| 53 | A | 36.9 | Very low | 40 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 99.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107 | E51 F55 | E51-A53 PolarHBondContact O-N 3.43Å; A53-F55 PolarHBondContact O-N 2.8Å | ||
| 54 | V | 42.9 | Very low | 40.7 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 90.3 | 157.5 | 177.7 | 0 | 0 | 0 | 0 | 104.4 | P52 | P52-V54 VanDerWaalsContact C-N 3.29Å; P52-V54 PolarHBondContact O-N 2.88Å | ||
| 55 | F | 38.6 | Very low | 41 | Very low | 178 Ų | 178 | 146 Ų | 146 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -65.7 | 127.6 | 171.8 | -150.9 | -93.1 | 0 | 0 | 0 | 106.7 | A53 E57 | A53-F55 PolarHBondContact O-N 2.8Å; F55-E57 PolarHBondContact O-N 3.48Å | ||
| 56 | P | 36.9 | Very low | 40.9 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -61.5 | 115.8 | 174.1 | 24.4 | -29.9 | 0 | 0 | 0 | 107.7 | K58 | P56-K58 VanDerWaalsContact C-N 3.31Å; P56-K58 PolarHBondContact O-N 2.96Å | ||
| 57 | E | 46.2 | Very low | 41.4 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 94.6 | 169 | -164.2 | -176.5 | 170.2 | 0 | 0 | 107.7 | F55 | F55-E57 PolarHBondContact O-N 3.48Š| ||
| 58 | K | 45.6 | Very low | 41.6 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -155.8 | 83.8 | 167.2 | -140.5 | 172.9 | -168.8 | 170.6 | 0 | 112.6 | P56 | P56-K58 VanDerWaalsContact C-N 3.31Å; P56-K58 PolarHBondContact O-N 2.96Å | ||
| 59 | S | 34.6 | Very low | 41.9 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | -161.2 | 98.9 | 127 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | P61 | S59-P61 VanDerWaalsContact O-CD 3.25Å; S59-P61 WeakPolarHBondContact O-CD 3.34Å | |||
| 60 | D | 44.1 | Very low | 42.7 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -49.5 | 133.8 | 147.8 | -69.8 | -68.7 | 0 | 0 | 0 | 108.2 | ||||
| 61 | P | 44.9 | Very low | 43.3 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | trans | -110.3 | 104 | 137.5 | 36.8 | -26.2 | 0 | 0 | 0 | 105.1 | S59 F63 | S59-P61 VanDerWaalsContact O-CD 3.25Å; S59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-F63 HydrophobicContact CB-CD2 3.81Å; P61-F63 HydrophobicContact CB-CE2 4.02Å; P61-F63 PolarHBondContact O-N 2.87Å | ||
| 62 | T | 43 | Very low | 44.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -57.1 | 93.2 | 161.9 | -35.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 63 | F | 38.4 | Very low | 45.5 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | trans | -119.7 | 82.6 | 162.6 | -79.7 | -76.4 | 0 | 0 | 0 | 107.6 | P61 T65 | P61-F63 HydrophobicContact CB-CD2 3.81Å; P61-F63 HydrophobicContact CB-CE2 4.02Å; P61-F63 PolarHBondContact O-N 2.87Å; F63-T65 VanDerWaalsContact C-N 3.33Å; F63-T65 PolarHBondContact O-N 2.8Å; F63-T65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | E | 45.2 | Very low | 47.2 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 98.9 | 150.4 | -76.3 | -86.6 | 134.2 | 0 | 0 | 107.5 | ||||
| 65 | T | 40.3 | Very low | 49 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -145.3 | 106.8 | 156.7 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | F63 | F63-T65 VanDerWaalsContact C-N 3.33Å; F63-T65 PolarHBondContact O-N 2.8Å; F63-T65 VanDerWaalsContact O-N 3.11Å | ||
| 66 | E | 39.5 | Very low | 51.2 | Low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | 16 | 137.1 | 144.9 | -160 | 179.1 | 130.1 | 0 | 0 | 119.6 | T68 | E66-T68 PolarHBondContact O-N 2.99Š| ||
| 67 | P | 54.7 | Low | 53.7 | Low | 131 Ų | 131 | 136.8 Ų | 136.8 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -73 | 95.2 | -179.5 | 30.6 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 68 | T | 49.8 | Very low | 55.8 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | trans | -122.6 | 117.5 | 167.4 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | E66 | E66-T68 PolarHBondContact O-N 2.99Š| ||
| 69 | E | 50.3 | Low | 58 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | 35.9 | 116 | 158.7 | -116.9 | -179.6 | 148.6 | 0 | 0 | 118.4 | G71 | E69-G71 PolarHBondContact O-N 2.81Š| ||
| 70 | P | 51.4 | Low | 60.7 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | trans | -60.4 | 106.6 | 178.5 | -16.6 | 28.8 | 0 | 0 | 0 | 110.7 | ||||
| 71 | G | 55.2 | Low | 63 | Low | 49 Ų | 49 | 126.5 Ų | 126.5 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | trans | -66.4 | 155.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | E69 L73 | E69-G71 PolarHBondContact O-N 2.81Å; G71-L73 PolarHBondContact O-N 3.12Å | ||
| 72 | P | 56.9 | Low | 65.3 | Low | 132 Ų | 132 | 123 Ų | 123 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 11.2 | -170.7 | -18.7 | 32.6 | 0 | 0 | 0 | 116.9 | ||
| 73 | L | 59.9 | Low | 67.7 | Low | 156 Ų | 156 | 122 Ų | 122 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 23.2 | -165.4 | -65.1 | 173.4 | 0 | 0 | 0 | 113.9 | G71 C75 | G71-L73 PolarHBondContact O-N 3.12Å; L73-C75 PolarHBondContact O-N 2.91Å |
| 74 | D | 72.2 | Confident | 70.2 | Confident | 129 Ų | 129 | 120.1 Ų | 120.1 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | trans | -80 | 68.6 | 174.9 | -147.4 | 13.4 | 0 | 0 | 0 | 110.4 | A121 | D74-A121 PolarHBondContact O-N 3.42Š| ||
| 75 | C | 82.2 | Confident | 72.5 | Confident | 58 Ų | 58 | 116.6 Ų | 116.6 | 39% | 0.392 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.5 | 173.1 | -64.3 | 0 | 0 | 0 | 0 | 108.7 | L73 T118 V119 C120 | L73-C75 PolarHBondContact O-N 2.91Å; C75-T118 HydrophobicContact CB-CG2 3.77Å; C75-V119 CarbonylContact C-O 3.6Å; C75-V119 VanDerWaalsContact CA-O 3.3Å; C75-V119 WeakPolarHBondContact CA-O 3.34Å; C75-C120 HydrophobicContact CB-CB 4.13Å; C75-C120 WeakPolarHBondContact CB-SG 3.48Å; C75-C120 WeakPolarHBondContact SG-CB 3.04Å; C75-C120 CovalentContact SG-SG 2.04Å; C75-C120 PolarHBondContact SG-SG 3.24Å |
