| 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 | 40.2 | Very low | 48.3 | Very low | 231 Ų | 231 | 164.4 Ų | 164.4 | 100% | 1.138 | 83% | 0.831 | S | S | * | * | 0 | 91.5 | 0 | -100.7 | 179.4 | -112.7 | 0 | 0 | 106.4 | |||||
| 2 | T | 36.3 | Very low | 48.8 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | 56.2 | 95.3 | 85 | 59 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3 | Q | 45.6 | Very low | 49.6 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | -177.1 | 121.8 | 125.7 | -110.2 | 171.3 | -31.3 | 0 | 0 | 109.6 | |||||
| 4 | E | 45.4 | Very low | 50.5 | Low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -61.1 | 149.7 | 158.3 | -63.3 | 171.3 | 150.1 | 0 | 0 | 109.4 | ||||
| 5 | F | 46.4 | Very low | 51.3 | Low | 195 Ų | 195 | 153.3 Ų | 153.3 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -173.6 | 112.1 | 136.8 | -98.8 | -72.4 | 0 | 0 | 0 | 107.9 | ||||
| 6 | T | 46.9 | Very low | 51.9 | Low | 125 Ų | 125 | 155.7 Ų | 155.7 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | trans | -76.1 | 135.8 | 165.8 | 45.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | D | 43.3 | Very low | 52.4 | Low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -171.3 | 121.7 | 148.5 | -92.4 | -27.4 | 0 | 0 | 0 | 109.3 | ||||
| 8 | E | 51 | Low | 52.8 | Low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -159.9 | 94.3 | 134.3 | -118.4 | -172.5 | 161.1 | 0 | 0 | 108.5 | V10 | E8-V10 HydrophobicContact CG-CG2 4.05Š| ||
| 9 | I | 58.6 | Low | 53 | Low | 163 Ų | 163 | 151.1 Ų | 151.1 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -100.5 | 104.6 | 159 | -60.9 | 172.5 | 0 | 0 | 0 | 104.9 | ||||
| 10 | V | 60.6 | Low | 53.1 | Low | 110 Ų | 110 | 149.8 Ų | 149.8 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | trans | -121.7 | 116.8 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | E8 | E8-V10 HydrophobicContact CG-CG2 4.05Š| ||
| 11 | H | 56.5 | Low | 53.2 | Low | 167 Ų | 167 | 149.5 Ų | 149.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 10.2 | 120.2 | 164.5 | -70.6 | -76.5 | 0 | 0 | 0 | 120.7 | ||||
| 12 | G | 54.6 | Low | 53.9 | Low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -64.1 | 142.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | V | 59.2 | Low | 54.9 | Low | 134 Ų | 134 | 146.1 Ų | 146.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -124.6 | 121.2 | 168 | 180 | 0 | 0 | 0 | 0 | 107.8 | C15 | V13-C15 PolarHBondContact O-N 3Š| ||
| 14 | Q | 62.4 | Low | 55.7 | Low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -61.1 | 115.5 | 172.1 | -77.5 | 169 | -50.1 | 0 | 0 | 109.5 | Y16 | Q14-Y16 PolarHBondContact O-N 2.71Š| ||
| 15 | C | 62.3 | Low | 56.5 | Low | 126 Ų | 126 | 143 Ų | 143 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -77.2 | 101.8 | 167.9 | 46.3 | 0 | 0 | 0 | 0 | 109 | V13 S17 | V13-C15 PolarHBondContact O-N 3Å; C15-S17 PolarHBondContact O-N 2.95Å | ||
| 16 | Y | 61.5 | Low | 57.5 | Low | 191 Ų | 191 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -67.5 | 127.5 | 169.1 | -64.3 | -81 | 0 | 0 | 0 | 109.5 | Q14 Q18 | Q14-Y16 PolarHBondContact O-N 2.71Å; Y16-Q18 PolarHBondContact O-N 3.15Å | ||
| 17 | S | 59.6 | Low | 58.5 | Low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 99.4 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 110 | C15 C19 | C15-S17 PolarHBondContact O-N 2.95Å; S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.98Å; S17-C19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | Q | 59.5 | Low | 59.9 | Low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 85.2 | 161.4 | -69.1 | -179.6 | -8.7 | 0 | 0 | 108.2 | Y16 P20 | Y16-Q18 PolarHBondContact O-N 3.15Å; Q18-P20 WeakPolarHBondContact O-CD 3.41Å | ||
| 19 | C | 57.6 | Low | 61.2 | Low | 76 Ų | 76 | 141 Ų | 141 | 51% | 0.514 | 77% | 0.773 | S | S | . | * | trans | -109.8 | 89.3 | 162 | -159.2 | 0 | 0 | 0 | 0 | 107.3 | S17 E21 | S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.98Å; S17-C19 VanDerWaalsContact O-N 3.15Å; C19-E21 PolarHBondContact O-N 3.26Å | ||
| 20 | P | 53.6 | Low | 62.2 | Low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 57.4 | 169.1 | 36.9 | -31.2 | 0 | 0 | 0 | 108.2 | Q18 | Q18-P20 WeakPolarHBondContact O-CD 3.41Š| ||
| 21 | E | 55.4 | Low | 63.3 | Low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -136.4 | 108.8 | 163.1 | -74.5 | -170.7 | 170.3 | 0 | 0 | 104.8 | C19 K23 | C19-E21 PolarHBondContact O-N 3.26Å; E21-K23 PolarHBondContact O-N 3.26Å |
| 22 | T | 56.6 | Low | 64.8 | Low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -54.3 | 87.8 | 169.4 | 39.4 | 0 | 0 | 0 | 0 | 108 | S24 | T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 3Å | ||
| 23 | K | 56.4 | Low | 66.3 | Low | 140 Ų | 140 | 148 Ų | 148 | 61% | 0.609 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 98.1 | 166.1 | -71.4 | -173.3 | -179.3 | 180 | 0 | 105.2 | E21 F25 | E21-K23 PolarHBondContact O-N 3.26Å; K23-F25 HydrophobicContact CB-CE2 4.31Å; K23-F25 HydrophobicContact CB-CZ 4.24Å; K23-F25 WeakPolarHBondContact O-CD2 3.37Å; K23-F25 WeakPolarHBondContact O-CE2 3.16Å; K23-F25 PolarHBondContact O-N 3.48Å | ||
| 24 | S | 62.3 | Low | 67.8 | Low | 115 Ų | 115 | 146.8 Ų | 146.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -60.5 | 104 | 168.1 | 54.2 | 0 | 0 | 0 | 0 | 107.1 | T22 A26 | T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 3Å; S24-A26 PolarHBondContact O-N 3.01Å | ||
| 25 | F | 63.1 | Low | 69 | Low | 185 Ų | 185 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 108.1 | 166 | -59.3 | -82.9 | 0 | 0 | 0 | 106.4 | K23 | K23-F25 HydrophobicContact CB-CE2 4.31Å; K23-F25 HydrophobicContact CB-CZ 4.24Å; K23-F25 WeakPolarHBondContact O-CD2 3.37Å; K23-F25 WeakPolarHBondContact O-CE2 3.16Å; K23-F25 PolarHBondContact O-N 3.48Å | ||
| 26 | A | 66 | Low | 70.2 | Confident | 81 Ų | 81 | 151.2 Ų | 151.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 98.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | S24 L28 | S24-A26 PolarHBondContact O-N 3.01Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.21Å | ||
| 27 | E | 68.3 | Low | 71.5 | Confident | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -67 | 98.3 | 162.3 | -88.9 | -174.8 | 156.7 | 0 | 0 | 107.8 | Q29 | E27-Q29 PolarHBondContact O-N 3.34Š| ||
| 28 | L | 73.7 | Confident | 72.9 | Confident | 155 Ų | 155 | 148.1 Ų | 148.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 100.7 | 170.4 | -87.9 | 155.8 | 0 | 0 | 0 | 108.2 | A26 M30 | A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.21Å; L28-M30 PolarHBondContact O-N 3.36Å | ||
| 29 | Q | 77.2 | Confident | 74.2 | Confident | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 111.8 | 162.1 | -70.2 | -177.2 | -9.5 | 0 | 0 | 108.1 | E27 | E27-Q29 PolarHBondContact O-N 3.34Š| ||
| 30 | M | 79.8 | Confident | 75.6 | Confident | 177 Ų | 177 | 155 Ų | 155 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -110.5 | 108.2 | 173.5 | -131.7 | 178.2 | 77.5 | 0 | 0 | 108 | L28 | L28-M30 PolarHBondContact O-N 3.36Š| ||
| 31 | Q | 84.2 | Confident | 77 | Confident | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 129.4 | 172.7 | -172.8 | 171 | -3.2 | 0 | 0 | 108.8 | ||
| 32 | T | 88 | Confident | 78.6 | Confident | 126 Ų | 126 | 152.6 Ų | 152.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 136.9 | 172.7 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 33 | E | 86.7 | Confident | 80 | Confident | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 144.4 | 175.1 | -64.5 | -174.9 | 175 | 0 | 0 | 110.9 | Y35 | E33-Y35 PolarHBondContact O-N 3.47Š|
| 34 | S | 89.5 | Confident | 81.4 | Confident | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 35 | Y | 87.5 | Confident | 82.8 | Confident | 202 Ų | 202 | 153.1 Ų | 153.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.9 | 173.3 | 66.4 | -81.7 | 0 | 0 | 0 | 109.9 | E33 V37 | E33-Y35 PolarHBondContact O-N 3.47Å; Y35-V37 HydrophobicContact CD2-CG2 3.49Å; Y35-V37 VanDerWaalsContact CD2-CG2 3.49Å; Y35-V37 HydrophobicContact CE2-CG2 3.24Å |
| 36 | K | 88.7 | Confident | 83.9 | Confident | 169 Ų | 169 | 154 Ų | 154 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 116.9 | 174.8 | -65.6 | 177.2 | -177.6 | 172 | 0 | 108.9 | F38 | K36-F38 HydrophobicContact CB-CD2 4.44Å; K36-F38 HydrophobicContact CB-CE2 3.66Å; K36-F38 HydrophobicContact CB-CZ 3.95Å; K36-F38 HydrophobicContact CD-CZ 4.22Å |
| 37 | V | 88.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 158.9 Ų | 158.9 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 126.6 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | Y35 | Y35-V37 HydrophobicContact CD2-CG2 3.49Å; Y35-V37 VanDerWaalsContact CD2-CG2 3.49Å; Y35-V37 HydrophobicContact CE2-CG2 3.24Å |
| 38 | F | 88.3 | Confident | 86.2 | Confident | 152 Ų | 152 | 159.9 Ų | 159.9 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -113.9 | 120.4 | 169.7 | -60.1 | -82.7 | 0 | 0 | 0 | 108.7 | K36 R40 | K36-F38 HydrophobicContact CB-CD2 4.44Å; K36-F38 HydrophobicContact CB-CE2 3.66Å; K36-F38 HydrophobicContact CB-CZ 3.95Å; K36-F38 HydrophobicContact CD-CZ 4.22Å; F38-R40 PolarHBondContact O-N 3.3Å | ||
| 39 | H | 87.1 | Confident | 87.1 | Confident | 181 Ų | 181 | 158.3 Ų | 158.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -73.5 | 115.8 | 170.3 | -65.3 | -75.2 | 0 | 0 | 0 | 108.9 | ||||
| 40 | R | 85.9 | Confident | 87.7 | Confident | 226 Ų | 226 | 156.8 Ų | 156.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -111.2 | 118.2 | 169.4 | -67.6 | -174.5 | 179.2 | 178.7 | 0.5 | 108.3 | F38 | F38-R40 PolarHBondContact O-N 3.3Š| ||
| 41 | G | 84.8 | Confident | 88.2 | Confident | 80 Ų | 80 | 156.9 Ų | 156.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -83.3 | 131 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 42 | T | 87.4 | Confident | 88.5 | Confident | 139 Ų | 139 | 154.9 Ų | 154.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -113.3 | 134.2 | 162 | -52.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 43 | Q | 87.3 | Confident | 88.7 | Confident | 153 Ų | 153 | 157.2 Ų | 157.2 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -112.4 | 136.1 | 173.9 | -63.9 | -172.4 | 27.5 | 0 | 0 | 109.1 | ||||
| 44 | S | 86.1 | Confident | 88.7 | Confident | 103 Ų | 103 | 154.3 Ų | 154.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 165.5 | 166.6 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | R46 | S44-R46 PolarHBondContact O-N 3.12Å; S44-R46 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 90 | Very high | 88.4 | Confident | 156 Ų | 156 | 155.5 Ų | 155.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 118.6 | 176.5 | -174.1 | 173.4 | 177.7 | -174.5 | 0 | 110 | Y47 | K45-Y47 HydrophobicContact CB-CE2 4.44Å; K45-Y47 HydrophobicContact CD-CE1 4.18Å; K45-Y47 HydrophobicContact CD-CE2 4.03Å; K45-Y47 WeakPolarHBondContact CD-OH 3.41Å; K45-Y47 VanDerWaalsContact CE-CE1 3.49Å; K45-Y47 VanDerWaalsContact CE-CZ 3.45Å; K45-Y47 WeakPolarHBondContact CE-OH 3.42Å; K45-Y47 HydrophobicContact CG-CD2 4.49Å; K45-Y47 HydrophobicContact CG-CE2 3.95Å; K45-Y47 PolarHBondContact NZ-OH 3.28Å |
| 46 | R | 87.4 | Confident | 87.8 | Confident | 202 Ų | 202 | 155.1 Ų | 155.1 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 134.2 | 171.4 | -66.5 | -175.1 | 177.2 | 179.1 | -1 | 109.1 | S44 | S44-R46 PolarHBondContact O-N 3.12Å; S44-R46 VanDerWaalsContact O-N 3.12Å |
| 47 | Y | 90.8 | Very high | 86.8 | Confident | 185 Ų | 185 | 152.3 Ų | 152.3 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 139.3 | 174.1 | -64.6 | -93.9 | 0 | 0 | 0 | 108.7 | K45 | K45-Y47 HydrophobicContact CB-CE2 4.44Å; K45-Y47 HydrophobicContact CD-CE1 4.18Å; K45-Y47 HydrophobicContact CD-CE2 4.03Å; K45-Y47 WeakPolarHBondContact CD-OH 3.41Å; K45-Y47 VanDerWaalsContact CE-CE1 3.49Å; K45-Y47 VanDerWaalsContact CE-CZ 3.45Å; K45-Y47 WeakPolarHBondContact CE-OH 3.42Å; K45-Y47 HydrophobicContact CG-CD2 4.49Å; K45-Y47 HydrophobicContact CG-CE2 3.95Å; K45-Y47 PolarHBondContact NZ-OH 3.28Å |
| 48 | K | 90.6 | Very high | 85.4 | Confident | 203 Ų | 203 | 157 Ų | 157 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -118.7 | 125.7 | 170.1 | -174.7 | 178.3 | -179.8 | -176.9 | 0 | 107.1 | ||||
