| 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 | 46.8 | Very low | 44.5 | Very low | 252 Ų | 252 | 140.3 Ų | 140.3 | 100% | 1.241 | 87% | 0.872 | S | S | * | * | 0 | 101.8 | 0 | -70 | -174.5 | -179.9 | 0 | 0 | 106.9 | |||||
| 2 | G | 48.9 | Very low | 44.1 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 87% | 0.866 | 87% | 0.871 | S | S | * | * | 125.6 | 146.7 | 106.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 3 | A | 48.7 | Very low | 43.8 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 88% | 0.88 | S | S | * | * | cis | -147.2 | 158.5 | 16.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | G | 40.2 | Very low | 43.3 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 88% | 0.875 | S | S | * | * | trans | -88.6 | 148.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | D | 61.2 | Low | 42.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 88% | 0.879 | S | S | * | * | trans | -122.1 | 110.9 | 165.2 | -80.4 | -31.4 | 0 | 0 | 0 | 108.3 | ||||
| 6 | N | 41.2 | Very low | 42.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 88% | 0.878 | S | S | * | * | trans | -122.3 | 132.9 | 162.6 | -92.2 | -28.4 | 0 | 0 | 0 | 106 | ||||
| 7 | V | 42.2 | Very low | 41.9 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 81% | 0.812 | 87% | 0.866 | S | S | * | * | trans | 174.5 | 107.6 | 138.3 | 152.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | T | 41.7 | Very low | 41.4 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 78% | 0.779 | 87% | 0.869 | S | S | * | * | 48.1 | 117.3 | 128.5 | -21.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 9 | K | 40.7 | Very low | 41.1 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 86% | 0.855 | S | S | * | * | trans | -126.4 | 122.8 | 155.9 | -81.9 | -175.3 | 175.8 | 176.8 | 0 | 108.5 | ||||
| 10 | D | 41.5 | Very low | 40.9 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 91% | 0.914 | 86% | 0.856 | S | S | * | * | trans | -173.1 | 132.5 | 156.1 | -88.8 | -30 | 0 | 0 | 0 | 105.2 | ||||
| 11 | G | 36.8 | Very low | 40.5 | Very low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | cis | 166.6 | 117.5 | 6.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 12 | A | 38.6 | Very low | 39.8 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -79.4 | 140.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | R | 41.2 | Very low | 39 | Very low | 260 Ų | 260 | 137.2 Ų | 137.2 | 98% | 0.981 | 81% | 0.812 | S | S | * | * | trans | -164 | 122.6 | 149.8 | -129.5 | 171.4 | 168.2 | -166.6 | -4.3 | 114.4 | ||||
| 14 | G | 36.6 | Very low | 38.6 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 107.5 | 70.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 15 | K | 34.3 | Very low | 38.3 | Very low | 216 Ų | 216 | 147.2 Ų | 147.2 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -91.5 | 127.5 | 155.5 | -73.9 | -179.2 | 177.2 | 179 | 0 | 110.1 | ||||
| 16 | S | 39.4 | Very low | 37 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -172.1 | 111 | 156 | 171.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 17 | G | 32.4 | Very low | 36.7 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 105 | 107.3 | 30.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | R | 32.9 | Very low | 36.8 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 81.1 | 133.6 | 148.6 | -167.1 | 172.3 | 167.8 | 160.3 | -4.9 | 115.9 | ||||
| 19 | S | 35 | Very low | 36.7 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 59% | 0.587 | 81% | 0.805 | S | S | * | * | cis | 175.1 | 163.2 | -3.7 | 46.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | K | 36.8 | Very low | 36.5 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 145.2 | 154.5 | -80.8 | -177.9 | 162.4 | 174.8 | 0 | 117.1 | ||||