| 76 | R | 85 | Confident | 75 | Confident | 159 Ų | 159 | 114.7 Ų | 114.7 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.3 | 148 | 174.9 | 70.2 | -179.4 | -175 | -156.8 | -1.2 | 111.3 | E78 T118 V119 | R76-E78 HydrophobicContact CG-CG 4.11Å; R76-E78 IonicContact CZ-OE1 2.82Å; R76-E78 IonicContact NE-OE1 3.1Å; R76-E78 PolarHBondContact NE-OE1 2.83Å; R76-E78 IonicContact NH2-OE1 2.79Å; R76-E78 PolarHBondContact NH2-OE1 2.92Å; R76-T118 WeakPolarHBondContact O-CA 3.3Å; R76-V119 PolarHBondContact N-O 3.46Å; R76-V119 PolarHBondContact O-N 2.84Å |
| 77 | E | 88.4 | Confident | 77.6 | Confident | 145 Ų | 145 | 109.2 Ų | 109.2 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.8 | 173.1 | -64.9 | -173.5 | 166.2 | 0 | 0 | 109.7 | ||
| 78 | E | 89.6 | Confident | 79.6 | Confident | 64 Ų | 64 | 106 Ų | 106 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.3 | 175.9 | -65 | -168.6 | 172.5 | 0 | 0 | 111 | R76 M116 R117 V119 | R76-E78 HydrophobicContact CG-CG 4.11Å; R76-E78 IonicContact CZ-OE1 2.82Å; R76-E78 IonicContact NE-OE1 3.1Å; R76-E78 PolarHBondContact NE-OE1 2.83Å; R76-E78 IonicContact NH2-OE1 2.79Å; R76-E78 PolarHBondContact NH2-OE1 2.92Å; E78-M116 WeakPolarHBondContact O-CA 3.3Å; E78-R117 PolarHBondContact N-O 3.05Å; E78-R117 PolarHBondContact O-N 3.36Å; E78-V119 HydrophobicContact CB-CG2 4.12Å; E78-V119 HydrophobicContact CG-CB 4.25Å; E78-V119 HydrophobicContact CG-CG2 3.92Å |
| 79 | Q | 91.5 | Very high | 81.8 | Confident | 146 Ų | 146 | 105.7 Ų | 105.7 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.8 | 173 | -75.7 | 179.1 | 46.3 | 0 | 0 | 109.6 | I114 C115 M116 | Q79-I114 HydrophobicContact CB-CG2 3.56Å; Q79-I114 HydrophobicContact CG-CG2 3.84Å; Q79-C115 WeakPolarHBondContact CA-O 3.2Å; Q79-M116 HydrophobicContact CG-CG 4.1Å |
| 80 | Y | 91.4 | Very high | 83.9 | Confident | 105 Ų | 105 | 103.8 Ų | 103.8 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.5 | 177.7 | 65.9 | -81.9 | 0 | 0 | 0 | 111.5 | C82 C115 R117 | Y80-C82 HydrophobicContact CD2-CB 4.29Å; Y80-C82 HydrophobicContact CE2-CB 3.98Å; Y80-C82 PolarHBondContact O-N 3.41Å; Y80-C115 HydrophobicContact CD1-CB 4.1Å; Y80-C115 VanDerWaalsContact CD1-O 3.26Å; Y80-C115 WeakPolarHBondContact CD1-O 3.38Å; Y80-C115 HydrophobicContact CD2-CB 4.15Å; Y80-C115 HydrophobicContact CE1-CB 3.5Å; Y80-C115 VanDerWaalsContact CE1-CB 3.5Å; Y80-C115 HydrophobicContact CE2-CB 3.59Å; Y80-C115 HydrophobicContact CG-CB 4.39Å; Y80-C115 PolarHBondContact N-O 3.01Å; Y80-C115 PolarHBondContact O-N 2.94Å; Y80-C115 WeakPolarHBondContact OH-CB 3.47Å; Y80-R117 HydrophobicContact CD1-CB 4.12Å; Y80-R117 HydrophobicContact CE1-CB 3.57Å |
| 81 | P | 93.1 | Very high | 85.9 | Confident | 113 Ų | 113 | 101.9 Ų | 101.9 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 125.3 | 176 | 28.1 | -33.1 | 0 | 0 | 0 | 109.7 | I114 | P81-I114 HydrophobicContact CB-CD1 4.49Å |
| 82 | C | 92.6 | Very high | 87.7 | Confident | 21 Ų | 21 | 101.3 Ų | 101.3 | 14% | 0.142 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 160.6 | 175.5 | 61.4 | 0 | 0 | 0 | 0 | 110.5 | Y80 E113 C115 | Y80-C82 HydrophobicContact CD2-CB 4.29Å; Y80-C82 HydrophobicContact CE2-CB 3.98Å; Y80-C82 PolarHBondContact O-N 3.41Å; C82-E113 PolarHBondContact N-O 2.78Å; C82-E113 PolarHBondContact O-N 2.87Å; C82-E113 VanDerWaalsContact SG-CG 3.55Å; C82-E113 PolarHBondContact SG-O 2.84Å; C82-E113 VanDerWaalsContact SG-O 3.42Å; C82-C115 HydrophobicContact CB-CB 3.76Å; C82-C115 WeakPolarHBondContact CB-SG 3.48Å; C82-C115 WeakPolarHBondContact SG-CB 3.02Å; C82-C115 PolarHBondContact SG-N 2.69Å; C82-C115 CovalentContact SG-SG 2.02Å; C82-C115 PolarHBondContact SG-SG 3.41Å |
| 83 | T | 93.9 | Very high | 89.5 | Confident | 100 Ų | 100 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.4 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | I110 N111 K112 | T83-I110 HydrophobicContact CG2-CG2 4.02Å; T83-N111 CarbonylContact C-O 3.59Å; T83-N111 VanDerWaalsContact CA-O 3.29Å; T83-N111 WeakPolarHBondContact CA-O 3.41Å; T83-K112 HydrophobicContact CG2-CG 4.31Å |
| 84 | R | 91.3 | Very high | 91.1 | Very high | 133 Ų | 133 | 100 Ų | 100 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 173.4 | -169.1 | 159.8 | 169.7 | 158.6 | 5.4 | 111.1 | Y86 I110 N111 E113 | R84-Y86 HydrophobicContact CB-CE2 3.81Å; R84-Y86 VanDerWaalsContact CD-CZ 3.47Å; R84-Y86 WeakPolarHBondContact CD-OH 3.11Å; R84-Y86 HydrophobicContact CG-CD2 4.31Å; R84-Y86 HydrophobicContact CG-CE1 4.1Å; R84-Y86 HydrophobicContact CG-CE2 3.59Å; R84-Y86 PolarHBondContact NE-OH 2.86Å; R84-I110 WeakPolarHBondContact O-CA 3.26Å; R84-N111 PolarHBondContact N-O 2.73Å; R84-N111 PolarHBondContact O-N 2.68Å; R84-E113 HydrophobicContact CB-CG 4.33Å; R84-E113 WeakPolarHBondContact CB-OE1 3.42Å |
| 85 | L | 93.1 | Very high | 92.2 | Very high | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.3 | 178.9 | -169.2 | 73.8 | 0 | 0 | 0 | 110.2 | Y108 I110 | L85-Y108 HydrophobicContact CD1-CD1 4.23Å; L85-Y108 HydrophobicContact CD1-CG 4.46Å; L85-Y108 HydrophobicContact CD2-CD1 3.9Å; L85-Y108 HydrophobicContact CD2-CE1 4.41Å; L85-Y108 HydrophobicContact CG-CD1 4.06Å; L85-I110 HydrophobicContact CD1-CD1 4.39Å; L85-I110 HydrophobicContact CD1-CG1 3.65Å |
| 86 | Y | 93.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 100.6 Ų | 100.6 | 31% | 0.31 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.3 | 173.8 | -57.2 | -90.4 | 0 | 0 | 0 | 109.9 | R84 Y108 V109 N111 | R84-Y86 HydrophobicContact CB-CE2 3.81Å; R84-Y86 VanDerWaalsContact CD-CZ 3.47Å; R84-Y86 WeakPolarHBondContact CD-OH 3.11Å; R84-Y86 HydrophobicContact CG-CD2 4.31Å; R84-Y86 HydrophobicContact CG-CE1 4.1Å; R84-Y86 HydrophobicContact CG-CE2 3.59Å; R84-Y86 PolarHBondContact NE-OH 2.86Å; Y86-Y108 CarbonylContact O-C 3.53Å; Y86-Y108 WeakPolarHBondContact O-CA 3.42Å; Y86-V109 PolarHBondContact N-O 2.85Å; Y86-V109 PolarHBondContact O-N 3.3Å; Y86-N111 HydrophobicContact CE2-CB 3.96Å; Y86-N111 WeakPolarHBondContact CE2-ND2 3.31Å |