| 49 | T | 92.4 | Very high | 83.8 | Confident | 122 Ų | 122 | 157.3 Ų | 157.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -78.1 | 137.5 | 174.1 | -48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 50 | Q | 89.8 | Confident | 82.2 | Confident | 151 Ų | 151 | 154.5 Ų | 154.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -128.2 | 127.6 | 169.7 | -176.9 | 176 | -3.6 | 0 | 0 | 107.3 | L52 | Q50-L52 HydrophobicContact CG-CD1 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.39Å | ||
| 51 | E | 92.3 | Very high | 80.7 | Confident | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -98 | 133.8 | 174.5 | -63.9 | 176.8 | 174.8 | 0 | 0 | 107.9 | ||||
| 52 | L | 89.4 | Confident | 79.2 | Confident | 144 Ų | 144 | 152.5 Ų | 152.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -130.3 | 132 | 172.7 | -64.4 | 105 | 0 | 0 | 0 | 107.9 | Q50 | Q50-L52 HydrophobicContact CG-CD1 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.39Å | ||
| 53 | Q | 91.7 | Very high | 77.6 | Confident | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -105.6 | 129.1 | 171.3 | -178.1 | 171.8 | -19.9 | 0 | 0 | 108 | ||||
| 54 | T | 88.2 | Confident | 75.8 | Confident | 120 Ų | 120 | 151.1 Ų | 151.1 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -80.3 | 121.7 | 173 | 51.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 55 | D | 83.2 | Confident | 74 | Confident | 132 Ų | 132 | 152.4 Ų | 152.4 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -71.1 | 135.1 | 172.3 | -67.5 | -32.2 | 0 | 0 | 0 | 110.3 | C57 | D55-C57 VanDerWaalsContact C-N 3.29Å; D55-C57 PolarHBondContact O-N 2.75Å | ||
| 56 | F | 72.9 | Confident | 72.3 | Confident | 194 Ų | 194 | 151.1 Ų | 151.1 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -77.1 | 85 | 165.5 | -80.4 | -86.6 | 0 | 0 | 0 | 108.1 | Y58 | F56-Y58 PolarHBondContact O-N 2.72Å; F56-Y58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | C | 67.8 | Low | 70.7 | Confident | 110 Ų | 110 | 148 Ų | 148 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 105 | 165.8 | -67.3 | 0 | 0 | 0 | 0 | 108.2 | D55 Q59 | D55-C57 VanDerWaalsContact C-N 3.29Å; D55-C57 PolarHBondContact O-N 2.75Å; C57-Q59 PolarHBondContact O-N 3.37Å | ||
| 58 | Y | 59.4 | Low | 68.9 | Low | 189 Ų | 189 | 142.4 Ų | 142.4 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -56.8 | 122.1 | 161.8 | -73.5 | -86 | 0 | 0 | 0 | 107.3 | F56 D60 | F56-Y58 PolarHBondContact O-N 2.72Å; F56-Y58 VanDerWaalsContact O-N 3.13Å; Y58-D60 PolarHBondContact O-N 3.36Å | ||
| 59 | Q | 55.9 | Low | 67.3 | Low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.1 | 178.6 | -69.5 | 179 | -11.8 | 0 | 0 | 111.8 | C57 E61 A62 V63 | C57-Q59 PolarHBondContact O-N 3.37Å; Q59-E61 PolarHBondContact O-N 3.17Å; Q59-A62 PolarHBondContact O-N 3Å; Q59-V63 WeakPolarHBondContact O-CG2 3.3Å; Q59-V63 PolarHBondContact O-N 3.06Å |
| 60 | D | 53.3 | Low | 65.6 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68.3 | -29.7 | -173.7 | -65.1 | -30.7 | 0 | 0 | 0 | 114.7 | Y58 | Y58-D60 PolarHBondContact O-N 3.36Å |
| 61 | E | 54 | Low | 64 | Low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -77.2 | -23.8 | 178.5 | -70.8 | -168.6 | 166.9 | 0 | 0 | 113 | Q59 | Q59-E61 PolarHBondContact O-N 3.17Å |
| 62 | A | 53.1 | Low | 62.5 | Low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -87.4 | -19.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q59 | Q59-A62 PolarHBondContact O-N 3Å |
| 63 | V | 53.6 | Low | 61.1 | Low | 90 Ų | 90 | 132.9 Ų | 132.9 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -87.8 | -11.4 | -172.5 | 172.9 | 0 | 0 | 0 | 0 | 113.1 | Q59 N65 | Q59-V63 WeakPolarHBondContact O-CG2 3.3Å; Q59-V63 PolarHBondContact O-N 3.06Å; V63-N65 PolarHBondContact O-N 3.2Å |
| 64 | H | 50.2 | Low | 59.8 | Low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 2.2 | -179.3 | -117.7 | 62.6 | 0 | 0 | 0 | 115.8 | ||
| 65 | N | 48.3 | Very low | 58.8 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 19.4 | -178.8 | -79.5 | -20.5 | 0 | 0 | 0 | 114.9 | V63 I67 | V63-N65 PolarHBondContact O-N 3.2Å; N65-I67 PolarHBondContact O-N 2.88Å |
| 66 | D | 53.1 | Low | 58.3 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | trans | -73.5 | 68.8 | 161.7 | -83.3 | -9.8 | 0 | 0 | 0 | 109.9 | L68 | D66-L68 PolarHBondContact O-N 3.34Š| ||
| 67 | I | 54.2 | Low | 58.5 | Low | 136 Ų | 136 | 120 Ų | 120 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | trans | -72.9 | 70.7 | 158.9 | -51.4 | 175.5 | 0 | 0 | 0 | 106 | N65 T69 | N65-I67 PolarHBondContact O-N 2.88Å; I67-T69 PolarHBondContact O-N 3.4Å | ||
| 68 | L | 53.7 | Low | 59.2 | Low | 68 Ų | 68 | 118.3 Ų | 118.3 | 36% | 0.356 | 60% | 0.598 | S | S | . | * | trans | -54.6 | 129.5 | 158 | -75.7 | 164.1 | 0 | 0 | 0 | 106.5 | D66 D72 K73 E76 | D66-L68 PolarHBondContact O-N 3.34Å; L68-D72 HydrophobicContact CB-CB 4.12Å; L68-D72 HydrophobicContact CD2-CB 3.73Å; L68-K73 HydrophobicContact CB-CD 4.44Å; L68-K73 HydrophobicContact CB-CG 3.48Å; L68-K73 VanDerWaalsContact CB-CG 3.48Å; L68-K73 WeakPolarHBondContact O-CD 3.36Å; L68-K73 WeakPolarHBondContact O-CE 3.1Å; L68-K73 WeakPolarHBondContact O-CG 3.34Å; L68-E76 HydrophobicContact CD1-CG 4.22Å | ||
| 69 | T | 55.8 | Low | 60.4 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | trans | -57 | 151.7 | 173.4 | 66.7 | 0 | 0 | 0 | 0 | 109 | I67 R71 D72 K73 | I67-T69 PolarHBondContact O-N 3.4Å; T69-R71 PolarHBondContact O-N 2.9Å; T69-D72 WeakPolarHBondContact O-CA 3.4Å; T69-D72 PolarHBondContact O-N 2.78Å; T69-D72 PolarHBondContact OG1-OD2 3.34Å; T69-K73 PolarHBondContact O-N 2.81Å | ||
| 70 | D | 58.1 | Low | 62 | Low | 145 Ų | 145 | 113.5 Ų | 113.5 | 78% | 0.775 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.2 | -26.5 | -173.6 | -146.9 | 19.2 | 0 | 0 | 0 | 113.4 | L74 | D70-L74 PolarHBondContact O-N 3.31Å |
| 71 | R | 56.4 | Low | 63.7 | Low | 210 Ų | 210 | 112.2 Ų | 112.2 | 79% | 0.792 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.5 | -39.5 | 172.8 | -74.8 | -173.2 | 174.4 | -175.9 | -1 | 114.1 | T69 T75 | T69-R71 PolarHBondContact O-N 2.9Å; R71-T75 PolarHBondContact O-N 3.28Å; R71-T75 VanDerWaalsContact O-N 3.15Å; R71-T75 PolarHBondContact O-OG1 2.82Å |
| 72 | D | 59.3 | Low | 65.4 | Low | 78 Ų | 78 | 107.3 Ų | 107.3 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -35.6 | 176.1 | -61.3 | -39.8 | 0 | 0 | 0 | 110.4 | L68 T69 T75 E76 | L68-D72 HydrophobicContact CB-CB 4.12Å; L68-D72 HydrophobicContact CD2-CB 3.73Å; T69-D72 WeakPolarHBondContact O-CA 3.4Å; T69-D72 PolarHBondContact O-N 2.78Å; T69-D72 PolarHBondContact OG1-OD2 3.34Å; D72-T75 PolarHBondContact O-N 3.15Å; D72-E76 WeakPolarHBondContact O-CB 3.41Å; D72-E76 WeakPolarHBondContact O-CG 3.48Å; D72-E76 PolarHBondContact O-N 3Å |
| 73 | K | 60.2 | Low | 67.3 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 37% | 0.37 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 171.3 | -74 | -175.8 | 173.2 | 175.8 | 0 | 112 | L68 T69 T75 E76 E77 | L68-K73 HydrophobicContact CB-CD 4.44Å; L68-K73 HydrophobicContact CB-CG 3.48Å; L68-K73 VanDerWaalsContact CB-CG 3.48Å; L68-K73 WeakPolarHBondContact O-CD 3.36Å; L68-K73 WeakPolarHBondContact O-CE 3.1Å; L68-K73 WeakPolarHBondContact O-CG 3.34Å; T69-K73 PolarHBondContact O-N 2.81Å; K73-T75 VanDerWaalsContact C-N 3.28Å; K73-T75 PolarHBondContact O-N 2.92Å; K73-E76 PolarHBondContact O-N 3.2Å; K73-E77 VanDerWaalsContact O-CB 3.26Å; K73-E77 WeakPolarHBondContact O-CB 3.13Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.8Å |
| 74 | L | 64.5 | Low | 69.2 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 178.7 | -169.9 | 69.1 | 0 | 0 | 0 | 112.2 | D70 T78 | D70-L74 PolarHBondContact O-N 3.31Å; L74-T78 WeakPolarHBondContact O-CB 3.46Å; L74-T78 PolarHBondContact O-N 3.44Å; L74-T78 PolarHBondContact O-OG1 3.09Å |
| 75 | T | 68.6 | Low | 71.2 | Confident | 64 Ų | 64 | 107.9 Ų | 107.9 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | R71 D72 K73 T78 R79 | R71-T75 PolarHBondContact O-N 3.28Å; R71-T75 VanDerWaalsContact O-N 3.15Å; R71-T75 PolarHBondContact O-OG1 2.82Å; D72-T75 PolarHBondContact O-N 3.15Å; K73-T75 VanDerWaalsContact C-N 3.28Å; K73-T75 PolarHBondContact O-N 2.92Å; T75-T78 PolarHBondContact O-N 3.3Å; T75-R79 VanDerWaalsContact O-CG 3.3Å; T75-R79 WeakPolarHBondContact O-CG 3.28Å; T75-R79 PolarHBondContact O-N 3.48Å |
| 76 | E | 72.3 | Confident | 73.4 | Confident | 66 Ų | 66 | 109.8 Ų | 109.8 | 31% | 0.308 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 176.1 | -69.6 | -54.1 | 122.9 | 0 | 0 | 111.9 | L68 D72 K73 T78 R79 I80 | L68-E76 HydrophobicContact CD1-CG 4.22Å; D72-E76 WeakPolarHBondContact O-CB 3.41Å; D72-E76 WeakPolarHBondContact O-CG 3.48Å; D72-E76 PolarHBondContact O-N 3Å; K73-E76 PolarHBondContact O-N 3.2Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 2.86Å; E76-R79 PolarHBondContact O-N 3.19Å; E76-R79 WeakPolarHBondContact OE1-CD 3.44Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 3.81Å; E76-R79 IonicContact OE1-NH1 2.72Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; E76-I80 WeakPolarHBondContact O-CB 3.21Å; E76-I80 WeakPolarHBondContact O-CD1 3.43Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.26Å |
| 77 | E | 76.3 | Confident | 75.4 | Confident | 108 Ų | 108 | 104.9 Ų | 104.9 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 171.6 | -77.8 | 175 | -174 | 0 | 0 | 111.3 | K73 I80 L81 | K73-E77 VanDerWaalsContact O-CB 3.26Å; K73-E77 WeakPolarHBondContact O-CB 3.13Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.8Å; E77-I80 PolarHBondContact O-N 2.85Å; E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.21Å; E77-L81 PolarHBondContact O-N 3.44Å |
| 78 | T | 82.1 | Confident | 77.4 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 177.7 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | L74 T75 E76 L81 C82 | L74-T78 WeakPolarHBondContact O-CB 3.46Å; L74-T78 PolarHBondContact O-N 3.44Å; L74-T78 PolarHBondContact O-OG1 3.09Å; T75-T78 PolarHBondContact O-N 3.3Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 2.86Å; T78-L81 PolarHBondContact O-N 3.45Å; T78-C82 WeakPolarHBondContact O-CB 3.39Å; T78-C82 PolarHBondContact O-N 3.4Å; T78-C82 PolarHBondContact O-SG 2.8Å; T78-C82 VanDerWaalsContact O-SG 3.36Å |
| 79 | R | 85 | Confident | 79.4 | Confident | 154 Ų | 154 | 104.3 Ų | 104.3 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 175.4 | -74.2 | 169.9 | 176.9 | -175.9 | -1.2 | 112 | T75 E76 C82 F83 | T75-R79 VanDerWaalsContact O-CG 3.3Å; T75-R79 WeakPolarHBondContact O-CG 3.28Å; T75-R79 PolarHBondContact O-N 3.48Å; E76-R79 PolarHBondContact O-N 3.19Å; E76-R79 WeakPolarHBondContact OE1-CD 3.44Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 3.81Å; E76-R79 IonicContact OE1-NH1 2.72Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; R79-C82 PolarHBondContact O-N 2.86Å; R79-F83 WeakPolarHBondContact O-CB 3.29Å; R79-F83 PolarHBondContact O-N 2.87Å |
| 80 | I | 89 | Confident | 81.3 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.2 | -68.9 | 164.2 | 0 | 0 | 0 | 110 | E76 E77 C82 F83 L84 | E76-I80 WeakPolarHBondContact O-CB 3.21Å; E76-I80 WeakPolarHBondContact O-CD1 3.43Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.26Å; E77-I80 PolarHBondContact O-N 2.85Å; I80-C82 VanDerWaalsContact C-N 3.35Å; I80-C82 PolarHBondContact O-N 2.8Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 PolarHBondContact O-N 3.13Å; I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 HydrophobicContact CG2-CG 4.27Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.33Å |
| 81 | L | 89.6 | Confident | 83.1 | Confident | 95 Ų | 95 | 102.9 Ų | 102.9 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.2 | -74.3 | 172.7 | 0 | 0 | 0 | 111.7 | E77 T78 L84 K85 | E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.21Å; E77-L81 PolarHBondContact O-N 3.44Å; T78-L81 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 3.4Å; L81-K85 VanDerWaalsContact O-CB 3.3Å; L81-K85 WeakPolarHBondContact O-CB 3.41Å; L81-K85 VanDerWaalsContact O-CG 3.27Å; L81-K85 WeakPolarHBondContact O-CG 3.27Å; L81-K85 PolarHBondContact O-N 2.78Å |