| 21 | A | 33.9 | Very low | 36.5 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | 178.5 | 171.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | V | 32.1 | Very low | 36.2 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 82.9 | 109.2 | 146.7 | -169.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 23 | S | 32.1 | Very low | 36 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | 67.6 | 123.6 | 129.2 | -163.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 24 | R | 38.9 | Very low | 35.8 | Very low | 228 Ų | 228 | 128 Ų | 128 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 177.3 | 106 | 110.5 | -93 | 166.4 | 165.1 | -168.7 | -6.2 | 107.5 | |||||
| 25 | Q | 34.3 | Very low | 35.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | 56.1 | 102.2 | 95.3 | -89.5 | -175.6 | -34.8 | 0 | 0 | 113.3 | |||||
| 26 | D | 33.9 | Very low | 36.1 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | 61.6 | 86.3 | 132.1 | -52.6 | -26.4 | 0 | 0 | 0 | 118.1 | S28 | D26-S28 PolarHBondContact O-N 3.41Š| ||
| 27 | S | 35.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | 18.5 | 95.8 | 111.8 | -45.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 28 | S | 44 | Very low | 37.2 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -157.9 | 72 | 148.4 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | D26 | D26-S28 PolarHBondContact O-N 3.41Š| ||
| 29 | S | 38.8 | Very low | 37.9 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -133.2 | 90.3 | 152.1 | 66.3 | 0 | 0 | 0 | 0 | 108.5 | S31 | S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | S | 37.8 | Very low | 38.6 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | trans | -60 | 97.2 | 161.6 | 163.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | S | 40.3 | Very low | 39.2 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -108.9 | 112.3 | 147.5 | 59.2 | 0 | 0 | 0 | 0 | 105.7 | S29 G33 | S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.12Å; S31-G33 PolarHBondContact O-N 2.79Å | ||
| 32 | G | 31.9 | Very low | 39.6 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -63.4 | 79.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E34 | G32-E34 PolarHBondContact O-N 2.95Å; G32-E34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | G | 34.1 | Very low | 40.6 | Very low | 59 Ų | 59 | 122.1 Ų | 122.1 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | trans | -62.7 | 111.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | S31 I35 | S31-G33 PolarHBondContact O-N 2.79Å; G33-I35 PolarHBondContact O-N 2.91Å | ||
| 34 | E | 36.5 | Very low | 41.3 | Very low | 139 Ų | 139 | 126 Ų | 126 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -53 | 111.5 | 170.4 | -68.2 | 169.2 | 165.4 | 0 | 0 | 107.8 | G32 Y36 | G32-E34 PolarHBondContact O-N 2.95Å; G32-E34 VanDerWaalsContact O-N 3.12Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 HydrophobicContact CB-CD2 4.27Å; E34-Y36 HydrophobicContact CB-CE2 3.71Å; E34-Y36 VanDerWaalsContact O-CD2 3.23Å; E34-Y36 WeakPolarHBondContact O-CD2 3.44Å; E34-Y36 PolarHBondContact O-N 2.87Å; E34-Y36 PolarHBondContact OE2-OH 3.29Å | ||
| 35 | I | 37.4 | Very low | 42.1 | Very low | 170 Ų | 170 | 118.8 Ų | 118.8 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | trans | -74.7 | 95.4 | 177.4 | -53.9 | 174.7 | 0 | 0 | 0 | 105.7 | G33 E37 | G33-I35 PolarHBondContact O-N 2.91Å; I35-E37 PolarHBondContact O-N 2.94Å | ||
