| 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 | 38.6 | Very low | 52.8 | Low | 230 Ų | 230 | 158.2 Ų | 158.2 | 100% | 1.133 | 85% | 0.845 | S | S | * | * | 0 | 101.7 | 0 | -75.3 | 150.5 | 133.8 | 0 | 0 | 107.3 | |||||
| 2 | N | 44.1 | Very low | 53.8 | Low | 151 Ų | 151 | 156.9 Ų | 156.9 | 81% | 0.807 | 85% | 0.847 | S | S | * | * | trans | -96.7 | 102.7 | -179.5 | -78.5 | 33.1 | 0 | 0 | 0 | 109.1 | K4 | N2-K4 PolarHBondContact O-N 3.28Š| ||
| 3 | N | 50.2 | Low | 53 | Low | 165 Ų | 165 | 160.8 Ų | 160.8 | 88% | 0.882 | 84% | 0.844 | S | S | * | * | trans | -76.7 | 98.7 | 171.2 | -74.9 | -15.4 | 0 | 0 | 0 | 109.1 | ||||
| 4 | K | 55.9 | Low | 53.6 | Low | 191 Ų | 191 | 158.2 Ų | 158.2 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -86.1 | 105.8 | 164 | -66.2 | -164.9 | -179.4 | -171.8 | 0 | 107.7 | N2 | N2-K4 PolarHBondContact O-N 3.28Š| ||
| 5 | G | 54 | Low | 53.9 | Low | 63 Ų | 63 | 159.9 Ų | 159.9 | 65% | 0.649 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 6 | S | 58.2 | Low | 53.9 | Low | 124 Ų | 124 | 161.1 Ų | 161.1 | 87% | 0.867 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.9 | 171.7 | -73.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 7 | Y | 47.9 | Very low | 54.4 | Low | 215 Ų | 215 | 158.1 Ų | 158.1 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.9 | 168.5 | -64.3 | -88.1 | 0 | 0 | 0 | 110.1 | ||
| 8 | P | 59.7 | Low | 54.6 | Low | 121 Ų | 121 | 157.1 Ų | 157.1 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 132.2 | 174.5 | 27.6 | -32.2 | 0 | 0 | 0 | 111 | ||
| 9 | Q | 57.8 | Low | 54.3 | Low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 133.8 | 170.7 | -80.8 | -82.6 | -35.9 | 0 | 0 | 110 | ||
| 10 | Q | 54.4 | Low | 54.4 | Low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 136.3 | 176.8 | -71.4 | -178.6 | -19.2 | 0 | 0 | 110.8 | ||
| 11 | S | 60.5 | Low | 54.4 | Low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 131.6 | 172.3 | -51 | 0 | 0 | 0 | 0 | 110.7 | Y13 | S11-Y13 PolarHBondContact O-N 3.01Š|
| 12 | V | 64.6 | Low | 55.1 | Low | 143 Ų | 143 | 147.5 Ų | 147.5 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.2 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 13 | Y | 43.6 | Very low | 55.9 | Low | 208 Ų | 208 | 145.4 Ų | 145.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 141.1 | 175.5 | -69.8 | -85.2 | 0 | 0 | 0 | 111.1 | S11 Q15 | S11-Y13 PolarHBondContact O-N 3.01Å; Y13-Q15 PolarHBondContact O-N 3.42Å |
| 14 | P | 61.3 | Low | 56 | Low | 124 Ų | 124 | 143.5 Ų | 143.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 129.9 | 172.5 | 26.6 | -31.5 | 0 | 0 | 0 | 110.2 | Q16 | P14-Q16 PolarHBondContact O-N 3.29Š|
| 15 | Q | 57.3 | Low | 56 | Low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 125.2 | 174 | -79.8 | -75.6 | -34.4 | 0 | 0 | 110.1 | Y13 S17 | Y13-Q15 PolarHBondContact O-N 3.42Å; Q15-S17 PolarHBondContact O-N 3.19Å |
| 16 | Q | 53.9 | Low | 56 | Low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 118.6 | 175.3 | -173 | 172 | -14.5 | 0 | 0 | 109.3 | P14 T18 | P14-Q16 PolarHBondContact O-N 3.29Å; Q16-T18 PolarHBondContact O-N 3.44Å |
| 17 | S | 61.9 | Low | 55.9 | Low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.2 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | Q15 A19 | Q15-S17 PolarHBondContact O-N 3.19Å; S17-A19 VanDerWaalsContact C-N 3.29Å; S17-A19 PolarHBondContact O-N 3.16Å |
| 18 | T | 58.1 | Low | 56.2 | Low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -89.6 | 31.7 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | Q16 P20 | Q16-T18 PolarHBondContact O-N 3.44Å; T18-P20 WeakPolarHBondContact O-CD 3.42Å | ||
| 19 | A | 50.5 | Low | 56.1 | Low | 74 Ų | 74 | 145.7 Ų | 145.7 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | trans | -81.7 | 122.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S17 V21 | S17-A19 VanDerWaalsContact C-N 3.29Å; S17-A19 PolarHBondContact O-N 3.16Å; A19-V21 PolarHBondContact O-N 2.88Å; A19-V21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | P | 54.8 | Low | 56.4 | Low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 80% | 0.8 | S | S | * | * | trans | -69 | 111.8 | 173.1 | 26.2 | -30.7 | 0 | 0 | 0 | 109.8 | T18 Y22 | T18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-Y22 HydrophobicContact CB-CD2 4.16Å; P20-Y22 HydrophobicContact CB-CE2 3.69Å; P20-Y22 HydrophobicContact CG-CD2 4.45Å; P20-Y22 HydrophobicContact CG-CE2 3.83Å; P20-Y22 PolarHBondContact O-N 3.23Å | ||
| 21 | V | 55.9 | Low | 56.9 | Low | 139 Ų | 139 | 143.1 Ų | 143.1 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -79.8 | 96.6 | 170.1 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | A19 | A19-V21 PolarHBondContact O-N 2.88Å; A19-V21 VanDerWaalsContact O-N 3.16Å | ||
| 22 | Y | 53.5 | Low | 56.7 | Low | 192 Ų | 192 | 141.6 Ų | 141.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79 | 129.5 | 168.5 | -70.3 | -85.2 | 0 | 0 | 0 | 109.4 | P20 | P20-Y22 HydrophobicContact CB-CD2 4.16Å; P20-Y22 HydrophobicContact CB-CE2 3.69Å; P20-Y22 HydrophobicContact CG-CD2 4.45Å; P20-Y22 HydrophobicContact CG-CE2 3.83Å; P20-Y22 PolarHBondContact O-N 3.23Å |
| 23 | P | 59.7 | Low | 56.7 | Low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 143 | 167.3 | 27.2 | -31.7 | 0 | 0 | 0 | 110 | A25 | P23-A25 PolarHBondContact O-N 3.2Š|
| 24 | P | 53.5 | Low | 57.7 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -67 | 123.6 | 179.6 | 27.9 | -32.2 | 0 | 0 | 0 | 110 | ||
| 25 | A | 55.8 | Low | 57.2 | Low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | 33.1 | 101.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117 | P23 Q27 | P23-A25 PolarHBondContact O-N 3.2Å; A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 3.46Å | ||
| 26 | M | 53.3 | Low | 57.3 | Low | 194 Ų | 194 | 137.2 Ų | 137.2 | 96% | 0.956 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 98.2 | 150.5 | -79.3 | 176.6 | 172 | 0 | 0 | 107.7 | M28 | M26-M28 PolarHBondContact O-N 3.44Š| ||
| 27 | Q | 57 | Low | 57.6 | Low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -55.4 | 106.6 | 167.7 | -168.4 | 168 | -58.7 | 0 | 0 | 107.5 | A25 S29 | A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 3.46Å; Q27-S29 PolarHBondContact O-N 3.42Å | ||
| 28 | M | 52.8 | Low | 57.8 | Low | 182 Ų | 182 | 136.2 Ų | 136.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.1 | 174.6 | -74.6 | 178.2 | 158.2 | 0 | 0 | 108.5 | M26 | M26-M28 PolarHBondContact O-N 3.44Š|
| 29 | S | 57.5 | Low | 58 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.3 | 171.2 | 18.9 | 0 | 0 | 0 | 0 | 109.8 | Q27 | Q27-S29 PolarHBondContact O-N 3.42Š|
| 30 | P | 64 | Low | 58.6 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 140 | 177.8 | 23.3 | -30.3 | 0 | 0 | 0 | 110.9 | ||
| 31 | Q | 64.9 | Low | 58.9 | Low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.9 | -177.4 | -168.5 | 143.6 | -21.8 | 0 | 0 | 112 | ||
| 32 | A | 57.6 | Low | 58.8 | Low | 78 Ų | 78 | 136.9 Ų | 136.9 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 33 | P | 64.6 | Low | 59.1 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.1 | 178.8 | 24.9 | -32.3 | 0 | 0 | 0 | 111.1 | Y35 | P33-Y35 PolarHBondContact O-N 2.88Š|
| 34 | P | 63 | Low | 58.9 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.1 | 177.3 | 25 | -31.5 | 0 | 0 | 0 | 110.4 | T36 | P34-T36 PolarHBondContact O-N 2.95Š|
| 35 | Y | 51.3 | Low | 59.1 | Low | 213 Ų | 213 | 131.6 Ų | 131.6 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -65.1 | 113.6 | 174.6 | -76.1 | -89.9 | 0 | 0 | 0 | 109.6 | P33 | P33-Y35 PolarHBondContact O-N 2.88Š| ||