| 82 | C | 89.6 | Confident | 84.9 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.4 | -79.4 | 0 | 0 | 0 | 0 | 111.9 | T78 R79 I80 R86 | T78-C82 WeakPolarHBondContact O-CB 3.39Å; T78-C82 PolarHBondContact O-N 3.4Å; T78-C82 PolarHBondContact O-SG 2.8Å; T78-C82 VanDerWaalsContact O-SG 3.36Å; R79-C82 PolarHBondContact O-N 2.86Å; I80-C82 VanDerWaalsContact C-N 3.35Å; I80-C82 PolarHBondContact O-N 2.8Å; C82-R86 VanDerWaalsContact O-CB 3.28Å; C82-R86 WeakPolarHBondContact O-CB 3.11Å; C82-R86 PolarHBondContact O-N 3.37Å |
| 83 | F | 93.4 | Very high | 86.6 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 174.1 | 172.6 | -97.3 | 0 | 0 | 0 | 111 | R79 I80 K85 R86 T87 | R79-F83 WeakPolarHBondContact O-CB 3.29Å; R79-F83 PolarHBondContact O-N 2.87Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 PolarHBondContact O-N 3.13Å; F83-K85 PolarHBondContact O-N 3.04Å; F83-R86 WeakPolarHBondContact O-CB 3.42Å; F83-R86 PolarHBondContact O-N 3.28Å; F83-R86 VanDerWaalsContact O-N 3.09Å; F83-T87 HydrophobicContact CD1-CG2 4.45Å; F83-T87 HydrophobicContact CD2-CG2 4.02Å; F83-T87 HydrophobicContact CE1-CG2 4.09Å; F83-T87 HydrophobicContact CE2-CG2 3.62Å; F83-T87 HydrophobicContact CG-CG2 4.41Å; F83-T87 HydrophobicContact CZ-CG2 3.67Å; F83-T87 WeakPolarHBondContact O-CG2 3.34Å; F83-T87 PolarHBondContact O-N 3.02Å; F83-T87 PolarHBondContact O-OG1 2.88Å |
| 84 | L | 93.9 | Very high | 88.2 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 179.9 | -70.6 | 176.4 | 0 | 0 | 0 | 111.5 | I80 L81 R86 T87 E88 | I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 HydrophobicContact CG2-CG 4.27Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.33Å; L81-L84 PolarHBondContact O-N 3.4Å; L84-R86 PolarHBondContact O-N 2.67Å; L84-T87 PolarHBondContact O-N 3.2Å; L84-T87 PolarHBondContact O-OG1 3.22Å; L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.72Å |
| 85 | K | 92.6 | Very high | 89.7 | Confident | 157 Ų | 157 | 96.5 Ų | 96.5 | 68% | 0.683 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.8 | -32.5 | 175.7 | -76.1 | 180 | 178.1 | -178.9 | 0 | 112.8 | L81 F83 P89 | L81-K85 VanDerWaalsContact O-CB 3.3Å; L81-K85 WeakPolarHBondContact O-CB 3.41Å; L81-K85 VanDerWaalsContact O-CG 3.27Å; L81-K85 WeakPolarHBondContact O-CG 3.27Å; L81-K85 PolarHBondContact O-N 2.78Å; F83-K85 PolarHBondContact O-N 3.04Å; K85-P89 WeakPolarHBondContact O-CD 3.43Å |
| 86 | R | 93.7 | Very high | 90.9 | Very high | 171 Ų | 171 | 99.1 Ų | 99.1 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76.9 | -39.9 | 176.6 | -176 | 177.6 | 68.1 | 168.2 | 1.2 | 112.2 | C82 F83 L84 | C82-R86 VanDerWaalsContact O-CB 3.28Å; C82-R86 WeakPolarHBondContact O-CB 3.11Å; C82-R86 PolarHBondContact O-N 3.37Å; F83-R86 WeakPolarHBondContact O-CB 3.42Å; F83-R86 PolarHBondContact O-N 3.28Å; F83-R86 VanDerWaalsContact O-N 3.09Å; L84-R86 PolarHBondContact O-N 2.67Å |
| 87 | T | 95.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 101 Ų | 101 | 17% | 0.166 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -85.9 | -33.5 | -174.4 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | F83 L84 I90 I91 | F83-T87 HydrophobicContact CD1-CG2 4.45Å; F83-T87 HydrophobicContact CD2-CG2 4.02Å; F83-T87 HydrophobicContact CE1-CG2 4.09Å; F83-T87 HydrophobicContact CE2-CG2 3.62Å; F83-T87 HydrophobicContact CG-CG2 4.41Å; F83-T87 HydrophobicContact CZ-CG2 3.67Å; F83-T87 WeakPolarHBondContact O-CG2 3.34Å; F83-T87 PolarHBondContact O-N 3.02Å; F83-T87 PolarHBondContact O-OG1 2.88Å; L84-T87 PolarHBondContact O-N 3.2Å; L84-T87 PolarHBondContact O-OG1 3.22Å; T87-I90 PolarHBondContact O-N 3.44Å; T87-I90 VanDerWaalsContact O-N 3.13Å; T87-I91 WeakPolarHBondContact O-CG1 3.44Å; T87-I91 PolarHBondContact O-N 2.82Å |
| 88 | E | 95.4 | Very high | 92.4 | Very high | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -49.7 | -53 | -179.6 | -175.9 | -132.3 | 155.6 | 0 | 0 | 112.7 | L84 I90 I91 T92 | L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.72Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.44Å; E88-I91 PolarHBondContact O-N 2.94Å; E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.28Å; E88-T92 PolarHBondContact O-N 3.43Å; E88-T92 PolarHBondContact O-OG1 3.21Å |
| 89 | P | 95.7 | Very high | 92.8 | Very high | 71 Ų | 71 | 103 Ų | 103 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -32.1 | -178.2 | 24.8 | -35 | 0 | 0 | 0 | 113 | K85 K93 | K85-P89 WeakPolarHBondContact O-CD 3.43Å; P89-K93 WeakPolarHBondContact O-CB 3.39Å; P89-K93 PolarHBondContact O-N 3.05Å; P89-K93 VanDerWaalsContact O-N 3.08Å |
| 90 | I | 95.9 | Very high | 92.8 | Very high | 105 Ų | 105 | 103 Ų | 103 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -50.4 | 179.3 | -58.2 | 172.3 | 0 | 0 | 0 | 109.7 | T87 E88 K93 E94 | T87-I90 PolarHBondContact O-N 3.44Å; T87-I90 VanDerWaalsContact O-N 3.13Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.44Å; I90-K93 PolarHBondContact O-N 3.15Å; I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 3.37Å |
| 91 | I | 95.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | -179.2 | -67.3 | 173.5 | 0 | 0 | 0 | 110 | T87 E88 K93 E94 I95 | T87-I91 WeakPolarHBondContact O-CG1 3.44Å; T87-I91 PolarHBondContact O-N 2.82Å; E88-I91 PolarHBondContact O-N 2.94Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.46Å; I91-E94 PolarHBondContact O-N 3.08Å; I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.1Å; I91-I95 WeakPolarHBondContact O-CB 3.48Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.18Å; I91-I95 PolarHBondContact O-N 2.93Å |
| 92 | T | 95.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 102.9 Ų | 102.9 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | E88 I95 Q96 | E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.28Å; E88-T92 PolarHBondContact O-N 3.43Å; E88-T92 PolarHBondContact O-OG1 3.21Å; T92-I95 PolarHBondContact O-N 3.27Å; T92-Q96 HydrophobicContact CG2-CG 4.44Å; T92-Q96 WeakPolarHBondContact O-CB 3.19Å; T92-Q96 VanDerWaalsContact O-CG 3.26Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.81Å |
| 93 | K | 95 | Very high | 92.1 | Very high | 124 Ų | 124 | 104 Ų | 104 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.9 | -179.4 | -179.7 | -178 | 179.4 | 0 | 112.3 | P89 I90 I91 K97 | P89-K93 WeakPolarHBondContact O-CB 3.39Å; P89-K93 PolarHBondContact O-N 3.05Å; P89-K93 VanDerWaalsContact O-N 3.08Å; I90-K93 PolarHBondContact O-N 3.15Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.46Å; K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.38Å; K93-K97 VanDerWaalsContact O-N 3.15Å |
| 94 | E | 93.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 106.5 Ų | 106.5 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 179.6 | -66 | -51.7 | 131.3 | 0 | 0 | 112.4 | I90 I91 K97 N98 | I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 3.37Å; I91-E94 PolarHBondContact O-N 3.08Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.72Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; E94-K97 IonicContact OE2-NZ 3.62Å; E94-N98 WeakPolarHBondContact O-CB 3.13Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.9Å |
| 95 | I | 94.9 | Very high | 90.5 | Very high | 93 Ų | 93 | 110.8 Ų | 110.8 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 173.6 | -70.9 | 176 | 0 | 0 | 0 | 110.6 | I91 T92 K97 N98 I99 | I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.1Å; I91-I95 WeakPolarHBondContact O-CB 3.48Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.18Å; I91-I95 PolarHBondContact O-N 2.93Å; T92-I95 PolarHBondContact O-N 3.27Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; I95-N98 CarbonylContact O-C 3.59Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.1Å; I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.17Å |
| 96 | Q | 93.6 | Very high | 89.4 | Confident | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 177.5 | -76.4 | 176 | -10.9 | 0 | 0 | 112.3 | T92 H100 | T92-Q96 HydrophobicContact CG2-CG 4.44Å; T92-Q96 WeakPolarHBondContact O-CB 3.19Å; T92-Q96 VanDerWaalsContact O-CG 3.26Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.81Å; Q96-H100 PolarHBondContact O-CD2 2.98Å |
| 97 | K | 91.2 | Very high | 88.3 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 172.3 | -71.1 | 171.3 | -179.1 | 175 | 0 | 111.9 | K93 E94 I95 H100 S101 | K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.38Å; K93-K97 VanDerWaalsContact O-N 3.15Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.72Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; E94-K97 IonicContact OE2-NZ 3.62Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; K97-H100 PolarHBondContact O-N 3.2Å; K97-S101 PolarHBondContact O-N 3.09Å |
| 98 | N | 90 | Very high | 86.7 | Confident | 105 Ų | 105 | 116.2 Ų | 116.2 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.8 | -29.9 | -177 | -79.5 | -21.9 | 0 | 0 | 0 | 113.3 | E94 I95 H100 S101 | E94-N98 WeakPolarHBondContact O-CB 3.13Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.9Å; I95-N98 CarbonylContact O-C 3.59Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.1Å; N98-H100 VanDerWaalsContact C-N 3.25Å; N98-H100 PolarHBondContact O-N 2.77Å; N98-S101 WeakPolarHBondContact O-CB 3.45Å; N98-S101 PolarHBondContact O-N 3.31Å |
| 99 | I | 89.9 | Confident | 85.2 | Confident | 119 Ų | 119 | 114.5 Ų | 114.5 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.6 | -37.9 | 175.8 | -74.4 | 165 | 0 | 0 | 0 | 111.4 | I95 S101 | I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.17Å; I99-S101 VanDerWaalsContact C-N 3.31Å |
| 100 | H | 85.7 | Confident | 83.6 | Confident | 154 Ų | 154 | 120.2 Ų | 120.2 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -6.9 | 176.9 | -61.6 | -59.3 | 0 | 0 | 0 | 113.3 | Q96 K97 N98 K102 | Q96-H100 PolarHBondContact O-CD2 2.98Å; K97-H100 PolarHBondContact O-N 3.2Å; N98-H100 VanDerWaalsContact C-N 3.25Å; N98-H100 PolarHBondContact O-N 2.77Å; H100-K102 PolarHBondContact O-N 3.49Å |
| 101 | S | 86.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 124.7 Ų | 124.7 | 31% | 0.308 | 58% | 0.584 | S | S | . | * | trans | -68.8 | 131.8 | 179.2 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | K97 N98 I99 V103 | K97-S101 PolarHBondContact O-N 3.09Å; N98-S101 WeakPolarHBondContact O-CB 3.45Å; N98-S101 PolarHBondContact O-N 3.31Å; I99-S101 VanDerWaalsContact C-N 3.31Å; S101-V103 WeakPolarHBondContact OG-CB 3.13Å; S101-V103 WeakPolarHBondContact OG-CG2 3.28Å; S101-V103 PolarHBondContact OG-N 2.73Å | ||
| 102 | K | 83.9 | Confident | 80 | Confident | 140 Ų | 140 | 125.4 Ų | 125.4 | 61% | 0.609 | 59% | 0.588 | S | S | * | * | trans | -96.7 | 4.4 | 173.5 | -57.7 | -169.1 | -178.5 | 170.7 | 0 | 112.6 | H100 F104 R105 | H100-K102 PolarHBondContact O-N 3.49Å; K102-F104 PolarHBondContact O-N 2.94Å; K102-F104 VanDerWaalsContact O-N 3.09Å; K102-R105 HydrophobicContact CB-CG 4.15Å; K102-R105 WeakPolarHBondContact O-CB 3.2Å; K102-R105 PolarHBondContact O-N 3.02Å | ||
| 103 | V | 82 | Confident | 78.3 | Confident | 105 Ų | 105 | 132.4 Ų | 132.4 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -39.2 | -169.9 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | S101 | S101-V103 WeakPolarHBondContact OG-CB 3.13Å; S101-V103 WeakPolarHBondContact OG-CG2 3.28Å; S101-V103 PolarHBondContact OG-N 2.73Å |
| 104 | F | 78.5 | Confident | 76.7 | Confident | 162 Ų | 162 | 134.1 Ų | 134.1 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 6.1 | -178.3 | -54.6 | -70.3 | 0 | 0 | 0 | 115 | K102 R106 S107 | K102-F104 PolarHBondContact O-N 2.94Å; K102-F104 VanDerWaalsContact O-N 3.09Å; F104-R106 PolarHBondContact O-N 3Å; F104-R106 VanDerWaalsContact O-N 3.17Å; F104-S107 WeakPolarHBondContact O-CB 3.26Å; F104-S107 PolarHBondContact O-N 3.36Å |
| 105 | R | 74.9 | Confident | 75.1 | Confident | 178 Ų | 178 | 141.9 Ų | 141.9 | 67% | 0.672 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -25.9 | 179.1 | -74.1 | -170.1 | -176.3 | -169.6 | 0.9 | 113.2 | K102 | K102-R105 HydrophobicContact CB-CG 4.15Å; K102-R105 WeakPolarHBondContact O-CB 3.2Å; K102-R105 PolarHBondContact O-N 3.02Å |
| 106 | R | 71.1 | Confident | 73.8 | Confident | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 3.1 | 174.9 | -69.6 | -175.7 | 176.1 | 173.8 | -1.1 | 113.4 | F104 Q108 | F104-R106 PolarHBondContact O-N 3Å; F104-R106 VanDerWaalsContact O-N 3.17Å; R106-Q108 PolarHBondContact O-N 3.33Å |