| 36 | Y | 41 | Very low | 42.5 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 40% | 0.4 | 66% | 0.661 | S | S | . | * | trans | -70.2 | 114.6 | 174.6 | -71.5 | -83.8 | 0 | 0 | 0 | 109.2 | E34 G38 Y51 F62 | E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 HydrophobicContact CB-CD2 4.27Å; E34-Y36 HydrophobicContact CB-CE2 3.71Å; E34-Y36 VanDerWaalsContact O-CD2 3.23Å; E34-Y36 WeakPolarHBondContact O-CD2 3.44Å; E34-Y36 PolarHBondContact O-N 2.87Å; E34-Y36 PolarHBondContact OE2-OH 3.29Å; Y36-G38 PolarHBondContact O-N 3.38Å; Y36-Y51 WeakPolarHBondContact CB-OH 3.21Å; Y36-Y51 PolarHBondContact O-OH 3.21Å; Y36-F62 AromaticContact CD1-CE2 3.84Å; Y36-F62 HydrophobicContact CD1-CE2 3.84Å; Y36-F62 AromaticContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD2-CE2 4.08Å; Y36-F62 AromaticContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CE1-CD2 4.32Å; Y36-F62 AromaticContact CE1-CE2 3.24Å; Y36-F62 HydrophobicContact CE1-CE2 3.24Å; Y36-F62 AromaticContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE2-CD2 4.35Å; Y36-F62 HydrophobicContact CE2-CE1 4.44Å; Y36-F62 AromaticContact CE2-CE2 3.51Å; Y36-F62 HydrophobicContact CE2-CE2 3.51Å; Y36-F62 AromaticContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CG-CE2 4.23Å; Y36-F62 AromaticContact CG-CZ 3.83Å; Y36-F62 HydrophobicContact CG-CZ 3.83Å; Y36-F62 AromaticContact CZ-CD2 3.87Å; Y36-F62 AromaticContact CZ-CE2 3.05Å; Y36-F62 AromaticContact CZ-CZ 3.56Å; Y36-F62 VanDerWaalsContact OH-CE2 3.25Å; Y36-F62 WeakPolarHBondContact OH-CE2 3.25Å | ||
| 37 | E | 44.7 | Very low | 43.7 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | trans | -72.4 | 73.8 | 170.6 | -165.1 | 174.8 | -157.2 | 0 | 0 | 108.9 | I35 | I35-E37 PolarHBondContact O-N 2.94Š| ||
| 38 | G | 48.6 | Very low | 44.5 | Very low | 13 Ų | 13 | 119.3 Ų | 119.3 | 13% | 0.134 | 66% | 0.661 | C | S | . | * | trans | -88.5 | 135.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y36 F40 Y51 | Y36-G38 PolarHBondContact O-N 3.38Å; G38-F40 PolarHBondContact O-N 3.47Å; G38-Y51 VanDerWaalsContact CA-CZ 3.43Å; G38-Y51 WeakPolarHBondContact CA-OH 3.38Å; G38-Y51 PolarHBondContact N-OH 3.45Å; G38-Y51 VanDerWaalsContact N-OH 3.08Å | ||
| 39 | H | 49.4 | Very low | 44.7 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 62% | 0.616 | 65% | 0.652 | S | S | * | * | trans | -74.3 | 114.9 | 168.5 | -58 | -61.3 | 0 | 0 | 0 | 109.2 | K41 N53 | H39-K41 PolarHBondContact O-N 3.49Å; H39-N53 PolarHBondContact CD2-ND2 2.93Å; H39-N53 PolarHBondContact N-ND2 3.2Å | ||
| 40 | F | 49.3 | Very low | 45.2 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 61% | 0.605 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.1 | 161.1 | -66.8 | -85.5 | 0 | 0 | 0 | 107.5 | G38 F49 Y51 | G38-F40 PolarHBondContact O-N 3.47Å; F40-F49 HydrophobicContact CD1-CB 4.3Å; F40-Y51 HydrophobicContact CE1-CD2 4.01Å; F40-Y51 HydrophobicContact CZ-CD2 4.04Å; F40-Y51 HydrophobicContact CZ-CE2 4.4Å |
| 41 | K | 49.1 | Very low | 45.7 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.5 | 167 | -170.1 | 178.8 | 178 | -178.4 | 0 | 107.2 | H39 I43 I52 | H39-K41 PolarHBondContact O-N 3.49Å; K41-I43 PolarHBondContact O-N 2.92Å; K41-I52 HydrophobicContact CB-CD1 3.47Å; K41-I52 VanDerWaalsContact CB-CD1 3.47Å; K41-I52 HydrophobicContact CB-CG1 4.21Å; K41-I52 HydrophobicContact CD-CD1 3.93Å; K41-I52 HydrophobicContact CG-CD1 4.27Å |
| 42 | W | 41.7 | Very low | 46.3 | Very low | 160 Ų | 160 | 116.5 Ų | 116.5 | 61% | 0.606 | 59% | 0.592 | S | S | * | * | trans | -69 | 119.7 | 166.1 | -170.8 | 68.3 | 0 | 0 | 0 | 108 | E44 | W42-E44 HydrophobicContact CE3-CB 4.19Å; W42-E44 HydrophobicContact CH2-CB 3.98Å; W42-E44 HydrophobicContact CH2-CG 3.73Å; W42-E44 HydrophobicContact CZ3-CB 3.64Å; W42-E44 HydrophobicContact CZ3-CG 3.75Å | ||