| 36 | T | 58.9 | Low | 59 | Low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | -106.3 | 11.2 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | P34 | P34-T36 PolarHBondContact O-N 2.95Š| ||
| 37 | D | 61.9 | Low | 58.9 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | -100.5 | 93.6 | 179.8 | -149 | -103.6 | 0 | 0 | 0 | 110.1 | ||||
| 38 | T | 65.6 | Low | 58.7 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 126.8 | 165.5 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 39 | P | 62 | Low | 58.8 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143.7 | -179.5 | 24.9 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 40 | P | 63.4 | Low | 58.6 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 142.2 | -178.7 | 20.6 | -30.5 | 0 | 0 | 0 | 111.3 | ||
| 41 | A | 61.3 | Low | 57.9 | Low | 57 Ų | 57 | 134.7 Ų | 134.7 | 47% | 0.471 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 142.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S43 E44 | A41-S43 PolarHBondContact O-N 3.5Å; A41-E44 PolarHBondContact O-N 3.34Å |
| 42 | Y | 53.7 | Low | 57.2 | Low | 199 Ų | 199 | 131.4 Ų | 131.4 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -54.1 | -20.6 | -177.8 | -100.2 | -93.8 | 0 | 0 | 0 | 114.6 | E44 I45 | Y42-E44 VanDerWaalsContact C-N 3.35Å; Y42-I45 HydrophobicContact CD1-CD1 3.56Å; Y42-I45 HydrophobicContact CE1-CD1 4.05Å; Y42-I45 HydrophobicContact CG-CD1 3.95Å; Y42-I45 WeakPolarHBondContact O-CD1 3.33Å; Y42-I45 WeakPolarHBondContact O-CG1 3.5Å |
| 43 | S | 58.7 | Low | 57.2 | Low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -70.6 | -26.8 | 178.1 | -41.9 | 0 | 0 | 0 | 0 | 113.6 | A41 I45 | A41-S43 PolarHBondContact O-N 3.5Å; S43-I45 VanDerWaalsContact C-N 3.33Å |
| 44 | E | 56.7 | Low | 56.6 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 52% | 0.523 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -83.6 | -11.2 | -174.5 | -61.7 | -174.2 | 133.1 | 0 | 0 | 113.1 | A41 Y42 Y46 Q47 | A41-E44 PolarHBondContact O-N 3.34Å; Y42-E44 VanDerWaalsContact C-N 3.35Å; E44-Y46 VanDerWaalsContact C-N 3.26Å; E44-Y46 PolarHBondContact O-N 3.41Å; E44-Q47 PolarHBondContact O-N 2.95Å |
| 45 | I | 56.8 | Low | 56 | Low | 100 Ų | 100 | 134 Ų | 134 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -73.3 | -16.9 | -176.7 | -33.1 | 169.3 | 0 | 0 | 0 | 112.4 | Y42 S43 | Y42-I45 HydrophobicContact CD1-CD1 3.56Å; Y42-I45 HydrophobicContact CE1-CD1 4.05Å; Y42-I45 HydrophobicContact CG-CD1 3.95Å; Y42-I45 WeakPolarHBondContact O-CD1 3.33Å; Y42-I45 WeakPolarHBondContact O-CG1 3.5Å; S43-I45 VanDerWaalsContact C-N 3.33Å |
| 46 | Y | 53.4 | Low | 56 | Low | 207 Ų | 207 | 129.6 Ų | 129.6 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -93 | 3.7 | -178.8 | -74.3 | -82.2 | 0 | 0 | 0 | 114.5 | E44 | E44-Y46 VanDerWaalsContact C-N 3.26Å; E44-Y46 PolarHBondContact O-N 3.41Å |
| 47 | Q | 51.6 | Low | 55.2 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 56% | 0.556 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -68.5 | 131.9 | 175.8 | -69.3 | -85.9 | -11 | 0 | 0 | 110.2 | E44 R49 Y50 | E44-Q47 PolarHBondContact O-N 2.95Å; Q47-R49 PolarHBondContact O-N 2.95Å; Q47-Y50 HydrophobicContact CB-CD2 4.12Å; Q47-Y50 PolarHBondContact O-N 3.47Å |
| 48 | P | 52.3 | Low | 54.7 | Low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -63.2 | -9.9 | -177.9 | 22.5 | -31.6 | 0 | 0 | 0 | 114.3 | Y50 V51 | P48-Y50 VanDerWaalsContact C-N 3.26Å; P48-Y50 PolarHBondContact O-N 2.88Å; P48-V51 PolarHBondContact O-N 3.47Å |
| 49 | R | 55.7 | Low | 53.8 | Low | 242 Ų | 242 | 128.5 Ų | 128.5 | 91% | 0.913 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -67.7 | -22.8 | 169.6 | -115.9 | -168.4 | -176.8 | 175.2 | 2.1 | 114 | Q47 | Q47-R49 PolarHBondContact O-N 2.95Š|
| 50 | Y | 52.6 | Low | 53.1 | Low | 170 Ų | 170 | 129.5 Ų | 129.5 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -98.7 | -0.8 | 179.1 | -68 | -73.4 | 0 | 0 | 0 | 113.1 | Q47 P48 L52 | Q47-Y50 HydrophobicContact CB-CD2 4.12Å; Q47-Y50 PolarHBondContact O-N 3.47Å; P48-Y50 VanDerWaalsContact C-N 3.26Å; P48-Y50 PolarHBondContact O-N 2.88Å; Y50-L52 PolarHBondContact O-N 3.34Å |
| 51 | V | 50.4 | Low | 52.3 | Low | 107 Ų | 107 | 129.5 Ų | 129.5 | 65% | 0.648 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -80.8 | 104 | 173 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | P48 | P48-V51 PolarHBondContact O-N 3.47Š|
| 52 | L | 50.8 | Low | 51.7 | Low | 121 Ų | 121 | 135.5 Ų | 135.5 | 63% | 0.634 | 71% | 0.713 | S | S | * | * | trans | -56.7 | 136.2 | 173.3 | -105.9 | 74.5 | 0 | 0 | 0 | 109.8 | Y50 Q55 | Y50-L52 PolarHBondContact O-N 3.34Å; L52-Q55 HydrophobicContact CD2-CG 4.42Å | ||
| 53 | P | 56.8 | Low | 51.2 | Low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | trans | -59.3 | 148.1 | 167.9 | 25.2 | -31.4 | 0 | 0 | 0 | 109.6 | Q55 | P53-Q55 PolarHBondContact O-N 3.35Š| ||
| 54 | P | 50.9 | Low | 50.6 | Low | 131 Ų | 131 | 135.3 Ų | 135.3 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | trans | -55.4 | 115.5 | 179.7 | 21.5 | -32.1 | 0 | 0 | 0 | 109.6 | V56 | P54-V56 PolarHBondContact O-N 3.32Š| ||
| 55 | Q | 51.4 | Low | 49.7 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | trans | -69.6 | 122.9 | -177.9 | -65.6 | -157.2 | -42.7 | 0 | 0 | 109.5 | L52 P53 | L52-Q55 HydrophobicContact CD2-CG 4.42Å; P53-Q55 PolarHBondContact O-N 3.35Å | ||
| 56 | V | 50.2 | Low | 49.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -59.1 | 134.3 | 164.2 | -110.6 | 0 | 0 | 0 | 0 | 108.5 | P54 G58 | P54-V56 PolarHBondContact O-N 3.32Å; V56-G58 PolarHBondContact O-N 3.25Å | ||
| 57 | P | 42.3 | Very low | 48 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 112.5 | 179.4 | -14.4 | 27.4 | 0 | 0 | 0 | 109.4 | ||
| 58 | G | 52.4 | Low | 47.7 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.5 | -7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | V56 | V56-G58 PolarHBondContact O-N 3.25Š|
| 59 | Q | 46.6 | Very low | 47.2 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -122.9 | 100.4 | 173.5 | -76.5 | -157.1 | -28.1 | 0 | 0 | 111.6 | P61 | Q59-P61 WeakPolarHBondContact O-CD 3.5Š| ||
| 60 | V | 48.1 | Very low | 46.6 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | -89.1 | 121 | 163.9 | -70 | 0 | 0 | 0 | 0 | 108.8 | Q62 | V60-Q62 PolarHBondContact O-N 3.2Š| ||
| 61 | P | 45.3 | Very low | 45.9 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | trans | -64.5 | 127.7 | 165.5 | -19.7 | 32.7 | 0 | 0 | 0 | 109.3 | Q59 M63 | Q59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-M63 VanDerWaalsContact C-N 3.34Å; P61-M63 PolarHBondContact O-N 2.9Å | ||
| 62 | Q | 49.1 | Very low | 45.5 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -64.2 | 92.6 | 169.6 | -86.9 | -85 | -86.8 | 0 | 0 | 109.4 | V60 S64 | V60-Q62 PolarHBondContact O-N 3.2Å; Q62-S64 PolarHBondContact O-N 3.42Å | ||
| 63 | M | 43.5 | Very low | 44.9 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | trans | -81.9 | 94.5 | 165.5 | -79.3 | 173.2 | 111.4 | 0 | 0 | 108.5 | P61 S65 | P61-M63 VanDerWaalsContact C-N 3.34Å; P61-M63 PolarHBondContact O-N 2.9Å; M63-S65 PolarHBondContact O-N 2.81Å | ||
| 64 | S | 46.5 | Very low | 44.2 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -75 | 107.3 | 166.8 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | Q62 | Q62-S64 PolarHBondContact O-N 3.42Š| ||
| 65 | S | 37.9 | Very low | 44 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | -98.6 | 137 | 167.6 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | M63 Y67 | M63-S65 PolarHBondContact O-N 2.81Å; S65-Y67 VanDerWaalsContact C-N 3.34Å; S65-Y67 PolarHBondContact O-N 3.3Å | ||
| 66 | P | 43.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -84.7 | 12.9 | -171.2 | 32.7 | -35 | 0 | 0 | 0 | 115.8 | ||||