| 107 | S | 70.1 | Confident | 72.9 | Confident | 85 Ų | 85 | 145.6 Ų | 145.6 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | -72.6 | 72.8 | 168 | -167.4 | 0 | 0 | 0 | 0 | 108.6 | F104 S109 | F104-S107 WeakPolarHBondContact O-CB 3.26Å; F104-S107 PolarHBondContact O-N 3.36Å; S107-S109 PolarHBondContact O-N 2.85Å | ||
| 108 | Q | 61.9 | Low | 72.3 | Confident | 148 Ų | 148 | 145.6 Ų | 145.6 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | trans | -71.5 | 93.8 | 158.5 | -69.9 | -172.5 | -3 | 0 | 0 | 105 | R106 R110 | R106-Q108 PolarHBondContact O-N 3.33Å; Q108-R110 PolarHBondContact O-N 3.42Å | ||
| 109 | S | 64.4 | Low | 71.8 | Confident | 83 Ų | 83 | 145 Ų | 145 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 87.8 | 156.4 | -166.2 | 0 | 0 | 0 | 0 | 105.2 | S107 R111 | S107-S109 PolarHBondContact O-N 2.85Å; S109-R111 PolarHBondContact O-N 3.4Å; S109-R111 WeakPolarHBondContact OG-CG 3.38Å | ||
| 110 | R | 60.5 | Low | 71.4 | Confident | 191 Ų | 191 | 144.9 Ų | 144.9 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -65.1 | 66.1 | 161.3 | -73 | -175.8 | 175.8 | -163 | -0.4 | 105.9 | Q108 L112 | Q108-R110 PolarHBondContact O-N 3.42Å; R110-L112 HydrophobicContact CB-CD2 4.2Å; R110-L112 WeakPolarHBondContact O-CG 3.45Å; R110-L112 PolarHBondContact O-N 3.1Å | ||
| 111 | R | 58.3 | Low | 71 | Confident | 200 Ų | 200 | 145.2 Ų | 145.2 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -65.2 | 99.3 | 152 | -67 | -165.4 | -164.7 | -169.6 | 4.3 | 102.8 | S109 F113 | S109-R111 PolarHBondContact O-N 3.4Å; S109-R111 WeakPolarHBondContact OG-CG 3.38Å; R111-F113 VanDerWaalsContact C-N 3.31Å; R111-F113 PolarHBondContact O-N 2.9Å | ||
| 112 | L | 59 | Low | 70.6 | Confident | 107 Ų | 107 | 146.4 Ų | 146.4 | 56% | 0.56 | 71% | 0.705 | S | S | * | * | trans | -58.2 | 90.3 | -166.7 | -64.7 | 160 | 0 | 0 | 0 | 109.4 | R110 Y114 | R110-L112 HydrophobicContact CB-CD2 4.2Å; R110-L112 WeakPolarHBondContact O-CG 3.45Å; R110-L112 PolarHBondContact O-N 3.1Å; L112-Y114 HydrophobicContact CB-CD2 3.7Å; L112-Y114 HydrophobicContact CB-CE2 3.84Å; L112-Y114 HydrophobicContact CD1-CD2 4.33Å; L112-Y114 HydrophobicContact CD1-CE2 3.74Å; L112-Y114 HydrophobicContact CD2-CD2 4.16Å; L112-Y114 HydrophobicContact CD2-CE2 3.5Å; L112-Y114 HydrophobicContact CG-CD2 4.25Å; L112-Y114 HydrophobicContact CG-CE2 3.85Å; L112-Y114 PolarHBondContact O-N 3.02Å | ||
| 113 | F | 58.6 | Low | 70.6 | Confident | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.873 | 70% | 0.702 | S | S | * | * | trans | -75.9 | 69.8 | 150.4 | -57.1 | -70.7 | 0 | 0 | 0 | 106.3 | R111 R115 | R111-F113 VanDerWaalsContact C-N 3.31Å; R111-F113 PolarHBondContact O-N 2.9Å; F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.91Å | ||
| 114 | Y | 61.2 | Low | 70.8 | Confident | 161 Ų | 161 | 141.1 Ų | 141.1 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | trans | -58.7 | 109.5 | 150.6 | -72.5 | -67.6 | 0 | 0 | 0 | 104 | L112 N116 | L112-Y114 HydrophobicContact CB-CD2 3.7Å; L112-Y114 HydrophobicContact CB-CE2 3.84Å; L112-Y114 HydrophobicContact CD1-CD2 4.33Å; L112-Y114 HydrophobicContact CD1-CE2 3.74Å; L112-Y114 HydrophobicContact CD2-CD2 4.16Å; L112-Y114 HydrophobicContact CD2-CE2 3.5Å; L112-Y114 HydrophobicContact CG-CD2 4.25Å; L112-Y114 HydrophobicContact CG-CE2 3.85Å; L112-Y114 PolarHBondContact O-N 3.02Å; Y114-N116 WeakPolarHBondContact CB-OD1 3.24Å; Y114-N116 PolarHBondContact O-N 3.2Å | ||
| 115 | R | 61.2 | Low | 71.2 | Confident | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | trans | -69.8 | 71.7 | 172.7 | -155.5 | -177.9 | -165 | -174.2 | 3.9 | 105.9 | F113 N117 | F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.91Å; R115-N117 PolarHBondContact O-N 3.22Å | ||
| 116 | N | 66.8 | Low | 71.8 | Confident | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | trans | -66.2 | 130.7 | 172.3 | -71.1 | -13.9 | 0 | 0 | 0 | 105.6 | Y114 A118 | Y114-N116 WeakPolarHBondContact CB-OD1 3.24Å; Y114-N116 PolarHBondContact O-N 3.2Å; N116-A118 PolarHBondContact O-N 2.73Å | ||
| 117 | N | 74.3 | Confident | 72.7 | Confident | 156 Ų | 156 | 121.1 Ų | 121.1 | 83% | 0.834 | 61% | 0.614 | S | S | * | * | trans | -55.5 | 131.7 | 168.4 | -70.1 | -14.1 | 0 | 0 | 0 | 107.3 | R115 A119 | R115-N117 PolarHBondContact O-N 3.22Å; N117-A119 PolarHBondContact O-N 2.95Å | ||
| 118 | A | 79 | Confident | 73.6 | Confident | 108 Ų | 108 | 121 Ų | 121 | 89% | 0.893 | 60% | 0.604 | S | S | * | * | trans | -60.6 | 107 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | N116 | N116-A118 PolarHBondContact O-N 2.73Š| ||
| 119 | A | 80.4 | Confident | 74.9 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | trans | -89 | 136.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | N117 K121 | N117-A119 PolarHBondContact O-N 2.95Å; A119-K121 PolarHBondContact O-N 2.92Å; A119-K121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | V | 80.5 | Confident | 76 | Confident | 118 Ų | 118 | 117.6 Ų | 117.6 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | trans | -68.2 | 111.8 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 121 | K | 78.1 | Confident | 77.5 | Confident | 160 Ų | 160 | 116 Ų | 116 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | trans | -75.2 | -55.6 | 178.3 | -171.7 | 177.5 | 178.3 | 179.3 | 0 | 110.7 | A119 E175 | A119-K121 PolarHBondContact O-N 2.92Å; A119-K121 VanDerWaalsContact O-N 3.15Å; K121-E175 IonicContact NZ-OE1 2.62Å | ||
| 122 | N | 78.4 | Confident | 78.9 | Confident | 69 Ų | 69 | 109.1 Ų | 109.1 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | trans | -134 | 142.2 | -173.9 | -69.4 | -3.9 | 0 | 0 | 0 | 110.5 | L179 | N122-L179 HydrophobicContact CB-CD2 3.79Š| ||
| 123 | T | 84 | Confident | 80.3 | Confident | 86 Ų | 86 | 112.7 Ų | 112.7 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | trans | -117.2 | 112.9 | 169.4 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | I125 L179 | T123-I125 HydrophobicContact CG2-CD1 4.19Å; T123-I125 HydrophobicContact CG2-CG1 3.97Å; T123-L179 WeakPolarHBondContact O-CD2 3.49Å | ||
| 124 | L | 85.7 | Confident | 81.9 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 26% | 0.257 | 54% | 0.535 | S | S | . | . | trans | -88.7 | 119.6 | -179.9 | -57.1 | 177.5 | 0 | 0 | 0 | 109 | L148 I150 W170 V172 L179 | L124-L148 HydrophobicContact CD1-CD2 3.99Å; L124-I150 HydrophobicContact CD1-CD1 4.49Å; L124-W170 HydrophobicContact CB-CD2 4.25Å; L124-W170 HydrophobicContact CB-CZ2 4.38Å; L124-W170 HydrophobicContact CD1-CB 3.82Å; L124-W170 HydrophobicContact CD1-CD2 4.08Å; L124-W170 HydrophobicContact CD1-CG 3.76Å; L124-W170 HydrophobicContact CD2-CD2 4.03Å; L124-W170 HydrophobicContact CD2-CE3 3.67Å; L124-W170 HydrophobicContact CD2-CG 4.48Å; L124-W170 HydrophobicContact CD2-CZ3 4.08Å; L124-W170 HydrophobicContact CG-CD2 4.34Å; L124-W170 HydrophobicContact CG-CE3 4.46Å; L124-V172 HydrophobicContact CD1-CG2 4.45Å; L124-L179 HydrophobicContact CD2-CD2 4.46Å | ||
| 125 | I | 85.7 | Confident | 83.5 | Confident | 69 Ų | 69 | 99 Ų | 99 | 35% | 0.354 | 52% | 0.523 | S | S | . | . | trans | -123.7 | 124 | -178.4 | -56.3 | 177.3 | 0 | 0 | 0 | 108.9 | T123 L179 N180 | T123-I125 HydrophobicContact CG2-CD1 4.19Å; T123-I125 HydrophobicContact CG2-CG1 3.97Å; I125-L179 PolarHBondContact N-O 2.66Å; I125-N180 WeakPolarHBondContact O-CA 3.4Å | ||
| 126 | L | 89.5 | Confident | 85.1 | Confident | 10 Ų | 10 | 91 Ų | 91 | 5% | 0.052 | 50% | 0.501 | C | S | . | . | trans | -100 | 104.2 | 170.1 | -173.8 | 65.3 | 0 | 0 | 0 | 109.2 | E128 A129 K130 Y152 I166 A168 P182 | L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.61Å; L126-A129 HydrophobicContact CB-CB 4.15Å; L126-A129 HydrophobicContact CD2-CB 3.89Å; L126-A129 HydrophobicContact CG-CB 4.11Å; L126-A129 PolarHBondContact O-N 3.06Å; L126-K130 PolarHBondContact O-N 2.96Å; L126-K130 VanDerWaalsContact O-N 3.17Å; L126-Y152 HydrophobicContact CB-CE2 4.3Å; L126-Y152 HydrophobicContact CD2-CD2 3.83Å; L126-Y152 HydrophobicContact CD2-CE2 3.55Å; L126-I166 HydrophobicContact CD2-CG2 3.9Å; L126-A168 HydrophobicContact CD2-CB 4.02Å; L126-P182 HydrophobicContact CD1-CG 3.92Å | ||
| 127 | N | 89.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | -176.5 | -70.5 | -20.7 | 0 | 0 | 0 | 112.4 | A129 K130 E131 | N127-A129 PolarHBondContact O-N 3.47Å; N127-K130 WeakPolarHBondContact O-CA 3.36Å; N127-K130 WeakPolarHBondContact O-CB 3.13Å; N127-K130 PolarHBondContact O-N 3.18Å; N127-E131 WeakPolarHBondContact O-CG 3.1Å; N127-E131 PolarHBondContact O-N 2.97Å |
| 128 | E | 89.6 | Confident | 87.4 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.8 | -62.7 | 175 | -163 | 0 | 0 | 112.8 | L126 K130 E131 S132 I166 K185 | L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.61Å; E128-K130 VanDerWaalsContact C-N 3.3Å; E128-K130 PolarHBondContact O-N 2.93Å; E128-E131 PolarHBondContact O-N 3.18Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.38Å; E128-S132 PolarHBondContact O-OG 2.86Å; E128-I166 HydrophobicContact CB-CD1 4.41Å; E128-K185 IonicContact OE1-NZ 4Å; E128-K185 PolarHBondContact OE1-NZ 2.99Å; E128-K185 VanDerWaalsContact OE2-CD 3.31Å; E128-K185 WeakPolarHBondContact OE2-CD 3.39Å; E128-K185 WeakPolarHBondContact OE2-CE 3.34Å; E128-K185 IonicContact OE2-NZ 3.79Å; E128-K185 PolarHBondContact OE2-NZ 3.21Å |
| 129 | A | 88.5 | Confident | 88.1 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L126 N127 S132 K133 L134 Y152 | L126-A129 HydrophobicContact CB-CB 4.15Å; L126-A129 HydrophobicContact CD2-CB 3.89Å; L126-A129 HydrophobicContact CG-CB 4.11Å; L126-A129 PolarHBondContact O-N 3.06Å; N127-A129 PolarHBondContact O-N 3.47Å; A129-S132 WeakPolarHBondContact CA-OG 3.39Å; A129-S132 PolarHBondContact O-OG 2.81Å; A129-K133 PolarHBondContact O-N 3.09Å; A129-K133 VanDerWaalsContact O-N 3.15Å; A129-L134 HydrophobicContact CB-CB 4.29Å; A129-L134 PolarHBondContact O-N 2.91Å; A129-Y152 HydrophobicContact CB-CD1 3.48Å; A129-Y152 VanDerWaalsContact CB-CD1 3.48Å; A129-Y152 HydrophobicContact CB-CD2 4.46Å; A129-Y152 HydrophobicContact CB-CE1 3.8Å; A129-Y152 HydrophobicContact CB-CG 3.85Å |
| 130 | K | 88.5 | Confident | 88.8 | Confident | 157 Ų | 157 | 75.2 Ų | 75.2 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 175.6 | -171.8 | -177.8 | 179.3 | -176.4 | 0 | 112 | L126 N127 E128 K133 | L126-K130 PolarHBondContact O-N 2.96Å; L126-K130 VanDerWaalsContact O-N 3.17Å; N127-K130 WeakPolarHBondContact O-CA 3.36Å; N127-K130 WeakPolarHBondContact O-CB 3.13Å; N127-K130 PolarHBondContact O-N 3.18Å; E128-K130 VanDerWaalsContact C-N 3.3Å; E128-K130 PolarHBondContact O-N 2.93Å; K130-K133 PolarHBondContact O-N 3.4Å |
| 131 | E | 90 | Very high | 89.4 | Confident | 157 Ų | 157 | 75.6 Ų | 75.6 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 178.4 | -73.4 | 170.2 | -168.2 | 0 | 0 | 111.7 | N127 E128 K133 | N127-E131 WeakPolarHBondContact O-CG 3.1Å; N127-E131 PolarHBondContact O-N 2.97Å; E128-E131 PolarHBondContact O-N 3.18Å; E131-K133 PolarHBondContact O-N 3.21Å |
| 132 | S | 87.8 | Confident | 90.1 | Very high | 55 Ų | 55 | 68.3 Ų | 68.3 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 2.6 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | E128 A129 L134 | E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.38Å; E128-S132 PolarHBondContact O-OG 2.86Å; A129-S132 WeakPolarHBondContact CA-OG 3.39Å; A129-S132 PolarHBondContact O-OG 2.81Å; S132-L134 PolarHBondContact O-N 2.89Å; S132-L134 VanDerWaalsContact OG-CD1 3.28Å; S132-L134 WeakPolarHBondContact OG-CD1 3.43Å; S132-L134 VanDerWaalsContact OG-CG 3.29Å; S132-L134 WeakPolarHBondContact OG-CG 3.36Å |
| 133 | K | 90.1 | Very high | 90.8 | Very high | 183 Ų | 183 | 67.4 Ų | 67.4 | 80% | 0.796 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34.7 | -177.2 | -58.7 | 179.6 | -179.1 | 175.8 | 0 | 113.7 | A129 K130 E131 | A129-K133 PolarHBondContact O-N 3.09Å; A129-K133 VanDerWaalsContact O-N 3.15Å; K130-K133 PolarHBondContact O-N 3.4Å; E131-K133 PolarHBondContact O-N 3.21Å |
| 134 | L | 92.1 | Very high | 91.1 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -82 | 142.4 | 175.9 | -61.9 | 173.2 | 0 | 0 | 0 | 111.1 | A129 S132 H163 N164 I166 | A129-L134 HydrophobicContact CB-CB 4.29Å; A129-L134 PolarHBondContact O-N 2.91Å; S132-L134 PolarHBondContact O-N 2.89Å; S132-L134 VanDerWaalsContact OG-CD1 3.28Å; S132-L134 WeakPolarHBondContact OG-CD1 3.43Å; S132-L134 VanDerWaalsContact OG-CG 3.29Å; S132-L134 WeakPolarHBondContact OG-CG 3.36Å; L134-H163 HydrophobicContact CD2-CB 4.2Å; L134-N164 WeakPolarHBondContact CD1-O 3.38Å; L134-I166 HydrophobicContact CD1-CD1 3.93Å; L134-I166 HydrophobicContact CD1-CG1 4.08Å |