| 87 | S | 94.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 100.6 Ų | 100.6 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 103.4 | 172 | 167.5 | 0 | 0 | 0 | 0 | 109.1 | R106 | S87-R106 WeakPolarHBondContact OG-CD 3.45Å; S87-R106 VanDerWaalsContact OG-CG 3.3Å; S87-R106 WeakPolarHBondContact OG-CG 3.12Å; S87-R106 PolarHBondContact OG-NE 2.02Å; S87-R106 PolarHBondContact OG-NH1 2.92Å |
| 88 | V | 95.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 99.5 Ų | 99.5 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.2 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | V107 V109 | V88-V107 HydrophobicContact CG2-CB 4.14Å; V88-V107 WeakPolarHBondContact CG2-O 3.49Å; V88-V107 PolarHBondContact N-O 3.18Å; V88-V107 PolarHBondContact O-N 2.87Å; V88-V107 VanDerWaalsContact O-O 3.12Å; V88-V109 HydrophobicContact CG1-CG2 4.49Å; V88-V109 HydrophobicContact CG2-CG2 3.67Å |
| 89 | H | 95.6 | Very high | 93.5 | Very high | 102 Ų | 102 | 101.4 Ų | 101.4 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.4 | 173 | -68.8 | 94.3 | 0 | 0 | 0 | 109.3 | ||
| 90 | K | 94.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 96.7 Ų | 96.7 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.5 | 175 | -173.8 | 173 | -178.5 | 173.5 | 0 | 109.2 | C92 R105 V107 | K90-C92 PolarHBondContact O-N 2.91Å; K90-R105 PolarHBondContact N-O 3.25Å; K90-R105 PolarHBondContact O-N 2.88Å; K90-V107 HydrophobicContact CB-CG2 3.57Å; K90-V107 HydrophobicContact CD-CG2 4.34Å |
| 91 | P | 95.2 | Very high | 93.8 | Very high | 96 Ų | 96 | 97.7 Ų | 97.7 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.7 | 172.7 | 27.6 | -32.6 | 0 | 0 | 0 | 110.1 | S103 L104 | P91-S103 WeakPolarHBondContact CA-O 3.19Å; P91-L104 HydrophobicContact CB-CD2 4Å |
| 92 | C | 92.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 100 Ų | 100 | 26% | 0.257 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.8 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 108.2 | K90 S103 | K90-C92 PolarHBondContact O-N 2.91Å; C92-S103 PolarHBondContact N-O 3.27Å; C92-S103 PolarHBondContact O-N 2.82Å; C92-S103 PolarHBondContact O-OG 2.87Å |
| 93 | K | 94.6 | Very high | 93.9 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.2 | 176.6 | -177.8 | 179.7 | 179.2 | 169.4 | 0 | 108.4 | C95 C100 F101 Y102 | K93-C95 WeakPolarHBondContact CE-SG 3.29Å; K93-C100 VanDerWaalsContact CE-SG 3.52Å; K93-C100 HydrophobicContact CG-CB 4.42Å; K93-F101 WeakPolarHBondContact CA-O 3.02Å; K93-Y102 HydrophobicContact CB-CD1 4.1Å; K93-Y102 HydrophobicContact CB-CE1 3.95Å; K93-Y102 HydrophobicContact CD-CE1 3.64Å; K93-Y102 VanDerWaalsContact CE-OH 3.31Å; K93-Y102 WeakPolarHBondContact CE-OH 3.43Å; K93-Y102 HydrophobicContact CG-CD1 4.19Å; K93-Y102 HydrophobicContact CG-CE1 3.73Å; K93-Y102 PolarHBondContact NZ-OH 3.02Å; K93-Y102 VanDerWaalsContact NZ-OH 3.16Å |
| 94 | Q | 92.6 | Very high | 94 | Very high | 134 Ų | 134 | 102.8 Ų | 102.8 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.4 | 173.6 | -68.5 | 179.2 | -34.4 | 0 | 0 | 108 | C100 F101 | Q94-C100 CarbonylContact O-C 3.59Å; Q94-C100 WeakPolarHBondContact O-CA 3.17Å; Q94-F101 PolarHBondContact N-O 3.42Å; Q94-F101 PolarHBondContact O-N 2.84Å |
| 95 | C | 94.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 104.9 Ų | 104.9 | 46% | 0.459 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.2 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | K93 L99 C100 | K93-C95 WeakPolarHBondContact CE-SG 3.29Å; C95-L99 CarbonylContact C-O 3.54Å; C95-L99 WeakPolarHBondContact CA-O 3.3Å; C95-C100 HydrophobicContact CB-CB 4.16Å; C95-C100 WeakPolarHBondContact CB-SG 3.35Å; C95-C100 WeakPolarHBondContact SG-CB 3.44Å; C95-C100 CovalentContact SG-SG 2.05Å; C95-C100 PolarHBondContact SG-SG 2.91Å |
| 96 | L | 94.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 106 Ų | 106 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 106.7 | 168.2 | -153.4 | 91.5 | 0 | 0 | 0 | 106.9 | S98 L99 | L96-S98 PolarHBondContact O-N 2.87Å; L96-L99 PolarHBondContact N-O 2.82Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-L99 VanDerWaalsContact O-N 3.1Å |
| 97 | N | 92.7 | Very high | 94.3 | Very high | 158 Ų | 158 | 104.7 Ų | 104.7 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -115.3 | -172.3 | -54.7 | -30.4 | 0 | 0 | 0 | 111.9 | ||
| 98 | S | 91.8 | Very high | 94.3 | Very high | 123 Ų | 123 | 109.2 Ų | 109.2 | 86% | 0.86 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.2 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | L96 | L96-S98 PolarHBondContact O-N 2.87Š|
| 99 | L | 93.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.8 | -179.5 | -167.8 | 70.8 | 0 | 0 | 0 | 110 | C95 L96 F101 | C95-L99 CarbonylContact C-O 3.54Å; C95-L99 WeakPolarHBondContact CA-O 3.3Å; L96-L99 PolarHBondContact N-O 2.82Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-L99 VanDerWaalsContact O-N 3.1Å; L99-F101 HydrophobicContact CD2-CE1 4.37Å; L99-F101 HydrophobicContact CD2-CE2 3.68Å; L99-F101 HydrophobicContact CD2-CZ 3.44Å; L99-F101 VanDerWaalsContact CD2-CZ 3.44Å; L99-F101 HydrophobicContact CG-CE2 4.06Å; L99-F101 HydrophobicContact CG-CZ 4.09Å |
| 100 | C | 94.2 | Very high | 94.2 | Very high | 46 Ų | 46 | 109.4 Ų | 109.4 | 31% | 0.311 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.2 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | K93 Q94 C95 Y102 | K93-C100 VanDerWaalsContact CE-SG 3.52Å; K93-C100 HydrophobicContact CG-CB 4.42Å; Q94-C100 CarbonylContact O-C 3.59Å; Q94-C100 WeakPolarHBondContact O-CA 3.17Å; C95-C100 HydrophobicContact CB-CB 4.16Å; C95-C100 WeakPolarHBondContact CB-SG 3.35Å; C95-C100 WeakPolarHBondContact SG-CB 3.44Å; C95-C100 CovalentContact SG-SG 2.05Å; C95-C100 PolarHBondContact SG-SG 2.91Å; C100-Y102 HydrophobicContact CB-CE2 4.48Å |