| 67 | Y | 30.2 | Very low | 43.7 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -96.8 | 125.6 | 177.6 | -90.1 | -89.9 | 0 | 0 | 0 | 112.3 | S65 G69 | S65-Y67 VanDerWaalsContact C-N 3.34Å; S65-Y67 PolarHBondContact O-N 3.3Å; Y67-G69 PolarHBondContact O-N 2.8Å | ||
| 68 | P | 45.8 | Very low | 43.6 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -80.4 | 64 | 174.7 | 34.4 | -32.2 | 0 | 0 | 0 | 109.7 | ||||
| 69 | G | 40.6 | Very low | 43.3 | Very low | 50 Ų | 50 | 142.6 Ų | 142.6 | 52% | 0.515 | 76% | 0.76 | S | S | . | * | trans | -82.5 | 136.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y67 Q71 | Y67-G69 PolarHBondContact O-N 2.8Å; G69-Q71 PolarHBondContact O-N 2.9Å | ||
| 70 | H | 43.9 | Very low | 42.9 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -52.5 | 96.2 | 177.1 | -74.4 | 45.7 | 0 | 0 | 0 | 110.9 | V72 | H70-V72 PolarHBondContact O-N 2.99Š| ||
| 71 | Q | 37.3 | Very low | 42.6 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -83.5 | 96.8 | 164.2 | -66.2 | -68.8 | -3.4 | 0 | 0 | 106.2 | G69 Y73 | G69-Q71 PolarHBondContact O-N 2.9Å; Q71-Y73 PolarHBondContact O-N 3.01Å | ||
| 72 | V | 43.6 | Very low | 42.5 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | -65.1 | 79.5 | 161.3 | -74.5 | 0 | 0 | 0 | 0 | 107.4 | H70 M74 | H70-V72 PolarHBondContact O-N 2.99Å; V72-M74 VanDerWaalsContact C-N 3.27Å; V72-M74 PolarHBondContact O-N 3.44Å | ||
| 73 | Y | 36.9 | Very low | 42.5 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -69.4 | 95.2 | 170.8 | -171 | -104.8 | 0 | 0 | 0 | 107 | Q71 P75 | Q71-Y73 PolarHBondContact O-N 3.01Å; Y73-P75 HydrophobicContact CD1-CB 4.11Å; Y73-P75 HydrophobicContact CE1-CB 3.64Å; Y73-P75 WeakPolarHBondContact O-CD 3.2Å | ||
| 74 | M | 43.4 | Very low | 42.6 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | trans | -70.8 | 111.4 | 155.3 | -125.5 | 118.8 | 92.5 | 0 | 0 | 105.2 | V72 M76 | V72-M74 VanDerWaalsContact C-N 3.27Å; V72-M74 PolarHBondContact O-N 3.44Å; M74-M76 VanDerWaalsContact C-N 3.28Å; M74-M76 PolarHBondContact O-N 2.98Å | ||
| 75 | P | 45.6 | Very low | 42.4 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 54% | 0.539 | 74% | 0.739 | S | S | . | * | trans | -66.2 | 96.8 | 168.8 | 26.7 | -31.4 | 0 | 0 | 0 | 107.4 | Y73 Q77 | Y73-P75 HydrophobicContact CD1-CB 4.11Å; Y73-P75 HydrophobicContact CE1-CB 3.64Å; Y73-P75 WeakPolarHBondContact O-CD 3.2Å; P75-Q77 VanDerWaalsContact C-N 3.27Å; P75-Q77 PolarHBondContact O-N 2.78Å | ||
| 76 | M | 48.3 | Very low | 42.6 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -60 | 103.6 | 150.4 | -98.5 | -79.8 | 104.2 | 0 | 0 | 105.2 | M74 | M74-M76 VanDerWaalsContact C-N 3.28Å; M74-M76 PolarHBondContact O-N 2.98Å | ||
| 77 | Q | 47.8 | Very low | 42.8 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -57.5 | 126.4 | 178 | -64.2 | -167.4 | -6.2 | 0 | 0 | 107.9 | P75 H79 | P75-Q77 VanDerWaalsContact C-N 3.27Å; P75-Q77 PolarHBondContact O-N 2.78Å; Q77-H79 PolarHBondContact O-N 2.76Å; Q77-H79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | P | 40.5 | Very low | 43.5 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -61.5 | 122 | 171.3 | 23.2 | -29.1 | 0 | 0 | 0 | 107.6 | M80 | P78-M80 PolarHBondContact O-N 2.96Š| ||
| 79 | H | 44.9 | Very low | 43.2 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -61.1 | 108.1 | 165.1 | 49.5 | -87.2 | 0 | 0 | 0 | 106.2 | Q77 Q81 | Q77-H79 PolarHBondContact O-N 2.76Å; Q77-H79 VanDerWaalsContact O-N 3.14Å; H79-Q81 PolarHBondContact O-N 3.21Å; H79-Q81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | M | 38.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | trans | -63.4 | 118 | 175.5 | -75 | 176 | 69.9 | 0 | 0 | 107.9 | P78 V82 | P78-M80 PolarHBondContact O-N 2.96Å; M80-V82 PolarHBondContact O-N 2.92Å | ||
| 81 | Q | 41.3 | Very low | 43.2 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -65.5 | 100.9 | 171.7 | -171.4 | 169.1 | 8 | 0 | 0 | 107.8 | H79 G83 | H79-Q81 PolarHBondContact O-N 3.21Å; H79-Q81 VanDerWaalsContact O-N 3.1Å; Q81-G83 PolarHBondContact O-N 3.4Å; Q81-G83 VanDerWaalsContact O-N 3.11Å | ||
| 82 | V | 43.4 | Very low | 43.5 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 110.6 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 107.1 | M80 | M80-V82 PolarHBondContact O-N 2.92Š| ||
| 83 | G | 49.5 | Very low | 43.1 | Very low | 44 Ų | 44 | 135.6 Ų | 135.6 | 45% | 0.454 | 73% | 0.732 | S | S | . | * | trans | -58.2 | 156.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q81 V85 | Q81-G83 PolarHBondContact O-N 3.4Å; Q81-G83 VanDerWaalsContact O-N 3.11Å; G83-V85 VanDerWaalsContact C-N 3.35Å; G83-V85 PolarHBondContact O-N 2.89Å | ||
| 84 | P | 45.4 | Very low | 43 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 92% | 0.922 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 93.4 | -173.9 | 26 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 85 | V | 43.2 | Very low | 43 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 62% | 0.618 | 73% | 0.734 | S | S | * | * | trans | -85.9 | 126.4 | 170.2 | 170.5 | 0 | 0 | 0 | 0 | 106.9 | G83 | G83-V85 VanDerWaalsContact C-N 3.35Å; G83-V85 PolarHBondContact O-N 2.89Å | ||
| 86 | G | 41.9 | Very low | 42.9 | Very low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | trans | -52.9 | 150.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N88 | G86-N88 PolarHBondContact O-N 3.29Š| ||
| 87 | Q | 47.1 | Very low | 43.1 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 94% | 0.944 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -40.2 | 129.9 | 168.3 | -93.6 | -179 | -32.5 | 0 | 0 | 110.8 | ||
| 88 | N | 44.8 | Very low | 43.5 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | 112.6 | 40.8 | 159 | -153.3 | 27.2 | 0 | 0 | 0 | 118.3 | G86 | G86-N88 PolarHBondContact O-N 3.29Š| ||
| 89 | V | 39.1 | Very low | 44.3 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | -136.3 | 117.2 | 155.3 | -118.9 | 0 | 0 | 0 | 0 | 109.8 | M91 | V89-M91 PolarHBondContact O-N 3.5Š| ||
| 90 | P | 38.6 | Very low | 44.8 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | trans | -64.3 | 106.7 | 170.6 | 24.3 | -29.1 | 0 | 0 | 0 | 108.4 | A92 | P90-A92 VanDerWaalsContact C-N 3.32Å; P90-A92 PolarHBondContact O-N 3.24Å | ||
| 91 | M | 46.9 | Very low | 45.8 | Very low | 133 Ų | 133 | 116.4 Ų | 116.4 | 66% | 0.655 | 67% | 0.669 | S | S | * | * | trans | -66.2 | 92.4 | 171.5 | -81.3 | -70 | -165.8 | 0 | 0 | 108.6 | V89 Y93 | V89-M91 PolarHBondContact O-N 3.5Å; M91-Y93 VanDerWaalsContact C-N 3.34Å; M91-Y93 HydrophobicContact CB-CD2 4.37Å; M91-Y93 HydrophobicContact CB-CE2 4.38Å; M91-Y93 PolarHBondContact O-N 2.8Å | ||
| 92 | A | 42.4 | Very low | 46.5 | Very low | 69 Ų | 69 | 115.8 Ų | 115.8 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | trans | -65.6 | 98 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | P90 Y94 | P90-A92 VanDerWaalsContact C-N 3.32Å; P90-A92 PolarHBondContact O-N 3.24Å; A92-Y94 HydrophobicContact CB-CD2 4.1Å; A92-Y94 HydrophobicContact CB-CE2 3.73Å; A92-Y94 WeakPolarHBondContact O-CD2 3.46Å; A92-Y94 PolarHBondContact O-N 2.89Å | ||
| 93 | Y | 35 | Very low | 47.3 | Very low | 197 Ų | 197 | 113.6 Ų | 113.6 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -65.7 | 88.6 | 169.5 | -92.3 | -98.6 | 0 | 0 | 0 | 108.1 | M91 P95 | M91-Y93 VanDerWaalsContact C-N 3.34Å; M91-Y93 HydrophobicContact CB-CD2 4.37Å; M91-Y93 HydrophobicContact CB-CE2 4.38Å; M91-Y93 PolarHBondContact O-N 2.8Å; Y93-P95 WeakPolarHBondContact O-CD 3.49Å | ||