| 135 | S | 93.8 | Very high | 91.3 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 153.9 | 175.2 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | T137 Y152 G153 | S135-T137 PolarHBondContact O-N 3.16Å; S135-Y152 VanDerWaalsContact O-CA 3.29Å; S135-Y152 WeakPolarHBondContact O-CA 3.48Å; S135-G153 PolarHBondContact N-O 3.19Å; S135-G153 PolarHBondContact O-N 3.05Å |
| 136 | V | 94.6 | Very high | 91.4 | Very high | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.6 | 169 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | L139 I150 S151 Y152 | V136-L139 HydrophobicContact CG1-CD2 4.16Å; V136-L139 HydrophobicContact CG1-CG 4.11Å; V136-I150 HydrophobicContact CB-CG2 4.44Å; V136-I150 HydrophobicContact CG1-CG2 3.73Å; V136-I150 HydrophobicContact CG2-CG2 3.93Å; V136-S151 WeakPolarHBondContact CA-O 3.49Å; V136-Y152 HydrophobicContact CG2-CD1 3.9Å; V136-Y152 HydrophobicContact CG2-CE1 3.47Å; V136-Y152 VanDerWaalsContact CG2-CE1 3.47Å |
| 137 | T | 94.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -24.2 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S135 S151 L155 L192 M193 | S135-T137 PolarHBondContact O-N 3.16Å; T137-S151 PolarHBondContact N-O 3.3Å; T137-S151 WeakPolarHBondContact OG1-CB 3.45Å; T137-S151 PolarHBondContact OG1-O 2.9Å; T137-S151 PolarHBondContact OG1-OG 2.93Å; T137-L155 HydrophobicContact CG2-CD2 3.93Å; T137-L192 WeakPolarHBondContact CB-O 3.34Å; T137-L192 WeakPolarHBondContact CG2-O 3.41Å; T137-L192 PolarHBondContact OG1-O 3Å; T137-M193 WeakPolarHBondContact CB-O 3.49Å; T137-M193 HydrophobicContact CG2-CE 4.01Å; T137-M193 HydrophobicContact CG2-SD 4.28Å |
| 138 | G | 94.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 154.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S151 | G138-S151 WeakPolarHBondContact CA-OG 3.45Å; G138-S151 PolarHBondContact N-OG 3.2Å; G138-S151 PolarHBondContact O-N 2.67Å; G138-S151 PolarHBondContact O-OG 3.25Å |
| 139 | L | 94.6 | Very high | 91.8 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.7 | -180 | -66.9 | 169.7 | 0 | 0 | 0 | 109.7 | V136 L148 A149 I150 | V136-L139 HydrophobicContact CG1-CD2 4.16Å; V136-L139 HydrophobicContact CG1-CG 4.11Å; L139-L148 HydrophobicContact CD2-CD1 4.39Å; L139-A149 WeakPolarHBondContact CA-O 3.33Å; L139-I150 HydrophobicContact CD2-CB 3.86Å; L139-I150 HydrophobicContact CD2-CD1 3.91Å; L139-I150 HydrophobicContact CD2-CG1 3.46Å; L139-I150 VanDerWaalsContact CD2-CG1 3.46Å; L139-I150 HydrophobicContact CD2-CG2 3.64Å |
| 140 | S | 95 | Very high | 92.1 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 136.5 | 172.1 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | A149 F197 | S140-A149 PolarHBondContact N-O 2.83Å; S140-A149 PolarHBondContact O-N 3.1Å; S140-F197 WeakPolarHBondContact O-CD2 3.5Å; S140-F197 WeakPolarHBondContact O-CE2 3.24Å; S140-F197 PolarHBondContact OG-N 2.79Å |
| 141 | W | 94.4 | Very high | 92.4 | Very high | 127 Ų | 127 | 53 Ų | 53 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 147.4 | 167.6 | -72.7 | 99.2 | 0 | 0 | 0 | 110.8 | L147 L148 V172 F197 | W141-L147 WeakPolarHBondContact CA-O 3.45Å; W141-L147 VanDerWaalsContact CE3-O 3.26Å; W141-L148 HydrophobicContact CD2-CB 4.37Å; W141-L148 HydrophobicContact CD2-CD1 3.99Å; W141-L148 HydrophobicContact CE3-CB 4.08Å; W141-L148 HydrophobicContact CG-CD1 4.3Å; W141-L148 HydrophobicContact CH2-CB 4Å; W141-L148 HydrophobicContact CZ2-CB 4.26Å; W141-L148 HydrophobicContact CZ2-CD1 4.12Å; W141-L148 HydrophobicContact CZ2-CD2 4.33Å; W141-L148 HydrophobicContact CZ2-CG 4.48Å; W141-L148 HydrophobicContact CZ3-CB 3.89Å; W141-V172 HydrophobicContact CH2-CB 3.7Å; W141-V172 HydrophobicContact CH2-CG1 4.02Å; W141-V172 HydrophobicContact CH2-CG2 3.55Å; W141-V172 HydrophobicContact CZ3-CB 3.98Å; W141-V172 HydrophobicContact CZ3-CG2 3.89Å; W141-F197 WeakPolarHBondContact O-CB 3.32Å; W141-F197 WeakPolarHBondContact O-CD2 3.25Å |
| 142 | N | 92.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | trans | -71.9 | 161.5 | 167.8 | 71.8 | -17.3 | 0 | 0 | 0 | 110.9 | N144 G145 T146 L147 F197 P202 | N142-N144 PolarHBondContact O-N 3.33Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N142-G145 PolarHBondContact O-N 2.84Å; N142-G145 PolarHBondContact OD1-N 2.8Å; N142-T146 PolarHBondContact ND2-OG1 2.82Å; N142-T146 PolarHBondContact OD1-N 3.44Å; N142-L147 HydrophobicContact CB-CB 4.23Å; N142-L147 PolarHBondContact N-O 2.99Å; N142-L147 PolarHBondContact OD1-N 3.42Å; N142-L147 PolarHBondContact OD1-O 3.03Å; N142-F197 HydrophobicContact CB-CD1 3.83Å; N142-F197 HydrophobicContact CB-CD2 3.99Å; N142-F197 HydrophobicContact CB-CE1 3.93Å; N142-F197 HydrophobicContact CB-CE2 4.02Å; N142-F197 HydrophobicContact CB-CG 3.88Å; N142-F197 HydrophobicContact CB-CZ 4.01Å; N142-F197 VanDerWaalsContact N-CD2 3.28Å; N142-P202 HydrophobicContact CB-CB 4.44Å | ||
| 143 | S | 91.8 | Very high | 92.9 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.3 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | P199 P202 | S143-P199 WeakPolarHBondContact CB-O 3.16Å; S143-P202 WeakPolarHBondContact OG-CA 3.38Å; S143-P202 WeakPolarHBondContact OG-CB 3.28Å |
| 144 | N | 90.6 | Very high | 93 | Very high | 106 Ų | 106 | 35.7 Ų | 35.7 | 57% | 0.567 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.5 | 177.1 | -64.4 | 0.3 | 0 | 0 | 0 | 113.8 | N142 T146 P202 | N142-N144 PolarHBondContact O-N 3.33Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 HydrophobicContact CB-CG2 4.48Å; N144-T146 PolarHBondContact O-N 2.83Å; N144-P202 HydrophobicContact CB-CB 4.47Å |
| 145 | G | 90.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 71.2 | 15.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N142 | N142-G145 PolarHBondContact O-N 2.84Å; N142-G145 PolarHBondContact OD1-N 2.8Å |
| 146 | T | 88.5 | Confident | 92.6 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -101.1 | -33.2 | -176.7 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | N142 N144 N171 V172 | N142-T146 PolarHBondContact ND2-OG1 2.82Å; N142-T146 PolarHBondContact OD1-N 3.44Å; N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 HydrophobicContact CB-CG2 4.48Å; N144-T146 PolarHBondContact O-N 2.83Å; T146-N171 PolarHBondContact O-OD1 3.03Å; T146-V172 PolarHBondContact O-N 2.89Å |
| 147 | L | 90.3 | Very high | 92 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.4 | 179.8 | -65.4 | -171.7 | 0 | 0 | 0 | 111.2 | W141 N142 L169 W170 N171 K183 F197 W221 | W141-L147 WeakPolarHBondContact CA-O 3.45Å; W141-L147 VanDerWaalsContact CE3-O 3.26Å; N142-L147 HydrophobicContact CB-CB 4.23Å; N142-L147 PolarHBondContact N-O 2.99Å; N142-L147 PolarHBondContact OD1-N 3.42Å; N142-L147 PolarHBondContact OD1-O 3.03Å; L147-L169 HydrophobicContact CD1-CD2 4.38Å; L147-W170 CarbonylContact C-O 3.6Å; L147-W170 WeakPolarHBondContact CA-O 2.95Å; L147-N171 HydrophobicContact CD2-CB 3.66Å; L147-K183 HydrophobicContact CD2-CD 4.48Å; L147-F197 HydrophobicContact CB-CZ 4.29Å; L147-W221 HydrophobicContact CD1-CH2 3.56Å; L147-W221 HydrophobicContact CD1-CZ2 3.25Å; L147-W221 HydrophobicContact CD2-CH2 3.92Å; L147-W221 HydrophobicContact CD2-CZ2 4.46Å; L147-W221 HydrophobicContact CG-CH2 3.74Å; L147-W221 HydrophobicContact CG-CZ2 3.82Å |
| 148 | L | 92.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.6 | 170 | 178.9 | 64.4 | 0 | 0 | 0 | 109.2 | L124 L139 W141 I150 L169 W170 V172 | L124-L148 HydrophobicContact CD1-CD2 3.99Å; L139-L148 HydrophobicContact CD2-CD1 4.39Å; W141-L148 HydrophobicContact CD2-CB 4.37Å; W141-L148 HydrophobicContact CD2-CD1 3.99Å; W141-L148 HydrophobicContact CE3-CB 4.08Å; W141-L148 HydrophobicContact CG-CD1 4.3Å; W141-L148 HydrophobicContact CH2-CB 4Å; W141-L148 HydrophobicContact CZ2-CB 4.26Å; W141-L148 HydrophobicContact CZ2-CD1 4.12Å; W141-L148 HydrophobicContact CZ2-CD2 4.33Å; W141-L148 HydrophobicContact CZ2-CG 4.48Å; W141-L148 HydrophobicContact CZ3-CB 3.89Å; L148-I150 HydrophobicContact CD2-CD1 4.1Å; L148-I150 HydrophobicContact CD2-CG1 4.28Å; L148-I150 HydrophobicContact CG-CD1 4.43Å; L148-I150 HydrophobicContact CG-CG1 4.07Å; L148-L169 WeakPolarHBondContact O-CA 2.74Å; L148-W170 PolarHBondContact N-O 2.86Å; L148-W170 PolarHBondContact O-N 2.83Å; L148-V172 HydrophobicContact CB-CG2 3.95Å |
| 149 | A | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L139 S140 A168 L169 I195 F197 L205 | L139-A149 WeakPolarHBondContact CA-O 3.33Å; S140-A149 PolarHBondContact N-O 2.83Å; S140-A149 PolarHBondContact O-N 3.1Å; A149-A168 WeakPolarHBondContact CA-O 3.34Å; A149-L169 HydrophobicContact CB-CD1 4.42Å; A149-L169 HydrophobicContact CB-CG 4.28Å; A149-I195 HydrophobicContact CB-CD1 3.89Å; A149-I195 HydrophobicContact CB-CG1 4.25Å; A149-F197 HydrophobicContact CB-CD2 4.05Å; A149-F197 HydrophobicContact CB-CE2 3.29Å; A149-F197 HydrophobicContact CB-CZ 3.84Å; A149-L205 HydrophobicContact CB-CD1 3.89Å; A149-L205 HydrophobicContact CB-CD2 4.1Å |
| 150 | I | 94.5 | Very high | 90.3 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.8 | -179.5 | -47.2 | -169.9 | 0 | 0 | 0 | 108.3 | L124 V136 L139 L148 Y152 A167 A168 | L124-I150 HydrophobicContact CD1-CD1 4.49Å; V136-I150 HydrophobicContact CB-CG2 4.44Å; V136-I150 HydrophobicContact CG1-CG2 3.73Å; V136-I150 HydrophobicContact CG2-CG2 3.93Å; L139-I150 HydrophobicContact CD2-CB 3.86Å; L139-I150 HydrophobicContact CD2-CD1 3.91Å; L139-I150 HydrophobicContact CD2-CG1 3.46Å; L139-I150 VanDerWaalsContact CD2-CG1 3.46Å; L139-I150 HydrophobicContact CD2-CG2 3.64Å; L148-I150 HydrophobicContact CD2-CD1 4.1Å; L148-I150 HydrophobicContact CD2-CG1 4.28Å; L148-I150 HydrophobicContact CG-CD1 4.43Å; L148-I150 HydrophobicContact CG-CG1 4.07Å; I150-Y152 HydrophobicContact CB-CE2 3.86Å; I150-Y152 HydrophobicContact CG2-CD2 4.17Å; I150-Y152 HydrophobicContact CG2-CE1 4.16Å; I150-Y152 HydrophobicContact CG2-CE2 3.52Å; I150-A167 CarbonylContact O-C 3.53Å; I150-A167 WeakPolarHBondContact O-CA 3.42Å; I150-A168 PolarHBondContact N-O 2.62Å; I150-A168 PolarHBondContact O-N 2.83Å |
| 151 | S | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.5 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 111 | V136 T137 G138 I166 L192 | V136-S151 WeakPolarHBondContact CA-O 3.49Å; T137-S151 PolarHBondContact N-O 3.3Å; T137-S151 WeakPolarHBondContact OG1-CB 3.45Å; T137-S151 PolarHBondContact OG1-O 2.9Å; T137-S151 PolarHBondContact OG1-OG 2.93Å; G138-S151 WeakPolarHBondContact CA-OG 3.45Å; G138-S151 PolarHBondContact N-OG 3.2Å; G138-S151 PolarHBondContact O-N 2.67Å; G138-S151 PolarHBondContact O-OG 3.25Å; S151-I166 CarbonylContact C-O 3.57Å; S151-L192 VanDerWaalsContact CB-CD2 3.41Å |
| 152 | Y | 95.1 | Very high | 89.6 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.4 | 177.6 | -61.5 | -90.4 | 0 | 0 | 0 | 109.9 | L126 A129 S135 V136 I150 G165 I166 A168 | L126-Y152 HydrophobicContact CB-CE2 4.3Å; L126-Y152 HydrophobicContact CD2-CD2 3.83Å; L126-Y152 HydrophobicContact CD2-CE2 3.55Å; A129-Y152 HydrophobicContact CB-CD1 3.48Å; A129-Y152 VanDerWaalsContact CB-CD1 3.48Å; A129-Y152 HydrophobicContact CB-CD2 4.46Å; A129-Y152 HydrophobicContact CB-CE1 3.8Å; A129-Y152 HydrophobicContact CB-CG 3.85Å; S135-Y152 VanDerWaalsContact O-CA 3.29Å; S135-Y152 WeakPolarHBondContact O-CA 3.48Å; V136-Y152 HydrophobicContact CG2-CD1 3.9Å; V136-Y152 HydrophobicContact CG2-CE1 3.47Å; V136-Y152 VanDerWaalsContact CG2-CE1 3.47Å; I150-Y152 HydrophobicContact CB-CE2 3.86Å; I150-Y152 HydrophobicContact CG2-CD2 4.17Å; I150-Y152 HydrophobicContact CG2-CE1 4.16Å; I150-Y152 HydrophobicContact CG2-CE2 3.52Å; Y152-G165 WeakPolarHBondContact O-CA 3.32Å; Y152-I166 HydrophobicContact CD2-CB 4.37Å; Y152-I166 PolarHBondContact N-O 2.87Å; Y152-I166 PolarHBondContact O-N 2.65Å; Y152-I166 VanDerWaalsContact O-N 3.08Å; Y152-A168 HydrophobicContact CE2-CB 3.93Å |
| 153 | G | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 164.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S135 | S135-G153 PolarHBondContact N-O 3.19Å; S135-G153 PolarHBondContact O-N 3.05Å |