| 101 | F | 95.4 | Very high | 94 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.2 | 172.6 | -62.3 | -83 | 0 | 0 | 0 | 109.5 | K93 Q94 L99 | K93-F101 WeakPolarHBondContact CA-O 3.02Å; Q94-F101 PolarHBondContact N-O 3.42Å; Q94-F101 PolarHBondContact O-N 2.84Å; L99-F101 HydrophobicContact CD2-CE1 4.37Å; L99-F101 HydrophobicContact CD2-CE2 3.68Å; L99-F101 HydrophobicContact CD2-CZ 3.44Å; L99-F101 VanDerWaalsContact CD2-CZ 3.44Å; L99-F101 HydrophobicContact CG-CE2 4.06Å; L99-F101 HydrophobicContact CG-CZ 4.09Å |
| 102 | Y | 95 | Very high | 93.8 | Very high | 162 Ų | 162 | 111.2 Ų | 111.2 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.5 | 171.7 | -66.3 | -88.9 | 0 | 0 | 0 | 108.5 | K93 C100 | K93-Y102 HydrophobicContact CB-CD1 4.1Å; K93-Y102 HydrophobicContact CB-CE1 3.95Å; K93-Y102 HydrophobicContact CD-CE1 3.64Å; K93-Y102 VanDerWaalsContact CE-OH 3.31Å; K93-Y102 WeakPolarHBondContact CE-OH 3.43Å; K93-Y102 HydrophobicContact CG-CD1 4.19Å; K93-Y102 HydrophobicContact CG-CE1 3.73Å; K93-Y102 PolarHBondContact NZ-OH 3.02Å; K93-Y102 VanDerWaalsContact NZ-OH 3.16Å; C100-Y102 HydrophobicContact CB-CE2 4.48Å |
| 103 | S | 93.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 113 Ų | 113 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129 | 154.9 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | P91 C92 | P91-S103 WeakPolarHBondContact CA-O 3.19Å; C92-S103 PolarHBondContact N-O 3.27Å; C92-S103 PolarHBondContact O-N 2.82Å; C92-S103 PolarHBondContact O-OG 2.87Å |
| 104 | L | 96.3 | Very high | 93.5 | Very high | 124 Ų | 124 | 111.9 Ų | 111.9 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.8 | 172.4 | -65 | 177.7 | 0 | 0 | 0 | 108 | P91 | P91-L104 HydrophobicContact CB-CD2 4Å |
| 105 | R | 94 | Very high | 93.4 | Very high | 176 Ų | 176 | 107 Ų | 107 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.7 | 172 | -175.6 | 175.2 | 176 | -176.2 | -0.6 | 108.9 | K90 | K90-R105 PolarHBondContact N-O 3.25Å; K90-R105 PolarHBondContact O-N 2.88Å |
| 106 | R | 96 | Very high | 93.3 | Very high | 133 Ų | 133 | 109.8 Ų | 109.8 | 50% | 0.502 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.7 | 170 | -173.9 | 173.8 | -71.1 | -127.6 | 7.6 | 109.3 | S87 Y108 | S87-R106 WeakPolarHBondContact OG-CD 3.45Å; S87-R106 VanDerWaalsContact OG-CG 3.3Å; S87-R106 WeakPolarHBondContact OG-CG 3.12Å; S87-R106 PolarHBondContact OG-NE 2.02Å; S87-R106 PolarHBondContact OG-NH1 2.92Å; R106-Y108 HydrophobicContact CG-CE2 4.48Å |
| 107 | V | 94.4 | Very high | 93 | Very high | 50 Ų | 50 | 108.7 Ų | 108.7 | 30% | 0.303 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.3 | 178.2 | -162.4 | 0 | 0 | 0 | 0 | 107.8 | V88 K90 | V88-V107 HydrophobicContact CG2-CB 4.14Å; V88-V107 WeakPolarHBondContact CG2-O 3.49Å; V88-V107 PolarHBondContact N-O 3.18Å; V88-V107 PolarHBondContact O-N 2.87Å; V88-V107 VanDerWaalsContact O-O 3.12Å; K90-V107 HydrophobicContact CB-CG2 3.57Å; K90-V107 HydrophobicContact CD-CG2 4.34Å |
| 108 | Y | 94.6 | Very high | 92.7 | Very high | 144 Ų | 144 | 104.6 Ų | 104.6 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.6 | 177.7 | -63.5 | -85.5 | 0 | 0 | 0 | 109.2 | L85 Y86 R106 | L85-Y108 HydrophobicContact CD1-CD1 4.23Å; L85-Y108 HydrophobicContact CD1-CG 4.46Å; L85-Y108 HydrophobicContact CD2-CD1 3.9Å; L85-Y108 HydrophobicContact CD2-CE1 4.41Å; L85-Y108 HydrophobicContact CG-CD1 4.06Å; Y86-Y108 CarbonylContact O-C 3.53Å; Y86-Y108 WeakPolarHBondContact O-CA 3.42Å; R106-Y108 HydrophobicContact CG-CE2 4.48Å |
| 109 | V | 94 | Very high | 92.4 | Very high | 62 Ų | 62 | 99.6 Ų | 99.6 | 38% | 0.376 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.1 | 176 | 178.8 | 0 | 0 | 0 | 0 | 107.5 | Y86 V88 | Y86-V109 PolarHBondContact N-O 2.85Å; Y86-V109 PolarHBondContact O-N 3.3Å; V88-V109 HydrophobicContact CG1-CG2 4.49Å; V88-V109 HydrophobicContact CG2-CG2 3.67Å |
| 110 | I | 93.6 | Very high | 92 | Very high | 106 Ų | 106 | 96 Ų | 96 | 54% | 0.544 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120 | 179.2 | -59.6 | 172.5 | 0 | 0 | 0 | 107.6 | T83 R84 L85 | T83-I110 HydrophobicContact CG2-CG2 4.02Å; R84-I110 WeakPolarHBondContact O-CA 3.26Å; L85-I110 HydrophobicContact CD1-CD1 4.39Å; L85-I110 HydrophobicContact CD1-CG1 3.65Å |
| 111 | N | 91.4 | Very high | 91.2 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.5 | 166.8 | -71.3 | -17.9 | 0 | 0 | 0 | 109.1 | T83 R84 Y86 | T83-N111 CarbonylContact C-O 3.59Å; T83-N111 VanDerWaalsContact CA-O 3.29Å; T83-N111 WeakPolarHBondContact CA-O 3.41Å; R84-N111 PolarHBondContact N-O 2.73Å; R84-N111 PolarHBondContact O-N 2.68Å; Y86-N111 HydrophobicContact CE2-CB 3.96Å; Y86-N111 WeakPolarHBondContact CE2-ND2 3.31Å |
| 112 | K | 89.8 | Confident | 90.4 | Very high | 193 Ų | 193 | 96.8 Ų | 96.8 | 84% | 0.839 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.7 | 167.8 | -62.9 | -177.1 | 179.6 | -178 | 0 | 107.6 | T83 | T83-K112 HydrophobicContact CG2-CG 4.31Å |
| 113 | E | 90.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 93.4 Ų | 93.4 | 35% | 0.346 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 163.1 | 179 | 32.9 | 170.8 | -148.5 | 0 | 0 | 109.9 | C82 R84 | C82-E113 PolarHBondContact N-O 2.78Å; C82-E113 PolarHBondContact O-N 2.87Å; C82-E113 VanDerWaalsContact SG-CG 3.55Å; C82-E113 PolarHBondContact SG-O 2.84Å; C82-E113 VanDerWaalsContact SG-O 3.42Å; R84-E113 HydrophobicContact CB-CG 4.33Å; R84-E113 WeakPolarHBondContact CB-OE1 3.42Å |
| 114 | I | 92.1 | Very high | 88.6 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.2 | 169.7 | -58.9 | -57.8 | 0 | 0 | 0 | 107.1 | Q79 P81 | Q79-I114 HydrophobicContact CB-CG2 3.56Å; Q79-I114 HydrophobicContact CG-CG2 3.84Å; P81-I114 HydrophobicContact CB-CD1 4.49Å |