| 94 | Y | 35.8 | Very low | 47.7 | Very low | 196 Ų | 196 | 112.9 Ų | 112.9 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -70.8 | 121.9 | 161.1 | -72.9 | -84.9 | 0 | 0 | 0 | 107 | A92 M96 | A92-Y94 HydrophobicContact CB-CD2 4.1Å; A92-Y94 HydrophobicContact CB-CE2 3.73Å; A92-Y94 WeakPolarHBondContact O-CD2 3.46Å; A92-Y94 PolarHBondContact O-N 2.89Å; Y94-M96 PolarHBondContact O-N 3.42Å | ||
| 95 | P | 42.3 | Very low | 48.4 | Very low | 126 Ų | 126 | 109.8 Ų | 109.8 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | -60.9 | 105.9 | 170.4 | 24.2 | -30.4 | 0 | 0 | 0 | 107.3 | Y93 G97 | Y93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-G97 PolarHBondContact O-N 3.08Å; P95-G97 VanDerWaalsContact O-N 3.17Å | ||
| 96 | M | 44.5 | Very low | 49.5 | Very low | 161 Ų | 161 | 106 Ų | 106 | 79% | 0.793 | 61% | 0.608 | S | S | * | * | trans | -64.1 | 115.2 | 175.2 | -150.7 | -94.5 | -122.1 | 0 | 0 | 106.3 | Y94 V99 | Y94-M96 PolarHBondContact O-N 3.42Å; M96-V99 HydrophobicContact CE-CG2 3.88Å; M96-V99 HydrophobicContact SD-CG2 3.38Å; M96-V99 WeakPolarHBondContact SD-CG2 3.35Å | ||
| 97 | G | 53.3 | Low | 50.8 | Low | 55 Ų | 55 | 110 Ų | 110 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | trans | -56.8 | 157.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P95 V99 | P95-G97 PolarHBondContact O-N 3.08Å; P95-G97 VanDerWaalsContact O-N 3.17Å; G97-V99 PolarHBondContact O-N 2.98Å | ||
| 98 | A | 56 | Low | 51.9 | Low | 60 Ų | 60 | 102.2 Ų | 102.2 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | trans | -52.5 | 116.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y100 Q144 | A98-Y100 HydrophobicContact CB-CE2 4.11Å; A98-Q144 PolarHBondContact O-NE2 3.22Å | ||
| 99 | V | 55.7 | Low | 52.9 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | trans | -93.9 | 115.8 | 172.7 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | M96 G97 P101 | M96-V99 HydrophobicContact CE-CG2 3.88Å; M96-V99 HydrophobicContact SD-CG2 3.38Å; M96-V99 WeakPolarHBondContact SD-CG2 3.35Å; G97-V99 PolarHBondContact O-N 2.98Å; V99-P101 WeakPolarHBondContact O-CD 3.41Å | ||
| 100 | Y | 56.8 | Low | 54.2 | Low | 44 Ų | 44 | 97.3 Ų | 97.3 | 17% | 0.173 | 55% | 0.553 | C | S | . | * | trans | -89 | 115.2 | 171.4 | -60.3 | -77.6 | 0 | 0 | 0 | 107.7 | A98 V106 L140 A141 Q144 | A98-Y100 HydrophobicContact CB-CE2 4.11Å; Y100-V106 HydrophobicContact CD1-CG2 3.4Å; Y100-V106 HydrophobicContact CE1-CG1 4.44Å; Y100-V106 HydrophobicContact CE1-CG2 3.54Å; Y100-V106 HydrophobicContact CG-CG2 4.29Å; Y100-L140 HydrophobicContact CD2-CB 4.34Å; Y100-L140 HydrophobicContact CE2-CB 3.69Å; Y100-A141 HydrophobicContact CD1-CB 4.35Å; Y100-A141 HydrophobicContact CD2-CB 4.24Å; Y100-A141 HydrophobicContact CE1-CB 4.46Å; Y100-A141 HydrophobicContact CE2-CB 4.37Å; Y100-A141 HydrophobicContact CG-CB 4.24Å; Y100-Q144 PolarHBondContact O-OE1 3.33Å | ||
| 101 | P | 59.5 | Low | 55.5 | Low | 86 Ų | 86 | 93 Ų | 93 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -58.5 | 146.7 | 176.5 | -22.1 | 32.1 | 0 | 0 | 0 | 111.3 | V99 G103 S104 | V99-P101 WeakPolarHBondContact O-CD 3.41Å; P101-G103 PolarHBondContact O-N 3.33Å; P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 3.11Å; P101-S104 PolarHBondContact O-OG 2.99Å | ||
| 102 | H | 55.6 | Low | 56.4 | Low | 174 Ų | 174 | 88.7 Ų | 88.7 | 81% | 0.806 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.6 | 174.1 | -50.6 | -66.2 | 0 | 0 | 0 | 110.2 | S104 | H102-S104 VanDerWaalsContact C-N 3.3Š|
| 103 | G | 60.3 | Low | 57.5 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 58% | 0.577 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 2.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P101 | P101-G103 PolarHBondContact O-N 3.33Š|
| 104 | S | 58.3 | Low | 58.6 | Low | 28 Ų | 28 | 80.8 Ų | 80.8 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | trans | -66.5 | 154 | 169.5 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | P101 H102 A146 N147 | P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 3.11Å; P101-S104 PolarHBondContact O-OG 2.99Å; H102-S104 VanDerWaalsContact C-N 3.3Å; S104-A146 CarbonylContact O-C 3.5Å; S104-A146 WeakPolarHBondContact O-CA 3.35Å; S104-A146 WeakPolarHBondContact O-CB 3.27Å; S104-A146 VanDerWaalsContact OG-CB 3.24Å; S104-A146 WeakPolarHBondContact OG-CB 3.2Å; S104-N147 PolarHBondContact O-N 2.99Å; S104-N147 PolarHBondContact O-ND2 2.89Å | ||
| 105 | T | 59.1 | Low | 59.8 | Low | 78 Ų | 78 | 73.2 Ų | 73.2 | 48% | 0.479 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.6 | 178 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | N147 V149 | T105-N147 CarbonylContact C-O 3.49Å; T105-N147 VanDerWaalsContact CA-O 3.23Å; T105-N147 WeakPolarHBondContact CA-O 3.47Å; T105-N147 HydrophobicContact CG2-CB 4.17Å; T105-V149 HydrophobicContact CG2-CB 4.47Å; T105-V149 HydrophobicContact CG2-CG2 3.26Å |
| 106 | V | 67.6 | Low | 60.9 | Low | 21 Ų | 21 | 68.4 Ų | 68.4 | 13% | 0.127 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.2 | -179.7 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | Y100 V108 A141 A146 N147 V148 V149 | Y100-V106 HydrophobicContact CD1-CG2 3.4Å; Y100-V106 HydrophobicContact CE1-CG1 4.44Å; Y100-V106 HydrophobicContact CE1-CG2 3.54Å; Y100-V106 HydrophobicContact CG-CG2 4.29Å; V106-V108 HydrophobicContact CG1-CG2 4.36Å; V106-A141 HydrophobicContact CB-CB 3.7Å; V106-A141 HydrophobicContact CG1-CB 4.08Å; V106-A141 HydrophobicContact CG2-CB 3.46Å; V106-A141 VanDerWaalsContact CG2-CB 3.46Å; V106-A146 HydrophobicContact CG2-CB 4.43Å; V106-N147 PolarHBondContact N-O 3.14Å; V106-V148 CarbonylContact O-C 3.4Å; V106-V148 WeakPolarHBondContact O-CA 3.23Å; V106-V149 PolarHBondContact O-N 3.19Å |
| 107 | M | 69.3 | Low | 61.6 | Low | 144 Ų | 144 | 68.2 Ų | 68.2 | 71% | 0.709 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.1 | 174 | -60.7 | -146 | -167.3 | 0 | 0 | 110.7 | V149 | M107-V149 CarbonylContact C-O 3.57Å; M107-V149 VanDerWaalsContact CA-O 3.3Å; M107-V149 WeakPolarHBondContact CA-O 3.21Å; M107-V149 HydrophobicContact CG-CB 4.02Å; M107-V149 HydrophobicContact CG-CG2 4.4Å; M107-V149 HydrophobicContact SD-CG1 4.43Å |
| 108 | V | 69.8 | Low | 62.1 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 106.2 | 171.7 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | V106 A138 V148 V149 M150 T151 | V106-V108 HydrophobicContact CG1-CG2 4.36Å; V108-A138 HydrophobicContact CG2-CB 3.69Å; V108-V148 HydrophobicContact CG2-CG1 4.46Å; V108-V149 PolarHBondContact N-O 2.75Å; V108-M150 HydrophobicContact CB-CG 4.04Å; V108-M150 HydrophobicContact CG1-CG 4.47Å; V108-M150 WeakPolarHBondContact O-CA 3.35Å; V108-T151 PolarHBondContact O-N 2.96Å |
| 109 | D | 65.2 | Low | 62.2 | Low | 141 Ų | 141 | 70.5 Ų | 70.5 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.5 | 179.4 | -168.1 | -110.7 | 0 | 0 | 0 | 111.3 | G111 T151 | D109-G111 VanDerWaalsContact C-N 3.27Å; D109-G111 PolarHBondContact O-N 3.47Å; D109-T151 VanDerWaalsContact CA-OG1 3.25Å; D109-T151 WeakPolarHBondContact CA-OG1 3.15Å; D109-T151 PolarHBondContact OD2-OG1 2.91Å |
| 110 | G | 67.1 | Low | 62.1 | Low | 18 Ų | 18 | 71.7 Ų | 71.7 | 19% | 0.186 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.9 | 20.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F112 T151 R153 | G110-F112 PolarHBondContact O-N 2.83Å; G110-T151 CarbonylContact C-O 3.57Å; G110-T151 WeakPolarHBondContact CA-O 3.27Å; G110-T151 PolarHBondContact N-O 3.26Å; G110-T151 PolarHBondContact N-OG1 3.22Å; G110-R153 VanDerWaalsContact O-CG 3.23Å; G110-R153 WeakPolarHBondContact O-CG 3.33Å; G110-R153 PolarHBondContact O-NE 2.98Å |
| 111 | G | 66.1 | Low | 61.9 | Low | 34 Ų | 34 | 73 Ų | 73 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -24.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D109 T151 | D109-G111 VanDerWaalsContact C-N 3.27Å; D109-G111 PolarHBondContact O-N 3.47Å; G111-T151 PolarHBondContact N-O 3.48Å |