| 154 | S | 92.7 | Very high | 89.4 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | trans | -79 | 139.8 | 166.9 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | C156 H157 M193 | S154-C156 PolarHBondContact OG-N 3.43Å; S154-C156 PolarHBondContact OG-O 2.91Å; S154-H157 PolarHBondContact O-NE2 2.85Å; S154-H157 VanDerWaalsContact O-NE2 3.08Å; S154-M193 VanDerWaalsContact O-CE 3.27Å; S154-M193 WeakPolarHBondContact O-CE 3.43Å | ||
| 155 | L | 88.6 | Confident | 89.4 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -90.7 | -12.6 | 172.5 | -65.4 | 173.7 | 0 | 0 | 0 | 112 | T137 | T137-L155 HydrophobicContact CG2-CD2 3.93Š|
| 156 | C | 87.1 | Confident | 89.6 | Confident | 107 Ų | 107 | 56 Ų | 56 | 72% | 0.723 | 30% | 0.298 | S | S | * | . | trans | -117 | 107.6 | -176.9 | -62.3 | 0 | 0 | 0 | 0 | 109 | S154 | S154-C156 PolarHBondContact OG-N 3.43Å; S154-C156 PolarHBondContact OG-O 2.91Å | ||
| 157 | H | 83.5 | Confident | 89.9 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | trans | -116.3 | 124.7 | 173.8 | -69.4 | -54.9 | 0 | 0 | 0 | 108.7 | S154 H163 C191 F210 | S154-H157 PolarHBondContact O-NE2 2.85Å; S154-H157 VanDerWaalsContact O-NE2 3.08Å; H157-H163 AromaticContact CE1-ND1 3.6Å; H157-H163 AromaticContact ND1-ND1 3.86Å; H157-C191 PolarHBondContact CE1-SG 3.24Å; H157-C191 PolarHBondContact NE2-SG 2.9Å; H157-F210 HydrophobicContact CB-CE2 4.37Å; H157-F210 HydrophobicContact CB-CZ 4.03Å; H157-F210 AromaticContact CD2-CD2 3.53Å; H157-F210 AromaticContact CD2-CE2 3.44Å; H157-F210 VanDerWaalsContact CD2-CE2 3.44Å; H157-F210 WeakPolarHBondContact CD2-CE2 3.4Å; H157-F210 AromaticContact CD2-CZ 3.83Å | ||
| 158 | T | 80.4 | Confident | 90 | Very high | 141 Ų | 141 | 54.2 Ų | 54.2 | 87% | 0.865 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -84.7 | -30.9 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 159 | D | 83.2 | Confident | 90 | Very high | 124 Ų | 124 | 53.3 Ų | 53.3 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -138.7 | -157.3 | 179.4 | -67.7 | -64.2 | 0 | 0 | 0 | 110.1 | C161 | D159-C161 PolarHBondContact O-N 3.27Š|
| 160 | W | 83.8 | Confident | 89.8 | Confident | 219 Ų | 219 | 53.5 Ų | 53.5 | 83% | 0.83 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -46.8 | 137.9 | 167.4 | -57.7 | 97.9 | 0 | 0 | 0 | 111.5 | T162 | W160-T162 PolarHBondContact O-N 2.72Å; W160-T162 VanDerWaalsContact O-N 3.1Å |
| 161 | C | 86.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | trans | -65.8 | 115.4 | 177.7 | 159.4 | 0 | 0 | 0 | 0 | 109.6 | D159 H163 C191 F210 | D159-C161 PolarHBondContact O-N 3.27Å; C161-H163 PolarHBondContact SG-O 2.97Å; C161-C191 HydrophobicContact CB-CB 4.28Å; C161-C191 WeakPolarHBondContact CB-SG 3.47Å; C161-C191 WeakPolarHBondContact SG-CB 3.49Å; C161-C191 PolarHBondContact SG-N 2.87Å; C161-C191 CovalentContact SG-SG 2.08Å; C161-C191 PolarHBondContact SG-SG 2.81Å; C161-F210 HydrophobicContact CB-CB 4.24Å; C161-F210 HydrophobicContact CB-CD1 3.65Å; C161-F210 HydrophobicContact CB-CE1 4.3Å; C161-F210 HydrophobicContact CB-CG 4.09Å | ||
| 162 | T | 87.1 | Confident | 88.9 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 75% | 0.748 | 31% | 0.305 | S | S | * | . | trans | -98.3 | -0.1 | 172.3 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | W160 | W160-T162 PolarHBondContact O-N 2.72Å; W160-T162 VanDerWaalsContact O-N 3.1Å | ||
| 163 | H | 89.5 | Confident | 88.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -93 | 142.7 | -177.8 | -47.3 | 80 | 0 | 0 | 0 | 110.4 | L134 H157 C161 T190 C191 | L134-H163 HydrophobicContact CD2-CB 4.2Å; H157-H163 AromaticContact CE1-ND1 3.6Å; H157-H163 AromaticContact ND1-ND1 3.86Å; C161-H163 PolarHBondContact SG-O 2.97Å; H163-T190 CarbonylContact O-C 3.56Å; H163-C191 PolarHBondContact O-N 3.15Å; H163-C191 PolarHBondContact O-SG 3.36Å |
| 164 | N | 91.4 | Very high | 87 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 135.3 | 172.3 | -64 | -14.4 | 0 | 0 | 0 | 109.8 | L134 V187 T188 | L134-N164 WeakPolarHBondContact CD1-O 3.38Å; N164-V187 HydrophobicContact CB-CG1 4.02Å; N164-T188 WeakPolarHBondContact CA-O 3.37Å; N164-T188 WeakPolarHBondContact CB-O 3.4Å |
| 165 | G | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 151.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y152 V187 T188 T190 | Y152-G165 WeakPolarHBondContact O-CA 3.32Å; G165-V187 WeakPolarHBondContact O-CA 3.46Å; G165-T188 VanDerWaalsContact CA-OG1 3.26Å; G165-T188 WeakPolarHBondContact CA-OG1 3.29Å; G165-T188 PolarHBondContact N-O 3.21Å; G165-T188 VanDerWaalsContact N-O 3.09Å; G165-T188 PolarHBondContact O-N 2.94Å; G165-T188 PolarHBondContact O-OG1 2.65Å; G165-T190 VanDerWaalsContact CA-O 3.32Å; G165-T190 WeakPolarHBondContact CA-O 3.45Å; G165-T190 PolarHBondContact N-O 3.12Å; G165-T190 VanDerWaalsContact N-O 3.12Å |
| 166 | I | 93.8 | Very high | 84.2 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132 | 174.9 | -52.6 | 175 | 0 | 0 | 0 | 109.1 | L126 E128 L134 S151 Y152 K185 Y186 | L126-I166 HydrophobicContact CD2-CG2 3.9Å; E128-I166 HydrophobicContact CB-CD1 4.41Å; L134-I166 HydrophobicContact CD1-CD1 3.93Å; L134-I166 HydrophobicContact CD1-CG1 4.08Å; S151-I166 CarbonylContact C-O 3.57Å; Y152-I166 HydrophobicContact CD2-CB 4.37Å; Y152-I166 PolarHBondContact N-O 2.87Å; Y152-I166 PolarHBondContact O-N 2.65Å; Y152-I166 VanDerWaalsContact O-N 3.08Å; I166-K185 HydrophobicContact CG2-CD 4.08Å; I166-K185 HydrophobicContact CG2-CG 3.69Å; I166-Y186 CarbonylContact C-O 3.57Å; I166-Y186 VanDerWaalsContact CA-O 3.29Å; I166-Y186 WeakPolarHBondContact CA-O 3.34Å |
| 167 | A | 93.8 | Very high | 82.8 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I150 K185 Y186 L192 I195 | I150-A167 CarbonylContact O-C 3.53Å; I150-A167 WeakPolarHBondContact O-CA 3.42Å; A167-K185 CarbonylContact O-C 3.51Å; A167-K185 VanDerWaalsContact O-CA 3.32Å; A167-K185 WeakPolarHBondContact O-CA 3.33Å; A167-Y186 HydrophobicContact CB-CD2 4.06Å; A167-Y186 PolarHBondContact N-O 2.96Å; A167-Y186 PolarHBondContact O-N 2.89Å; A167-L192 HydrophobicContact CB-CD2 3.66Å; A167-I195 HydrophobicContact CB-CD1 3.74Å |
| 168 | A | 92.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L126 A149 I150 Y152 P182 | L126-A168 HydrophobicContact CD2-CB 4.02Å; A149-A168 WeakPolarHBondContact CA-O 3.34Å; I150-A168 PolarHBondContact N-O 2.62Å; I150-A168 PolarHBondContact O-N 2.83Å; Y152-A168 HydrophobicContact CE2-CB 3.93Å; A168-P182 HydrophobicContact CB-CB 3.9Å; A168-P182 HydrophobicContact CB-CG 4.14Å |
| 169 | L | 92.3 | Very high | 81.1 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.8 | 178.8 | -77.3 | 68.4 | 0 | 0 | 0 | 109.4 | L147 L148 A149 P182 K183 Q184 Y186 F197 L205 | L147-L169 HydrophobicContact CD1-CD2 4.38Å; L148-L169 WeakPolarHBondContact O-CA 2.74Å; A149-L169 HydrophobicContact CB-CD1 4.42Å; A149-L169 HydrophobicContact CB-CG 4.28Å; L169-P182 CarbonylContact O-C 3.57Å; L169-P182 WeakPolarHBondContact O-CB 3.31Å; L169-K183 PolarHBondContact O-N 3.08Å; L169-Q184 HydrophobicContact CB-CB 4.27Å; L169-Q184 PolarHBondContact N-O 2.79Å; L169-Q184 PolarHBondContact O-N 2.81Å; L169-Y186 HydrophobicContact CD1-CD2 3.83Å; L169-Y186 HydrophobicContact CD1-CE2 3.44Å; L169-Y186 VanDerWaalsContact CD1-CE2 3.44Å; L169-Y186 HydrophobicContact CD2-CE2 4.31Å; L169-F197 HydrophobicContact CD2-CZ 4.19Å; L169-F197 HydrophobicContact CG-CZ 4.48Å; L169-L205 HydrophobicContact CD1-CD2 3.78Å; L169-L205 HydrophobicContact CD2-CD2 4.19Å; L169-L205 HydrophobicContact CG-CD2 4.27Å |
| 170 | W | 89.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.4 | -179.4 | -64.2 | 88.4 | 0 | 0 | 0 | 109.9 | L124 L147 L148 V172 L179 T181 P182 | L124-W170 HydrophobicContact CB-CD2 4.25Å; L124-W170 HydrophobicContact CB-CZ2 4.38Å; L124-W170 HydrophobicContact CD1-CB 3.82Å; L124-W170 HydrophobicContact CD1-CD2 4.08Å; L124-W170 HydrophobicContact CD1-CG 3.76Å; L124-W170 HydrophobicContact CD2-CD2 4.03Å; L124-W170 HydrophobicContact CD2-CE3 3.67Å; L124-W170 HydrophobicContact CD2-CG 4.48Å; L124-W170 HydrophobicContact CD2-CZ3 4.08Å; L124-W170 HydrophobicContact CG-CD2 4.34Å; L124-W170 HydrophobicContact CG-CE3 4.46Å; L147-W170 CarbonylContact C-O 3.6Å; L147-W170 WeakPolarHBondContact CA-O 2.95Å; L148-W170 PolarHBondContact N-O 2.86Å; L148-W170 PolarHBondContact O-N 2.83Å; W170-V172 PolarHBondContact O-N 2.82Å; W170-L179 WeakPolarHBondContact CH2-O 3.12Å; W170-L179 WeakPolarHBondContact CZ3-O 3.46Å; W170-T181 VanDerWaalsContact CZ3-C 3.49Å; W170-T181 WeakPolarHBondContact CZ3-O 3.47Å; W170-P182 HydrophobicContact CD2-CB 4.08Å; W170-P182 HydrophobicContact CE3-CB 4.48Å; W170-P182 HydrophobicContact CH2-CB 4.49Å; W170-P182 HydrophobicContact CZ2-CB 4.05Å; W170-P182 HydrophobicContact CZ2-CG 4.45Å |
| 171 | N | 88.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 109.6 | 169.3 | -173.3 | -6.9 | 0 | 0 | 0 | 109 | T146 L147 S173 S177 K183 | T146-N171 PolarHBondContact O-OD1 3.03Å; L147-N171 HydrophobicContact CD2-CB 3.66Å; N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.82Å; N171-S177 PolarHBondContact O-OG 3.34Å; N171-K183 HydrophobicContact CB-CD 4.48Å |
| 172 | V | 82.5 | Confident | 80.7 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -90.3 | -13.2 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | L124 W141 T146 L148 W170 N174 | L124-V172 HydrophobicContact CD1-CG2 4.45Å; W141-V172 HydrophobicContact CH2-CB 3.7Å; W141-V172 HydrophobicContact CH2-CG1 4.02Å; W141-V172 HydrophobicContact CH2-CG2 3.55Å; W141-V172 HydrophobicContact CZ3-CB 3.98Å; W141-V172 HydrophobicContact CZ3-CG2 3.89Å; T146-V172 PolarHBondContact O-N 2.89Å; L148-V172 HydrophobicContact CB-CG2 3.95Å; W170-V172 PolarHBondContact O-N 2.82Å; V172-N174 VanDerWaalsContact C-N 3.34Å |
| 173 | S | 79 | Confident | 80.7 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -75 | -23 | 178.2 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | N171 | N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.82Å |
| 174 | N | 68.9 | Low | 80.7 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | trans | -94.9 | 117.8 | -176.7 | -164.2 | 3.9 | 0 | 0 | 0 | 110.3 | V172 I176 S177 | V172-N174 VanDerWaalsContact C-N 3.34Å; N174-I176 PolarHBondContact O-N 3.4Å; N174-I176 PolarHBondContact OD1-N 3.06Å; N174-S177 WeakPolarHBondContact O-CB 3.12Å; N174-S177 PolarHBondContact O-N 3.17Å; N174-S177 PolarHBondContact O-OG 2.87Å | ||
| 175 | E | 64.4 | Low | 80.7 | Confident | 164 Ų | 164 | 58.7 Ų | 58.7 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19 | 179.2 | -58.5 | -164.9 | 146.5 | 0 | 0 | 112.5 | K121 S177 | K121-E175 IonicContact NZ-OE1 2.62Å; E175-S177 VanDerWaalsContact C-N 3.32Å |
| 176 | I | 59 | Low | 80.7 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 72% | 0.718 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.3 | -177.3 | -42 | 176.5 | 0 | 0 | 0 | 111.6 | N174 V178 | N174-I176 PolarHBondContact O-N 3.4Å; N174-I176 PolarHBondContact OD1-N 3.06Å; I176-V178 PolarHBondContact O-N 3.49Å |
| 177 | S | 58 | Low | 80.6 | Confident | 38 Ų | 38 | 64 Ų | 64 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -65 | 113.1 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | N171 N174 E175 L179 | N171-S177 PolarHBondContact O-OG 3.34Å; N174-S177 WeakPolarHBondContact O-CB 3.12Å; N174-S177 PolarHBondContact O-N 3.17Å; N174-S177 PolarHBondContact O-OG 2.87Å; E175-S177 VanDerWaalsContact C-N 3.32Å; S177-L179 PolarHBondContact O-N 3.23Å | ||
| 178 | V | 60.8 | Low | 80.5 | Confident | 93 Ų | 93 | 64.4 Ų | 64.4 | 56% | 0.564 | 35% | 0.345 | S | S | * | . | trans | -55.2 | 109.1 | 172.1 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | I176 N180 T181 | I176-V178 PolarHBondContact O-N 3.49Å; V178-N180 PolarHBondContact O-N 3.01Å; V178-T181 WeakPolarHBondContact CB-OG1 3.26Å; V178-T181 HydrophobicContact CG1-CG2 4.21Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.43Å | ||
| 179 | L | 67.8 | Low | 80.5 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 39% | 0.387 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -15.5 | -170.2 | -78.3 | 140.9 | 0 | 0 | 0 | 114.7 | N122 T123 L124 I125 W170 S177 | N122-L179 HydrophobicContact CB-CD2 3.79Å; T123-L179 WeakPolarHBondContact O-CD2 3.49Å; L124-L179 HydrophobicContact CD2-CD2 4.46Å; I125-L179 PolarHBondContact N-O 2.66Å; W170-L179 WeakPolarHBondContact CH2-O 3.12Å; W170-L179 WeakPolarHBondContact CZ3-O 3.46Å; S177-L179 PolarHBondContact O-N 3.23Å |