| 115 | C | 91.3 | Very high | 87.4 | Confident | 30 Ų | 30 | 95.1 Ų | 95.1 | 20% | 0.203 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 150.3 | 173.7 | -72.9 | 0 | 0 | 0 | 0 | 109.1 | Q79 Y80 C82 | Q79-C115 WeakPolarHBondContact CA-O 3.2Å; Y80-C115 HydrophobicContact CD1-CB 4.1Å; Y80-C115 VanDerWaalsContact CD1-O 3.26Å; Y80-C115 WeakPolarHBondContact CD1-O 3.38Å; Y80-C115 HydrophobicContact CD2-CB 4.15Å; Y80-C115 HydrophobicContact CE1-CB 3.5Å; Y80-C115 VanDerWaalsContact CE1-CB 3.5Å; Y80-C115 HydrophobicContact CE2-CB 3.59Å; Y80-C115 HydrophobicContact CG-CB 4.39Å; Y80-C115 PolarHBondContact N-O 3.01Å; Y80-C115 PolarHBondContact O-N 2.94Å; Y80-C115 WeakPolarHBondContact OH-CB 3.47Å; C82-C115 HydrophobicContact CB-CB 3.76Å; C82-C115 WeakPolarHBondContact CB-SG 3.48Å; C82-C115 WeakPolarHBondContact SG-CB 3.02Å; C82-C115 PolarHBondContact SG-N 2.69Å; C82-C115 CovalentContact SG-SG 2.02Å; C82-C115 PolarHBondContact SG-SG 3.41Å |
| 116 | M | 92.2 | Very high | 86.6 | Confident | 127 Ų | 127 | 91.9 Ų | 91.9 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.3 | 173.8 | -56.7 | -168.1 | -55.7 | 0 | 0 | 109.2 | E78 Q79 | E78-M116 WeakPolarHBondContact O-CA 3.3Å; Q79-M116 HydrophobicContact CG-CG 4.1Å |
| 117 | R | 87.6 | Confident | 85.9 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.1 | 170.1 | 172.1 | 176.6 | -178.8 | 174.7 | 3.1 | 109 | E78 Y80 E123 | E78-R117 PolarHBondContact N-O 3.05Å; E78-R117 PolarHBondContact O-N 3.36Å; Y80-R117 HydrophobicContact CD1-CB 4.12Å; Y80-R117 HydrophobicContact CE1-CB 3.57Å; R117-E123 IonicContact NH2-OE1 2.79Å; R117-E123 PolarHBondContact NH2-OE1 2.68Å |
| 118 | T | 87.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 94 Ų | 94 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.3 | 168.3 | -46.1 | 0 | 0 | 0 | 0 | 109.4 | C75 R76 | C75-T118 HydrophobicContact CB-CG2 3.77Å; R76-T118 WeakPolarHBondContact O-CA 3.3Å |
| 119 | V | 84.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 90.1 Ų | 90.1 | 11% | 0.109 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.2 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | C75 R76 E78 E124 | C75-V119 CarbonylContact C-O 3.6Å; C75-V119 VanDerWaalsContact CA-O 3.3Å; C75-V119 WeakPolarHBondContact CA-O 3.34Å; R76-V119 PolarHBondContact N-O 3.46Å; R76-V119 PolarHBondContact O-N 2.84Å; E78-V119 HydrophobicContact CB-CG2 4.12Å; E78-V119 HydrophobicContact CG-CB 4.25Å; E78-V119 HydrophobicContact CG-CG2 3.92Å; V119-E124 HydrophobicContact CG1-CG 3.6Å; V119-E124 WeakPolarHBondContact CG1-OE1 3.25Å |
| 120 | C | 84.3 | Confident | 83.8 | Confident | 28 Ų | 28 | 92.6 Ų | 92.6 | 19% | 0.189 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.5 | 179.3 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | C75 H122 E123 E124 | C75-C120 HydrophobicContact CB-CB 4.13Å; C75-C120 WeakPolarHBondContact CB-SG 3.48Å; C75-C120 WeakPolarHBondContact SG-CB 3.04Å; C75-C120 CovalentContact SG-SG 2.04Å; C75-C120 PolarHBondContact SG-SG 3.24Å; C120-H122 PolarHBondContact O-N 2.67Å; C120-H122 VanDerWaalsContact O-N 3.13Å; C120-E123 HydrophobicContact CB-CB 4.31Å; C120-E123 PolarHBondContact O-N 3.46Å; C120-E124 PolarHBondContact O-N 2.89Å; C120-E124 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 79.2 | Confident | 83.2 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.5 | -38 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D74 E124 L125 | D74-A121 PolarHBondContact O-N 3.42Å; A121-E124 PolarHBondContact O-N 3.26Å; A121-L125 VanDerWaalsContact O-CG 3.29Å; A121-L125 WeakPolarHBondContact O-CG 3.47Å; A121-L125 PolarHBondContact O-N 2.91Å; A121-L125 VanDerWaalsContact O-N 3.08Å |
| 122 | H | 76.7 | Confident | 82.6 | Confident | 145 Ų | 145 | 94.6 Ų | 94.6 | 67% | 0.671 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.4 | -37.3 | 177.3 | -172 | 69.2 | 0 | 0 | 0 | 113.2 | C120 L126 | C120-H122 PolarHBondContact O-N 2.67Å; C120-H122 VanDerWaalsContact O-N 3.13Å; H122-L126 WeakPolarHBondContact O-CB 3.3Å; H122-L126 PolarHBondContact O-N 3.41Å |
| 123 | E | 75.8 | Confident | 82 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 43% | 0.425 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178 | -169.9 | -175.6 | 156.2 | 0 | 0 | 111 | R117 C120 R127 | R117-E123 IonicContact NH2-OE1 2.79Å; R117-E123 PolarHBondContact NH2-OE1 2.68Å; C120-E123 HydrophobicContact CB-CB 4.31Å; C120-E123 PolarHBondContact O-N 3.46Å; E123-R127 WeakPolarHBondContact O-CB 2.95Å; E123-R127 PolarHBondContact O-N 2.03Å |
| 124 | E | 76.3 | Confident | 81.3 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 175.9 | -65.8 | -160.8 | 134.5 | 0 | 0 | 112.5 | V119 C120 A121 R127 A128 | V119-E124 HydrophobicContact CG1-CG 3.6Å; V119-E124 WeakPolarHBondContact CG1-OE1 3.25Å; C120-E124 PolarHBondContact O-N 2.89Å; C120-E124 VanDerWaalsContact O-N 3.11Å; A121-E124 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 3.04Å; E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.38Å |
| 125 | L | 70.5 | Confident | 80.5 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 176.2 | -72.1 | 170.8 | 0 | 0 | 0 | 111.3 | A121 R127 A128 D129 | A121-L125 VanDerWaalsContact O-CG 3.29Å; A121-L125 WeakPolarHBondContact O-CG 3.47Å; A121-L125 PolarHBondContact O-N 2.91Å; A121-L125 VanDerWaalsContact O-N 3.08Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.87Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 3.11Å; L125-A128 VanDerWaalsContact O-N 3.15Å; L125-D129 PolarHBondContact O-N 2.85Å |
| 126 | L | 77.9 | Confident | 80.1 | Confident | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 178.3 | -174.4 | 67.2 | 0 | 0 | 0 | 111.9 | H122 A128 D129 L130 | H122-L126 WeakPolarHBondContact O-CB 3.3Å; H122-L126 PolarHBondContact O-N 3.41Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-D129 PolarHBondContact O-N 2.88Å; L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 PolarHBondContact O-N 3.38Å |