| 112 | F | 64.1 | Low | 61.6 | Low | 42 Ų | 42 | 71.1 Ų | 71.1 | 18% | 0.184 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.3 | 178.4 | -66 | -72.3 | 0 | 0 | 0 | 113.2 | G110 A116 F118 V124 M150 T151 Q152 R153 T167 W169 | G110-F112 PolarHBondContact O-N 2.83Å; F112-A116 HydrophobicContact CB-CB 3.86Å; F112-A116 HydrophobicContact CG-CB 4.47Å; F112-F118 HydrophobicContact CB-CZ 4.02Å; F112-F118 HydrophobicContact CD1-CE1 4.32Å; F112-F118 AromaticContact CD2-CE1 3.65Å; F112-F118 HydrophobicContact CD2-CE1 3.65Å; F112-F118 AromaticContact CD2-CZ 3.4Å; F112-F118 HydrophobicContact CD2-CZ 3.4Å; F112-F118 VanDerWaalsContact CD2-CZ 3.4Å; F112-F118 AromaticContact CE2-CE1 3.83Å; F112-F118 HydrophobicContact CE2-CE1 3.83Å; F112-F118 AromaticContact CE2-CZ 3.98Å; F112-F118 HydrophobicContact CE2-CZ 3.98Å; F112-F118 AromaticContact CG-CE1 3.9Å; F112-F118 HydrophobicContact CG-CE1 3.9Å; F112-F118 AromaticContact CG-CZ 3.75Å; F112-F118 HydrophobicContact CG-CZ 3.75Å; F112-F118 HydrophobicContact CZ-CE1 4.33Å; F112-V124 HydrophobicContact CE1-CG1 4.24Å; F112-V124 HydrophobicContact CE2-CG1 4.36Å; F112-V124 HydrophobicContact CZ-CG1 3.5Å; F112-V124 VanDerWaalsContact CZ-CG1 3.5Å; F112-M150 HydrophobicContact CD2-CB 3.73Å; F112-M150 HydrophobicContact CE2-CB 3.26Å; F112-M150 HydrophobicContact CE2-CG 4.11Å; F112-M150 HydrophobicContact CE2-SD 3.82Å; F112-M150 HydrophobicContact CZ-CB 4.2Å; F112-M150 HydrophobicContact CZ-SD 3.85Å; F112-T151 PolarHBondContact N-O 2.94Å; F112-Q152 HydrophobicContact CB-CG 4.04Å; F112-R153 VanDerWaalsContact O-CG 3.28Å; F112-R153 WeakPolarHBondContact O-CG 3.39Å; F112-R153 PolarHBondContact O-N 3.1Å; F112-T167 HydrophobicContact CD2-CG2 4.24Å; F112-T167 HydrophobicContact CE2-CG2 3.36Å; F112-T167 HydrophobicContact CZ-CG2 3.93Å; F112-W169 HydrophobicContact CZ-CH2 4.29Å; F112-W169 HydrophobicContact CZ-CZ3 4.48Å |
| 113 | D | 66.2 | Low | 61.2 | Low | 94 Ų | 94 | 68.3 Ų | 68.3 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | trans | -58.7 | 150 | 170.2 | -171 | -93 | 0 | 0 | 0 | 111.4 | G115 A116 R153 | D113-G115 PolarHBondContact O-N 3.46Å; D113-G115 VanDerWaalsContact O-N 3.11Å; D113-G115 PolarHBondContact OD1-N 2.79Å; D113-A116 VanDerWaalsContact O-CB 3.27Å; D113-A116 WeakPolarHBondContact O-CB 3.41Å; D113-A116 PolarHBondContact O-N 3.49Å; D113-R153 IonicContact OD2-NH1 3.9Å | ||
| 114 | A | 57.5 | Low | 60.8 | Low | 5 Ų | 5 | 67.5 Ų | 67.5 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q152 R153 N155 | A114-Q152 PolarHBondContact O-OE1 2.99Å; A114-R153 WeakPolarHBondContact CB-O 3.3Å; A114-N155 HydrophobicContact CB-CB 3.55Å |
| 115 | G | 62 | Low | 60.5 | Low | 38 Ų | 38 | 70.4 Ų | 70.4 | 39% | 0.392 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -3.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | D113 R117 | D113-G115 PolarHBondContact O-N 3.46Å; D113-G115 VanDerWaalsContact O-N 3.11Å; D113-G115 PolarHBondContact OD1-N 2.79Å; G115-R117 PolarHBondContact O-NH1 3.32Å |
| 116 | A | 64.3 | Low | 60.3 | Low | 25 Ų | 25 | 68.5 Ų | 68.5 | 21% | 0.207 | 43% | 0.432 | C | S | . | . | trans | -61 | 142 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F112 D113 F118 Q152 | F112-A116 HydrophobicContact CB-CB 3.86Å; F112-A116 HydrophobicContact CG-CB 4.47Å; D113-A116 VanDerWaalsContact O-CB 3.27Å; D113-A116 WeakPolarHBondContact O-CB 3.41Å; D113-A116 PolarHBondContact O-N 3.49Å; A116-F118 HydrophobicContact CB-CE1 4.43Å; A116-F118 HydrophobicContact CB-CZ 4.34Å; A116-Q152 HydrophobicContact CB-CG 4.21Å; A116-Q152 VanDerWaalsContact O-CD 3.3Å; A116-Q152 PolarHBondContact O-NE2 3.02Å; A116-Q152 PolarHBondContact O-OE1 2.92Å | ||
| 117 | R | 60.3 | Low | 59.7 | Low | 157 Ų | 157 | 72 Ų | 72 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | trans | -119.4 | 113.4 | -179.9 | -60.4 | -70.6 | -179.3 | -101.1 | 7.6 | 107.8 | G115 T119 S162 | G115-R117 PolarHBondContact O-NH1 3.32Å; R117-T119 PolarHBondContact O-N 2.95Å; R117-S162 PolarHBondContact NH1-OG 3.36Å | ||
| 118 | F | 64.1 | Low | 58.7 | Low | 62 Ų | 62 | 70.2 Ų | 70.2 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | trans | -89.8 | 98.2 | 172.5 | -49.5 | -60 | 0 | 0 | 0 | 107.4 | F112 A116 V124 Q152 T167 | F112-F118 HydrophobicContact CB-CZ 4.02Å; F112-F118 HydrophobicContact CD1-CE1 4.32Å; F112-F118 AromaticContact CD2-CE1 3.65Å; F112-F118 HydrophobicContact CD2-CE1 3.65Å; F112-F118 AromaticContact CD2-CZ 3.4Å; F112-F118 HydrophobicContact CD2-CZ 3.4Å; F112-F118 VanDerWaalsContact CD2-CZ 3.4Å; F112-F118 AromaticContact CE2-CE1 3.83Å; F112-F118 HydrophobicContact CE2-CE1 3.83Å; F112-F118 AromaticContact CE2-CZ 3.98Å; F112-F118 HydrophobicContact CE2-CZ 3.98Å; F112-F118 AromaticContact CG-CE1 3.9Å; F112-F118 HydrophobicContact CG-CE1 3.9Å; F112-F118 AromaticContact CG-CZ 3.75Å; F112-F118 HydrophobicContact CG-CZ 3.75Å; F112-F118 HydrophobicContact CZ-CE1 4.33Å; A116-F118 HydrophobicContact CB-CE1 4.43Å; A116-F118 HydrophobicContact CB-CZ 4.34Å; F118-V124 HydrophobicContact CD1-CG2 4.38Å; F118-Q152 HydrophobicContact CE2-CG 3.57Å; F118-Q152 HydrophobicContact CZ-CG 3.72Å; F118-T167 HydrophobicContact CD1-CG2 3.97Å; F118-T167 HydrophobicContact CE1-CG2 3.68Å; F118-T167 HydrophobicContact CZ-CG2 4.16Å | ||
| 119 | T | 57.6 | Low | 57.6 | Low | 101 Ų | 101 | 71.3 Ų | 71.3 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | trans | -102.4 | 159 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | R117 G121 S122 | R117-T119 PolarHBondContact O-N 2.95Å; T119-G121 PolarHBondContact O-N 2.75Å; T119-S122 PolarHBondContact N-OG 2.9Å; T119-S122 PolarHBondContact O-N 2.76Å; T119-S122 PolarHBondContact O-OG 2.82Å | ||
| 120 | A | 53.2 | Low | 57 | Low | 119 Ų | 119 | 68 Ų | 68 | 98% | 0.983 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -0.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 121 | G | 53 | Low | 56.7 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | 6.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T119 S123 | T119-G121 PolarHBondContact O-N 2.75Å; G121-S123 PolarHBondContact O-N 3.11Å |
| 122 | S | 52.7 | Low | 56.2 | Low | 48 Ų | 48 | 75.7 Ų | 75.7 | 34% | 0.336 | 50% | 0.503 | S | S | . | . | trans | -83.2 | 104.7 | 176.1 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | T119 V124 | T119-S122 PolarHBondContact N-OG 2.9Å; T119-S122 PolarHBondContact O-N 2.76Å; T119-S122 PolarHBondContact O-OG 2.82Å; S122-V124 PolarHBondContact O-N 2.96Å; S122-V124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | S | 48.2 | Very low | 55.7 | Low | 115 Ų | 115 | 79.7 Ų | 79.7 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | trans | -65.6 | 108.4 | 170.2 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | G121 S125 | G121-S123 PolarHBondContact O-N 3.11Å; S123-S125 PolarHBondContact O-N 2.79Å | ||
| 124 | V | 52.3 | Low | 55.3 | Low | 39 Ų | 39 | 80.7 Ų | 80.7 | 24% | 0.236 | 53% | 0.533 | C | S | . | . | trans | -73.7 | 110.7 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 108.6 | F112 F118 S122 T167 W169 | F112-V124 HydrophobicContact CE1-CG1 4.24Å; F112-V124 HydrophobicContact CE2-CG1 4.36Å; F112-V124 HydrophobicContact CZ-CG1 3.5Å; F112-V124 VanDerWaalsContact CZ-CG1 3.5Å; F118-V124 HydrophobicContact CD1-CG2 4.38Å; S122-V124 PolarHBondContact O-N 2.96Å; S122-V124 VanDerWaalsContact O-N 3.11Å; V124-T167 HydrophobicContact CB-CG2 4.31Å; V124-T167 HydrophobicContact CG1-CG2 3.98Å; V124-T167 HydrophobicContact CG2-CG2 3.71Å; V124-W169 HydrophobicContact CB-CE3 4.17Å; V124-W169 HydrophobicContact CB-CZ3 4.21Å; V124-W169 HydrophobicContact CG1-CD2 4.37Å; V124-W169 HydrophobicContact CG1-CE3 3.72Å; V124-W169 HydrophobicContact CG1-CH2 3.57Å; V124-W169 HydrophobicContact CG1-CZ2 4.28Å; V124-W169 HydrophobicContact CG1-CZ3 3.33Å | ||