| 180 | N | 74.5 | Confident | 80.4 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -0.7 | -174.4 | -62.4 | -20.1 | 0 | 0 | 0 | 114.3 | I125 V178 | I125-N180 WeakPolarHBondContact O-CA 3.4Å; V178-N180 PolarHBondContact O-N 3.01Å |
| 181 | T | 83 | Confident | 80.6 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -126.1 | 111.8 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | W170 V178 | W170-T181 VanDerWaalsContact CZ3-C 3.49Å; W170-T181 WeakPolarHBondContact CZ3-O 3.47Å; V178-T181 WeakPolarHBondContact CB-OG1 3.26Å; V178-T181 HydrophobicContact CG1-CG2 4.21Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.43Å |
| 182 | P | 87.9 | Confident | 80.9 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | trans | -64.1 | 152.6 | 176.2 | 29 | -35.4 | 0 | 0 | 0 | 110.5 | L126 A168 L169 W170 Q184 K185 | L126-P182 HydrophobicContact CD1-CG 3.92Å; A168-P182 HydrophobicContact CB-CB 3.9Å; A168-P182 HydrophobicContact CB-CG 4.14Å; L169-P182 CarbonylContact O-C 3.57Å; L169-P182 WeakPolarHBondContact O-CB 3.31Å; W170-P182 HydrophobicContact CD2-CB 4.08Å; W170-P182 HydrophobicContact CE3-CB 4.48Å; W170-P182 HydrophobicContact CH2-CB 4.49Å; W170-P182 HydrophobicContact CZ2-CB 4.05Å; W170-P182 HydrophobicContact CZ2-CG 4.45Å; P182-Q184 VanDerWaalsContact C-N 3.27Å; P182-Q184 PolarHBondContact O-N 2.73Å; P182-K185 HydrophobicContact CG-CB 4.21Å | ||
| 183 | K | 86.6 | Confident | 81.4 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -62.4 | -39.9 | 176 | -178.5 | 176.9 | 178.5 | -177.7 | 0 | 111 | L147 L169 N171 | L147-K183 HydrophobicContact CD2-CD 4.48Å; L169-K183 PolarHBondContact O-N 3.08Å; N171-K183 HydrophobicContact CB-CD 4.48Å |
| 184 | Q | 89.1 | Confident | 82.1 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 34% | 0.341 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 145.7 | 178.3 | -163.5 | 164.5 | 3.1 | 0 | 0 | 109.6 | L169 P182 Y186 | L169-Q184 HydrophobicContact CB-CB 4.27Å; L169-Q184 PolarHBondContact N-O 2.79Å; L169-Q184 PolarHBondContact O-N 2.81Å; P182-Q184 VanDerWaalsContact C-N 3.27Å; P182-Q184 PolarHBondContact O-N 2.73Å; Q184-Y186 HydrophobicContact CG-CE1 3.67Å; Q184-Y186 HydrophobicContact CG-CE2 4.08Å; Q184-Y186 VanDerWaalsContact CG-CZ 3.46Å; Q184-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q184-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q184-Y186 PolarHBondContact NE2-OH 3.34Å; Q184-Y186 PolarHBondContact OE1-OH 2.95Å |
| 185 | K | 90.9 | Very high | 83.3 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.9 | -177.1 | -177 | -171.4 | 64.8 | 173.6 | 0 | 109.2 | E128 I166 A167 P182 | E128-K185 IonicContact OE1-NZ 4Å; E128-K185 PolarHBondContact OE1-NZ 2.99Å; E128-K185 VanDerWaalsContact OE2-CD 3.31Å; E128-K185 WeakPolarHBondContact OE2-CD 3.39Å; E128-K185 WeakPolarHBondContact OE2-CE 3.34Å; E128-K185 IonicContact OE2-NZ 3.79Å; E128-K185 PolarHBondContact OE2-NZ 3.21Å; I166-K185 HydrophobicContact CG2-CD 4.08Å; I166-K185 HydrophobicContact CG2-CG 3.69Å; A167-K185 CarbonylContact O-C 3.51Å; A167-K185 VanDerWaalsContact O-CA 3.32Å; A167-K185 WeakPolarHBondContact O-CA 3.33Å; P182-K185 HydrophobicContact CG-CB 4.21Å |
| 186 | Y | 91.7 | Very high | 84.8 | Confident | 37 Ų | 37 | 62 Ų | 62 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.9 | 177.4 | -49.2 | -66.8 | 0 | 0 | 0 | 109.3 | I166 A167 L169 Q184 E217 | I166-Y186 CarbonylContact C-O 3.57Å; I166-Y186 VanDerWaalsContact CA-O 3.29Å; I166-Y186 WeakPolarHBondContact CA-O 3.34Å; A167-Y186 HydrophobicContact CB-CD2 4.06Å; A167-Y186 PolarHBondContact N-O 2.96Å; A167-Y186 PolarHBondContact O-N 2.89Å; L169-Y186 HydrophobicContact CD1-CD2 3.83Å; L169-Y186 HydrophobicContact CD1-CE2 3.44Å; L169-Y186 VanDerWaalsContact CD1-CE2 3.44Å; L169-Y186 HydrophobicContact CD2-CE2 4.31Å; Q184-Y186 HydrophobicContact CG-CE1 3.67Å; Q184-Y186 HydrophobicContact CG-CE2 4.08Å; Q184-Y186 VanDerWaalsContact CG-CZ 3.46Å; Q184-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q184-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q184-Y186 PolarHBondContact NE2-OH 3.34Å; Q184-Y186 PolarHBondContact OE1-OH 2.95Å; Y186-E217 WeakPolarHBondContact CD1-OE2 3.37Å; Y186-E217 WeakPolarHBondContact CD2-OE2 3.42Å; Y186-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.34Å; Y186-E217 VanDerWaalsContact CE2-OE2 3.26Å; Y186-E217 WeakPolarHBondContact CE2-OE2 3.48Å; Y186-E217 PolarHBondContact OH-OE1 3.35Å; Y186-E217 PolarHBondContact OH-OE2 3.42Å |
| 187 | V | 92.5 | Very high | 86.5 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.8 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | N164 G165 | N164-V187 HydrophobicContact CB-CG1 4.02Å; G165-V187 WeakPolarHBondContact O-CA 3.46Å |
| 188 | T | 91.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 151.8 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | N164 G165 T190 Y215 | N164-T188 WeakPolarHBondContact CA-O 3.37Å; N164-T188 WeakPolarHBondContact CB-O 3.4Å; G165-T188 VanDerWaalsContact CA-OG1 3.26Å; G165-T188 WeakPolarHBondContact CA-OG1 3.29Å; G165-T188 PolarHBondContact N-O 3.21Å; G165-T188 VanDerWaalsContact N-O 3.09Å; G165-T188 PolarHBondContact O-N 2.94Å; G165-T188 PolarHBondContact O-OG1 2.65Å; T188-T190 WeakPolarHBondContact CB-O 3.2Å; T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 PolarHBondContact OG1-O 3.34Å; T188-Y215 HydrophobicContact CG2-CD2 3.64Å; T188-Y215 HydrophobicContact CG2-CE2 3.55Å; T188-Y215 HydrophobicContact CG2-CG 4.32Å |
| 189 | D | 90.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -60.8 | -22.2 | 175.9 | 61.7 | -17.5 | 0 | 0 | 0 | 113.5 | K213 Y215 | D189-K213 IonicContact OD2-NZ 2.65Å; D189-Y215 PolarHBondContact OD1-OH 3.26Å |
| 190 | T | 91.9 | Very high | 91 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -134.7 | 156.8 | -175.6 | 50.4 | 0 | 0 | 0 | 0 | 110 | H163 G165 T188 L192 T209 T211 | H163-T190 CarbonylContact O-C 3.56Å; G165-T190 VanDerWaalsContact CA-O 3.32Å; G165-T190 WeakPolarHBondContact CA-O 3.45Å; G165-T190 PolarHBondContact N-O 3.12Å; G165-T190 VanDerWaalsContact N-O 3.12Å; T188-T190 WeakPolarHBondContact CB-O 3.2Å; T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 PolarHBondContact OG1-O 3.34Å; T190-L192 PolarHBondContact O-N 3.34Å; T190-T209 WeakPolarHBondContact OG1-CB 3.4Å; T190-T209 WeakPolarHBondContact OG1-CG2 3.39Å; T190-T211 HydrophobicContact CG2-CG2 3.72Å |
| 191 | C | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -56.4 | 125.4 | -177.7 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | H157 C161 H163 M193 T209 F210 | H157-C191 PolarHBondContact CE1-SG 3.24Å; H157-C191 PolarHBondContact NE2-SG 2.9Å; C161-C191 HydrophobicContact CB-CB 4.28Å; C161-C191 WeakPolarHBondContact CB-SG 3.47Å; C161-C191 WeakPolarHBondContact SG-CB 3.49Å; C161-C191 PolarHBondContact SG-N 2.87Å; C161-C191 CovalentContact SG-SG 2.08Å; C161-C191 PolarHBondContact SG-SG 2.81Å; H163-C191 PolarHBondContact O-N 3.15Å; H163-C191 PolarHBondContact O-SG 3.36Å; C191-M193 HydrophobicContact CB-CE 3.33Å; C191-T209 CarbonylContact O-C 3.54Å; C191-T209 VanDerWaalsContact O-CA 3.29Å; C191-T209 WeakPolarHBondContact O-CA 3.34Å; C191-F210 HydrophobicContact CB-CB 4.11Å; C191-F210 PolarHBondContact O-N 2.78Å | ||
| 192 | L | 93.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.4 | 177.9 | -161.5 | 72 | 0 | 0 | 0 | 109.1 | T137 S151 A167 T190 I195 G208 T209 | T137-L192 WeakPolarHBondContact CB-O 3.34Å; T137-L192 WeakPolarHBondContact CG2-O 3.41Å; T137-L192 PolarHBondContact OG1-O 3Å; S151-L192 VanDerWaalsContact CB-CD2 3.41Å; A167-L192 HydrophobicContact CB-CD2 3.66Å; T190-L192 PolarHBondContact O-N 3.34Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; L192-G208 WeakPolarHBondContact CD1-O 3.4Å; L192-T209 HydrophobicContact CD1-CG2 3.93Å |
| 193 | M | 93.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -29.9 | -172 | -69.3 | -61.3 | 115.1 | 0 | 0 | 113.1 | T137 S154 C191 G208 F210 | T137-M193 WeakPolarHBondContact CB-O 3.49Å; T137-M193 HydrophobicContact CG2-CE 4.01Å; T137-M193 HydrophobicContact CG2-SD 4.28Å; S154-M193 VanDerWaalsContact O-CE 3.27Å; S154-M193 WeakPolarHBondContact O-CE 3.43Å; C191-M193 HydrophobicContact CB-CE 3.33Å; M193-G208 PolarHBondContact N-O 2.63Å; M193-F210 HydrophobicContact CE-CB 4.49Å; M193-F210 HydrophobicContact CG-CB 4.11Å; M193-F210 HydrophobicContact CG-CD2 4.49Å; M193-F210 HydrophobicContact SD-CD2 4.48Å |
| 194 | C | 93.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 46% | 0.459 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.8 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 111 | G207 G208 | C194-G207 CarbonylContact O-C 3.53Å; C194-G207 VanDerWaalsContact O-CA 3.25Å; C194-G207 WeakPolarHBondContact O-CA 3.39Å; C194-G208 PolarHBondContact N-O 3.43Å; C194-G208 PolarHBondContact O-N 2.96Å |
| 195 | I | 94.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 136.2 | 178.6 | -164.6 | 160.8 | 0 | 0 | 0 | 110 | A149 A167 L192 L205 A206 | A149-I195 HydrophobicContact CB-CD1 3.89Å; A149-I195 HydrophobicContact CB-CG1 4.25Å; A167-I195 HydrophobicContact CB-CD1 3.74Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; I195-L205 HydrophobicContact CD1-CD1 4.1Å; I195-L205 HydrophobicContact CD1-CD2 3.96Å; I195-L205 HydrophobicContact CD1-CG 4.17Å; I195-L205 HydrophobicContact CG1-CD1 3.6Å; I195-L205 HydrophobicContact CG1-CD2 4.35Å; I195-L205 HydrophobicContact CG1-CG 4.02Å; I195-A206 CarbonylContact C-O 3.56Å; I195-A206 WeakPolarHBondContact CA-O 3.34Å |
| 196 | K | 95.4 | Very high | 92.8 | Very high | 135 Ų | 135 | 48.9 Ų | 48.9 | 59% | 0.587 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 129.9 | -179 | -70.3 | -62.3 | 177.4 | -173.4 | 0 | 111.6 | A206 | K196-A206 PolarHBondContact N-O 2.89Å; K196-A206 PolarHBondContact O-N 3.24Å |
| 197 | F | 95 | Very high | 93 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 154.1 | 167.4 | -82.6 | -77.2 | 0 | 0 | 0 | 111.1 | S140 W141 N142 L147 A149 L169 L204 L205 | S140-F197 WeakPolarHBondContact O-CD2 3.5Å; S140-F197 WeakPolarHBondContact O-CE2 3.24Å; S140-F197 PolarHBondContact OG-N 2.79Å; W141-F197 WeakPolarHBondContact O-CB 3.32Å; W141-F197 WeakPolarHBondContact O-CD2 3.25Å; N142-F197 HydrophobicContact CB-CD1 3.83Å; N142-F197 HydrophobicContact CB-CD2 3.99Å; N142-F197 HydrophobicContact CB-CE1 3.93Å; N142-F197 HydrophobicContact CB-CE2 4.02Å; N142-F197 HydrophobicContact CB-CG 3.88Å; N142-F197 HydrophobicContact CB-CZ 4.01Å; N142-F197 VanDerWaalsContact N-CD2 3.28Å; L147-F197 HydrophobicContact CB-CZ 4.29Å; A149-F197 HydrophobicContact CB-CD2 4.05Å; A149-F197 HydrophobicContact CB-CE2 3.29Å; A149-F197 HydrophobicContact CB-CZ 3.84Å; L169-F197 HydrophobicContact CD2-CZ 4.19Å; L169-F197 HydrophobicContact CG-CZ 4.48Å; F197-L204 WeakPolarHBondContact CA-O 3.29Å; F197-L204 WeakPolarHBondContact CD1-O 3.26Å; F197-L205 HydrophobicContact CB-CD1 4.48Å; F197-L205 HydrophobicContact CD1-CB 4.18Å; F197-L205 HydrophobicContact CD1-CD1 3.78Å; F197-L205 HydrophobicContact CD2-CD1 3.8Å; F197-L205 HydrophobicContact CE1-CB 4.09Å; F197-L205 HydrophobicContact CE1-CD1 3.86Å; F197-L205 HydrophobicContact CE1-CD2 4.39Å; F197-L205 HydrophobicContact CE1-CG 4.36Å; F197-L205 HydrophobicContact CE2-CD1 3.94Å; F197-L205 HydrophobicContact CG-CD1 3.74Å; F197-L205 HydrophobicContact CZ-CD1 3.95Å; F197-L205 HydrophobicContact CZ-CD2 4.33Å |
| 198 | H | 93.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 32% | 0.324 | 25% | 0.252 | S | S | . | . | trans | -69.1 | 137.1 | 171 | -169.3 | -97.2 | 0 | 0 | 0 | 110.9 | I200 V201 L204 | H198-I200 PolarHBondContact ND1-N 2.72Å; H198-I200 PolarHBondContact O-N 2.86Å; H198-V201 HydrophobicContact CB-CB 4.14Å; H198-V201 PolarHBondContact ND1-N 3.25Å; H198-L204 HydrophobicContact CB-CB 3.79Å; H198-L204 HydrophobicContact CB-CD2 3.87Å; H198-L204 HydrophobicContact CB-CG 4.17Å; H198-L204 PolarHBondContact N-O 2.86Å | ||
| 199 | P | 93.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 69% | 0.688 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -65.1 | -24.1 | -175.1 | 24.9 | -35.6 | 0 | 0 | 0 | 113.9 | S143 | S143-P199 WeakPolarHBondContact CB-O 3.16Š|