| 127 | R | 80 | Confident | 79.6 | Confident | 172 Ų | 172 | 96.5 Ų | 96.5 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 175.7 | -172.6 | 177.1 | -169.4 | 178.2 | 1.7 | 112 | E123 E124 L125 C131 | E123-R127 WeakPolarHBondContact O-CB 2.95Å; E123-R127 PolarHBondContact O-N 2.03Å; E124-R127 PolarHBondContact O-N 3.04Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.87Å; R127-C131 WeakPolarHBondContact O-CB 3Å; R127-C131 PolarHBondContact O-N 2.79Å |
| 128 | A | 80.6 | Confident | 79.5 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E124 L125 L126 C131 R132 | E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.38Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 3.11Å; L125-A128 VanDerWaalsContact O-N 3.15Å; L126-A128 VanDerWaalsContact C-N 3.34Å; A128-C131 PolarHBondContact O-N 3.03Å; A128-R132 WeakPolarHBondContact O-CB 3.36Å; A128-R132 PolarHBondContact O-N 3.36Å |
| 129 | D | 80.2 | Confident | 79.3 | Confident | 63 Ų | 63 | 89.6 Ų | 89.6 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.3 | -76.1 | -35.7 | 0 | 0 | 0 | 111.5 | L125 L126 C131 R132 D133 | L125-D129 PolarHBondContact O-N 2.85Å; L126-D129 PolarHBondContact O-N 2.88Å; D129-C131 VanDerWaalsContact C-N 3.32Å; D129-C131 PolarHBondContact O-N 3.33Å; D129-R132 WeakPolarHBondContact O-CB 3.44Å; D129-R132 PolarHBondContact O-N 3.01Å; D129-R132 IonicContact OD1-CZ 3.12Å; D129-R132 IonicContact OD1-NH1 2.68Å; D129-R132 PolarHBondContact OD1-NH1 3.4Å; D129-R132 IonicContact OD1-NH2 2.73Å; D129-R132 PolarHBondContact OD1-NH2 2.8Å; D129-D133 WeakPolarHBondContact O-CB 3.39Å; D129-D133 PolarHBondContact O-N 3.33Å |
| 130 | L | 78.2 | Confident | 79.3 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 175.9 | -172.6 | 68.4 | 0 | 0 | 0 | 112.1 | L126 D133 Q134 | L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 PolarHBondContact O-N 3.38Å; L130-D133 PolarHBondContact O-N 3.41Å; L130-Q134 WeakPolarHBondContact O-CB 3.25Å; L130-Q134 PolarHBondContact O-N 3.2Å |
| 131 | C | 80.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 92.4 Ų | 92.4 | 43% | 0.432 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 111 | R127 A128 D129 D133 Q134 F135 | R127-C131 WeakPolarHBondContact O-CB 3Å; R127-C131 PolarHBondContact O-N 2.79Å; A128-C131 PolarHBondContact O-N 3.03Å; D129-C131 VanDerWaalsContact C-N 3.32Å; D129-C131 PolarHBondContact O-N 3.33Å; C131-D133 PolarHBondContact O-N 2.88Å; C131-Q134 PolarHBondContact O-N 2.9Å; C131-F135 VanDerWaalsContact O-CD2 3.3Å; C131-F135 WeakPolarHBondContact O-CD2 3.42Å; C131-F135 PolarHBondContact O-N 3.4Å |
| 132 | R | 79.8 | Confident | 79.3 | Confident | 159 Ų | 159 | 91.8 Ų | 91.8 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 176.8 | -169.7 | 177.1 | 70.1 | -130.5 | -7.9 | 110.8 | A128 D129 S136 | A128-R132 WeakPolarHBondContact O-CB 3.36Å; A128-R132 PolarHBondContact O-N 3.36Å; D129-R132 WeakPolarHBondContact O-CB 3.44Å; D129-R132 PolarHBondContact O-N 3.01Å; D129-R132 IonicContact OD1-CZ 3.12Å; D129-R132 IonicContact OD1-NH1 2.68Å; D129-R132 PolarHBondContact OD1-NH1 3.4Å; D129-R132 IonicContact OD1-NH2 2.73Å; D129-R132 PolarHBondContact OD1-NH2 2.8Å; R132-S136 WeakPolarHBondContact O-CB 3.35Å; R132-S136 PolarHBondContact O-N 2.98Å |
| 133 | D | 77 | Confident | 79.6 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.5 | -47.2 | -179.8 | -70 | -13.1 | 0 | 0 | 0 | 111.7 | D129 L130 C131 F135 S136 G139 | D129-D133 WeakPolarHBondContact O-CB 3.39Å; D129-D133 PolarHBondContact O-N 3.33Å; L130-D133 PolarHBondContact O-N 3.41Å; C131-D133 PolarHBondContact O-N 2.88Å; D133-F135 VanDerWaalsContact C-N 3.34Å; D133-F135 PolarHBondContact O-N 3.35Å; D133-S136 PolarHBondContact O-N 2.95Å; D133-S136 PolarHBondContact O-OG 2.88Å; D133-G139 WeakPolarHBondContact O-CA 3.13Å |
| 134 | Q | 74.6 | Confident | 80.1 | Confident | 95 Ų | 95 | 89 Ų | 89 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | -177.8 | -177.2 | 167.2 | 56.5 | 0 | 0 | 113.2 | L130 C131 V140 L143 | L130-Q134 WeakPolarHBondContact O-CB 3.25Å; L130-Q134 PolarHBondContact O-N 3.2Å; C131-Q134 PolarHBondContact O-N 2.9Å; Q134-V140 WeakPolarHBondContact O-CG2 3.48Å; Q134-L143 HydrophobicContact CB-CD1 4.41Å; Q134-L143 HydrophobicContact CG-CD1 3.83Å |
| 135 | F | 75.1 | Confident | 80.4 | Confident | 143 Ų | 143 | 87 Ų | 87 | 63% | 0.627 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -102.3 | 0.2 | 179.6 | -61.5 | -73.9 | 0 | 0 | 0 | 114 | C131 D133 | C131-F135 VanDerWaalsContact O-CD2 3.3Å; C131-F135 WeakPolarHBondContact O-CD2 3.42Å; C131-F135 PolarHBondContact O-N 3.4Å; D133-F135 VanDerWaalsContact C-N 3.34Å; D133-F135 PolarHBondContact O-N 3.35Å |
| 136 | S | 83.1 | Confident | 81.1 | Confident | 37 Ų | 37 | 86 Ų | 86 | 26% | 0.259 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -61.7 | 147.3 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | R132 D133 C138 G139 V140 | R132-S136 WeakPolarHBondContact O-CB 3.35Å; R132-S136 PolarHBondContact O-N 2.98Å; D133-S136 PolarHBondContact O-N 2.95Å; D133-S136 PolarHBondContact O-OG 2.88Å; S136-C138 PolarHBondContact O-N 3.44Å; S136-C138 VanDerWaalsContact O-N 3.11Å; S136-G139 PolarHBondContact O-N 2.91Å; S136-G139 WeakPolarHBondContact OG-CA 3.45Å; S136-G139 PolarHBondContact OG-N 2.99Å; S136-V140 WeakPolarHBondContact O-CG2 3.39Å; S136-V140 PolarHBondContact O-N 2.79Å |
| 137 | R | 82.9 | Confident | 81.2 | Confident | 200 Ų | 200 | 82.7 Ų | 82.7 | 76% | 0.755 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -51.5 | -38.3 | 176.1 | -174.1 | -179.5 | 179.8 | -161.2 | -0.9 | 112 | M141 L150 | R137-M141 WeakPolarHBondContact O-CB 3.32Å; R137-M141 WeakPolarHBondContact O-CG 3.3Å; R137-L150 HydrophobicContact CG-CD2 4.3Å |