| 125 | S | 51.9 | Low | 55.3 | Low | 88 Ų | 88 | 83.2 Ų | 83.2 | 62% | 0.615 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 121.2 | 177 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | S123 P127 | S123-S125 PolarHBondContact O-N 2.79Å; S125-P127 WeakPolarHBondContact O-CD 3.23Å |
| 126 | I | 55 | Low | 55.4 | Low | 38 Ų | 38 | 85.2 Ų | 85.2 | 20% | 0.195 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -64.4 | 119.7 | 160.9 | -58.7 | -179 | 0 | 0 | 0 | 105.7 | Q139 A142 M150 W169 | I126-Q139 HydrophobicContact CG2-CG 3.58Å; I126-A142 HydrophobicContact CD1-CB 3.78Å; I126-M150 HydrophobicContact CG1-CE 4.36Å; I126-W169 HydrophobicContact CD1-CZ2 3.65Å; I126-W169 HydrophobicContact CG1-CH2 4.38Å; I126-W169 HydrophobicContact CG1-CZ2 3.35Å |
| 127 | P | 53.9 | Low | 55.3 | Low | 94 Ų | 94 | 86.3 Ų | 86.3 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 134 | 174.4 | 23.4 | -31.4 | 0 | 0 | 0 | 108.3 | S125 Q139 | S125-P127 WeakPolarHBondContact O-CD 3.23Å; P127-Q139 PolarHBondContact O-NE2 3.48Å |
| 128 | P | 48.4 | Very low | 55.5 | Low | 107 Ų | 107 | 79 Ų | 79 | 70% | 0.695 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 145 | 179.5 | 23.1 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 129 | P | 47.8 | Very low | 55.5 | Low | 62 Ų | 62 | 76.7 Ų | 76.7 | 40% | 0.403 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 130.1 | -178.3 | 21.8 | -32 | 0 | 0 | 0 | 109.3 | ||
| 130 | P | 52.2 | Low | 56 | Low | 71 Ų | 71 | 74.7 Ų | 74.7 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 137.1 | 174.6 | -24.8 | 33.2 | 0 | 0 | 0 | 109.6 | G132 H133 | P130-G132 PolarHBondContact O-N 2.95Å; P130-H133 HydrophobicContact CB-CB 4.3Å; P130-H133 PolarHBondContact O-N 2.78Å |
| 131 | P | 59.4 | Low | 56.5 | Low | 135 Ų | 135 | 69 Ų | 69 | 88% | 0.877 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 119.7 | 176.3 | -27.5 | 35 | 0 | 0 | 0 | 110.9 | ||
| 132 | G | 55.7 | Low | 57 | Low | 79 Ų | 79 | 67.4 Ų | 67.4 | 81% | 0.814 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 11.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P130 | P130-G132 PolarHBondContact O-N 2.95Š|
| 133 | H | 54.3 | Low | 57.7 | Low | 127 Ų | 127 | 71.6 Ų | 71.6 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | -110.1 | 136.1 | 172.2 | -70.4 | 5.1 | 0 | 0 | 0 | 111.8 | P130 | P130-H133 HydrophobicContact CB-CB 4.3Å; P130-H133 PolarHBondContact O-N 2.78Å | ||
| 134 | P | 57.2 | Low | 58.5 | Low | 114 Ų | 114 | 69 Ų | 69 | 74% | 0.74 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 145.1 | 176.1 | 26.6 | -33.5 | 0 | 0 | 0 | 110.4 | N136 | P134-N136 PolarHBondContact O-N 3.36Š|
| 135 | P | 56.9 | Low | 58.9 | Low | 59 Ų | 59 | 69.6 Ų | 69.6 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 135.5 | 178.9 | -24.8 | 33.6 | 0 | 0 | 0 | 112.1 | Q139 L140 | P135-Q139 VanDerWaalsContact CA-OE1 3.31Å; P135-Q139 HydrophobicContact CB-CB 4.14Å; P135-L140 HydrophobicContact CB-CD2 3.97Å; P135-L140 HydrophobicContact CB-CG 4.13Å; P135-L140 HydrophobicContact CG-CD2 4.49Å |
| 136 | N | 64.6 | Low | 59.3 | Low | 79 Ų | 79 | 65.6 Ų | 65.6 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 164.4 | 177.3 | 73 | 26.6 | 0 | 0 | 0 | 111.6 | P134 A138 Q139 L140 | P134-N136 PolarHBondContact O-N 3.36Å; N136-A138 VanDerWaalsContact C-N 3.25Å; N136-A138 PolarHBondContact O-N 2.98Å; N136-A138 WeakPolarHBondContact OD1-CB 3.16Å; N136-A138 PolarHBondContact OD1-N 3.18Å; N136-Q139 WeakPolarHBondContact O-CA 3.28Å; N136-Q139 WeakPolarHBondContact O-CB 3.25Å; N136-Q139 PolarHBondContact O-N 3.05Å; N136-Q139 VanDerWaalsContact OD1-CB 3.31Å; N136-Q139 WeakPolarHBondContact OD1-CB 3.4Å; N136-Q139 WeakPolarHBondContact OD1-CG 3.15Å; N136-Q139 PolarHBondContact OD1-N 2.84Å; N136-L140 PolarHBondContact O-N 3.04Å |
| 137 | A | 63 | Low | 59.6 | Low | 49 Ų | 49 | 66.6 Ų | 66.6 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -34.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A141 | A137-A141 WeakPolarHBondContact O-CB 3.28Å; A137-A141 PolarHBondContact O-N 3.2Å |
| 138 | A | 63.8 | Low | 60.2 | Low | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V108 N136 A141 A142 V148 M150 | V108-A138 HydrophobicContact CG2-CB 3.69Å; N136-A138 VanDerWaalsContact C-N 3.25Å; N136-A138 PolarHBondContact O-N 2.98Å; N136-A138 WeakPolarHBondContact OD1-CB 3.16Å; N136-A138 PolarHBondContact OD1-N 3.18Å; A138-A141 PolarHBondContact O-N 3.44Å; A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.24Å; A138-A142 PolarHBondContact O-N 3.33Å; A138-V148 HydrophobicContact CB-CG1 3.64Å; A138-V148 WeakPolarHBondContact O-CG2 3.37Å; A138-M150 HydrophobicContact CB-CE 3.38Å |
| 139 | Q | 65.1 | Low | 61.3 | Low | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 177.3 | -75.3 | 163.6 | -8.2 | 0 | 0 | 110.7 | I126 P127 P135 N136 A141 A142 M143 | I126-Q139 HydrophobicContact CG2-CG 3.58Å; P127-Q139 PolarHBondContact O-NE2 3.48Å; P135-Q139 VanDerWaalsContact CA-OE1 3.31Å; P135-Q139 HydrophobicContact CB-CB 4.14Å; N136-Q139 WeakPolarHBondContact O-CA 3.28Å; N136-Q139 WeakPolarHBondContact O-CB 3.25Å; N136-Q139 PolarHBondContact O-N 3.05Å; N136-Q139 VanDerWaalsContact OD1-CB 3.31Å; N136-Q139 WeakPolarHBondContact OD1-CB 3.4Å; N136-Q139 WeakPolarHBondContact OD1-CG 3.15Å; N136-Q139 PolarHBondContact OD1-N 2.84Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; Q139-A142 PolarHBondContact O-N 3.21Å; Q139-M143 WeakPolarHBondContact O-CB 3.14Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 3.43Å |
| 140 | L | 67.7 | Low | 62.4 | Low | 58 Ų | 58 | 55.2 Ų | 55.2 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 175 | -68 | 175.3 | 0 | 0 | 0 | 111.8 | Y100 P135 N136 Q144 | Y100-L140 HydrophobicContact CD2-CB 4.34Å; Y100-L140 HydrophobicContact CE2-CB 3.69Å; P135-L140 HydrophobicContact CB-CD2 3.97Å; P135-L140 HydrophobicContact CB-CG 4.13Å; P135-L140 HydrophobicContact CG-CD2 4.49Å; N136-L140 PolarHBondContact O-N 3.04Å; L140-Q144 VanDerWaalsContact O-CG 3.27Å; L140-Q144 WeakPolarHBondContact O-CG 3.38Å; L140-Q144 PolarHBondContact O-N 3.49Å |
| 141 | A | 62.6 | Low | 63.2 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y100 V106 A137 A138 Q139 M143 Q144 G145 A146 V148 | Y100-A141 HydrophobicContact CD1-CB 4.35Å; Y100-A141 HydrophobicContact CD2-CB 4.24Å; Y100-A141 HydrophobicContact CE1-CB 4.46Å; Y100-A141 HydrophobicContact CE2-CB 4.37Å; Y100-A141 HydrophobicContact CG-CB 4.24Å; V106-A141 HydrophobicContact CB-CB 3.7Å; V106-A141 HydrophobicContact CG1-CB 4.08Å; V106-A141 HydrophobicContact CG2-CB 3.46Å; V106-A141 VanDerWaalsContact CG2-CB 3.46Å; A137-A141 WeakPolarHBondContact O-CB 3.28Å; A137-A141 PolarHBondContact O-N 3.2Å; A138-A141 PolarHBondContact O-N 3.44Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; A141-M143 VanDerWaalsContact C-N 3.34Å; A141-M143 PolarHBondContact O-N 2.87Å; A141-Q144 PolarHBondContact O-N 3.41Å; A141-Q144 VanDerWaalsContact O-N 3.14Å; A141-G145 PolarHBondContact O-N 3.14Å; A141-A146 HydrophobicContact CB-CB 4.05Å; A141-A146 VanDerWaalsContact O-CB 3.29Å; A141-A146 WeakPolarHBondContact O-CB 3.29Å; A141-A146 PolarHBondContact O-N 2.92Å; A141-V148 HydrophobicContact CB-CG2 3.75Å |
| 142 | A | 63.8 | Low | 63.5 | Low | 36 Ų | 36 | 47.6 Ų | 47.6 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I126 A138 Q139 Q144 G145 V148 | I126-A142 HydrophobicContact CD1-CB 3.78Å; A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.24Å; A138-A142 PolarHBondContact O-N 3.33Å; Q139-A142 PolarHBondContact O-N 3.21Å; A142-Q144 PolarHBondContact O-N 2.64Å; A142-G145 PolarHBondContact O-N 3.31Å; A142-V148 HydrophobicContact CB-CG2 3.99Å |