| 200 | I | 93.4 | Very high | 93.1 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 70% | 0.697 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -110.2 | -32.9 | -177.4 | -59.2 | 170.4 | 0 | 0 | 0 | 111.8 | H198 P202 | H198-I200 PolarHBondContact ND1-N 2.72Å; H198-I200 PolarHBondContact O-N 2.86Å; I200-P202 WeakPolarHBondContact O-CD 3.29Å |
| 201 | V | 92 | Very high | 93 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | trans | -108.1 | 103.5 | -168 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | H198 S203 L204 | H198-V201 HydrophobicContact CB-CB 4.14Å; H198-V201 PolarHBondContact ND1-N 3.25Å; V201-S203 WeakPolarHBondContact CG1-OG 3.42Å; V201-S203 PolarHBondContact O-N 3.31Å; V201-S203 VanDerWaalsContact O-N 3.16Å; V201-L204 HydrophobicContact CB-CB 4.09Å; V201-L204 HydrophobicContact CG1-CB 3.87Å; V201-L204 PolarHBondContact O-N 3.25Å | ||
| 202 | P | 89.7 | Confident | 92.7 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.2 | -169.7 | 25.7 | -34.4 | 0 | 0 | 0 | 113.9 | N142 S143 N144 I200 | N142-P202 HydrophobicContact CB-CB 4.44Å; S143-P202 WeakPolarHBondContact OG-CA 3.38Å; S143-P202 WeakPolarHBondContact OG-CB 3.28Å; N144-P202 HydrophobicContact CB-CB 4.47Å; I200-P202 WeakPolarHBondContact O-CD 3.29Å |
| 203 | S | 89 | Confident | 92.5 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16.1 | 179 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | V201 S219 | V201-S203 WeakPolarHBondContact CG1-OG 3.42Å; V201-S203 PolarHBondContact O-N 3.31Å; V201-S203 VanDerWaalsContact O-N 3.16Å; S203-S219 WeakPolarHBondContact CA-OG 3.44Å; S203-S219 WeakPolarHBondContact CB-O 3.27Å; S203-S219 PolarHBondContact O-N 2.98Å; S203-S219 PolarHBondContact O-OG 3.2Å |
| 204 | L | 92 | Very high | 92.2 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.199 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.7 | -172.4 | -170.8 | 71.5 | 0 | 0 | 0 | 110.8 | F197 H198 V201 L216 I218 | F197-L204 WeakPolarHBondContact CA-O 3.29Å; F197-L204 WeakPolarHBondContact CD1-O 3.26Å; H198-L204 HydrophobicContact CB-CB 3.79Å; H198-L204 HydrophobicContact CB-CD2 3.87Å; H198-L204 HydrophobicContact CB-CG 4.17Å; H198-L204 PolarHBondContact N-O 2.86Å; V201-L204 HydrophobicContact CB-CB 4.09Å; V201-L204 HydrophobicContact CG1-CB 3.87Å; V201-L204 PolarHBondContact O-N 3.25Å; L204-L216 HydrophobicContact CD1-CD1 3.85Å; L204-L216 HydrophobicContact CD1-CD2 4.03Å; L204-L216 HydrophobicContact CD1-CG 3.87Å; L204-L216 HydrophobicContact CD2-CD1 4.47Å; L204-L216 HydrophobicContact CG-CD1 4.23Å; L204-I218 HydrophobicContact CD1-CD1 4.42Å; L204-I218 HydrophobicContact CD1-CG1 3.59Å |
| 205 | L | 93.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.9 | -177.3 | -173.4 | 61.4 | 0 | 0 | 0 | 109.8 | A149 L169 I195 F197 E217 | A149-L205 HydrophobicContact CB-CD1 3.89Å; A149-L205 HydrophobicContact CB-CD2 4.1Å; L169-L205 HydrophobicContact CD1-CD2 3.78Å; L169-L205 HydrophobicContact CD2-CD2 4.19Å; L169-L205 HydrophobicContact CG-CD2 4.27Å; I195-L205 HydrophobicContact CD1-CD1 4.1Å; I195-L205 HydrophobicContact CD1-CD2 3.96Å; I195-L205 HydrophobicContact CD1-CG 4.17Å; I195-L205 HydrophobicContact CG1-CD1 3.6Å; I195-L205 HydrophobicContact CG1-CD2 4.35Å; I195-L205 HydrophobicContact CG1-CG 4.02Å; F197-L205 HydrophobicContact CB-CD1 4.48Å; F197-L205 HydrophobicContact CD1-CB 4.18Å; F197-L205 HydrophobicContact CD1-CD1 3.78Å; F197-L205 HydrophobicContact CD2-CD1 3.8Å; F197-L205 HydrophobicContact CE1-CB 4.09Å; F197-L205 HydrophobicContact CE1-CD1 3.86Å; F197-L205 HydrophobicContact CE1-CD2 4.39Å; F197-L205 HydrophobicContact CE1-CG 4.36Å; F197-L205 HydrophobicContact CE2-CD1 3.94Å; F197-L205 HydrophobicContact CG-CD1 3.74Å; F197-L205 HydrophobicContact CZ-CD1 3.95Å; F197-L205 HydrophobicContact CZ-CD2 4.33Å; L205-E217 PolarHBondContact N-O 3.15Å; L205-E217 PolarHBondContact O-N 3.27Å |
| 206 | A | 94 | Very high | 91.3 | Very high | 41 Ų | 41 | 67.3 Ų | 67.3 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | I195 K196 Y215 | I195-A206 CarbonylContact C-O 3.56Å; I195-A206 WeakPolarHBondContact CA-O 3.34Å; K196-A206 PolarHBondContact N-O 2.89Å; K196-A206 PolarHBondContact O-N 3.24Å; A206-Y215 CarbonylContact C-O 3.52Å; A206-Y215 WeakPolarHBondContact CA-O 3.29Å |
| 207 | G | 94.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C194 W214 Y215 | C194-G207 CarbonylContact O-C 3.53Å; C194-G207 VanDerWaalsContact O-CA 3.25Å; C194-G207 WeakPolarHBondContact O-CA 3.39Å; G207-W214 CarbonylContact O-C 3.52Å; G207-W214 VanDerWaalsContact O-CA 3.24Å; G207-W214 WeakPolarHBondContact O-CA 3.2Å; G207-Y215 PolarHBondContact N-O 3.35Å; G207-Y215 PolarHBondContact O-N 3.29Å |
| 208 | G | 94.2 | Very high | 89.3 | Confident | 15 Ų | 15 | 68 Ų | 68 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L192 M193 C194 | L192-G208 WeakPolarHBondContact CD1-O 3.4Å; M193-G208 PolarHBondContact N-O 2.63Å; C194-G208 PolarHBondContact N-O 3.43Å; C194-G208 PolarHBondContact O-N 2.96Å |
| 209 | T | 93.2 | Very high | 87.8 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 165.4 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | T190 C191 L192 T211 G212 K213 Y215 | T190-T209 WeakPolarHBondContact OG1-CB 3.4Å; T190-T209 WeakPolarHBondContact OG1-CG2 3.39Å; C191-T209 CarbonylContact O-C 3.54Å; C191-T209 VanDerWaalsContact O-CA 3.29Å; C191-T209 WeakPolarHBondContact O-CA 3.34Å; L192-T209 HydrophobicContact CD1-CG2 3.93Å; T209-T211 PolarHBondContact O-N 2.08Å; T209-T211 PolarHBondContact OG1-OG1 3.32Å; T209-G212 PolarHBondContact O-N 3.26Å; T209-K213 PolarHBondContact N-O 2.86Å; T209-K213 WeakPolarHBondContact OG1-CB 3.34Å; T209-K213 PolarHBondContact OG1-N 3.11Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T209-Y215 HydrophobicContact CG2-CD2 3.76Å; T209-Y215 HydrophobicContact CG2-CE2 3.43Å; T209-Y215 VanDerWaalsContact CG2-CE2 3.43Å |
| 210 | F | 90.6 | Very high | 85.5 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.7 | 175.7 | -176.3 | -98.9 | 0 | 0 | 0 | 113.3 | H157 C161 C191 M193 G212 | H157-F210 HydrophobicContact CB-CE2 4.37Å; H157-F210 HydrophobicContact CB-CZ 4.03Å; H157-F210 AromaticContact CD2-CD2 3.53Å; H157-F210 AromaticContact CD2-CE2 3.44Å; H157-F210 VanDerWaalsContact CD2-CE2 3.44Å; H157-F210 WeakPolarHBondContact CD2-CE2 3.4Å; H157-F210 AromaticContact CD2-CZ 3.83Å; C161-F210 HydrophobicContact CB-CB 4.24Å; C161-F210 HydrophobicContact CB-CD1 3.65Å; C161-F210 HydrophobicContact CB-CE1 4.3Å; C161-F210 HydrophobicContact CB-CG 4.09Å; C191-F210 HydrophobicContact CB-CB 4.11Å; C191-F210 PolarHBondContact O-N 2.78Å; M193-F210 HydrophobicContact CE-CB 4.49Å; M193-F210 HydrophobicContact CG-CB 4.11Å; M193-F210 HydrophobicContact CG-CD2 4.49Å; M193-F210 HydrophobicContact SD-CD2 4.48Å; F210-G212 PolarHBondContact O-N 3.07Å |
| 211 | T | 89.4 | Confident | 83.4 | Confident | 64 Ų | 64 | 64 Ų | 64 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 3.5 | 179.2 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | T190 T209 K213 | T190-T211 HydrophobicContact CG2-CG2 3.72Å; T209-T211 PolarHBondContact O-N 2.08Å; T209-T211 PolarHBondContact OG1-OG1 3.32Å; T211-K213 VanDerWaalsContact C-N 3.27Å; T211-K213 PolarHBondContact O-N 3.08Å |
| 212 | G | 87.9 | Confident | 80.7 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 79 | 4.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T209 F210 | T209-G212 PolarHBondContact O-N 3.26Å; F210-G212 PolarHBondContact O-N 3.07Å |
| 213 | K | 89.5 | Confident | 80.3 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | trans | -76.8 | 144.1 | 169 | -65.5 | 180 | -176.8 | 172 | 0 | 109 | D189 T209 T211 | D189-K213 IonicContact OD2-NZ 2.65Å; T209-K213 PolarHBondContact N-O 2.86Å; T209-K213 WeakPolarHBondContact OG1-CB 3.34Å; T209-K213 PolarHBondContact OG1-N 3.11Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T211-K213 VanDerWaalsContact C-N 3.27Å; T211-K213 PolarHBondContact O-N 3.08Å | ||
| 214 | W | 86.7 | Confident | 79.8 | Confident | 191 Ų | 191 | 78.1 Ų | 78.1 | 72% | 0.723 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.4 | 172.8 | 53.4 | -87.5 | 0 | 0 | 0 | 109.8 | G207 L216 | G207-W214 CarbonylContact O-C 3.52Å; G207-W214 VanDerWaalsContact O-CA 3.24Å; G207-W214 WeakPolarHBondContact O-CA 3.2Å; W214-L216 HydrophobicContact CE3-CB 4.25Å; W214-L216 HydrophobicContact CZ3-CB 3.93Å |
| 215 | Y | 84.8 | Confident | 79.1 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 35% | 0.349 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.2 | 174.8 | -66.2 | -77.3 | 0 | 0 | 0 | 108 | T188 D189 A206 G207 T209 | T188-Y215 HydrophobicContact CG2-CD2 3.64Å; T188-Y215 HydrophobicContact CG2-CE2 3.55Å; T188-Y215 HydrophobicContact CG2-CG 4.32Å; D189-Y215 PolarHBondContact OD1-OH 3.26Å; A206-Y215 CarbonylContact C-O 3.52Å; A206-Y215 WeakPolarHBondContact CA-O 3.29Å; G207-Y215 PolarHBondContact N-O 3.35Å; G207-Y215 PolarHBondContact O-N 3.29Å; T209-Y215 HydrophobicContact CG2-CD2 3.76Å; T209-Y215 HydrophobicContact CG2-CE2 3.43Å; T209-Y215 VanDerWaalsContact CG2-CE2 3.43Å |
| 216 | L | 84.8 | Confident | 78.2 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.1 | 172.1 | -174.2 | 94.9 | 0 | 0 | 0 | 107.6 | L204 W214 | L204-L216 HydrophobicContact CD1-CD1 3.85Å; L204-L216 HydrophobicContact CD1-CD2 4.03Å; L204-L216 HydrophobicContact CD1-CG 3.87Å; L204-L216 HydrophobicContact CD2-CD1 4.47Å; L204-L216 HydrophobicContact CG-CD1 4.23Å; W214-L216 HydrophobicContact CE3-CB 4.25Å; W214-L216 HydrophobicContact CZ3-CB 3.93Å |
| 217 | E | 78.5 | Confident | 77.3 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.7 | 176.6 | -171.8 | 159.9 | -177.4 | 0 | 0 | 112.3 | Y186 L205 | Y186-E217 WeakPolarHBondContact CD1-OE2 3.37Å; Y186-E217 WeakPolarHBondContact CD2-OE2 3.42Å; Y186-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.34Å; Y186-E217 VanDerWaalsContact CE2-OE2 3.26Å; Y186-E217 WeakPolarHBondContact CE2-OE2 3.48Å; Y186-E217 PolarHBondContact OH-OE1 3.35Å; Y186-E217 PolarHBondContact OH-OE2 3.42Å; L205-E217 PolarHBondContact N-O 3.15Å; L205-E217 PolarHBondContact O-N 3.27Å |
| 218 | I | 70.5 | Confident | 76.1 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 54% | 0.538 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 102.1 | 173.5 | -58.3 | 170.8 | 0 | 0 | 0 | 106.3 | L204 C220 | L204-I218 HydrophobicContact CD1-CD1 4.42Å; L204-I218 HydrophobicContact CD1-CG1 3.59Å; I218-C220 PolarHBondContact O-N 3.08Å; I218-C220 VanDerWaalsContact O-N 3.09Å |
| 219 | S | 61.1 | Low | 74.8 | Confident | 9 Ų | 9 | 97.9 Ų | 97.9 | 6% | 0.063 | 49% | 0.485 | C | S | . | . | trans | -72.3 | 101 | 171.3 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | S203 W221 | S203-S219 WeakPolarHBondContact CA-OG 3.44Å; S203-S219 WeakPolarHBondContact CB-O 3.27Å; S203-S219 PolarHBondContact O-N 2.98Å; S203-S219 PolarHBondContact O-OG 3.2Å; S219-W221 PolarHBondContact O-N 3.1Å; S219-W221 VanDerWaalsContact O-N 3.12Å | ||
| 220 | C | 46.2 | Very low | 73.4 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 68% | 0.682 | 52% | 0.518 | S | S | * | . | trans | -67.9 | 107.2 | 168.9 | -67.6 | 0 | 0 | 0 | 0 | 107.9 | I218 H222 | I218-C220 PolarHBondContact O-N 3.08Å; I218-C220 VanDerWaalsContact O-N 3.09Å; C220-H222 PolarHBondContact O-N 3.48Å | ||
| 221 | W | 48.9 | Very low | 72 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 45% | 0.447 | 53% | 0.527 | S | S | . | . | trans | -65.9 | 115.4 | 165.9 | -64.1 | 80.6 | 0 | 0 | 0 | 107.1 | L147 S219 | L147-W221 HydrophobicContact CD1-CH2 3.56Å; L147-W221 HydrophobicContact CD1-CZ2 3.25Å; L147-W221 HydrophobicContact CD2-CH2 3.92Å; L147-W221 HydrophobicContact CD2-CZ2 4.46Å; L147-W221 HydrophobicContact CG-CH2 3.74Å; L147-W221 HydrophobicContact CG-CZ2 3.82Å; S219-W221 PolarHBondContact O-N 3.1Å; S219-W221 VanDerWaalsContact O-N 3.12Å | ||
| 222 | H | 35.3 | Very low | 70.4 | Confident | 251 Ų | 251 | 109.5 Ų | 109.5 | 100% | 1.162 | 54% | 0.54 | S | S | * | . | trans | -110.5 | 0 | 159.4 | -77.9 | 11.1 | 0 | 0 | 0 | 107.7 | C220 | C220-H222 PolarHBondContact O-N 3.48Š|
Retrieved 222 of 222 residues in 35.8 ms
(Link to these results)