| 138 | C | 84.2 | Confident | 81.2 | Confident | 29 Ų | 29 | 81.1 Ų | 81.1 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -77.2 | -39.8 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | S136 M141 A142 C154 S157 | S136-C138 PolarHBondContact O-N 3.44Å; S136-C138 VanDerWaalsContact O-N 3.11Å; C138-M141 PolarHBondContact O-N 3.15Å; C138-A142 WeakPolarHBondContact O-CB 3.16Å; C138-A142 PolarHBondContact O-N 3.11Å; C138-C154 WeakPolarHBondContact CA-SG 3.24Å; C138-C154 HydrophobicContact CB-CB 3.5Å; C138-C154 WeakPolarHBondContact CB-SG 3.49Å; C138-C154 VanDerWaalsContact SG-CA 3.53Å; C138-C154 WeakPolarHBondContact SG-CB 2.94Å; C138-C154 CovalentContact SG-SG 2.03Å; C138-C154 PolarHBondContact SG-SG 2.04Å; C138-S157 WeakPolarHBondContact CB-OG 3.39Å |
| 139 | G | 83.2 | Confident | 81.1 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 9% | 0.093 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.1 | -38 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D133 S136 M141 A142 L143 | D133-G139 WeakPolarHBondContact O-CA 3.13Å; S136-G139 PolarHBondContact O-N 2.91Å; S136-G139 WeakPolarHBondContact OG-CA 3.45Å; S136-G139 PolarHBondContact OG-N 2.99Å; G139-M141 VanDerWaalsContact C-N 3.27Å; G139-M141 PolarHBondContact O-N 3.35Å; G139-A142 PolarHBondContact O-N 3.5Å; G139-L143 WeakPolarHBondContact O-CB 3.47Å; G139-L143 VanDerWaalsContact O-CG 3.25Å; G139-L143 WeakPolarHBondContact O-CG 3.44Å; G139-L143 PolarHBondContact O-N 2.82Å |
| 140 | V | 84.6 | Confident | 80.7 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 35% | 0.352 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 171.1 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | Q134 S136 L143 S144 | Q134-V140 WeakPolarHBondContact O-CG2 3.48Å; S136-V140 WeakPolarHBondContact O-CG2 3.39Å; S136-V140 PolarHBondContact O-N 2.79Å; V140-L143 PolarHBondContact O-N 3.39Å; V140-S144 VanDerWaalsContact O-CB 3.27Å; V140-S144 WeakPolarHBondContact O-CB 3.5Å; V140-S144 PolarHBondContact O-N 3.13Å; V140-S144 PolarHBondContact O-OG 2.85Å |
| 141 | M | 82.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -72.4 | -33.3 | -179.8 | -64.4 | -77.1 | 148.1 | 0 | 0 | 111.8 | R137 C138 G139 S144 G145 Q146 L150 | R137-M141 WeakPolarHBondContact O-CB 3.32Å; R137-M141 WeakPolarHBondContact O-CG 3.3Å; C138-M141 PolarHBondContact O-N 3.15Å; G139-M141 VanDerWaalsContact C-N 3.27Å; G139-M141 PolarHBondContact O-N 3.35Å; M141-S144 WeakPolarHBondContact CA-OG 3.05Å; M141-S144 PolarHBondContact O-OG 2.8Å; M141-G145 PolarHBondContact O-N 2.82Å; M141-Q146 HydrophobicContact CB-CB 4.43Å; M141-Q146 PolarHBondContact O-N 3.28Å; M141-Q146 HydrophobicContact SD-CB 3.68Å; M141-Q146 PolarHBondContact SD-OE1 3.08Å; M141-L150 HydrophobicContact CB-CD1 3.91Å; M141-L150 HydrophobicContact CG-CD1 3.46Å; M141-L150 VanDerWaalsContact CG-CD1 3.46Å; M141-L150 HydrophobicContact SD-CD1 3.75Å |
| 142 | A | 82.1 | Confident | 79.7 | Confident | 33 Ų | 33 | 78.8 Ų | 78.8 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C138 G139 G145 C147 S157 | C138-A142 WeakPolarHBondContact O-CB 3.16Å; C138-A142 PolarHBondContact O-N 3.11Å; G139-A142 PolarHBondContact O-N 3.5Å; A142-G145 PolarHBondContact O-N 3.48Å; A142-C147 VanDerWaalsContact CA-SG 3.53Å; A142-S157 VanDerWaalsContact CB-O 3.24Å; A142-S157 WeakPolarHBondContact CB-O 3.37Å |
| 143 | L | 82.2 | Confident | 79.7 | Confident | 124 Ų | 124 | 75.2 Ų | 75.2 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.9 | -32.4 | 179.7 | -69.2 | 169.8 | 0 | 0 | 0 | 113.3 | Q134 G139 V140 G145 | Q134-L143 HydrophobicContact CB-CD1 4.41Å; Q134-L143 HydrophobicContact CG-CD1 3.83Å; G139-L143 WeakPolarHBondContact O-CB 3.47Å; G139-L143 VanDerWaalsContact O-CG 3.25Å; G139-L143 WeakPolarHBondContact O-CG 3.44Å; G139-L143 PolarHBondContact O-N 2.82Å; V140-L143 PolarHBondContact O-N 3.39Å; L143-G145 VanDerWaalsContact C-N 3.34Å |
| 144 | S | 85.5 | Confident | 79.9 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.4 | 178.3 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | V140 M141 Q146 | V140-S144 VanDerWaalsContact O-CB 3.27Å; V140-S144 WeakPolarHBondContact O-CB 3.5Å; V140-S144 PolarHBondContact O-N 3.13Å; V140-S144 PolarHBondContact O-OG 2.85Å; M141-S144 WeakPolarHBondContact CA-OG 3.05Å; M141-S144 PolarHBondContact O-OG 2.8Å; S144-Q146 VanDerWaalsContact C-N 3.3Å; S144-Q146 PolarHBondContact O-N 3.16Å; S144-Q146 VanDerWaalsContact OG-CD 3.25Å; S144-Q146 PolarHBondContact OG-OE1 2.03Å |
| 145 | G | 83.5 | Confident | 80.1 | Confident | 62 Ų | 62 | 68 Ų | 68 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M141 A142 L143 | M141-G145 PolarHBondContact O-N 2.82Å; A142-G145 PolarHBondContact O-N 3.48Å; L143-G145 VanDerWaalsContact C-N 3.34Å |
| 146 | Q | 84.3 | Confident | 80.4 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | trans | -97.1 | 16.3 | -175 | -67.8 | 162.8 | 13.8 | 0 | 0 | 113 | M141 S144 T148 S149 | M141-Q146 HydrophobicContact CB-CB 4.43Å; M141-Q146 PolarHBondContact O-N 3.28Å; M141-Q146 HydrophobicContact SD-CB 3.68Å; M141-Q146 PolarHBondContact SD-OE1 3.08Å; S144-Q146 VanDerWaalsContact C-N 3.3Å; S144-Q146 PolarHBondContact O-N 3.16Å; S144-Q146 VanDerWaalsContact OG-CD 3.25Å; S144-Q146 PolarHBondContact OG-OE1 2.03Å; Q146-T148 PolarHBondContact O-N 3.39Å; Q146-S149 WeakPolarHBondContact O-CB 2.94Å; Q146-S149 PolarHBondContact O-N 3.11Å; Q146-S149 PolarHBondContact O-OG 3.29Å | ||
| 147 | C | 81.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -52.7 | -28 | -177.8 | -82.8 | 0 | 0 | 0 | 0 | 115.7 | A142 S149 C158 | A142-C147 VanDerWaalsContact CA-SG 3.53Å; C147-S149 VanDerWaalsContact C-N 3.28Å; C147-S149 PolarHBondContact O-N 3.46Å; C147-C158 WeakPolarHBondContact CA-SG 3.09Å; C147-C158 HydrophobicContact CB-CB 3.62Å; C147-C158 WeakPolarHBondContact CB-SG 3.07Å; C147-C158 VanDerWaalsContact SG-CA 3.52Å; C147-C158 WeakPolarHBondContact SG-CB 3.29Å; C147-C158 CovalentContact SG-SG 2.03Å; C147-C158 PolarHBondContact SG-SG 2.9Å |