| 143 | M | 68 | Low | 64.1 | Low | 137 Ų | 137 | 50.2 Ų | 50.2 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.4 | -29.8 | 176.7 | -77.4 | 177.9 | 177.5 | 0 | 0 | 113.1 | Q139 A141 G145 | Q139-M143 WeakPolarHBondContact O-CB 3.14Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 3.43Å; A141-M143 VanDerWaalsContact C-N 3.34Å; A141-M143 PolarHBondContact O-N 2.87Å; M143-G145 VanDerWaalsContact C-N 3.32Å |
| 144 | Q | 64.4 | Low | 64.4 | Low | 59 Ų | 59 | 53 Ų | 53 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 5.3 | -179.3 | -65.4 | 178.1 | 28.2 | 0 | 0 | 112.8 | A98 Y100 L140 A141 A142 A146 | A98-Q144 PolarHBondContact O-NE2 3.22Å; Y100-Q144 PolarHBondContact O-OE1 3.33Å; L140-Q144 VanDerWaalsContact O-CG 3.27Å; L140-Q144 WeakPolarHBondContact O-CG 3.38Å; L140-Q144 PolarHBondContact O-N 3.49Å; A141-Q144 PolarHBondContact O-N 3.41Å; A141-Q144 VanDerWaalsContact O-N 3.14Å; A142-Q144 PolarHBondContact O-N 2.64Å; Q144-A146 VanDerWaalsContact C-N 3.32Å |
| 145 | G | 60.8 | Low | 64.4 | Low | 53 Ų | 53 | 50.2 Ų | 50.2 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 23.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A141 A142 M143 | A141-G145 PolarHBondContact O-N 3.14Å; A142-G145 PolarHBondContact O-N 3.31Å; M143-G145 VanDerWaalsContact C-N 3.32Å |
| 146 | A | 61.2 | Low | 64.6 | Low | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | trans | -83.6 | 142.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S104 V106 A141 Q144 V148 | S104-A146 CarbonylContact O-C 3.5Å; S104-A146 WeakPolarHBondContact O-CA 3.35Å; S104-A146 WeakPolarHBondContact O-CB 3.27Å; S104-A146 VanDerWaalsContact OG-CB 3.24Å; S104-A146 WeakPolarHBondContact OG-CB 3.2Å; V106-A146 HydrophobicContact CG2-CB 4.43Å; A141-A146 HydrophobicContact CB-CB 4.05Å; A141-A146 VanDerWaalsContact O-CB 3.29Å; A141-A146 WeakPolarHBondContact O-CB 3.29Å; A141-A146 PolarHBondContact O-N 2.92Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; A146-V148 PolarHBondContact O-N 3.34Å | ||
| 147 | N | 61.4 | Low | 64.2 | Low | 60 Ų | 60 | 58.5 Ų | 58.5 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.2 | 174 | -57.4 | -79 | 0 | 0 | 0 | 108.7 | S104 T105 V106 I168 W169 | S104-N147 PolarHBondContact O-N 2.99Å; S104-N147 PolarHBondContact O-ND2 2.89Å; T105-N147 CarbonylContact C-O 3.49Å; T105-N147 VanDerWaalsContact CA-O 3.23Å; T105-N147 WeakPolarHBondContact CA-O 3.47Å; T105-N147 HydrophobicContact CG2-CB 4.17Å; V106-N147 PolarHBondContact N-O 3.14Å; N147-I168 HydrophobicContact CB-CG2 4.01Å; N147-W169 CarbonylContact C-O 3.53Å; N147-W169 VanDerWaalsContact CA-O 3.28Å; N147-W169 WeakPolarHBondContact CA-O 3.42Å |
| 148 | V | 66.7 | Low | 63.9 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.2 | 178 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | V106 V108 A138 A141 A142 A146 M150 I168 W169 | V106-V148 CarbonylContact O-C 3.4Å; V106-V148 WeakPolarHBondContact O-CA 3.23Å; V108-V148 HydrophobicContact CG2-CG1 4.46Å; A138-V148 HydrophobicContact CB-CG1 3.64Å; A138-V148 WeakPolarHBondContact O-CG2 3.37Å; A141-V148 HydrophobicContact CB-CG2 3.75Å; A142-V148 HydrophobicContact CB-CG2 3.99Å; A146-V148 PolarHBondContact O-N 3.34Å; V148-M150 HydrophobicContact CG1-CE 3.97Å; V148-M150 HydrophobicContact CG1-CG 4.05Å; V148-I168 WeakPolarHBondContact O-CA 3.42Å; V148-W169 HydrophobicContact CB-CZ2 4.19Å; V148-W169 HydrophobicContact CG1-CH2 4.48Å; V148-W169 HydrophobicContact CG1-CZ2 4.21Å; V148-W169 PolarHBondContact N-O 3.34Å; V148-W169 PolarHBondContact O-N 2.99Å |
| 149 | V | 71 | Confident | 63.7 | Low | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112.3 | 173.9 | -175 | 0 | 0 | 0 | 0 | 107.8 | T105 V106 M107 V108 Y166 T167 I168 | T105-V149 HydrophobicContact CG2-CB 4.47Å; T105-V149 HydrophobicContact CG2-CG2 3.26Å; V106-V149 PolarHBondContact O-N 3.19Å; M107-V149 CarbonylContact C-O 3.57Å; M107-V149 VanDerWaalsContact CA-O 3.3Å; M107-V149 WeakPolarHBondContact CA-O 3.21Å; M107-V149 HydrophobicContact CG-CB 4.02Å; M107-V149 HydrophobicContact CG-CG2 4.4Å; M107-V149 HydrophobicContact SD-CG1 4.43Å; V108-V149 PolarHBondContact N-O 2.75Å; V149-Y166 HydrophobicContact CG1-CD2 4.11Å; V149-Y166 HydrophobicContact CG1-CG 4.41Å; V149-T167 CarbonylContact C-O 3.49Å; V149-T167 WeakPolarHBondContact CA-O 3.38Å; V149-I168 HydrophobicContact CB-CG1 4.38Å; V149-I168 HydrophobicContact CG1-CD1 4.49Å; V149-I168 HydrophobicContact CG1-CG1 4.19Å; V149-I168 HydrophobicContact CG2-CB 4.43Å; V149-I168 HydrophobicContact CG2-CD1 3.83Å; V149-I168 HydrophobicContact CG2-CG1 3.82Å; V149-I168 HydrophobicContact CG2-CG2 4.05Å |
| 150 | M | 71.1 | Confident | 62.9 | Low | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.7 | 174 | -78.9 | -165.8 | -161.2 | 0 | 0 | 110.2 | V108 F112 I126 A138 V148 Y166 T167 W169 | V108-M150 HydrophobicContact CB-CG 4.04Å; V108-M150 HydrophobicContact CG1-CG 4.47Å; V108-M150 WeakPolarHBondContact O-CA 3.35Å; F112-M150 HydrophobicContact CD2-CB 3.73Å; F112-M150 HydrophobicContact CE2-CB 3.26Å; F112-M150 HydrophobicContact CE2-CG 4.11Å; F112-M150 HydrophobicContact CE2-SD 3.82Å; F112-M150 HydrophobicContact CZ-CB 4.2Å; F112-M150 HydrophobicContact CZ-SD 3.85Å; I126-M150 HydrophobicContact CG1-CE 4.36Å; A138-M150 HydrophobicContact CB-CE 3.38Å; V148-M150 HydrophobicContact CG1-CE 3.97Å; V148-M150 HydrophobicContact CG1-CG 4.05Å; M150-Y166 CarbonylContact O-C 3.44Å; M150-Y166 WeakPolarHBondContact O-CA 3.46Å; M150-T167 PolarHBondContact N-O 2.91Å; M150-T167 PolarHBondContact O-N 2.98Å; M150-W169 HydrophobicContact CB-CH2 4.12Å; M150-W169 HydrophobicContact CB-CZ3 4.29Å; M150-W169 HydrophobicContact CE-CH2 3.59Å; M150-W169 HydrophobicContact CE-CZ2 3.65Å; M150-W169 HydrophobicContact CG-CH2 3.72Å; M150-W169 HydrophobicContact CG-CZ3 4.34Å; M150-W169 HydrophobicContact SD-CH2 3.53Å; M150-W169 VanDerWaalsContact SD-CH2 3.53Å; M150-W169 HydrophobicContact SD-CZ2 4.22Å |
| 151 | T | 67.9 | Low | 62.3 | Low | 30 Ų | 30 | 72.9 Ų | 72.9 | 18% | 0.184 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 156.3 | 177.5 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | V108 D109 G110 G111 F112 G165 | V108-T151 PolarHBondContact O-N 2.96Å; D109-T151 VanDerWaalsContact CA-OG1 3.25Å; D109-T151 WeakPolarHBondContact CA-OG1 3.15Å; D109-T151 PolarHBondContact OD2-OG1 2.91Å; G110-T151 CarbonylContact C-O 3.57Å; G110-T151 WeakPolarHBondContact CA-O 3.27Å; G110-T151 PolarHBondContact N-O 3.26Å; G110-T151 PolarHBondContact N-OG1 3.22Å; G111-T151 PolarHBondContact N-O 3.48Å; F112-T151 PolarHBondContact N-O 2.94Å; T151-G165 WeakPolarHBondContact CA-O 3.36Å |
| 152 | Q | 66.6 | Low | 61.9 | Low | 15 Ų | 15 | 75.4 Ų | 75.4 | 7% | 0.07 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.5 | 168.4 | -74.8 | 177 | 35.8 | 0 | 0 | 111 | F112 A114 A116 F118 K154 S162 G165 | F112-Q152 HydrophobicContact CB-CG 4.04Å; A114-Q152 PolarHBondContact O-OE1 2.99Å; A116-Q152 HydrophobicContact CB-CG 4.21Å; A116-Q152 VanDerWaalsContact O-CD 3.3Å; A116-Q152 PolarHBondContact O-NE2 3.02Å; A116-Q152 PolarHBondContact O-OE1 2.92Å; F118-Q152 HydrophobicContact CE2-CG 3.57Å; F118-Q152 HydrophobicContact CZ-CG 3.72Å; Q152-K154 PolarHBondContact O-N 3.19Å; Q152-S162 PolarHBondContact OE1-O 3.02Å; Q152-G165 PolarHBondContact N-O 2.74Å |
| 153 | R | 67.5 | Low | 61.5 | Low | 134 Ų | 134 | 77.4 Ų | 77.4 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 140.3 | 168.3 | -68.5 | 179.2 | -137.7 | 162.8 | 5.9 | 109.4 | G110 F112 D113 A114 N155 | G110-R153 VanDerWaalsContact O-CG 3.23Å; G110-R153 WeakPolarHBondContact O-CG 3.33Å; G110-R153 PolarHBondContact O-NE 2.98Å; F112-R153 VanDerWaalsContact O-CG 3.28Å; F112-R153 WeakPolarHBondContact O-CG 3.39Å; F112-R153 PolarHBondContact O-N 3.1Å; D113-R153 IonicContact OD2-NH1 3.9Å; A114-R153 WeakPolarHBondContact CB-O 3.3Å; R153-N155 PolarHBondContact O-N 3.11Å |
| 154 | K | 60.3 | Low | 61 | Low | 187 Ų | 187 | 74 Ų | 74 | 81% | 0.813 | 42% | 0.418 | S | S | * | . | trans | -68.8 | 115 | 173.3 | -171 | 175.8 | -178.3 | -179.9 | 0 | 109.2 | Q152 | Q152-K154 PolarHBondContact O-N 3.19Š| ||
| 155 | N | 58.8 | Low | 60.9 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -81.9 | 151 | 170.4 | -139.1 | 14.4 | 0 | 0 | 0 | 111.1 | A114 R153 G161 | A114-N155 HydrophobicContact CB-CB 3.55Å; R153-N155 PolarHBondContact O-N 3.11Å; N155-G161 WeakPolarHBondContact ND2-CA 3.31Å; N155-G161 PolarHBondContact ND2-N 2.88Å | ||
| 156 | N | 59.4 | Low | 60.8 | Low | 116 Ų | 116 | 76.8 Ų | 76.8 | 62% | 0.62 | 42% | 0.418 | S | S | * | . | trans | -70.4 | 136 | 167.5 | -82.7 | 20.5 | 0 | 0 | 0 | 110.3 | F158 L159 | N156-F158 PolarHBondContact O-N 3.26Å; N156-L159 PolarHBondContact O-N 3.44Å; N156-L159 VanDerWaalsContact O-N 3.08Å | ||
| 157 | F | 57 | Low | 60.7 | Low | 196 Ų | 196 | 77.9 Ų | 77.9 | 86% | 0.86 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -50.3 | -28.3 | -177.5 | -178.4 | -99.8 | 0 | 0 | 0 | 114.5 | L159 | F157-L159 VanDerWaalsContact C-N 3.34Å; F157-L159 PolarHBondContact O-N 3.17Å |
| 158 | F | 57.3 | Low | 60.8 | Low | 189 Ų | 189 | 79.1 Ų | 79.1 | 83% | 0.829 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -73.2 | -17.2 | -178.4 | -63.6 | -79.1 | 0 | 0 | 0 | 115.3 | N156 | N156-F158 PolarHBondContact O-N 3.26Š|
| 159 | L | 58.2 | Low | 60.6 | Low | 139 Ų | 139 | 84 Ų | 84 | 73% | 0.728 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -107.3 | 12.1 | -174.4 | -68.3 | 169.7 | 0 | 0 | 0 | 113.6 | N156 F157 G161 | N156-L159 PolarHBondContact O-N 3.44Å; N156-L159 VanDerWaalsContact O-N 3.08Å; F157-L159 VanDerWaalsContact C-N 3.34Å; F157-L159 PolarHBondContact O-N 3.17Å; L159-G161 PolarHBondContact O-N 3.06Å |
| 160 | G | 49.3 | Very low | 60.1 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 74% | 0.742 | 47% | 0.468 | S | S | * | . | trans | 63.2 | 33.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 161 | G | 55.4 | Low | 59.5 | Low | 26 Ų | 26 | 91.6 Ų | 91.6 | 27% | 0.268 | 49% | 0.489 | S | S | . | . | trans | -97.8 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N155 L159 S163 | N155-G161 WeakPolarHBondContact ND2-CA 3.31Å; N155-G161 PolarHBondContact ND2-N 2.88Å; L159-G161 PolarHBondContact O-N 3.06Å; G161-S163 PolarHBondContact O-N 2.86Å | ||
| 162 | S | 53.3 | Low | 59.1 | Low | 52 Ų | 52 | 95 Ų | 95 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | trans | -76.1 | 98 | 173.8 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | R117 Q152 | R117-S162 PolarHBondContact NH1-OG 3.36Å; Q152-S162 PolarHBondContact OE1-O 3.02Å | ||
| 163 | S | 55.6 | Low | 58.6 | Low | 79 Ų | 79 | 99.7 Ų | 99.7 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | trans | -76 | 132.4 | 165.5 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | G161 | G161-S163 PolarHBondContact O-N 2.86Š| ||
| 164 | G | 58.5 | Low | 58.1 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | trans | 131.5 | 2.5 | 163 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 165 | G | 61.9 | Low | 57.9 | Low | 21 Ų | 21 | 91.6 Ų | 91.6 | 22% | 0.216 | 51% | 0.514 | C | S | . | . | trans | -74.7 | 141.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T151 Q152 | T151-G165 WeakPolarHBondContact CA-O 3.36Å; Q152-G165 PolarHBondContact N-O 2.74Å | ||
| 166 | Y | 57.8 | Low | 57.9 | Low | 150 Ų | 150 | 94.2 Ų | 94.2 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 157 | 164.6 | 64.9 | -87.8 | 0 | 0 | 0 | 109.5 | V149 M150 I168 | V149-Y166 HydrophobicContact CG1-CD2 4.11Å; V149-Y166 HydrophobicContact CG1-CG 4.41Å; M150-Y166 CarbonylContact O-C 3.44Å; M150-Y166 WeakPolarHBondContact O-CA 3.46Å; Y166-I168 HydrophobicContact CD2-CD1 4.02Å; Y166-I168 HydrophobicContact CD2-CG1 3.86Å; Y166-I168 HydrophobicContact CE2-CD1 3.8Å; Y166-I168 HydrophobicContact CE2-CG1 4.06Å |
| 167 | T | 59.3 | Low | 57.7 | Low | 26 Ų | 26 | 92.5 Ų | 92.5 | 16% | 0.16 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.9 | 171.6 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | F112 F118 V124 V149 M150 W169 | F112-T167 HydrophobicContact CD2-CG2 4.24Å; F112-T167 HydrophobicContact CE2-CG2 3.36Å; F112-T167 HydrophobicContact CZ-CG2 3.93Å; F118-T167 HydrophobicContact CD1-CG2 3.97Å; F118-T167 HydrophobicContact CE1-CG2 3.68Å; F118-T167 HydrophobicContact CZ-CG2 4.16Å; V124-T167 HydrophobicContact CB-CG2 4.31Å; V124-T167 HydrophobicContact CG1-CG2 3.98Å; V124-T167 HydrophobicContact CG2-CG2 3.71Å; V149-T167 CarbonylContact C-O 3.49Å; V149-T167 WeakPolarHBondContact CA-O 3.38Å; M150-T167 PolarHBondContact N-O 2.91Å; M150-T167 PolarHBondContact O-N 2.98Å; T167-W169 HydrophobicContact CG2-CE3 4.13Å; T167-W169 HydrophobicContact CG2-CZ3 3.49Å; T167-W169 VanDerWaalsContact CG2-CZ3 3.49Å |
| 168 | I | 63.6 | Low | 57.8 | Low | 87 Ų | 87 | 83.9 Ų | 83.9 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.4 | -172.1 | -43.3 | -171.1 | 0 | 0 | 0 | 107.7 | N147 V148 V149 Y166 | N147-I168 HydrophobicContact CB-CG2 4.01Å; V148-I168 WeakPolarHBondContact O-CA 3.42Å; V149-I168 HydrophobicContact CB-CG1 4.38Å; V149-I168 HydrophobicContact CG1-CD1 4.49Å; V149-I168 HydrophobicContact CG1-CG1 4.19Å; V149-I168 HydrophobicContact CG2-CB 4.43Å; V149-I168 HydrophobicContact CG2-CD1 3.83Å; V149-I168 HydrophobicContact CG2-CG1 3.82Å; V149-I168 HydrophobicContact CG2-CG2 4.05Å; Y166-I168 HydrophobicContact CD2-CD1 4.02Å; Y166-I168 HydrophobicContact CD2-CG1 3.86Å; Y166-I168 HydrophobicContact CE2-CD1 3.8Å; Y166-I168 HydrophobicContact CE2-CG1 4.06Å |
| 169 | W | 63.4 | Low | 57.8 | Low | 102 Ų | 102 | 74.4 Ų | 74.4 | 39% | 0.386 | 47% | 0.465 | S | S | . | . | trans | -148.5 | 0 | 168 | 63.9 | 86.3 | 0 | 0 | 0 | 110.7 | F112 V124 I126 N147 V148 M150 T167 | F112-W169 HydrophobicContact CZ-CH2 4.29Å; F112-W169 HydrophobicContact CZ-CZ3 4.48Å; V124-W169 HydrophobicContact CB-CE3 4.17Å; V124-W169 HydrophobicContact CB-CZ3 4.21Å; V124-W169 HydrophobicContact CG1-CD2 4.37Å; V124-W169 HydrophobicContact CG1-CE3 3.72Å; V124-W169 HydrophobicContact CG1-CH2 3.57Å; V124-W169 HydrophobicContact CG1-CZ2 4.28Å; V124-W169 HydrophobicContact CG1-CZ3 3.33Å; I126-W169 HydrophobicContact CD1-CZ2 3.65Å; I126-W169 HydrophobicContact CG1-CH2 4.38Å; I126-W169 HydrophobicContact CG1-CZ2 3.35Å; N147-W169 CarbonylContact C-O 3.53Å; N147-W169 VanDerWaalsContact CA-O 3.28Å; N147-W169 WeakPolarHBondContact CA-O 3.42Å; V148-W169 HydrophobicContact CB-CZ2 4.19Å; V148-W169 HydrophobicContact CG1-CH2 4.48Å; V148-W169 HydrophobicContact CG1-CZ2 4.21Å; V148-W169 PolarHBondContact N-O 3.34Å; V148-W169 PolarHBondContact O-N 2.99Å; M150-W169 HydrophobicContact CB-CH2 4.12Å; M150-W169 HydrophobicContact CB-CZ3 4.29Å; M150-W169 HydrophobicContact CE-CH2 3.59Å; M150-W169 HydrophobicContact CE-CZ2 3.65Å; M150-W169 HydrophobicContact CG-CH2 3.72Å; M150-W169 HydrophobicContact CG-CZ3 4.34Å; M150-W169 HydrophobicContact SD-CH2 3.53Å; M150-W169 VanDerWaalsContact SD-CH2 3.53Å; M150-W169 HydrophobicContact SD-CZ2 4.22Å; T167-W169 HydrophobicContact CG2-CE3 4.13Å; T167-W169 HydrophobicContact CG2-CZ3 3.49Å; T167-W169 VanDerWaalsContact CG2-CZ3 3.49Å |
Retrieved 169 of 169 residues in 131 ms
(Link to these results)