| 148 | T | 79.6 | Confident | 80.3 | Confident | 138 Ų | 138 | 64.4 Ų | 64.4 | 85% | 0.847 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -72.8 | -18.9 | 179.5 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | Q146 | Q146-T148 PolarHBondContact O-N 3.39Š|
| 149 | S | 79.4 | Confident | 80 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -83.8 | -17.3 | -174.3 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | Q146 C147 | Q146-S149 WeakPolarHBondContact O-CB 2.94Å; Q146-S149 PolarHBondContact O-N 3.11Å; Q146-S149 PolarHBondContact O-OG 3.29Å; C147-S149 VanDerWaalsContact C-N 3.28Å; C147-S149 PolarHBondContact O-N 3.46Å |
| 150 | L | 70.5 | Confident | 79.6 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 14% | 0.141 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -98.8 | 2.6 | -175.3 | -92.2 | 101 | 0 | 0 | 0 | 115.2 | R137 M141 S153 C154 | R137-L150 HydrophobicContact CG-CD2 4.3Å; M141-L150 HydrophobicContact CB-CD1 3.91Å; M141-L150 HydrophobicContact CG-CD1 3.46Å; M141-L150 VanDerWaalsContact CG-CD1 3.46Å; M141-L150 HydrophobicContact SD-CD1 3.75Å; L150-S153 PolarHBondContact O-N 3.11Å; L150-S153 PolarHBondContact O-OG 2.79Å; L150-C154 HydrophobicContact CB-CB 4.45Å; L150-C154 WeakPolarHBondContact CD2-SG 3.47Å |
| 151 | G | 68.4 | Low | 78.6 | Confident | 57 Ų | 57 | 75 Ų | 75 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | 54.5 | -148.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S153 | G151-S153 PolarHBondContact O-N 3.18Å; G151-S153 VanDerWaalsContact O-N 3.16Å |
| 152 | G | 70.8 | Confident | 78.4 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 81% | 0.814 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -71.3 | -2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C154 G155 | G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.01Å; G152-G155 PolarHBondContact O-N 2.87Å |
| 153 | S | 79 | Confident | 78.2 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -69.5 | -21.1 | -172.5 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | L150 G151 | L150-S153 PolarHBondContact O-N 3.11Å; L150-S153 PolarHBondContact O-OG 2.79Å; G151-S153 PolarHBondContact O-N 3.18Å; G151-S153 VanDerWaalsContact O-N 3.16Å |
| 154 | C | 81.9 | Confident | 78 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 4% | 0.041 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -123.9 | 25.2 | 180 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | C138 L150 G152 K156 S157 C158 | C138-C154 WeakPolarHBondContact CA-SG 3.24Å; C138-C154 HydrophobicContact CB-CB 3.5Å; C138-C154 WeakPolarHBondContact CB-SG 3.49Å; C138-C154 VanDerWaalsContact SG-CA 3.53Å; C138-C154 WeakPolarHBondContact SG-CB 2.94Å; C138-C154 CovalentContact SG-SG 2.03Å; C138-C154 PolarHBondContact SG-SG 2.04Å; L150-C154 HydrophobicContact CB-CB 4.45Å; L150-C154 WeakPolarHBondContact CD2-SG 3.47Å; G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.01Å; C154-K156 VanDerWaalsContact C-N 3.29Å; C154-K156 PolarHBondContact O-N 2.96Å; C154-S157 PolarHBondContact O-N 3.23Å; C154-S157 VanDerWaalsContact O-N 3.11Å; C154-C158 PolarHBondContact O-N 3.11Å; C154-C158 VanDerWaalsContact O-N 3.11Å |
| 155 | G | 78.9 | Confident | 77.6 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 30% | 0.299 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.5 | -45.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G152 C158 G159 G160 | G152-G155 PolarHBondContact O-N 2.87Å; G155-C158 PolarHBondContact O-N 2.8Å; G155-G159 PolarHBondContact O-N 2.88Å; G155-G160 WeakPolarHBondContact O-CA 3.34Å; G155-G160 PolarHBondContact O-N 2.95Å |
| 156 | K | 80 | Confident | 77.2 | Confident | 201 Ų | 201 | 78.5 Ų | 78.5 | 87% | 0.874 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -44 | 179.4 | -68.9 | -176.7 | 177.3 | 179.6 | 0 | 113.9 | C154 C158 | C154-K156 VanDerWaalsContact C-N 3.29Å; C154-K156 PolarHBondContact O-N 2.96Å; K156-C158 VanDerWaalsContact C-N 3.28Å; K156-C158 PolarHBondContact O-N 3.38Å |
| 157 | S | 80.4 | Confident | 76.7 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 42% | 0.42 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | -24.3 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | C138 A142 C154 | C138-S157 WeakPolarHBondContact CB-OG 3.39Å; A142-S157 VanDerWaalsContact CB-O 3.24Å; A142-S157 WeakPolarHBondContact CB-O 3.37Å; C154-S157 PolarHBondContact O-N 3.23Å; C154-S157 VanDerWaalsContact O-N 3.11Å |
| 158 | C | 83.6 | Confident | 76.4 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 30% | 0.297 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | 11.3 | -179 | -72.3 | 0 | 0 | 0 | 0 | 114.1 | C147 C154 G155 K156 | C147-C158 WeakPolarHBondContact CA-SG 3.09Å; C147-C158 HydrophobicContact CB-CB 3.62Å; C147-C158 WeakPolarHBondContact CB-SG 3.07Å; C147-C158 VanDerWaalsContact SG-CA 3.52Å; C147-C158 WeakPolarHBondContact SG-CB 3.29Å; C147-C158 CovalentContact SG-SG 2.03Å; C147-C158 PolarHBondContact SG-SG 2.9Å; C154-C158 PolarHBondContact O-N 3.11Å; C154-C158 VanDerWaalsContact O-N 3.11Å; G155-C158 PolarHBondContact O-N 2.8Å; K156-C158 VanDerWaalsContact C-N 3.28Å; K156-C158 PolarHBondContact O-N 3.38Å |
| 159 | G | 77.7 | Confident | 76.2 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 68% | 0.68 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.9 | 17.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G155 | G155-G159 PolarHBondContact O-N 2.88Š|
| 160 | G | 74.8 | Confident | 75.9 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | trans | -75.2 | 126.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | G155 | G155-G160 WeakPolarHBondContact O-CA 3.34Å; G155-G160 PolarHBondContact O-N 2.95Å | ||
| 161 | C | 64.7 | Low | 76.4 | Confident | 207 Ų | 207 | 79.7 Ų | 79.7 | 100% | 1.399 | 59% | 0.587 | S | S | * | * | trans | -69.7 | 0 | 172.4 | -65.8 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 161 of 161 residues in 52.9 ms
(Link to these results)