| 43 | I | 53.5 | Low | 47 | Very low | 73 Ų | 73 | 116.1 Ų | 116.1 | 37% | 0.374 | 57% | 0.572 | S | S | . | * | trans | -96.2 | 114 | 170.1 | -57.8 | 176.7 | 0 | 0 | 0 | 105.9 | K41 G45 E46 F50 | K41-I43 PolarHBondContact O-N 2.92Å; I43-G45 PolarHBondContact O-N 3.34Å; I43-E46 PolarHBondContact O-N 2.89Å; I43-F50 HydrophobicContact CD1-CD2 4.43Å | ||
| 44 | E | 46 | Very low | 47.6 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 77% | 0.771 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 120.9 | 178.4 | -171.6 | 166.9 | -145.4 | 0 | 0 | 109.9 | W42 | W42-E44 HydrophobicContact CE3-CB 4.19Å; W42-E44 HydrophobicContact CH2-CB 3.98Å; W42-E44 HydrophobicContact CH2-CG 3.73Å; W42-E44 HydrophobicContact CZ3-CB 3.64Å; W42-E44 HydrophobicContact CZ3-CG 3.75Å |
| 45 | G | 55.8 | Low | 48.2 | Very low | 78 Ų | 78 | 112.5 Ų | 112.5 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.7 | -13.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | I43 | I43-G45 PolarHBondContact O-N 3.34Š|
| 46 | E | 44.2 | Very low | 49 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | trans | -98 | 138.4 | 173.2 | -72.3 | -178.1 | 147 | 0 | 0 | 111.1 | I43 D48 F50 | I43-E46 PolarHBondContact O-N 2.89Å; E46-D48 VanDerWaalsContact C-N 3.25Å; E46-D48 PolarHBondContact O-N 2.98Å; E46-F50 HydrophobicContact CB-CE2 4.4Å; E46-F50 WeakPolarHBondContact OE2-CD2 3.33Å; E46-F50 WeakPolarHBondContact OE2-CE2 3.41Å | ||
| 47 | K | 58.4 | Low | 49.3 | Very low | 206 Ų | 206 | 117.2 Ų | 117.2 | 90% | 0.896 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -76.7 | -11.6 | -179 | -73.6 | -175.6 | 177.6 | -179.6 | 0 | 113.5 | ||
| 48 | D | 51.5 | Low | 49.4 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 66% | 0.663 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -125.9 | 146.8 | -172 | -64 | -39.2 | 0 | 0 | 0 | 112 | E46 | E46-D48 VanDerWaalsContact C-N 3.25Å; E46-D48 PolarHBondContact O-N 2.98Å |
| 49 | F | 49.6 | Very low | 49.5 | Very low | 145 Ų | 145 | 114.1 Ų | 114.1 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -82.6 | 125.3 | -179.4 | -68.9 | -92.4 | 0 | 0 | 0 | 111.2 | F40 | F40-F49 HydrophobicContact CD1-CB 4.3Š| ||
| 50 | F | 48.9 | Very low | 49.7 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 46% | 0.456 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.4 | 170.8 | -67.6 | -87.1 | 0 | 0 | 0 | 110.7 | I43 E46 I52 | I43-F50 HydrophobicContact CD1-CD2 4.43Å; E46-F50 HydrophobicContact CB-CE2 4.4Å; E46-F50 WeakPolarHBondContact OE2-CD2 3.33Å; E46-F50 WeakPolarHBondContact OE2-CE2 3.41Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 PolarHBondContact O-N 3.39Å |
| 51 | Y | 48.4 | Very low | 49.9 | Very low | 71 Ų | 71 | 111.1 Ų | 111.1 | 28% | 0.278 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 107.8 | 172.7 | -169.6 | -93.6 | 0 | 0 | 0 | 109.2 | Y36 G38 F40 N53 | Y36-Y51 WeakPolarHBondContact CB-OH 3.21Å; Y36-Y51 PolarHBondContact O-OH 3.21Å; G38-Y51 VanDerWaalsContact CA-CZ 3.43Å; G38-Y51 WeakPolarHBondContact CA-OH 3.38Å; G38-Y51 PolarHBondContact N-OH 3.45Å; G38-Y51 VanDerWaalsContact N-OH 3.08Å; F40-Y51 HydrophobicContact CE1-CD2 4.01Å; F40-Y51 HydrophobicContact CZ-CD2 4.04Å; F40-Y51 HydrophobicContact CZ-CE2 4.4Å; Y51-N53 HydrophobicContact CE1-CB 4.27Å |
| 52 | I | 52.4 | Low | 50 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 43% | 0.426 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.1 | -168.4 | -58.2 | -162.1 | 0 | 0 | 0 | 113.4 | K41 F50 | K41-I52 HydrophobicContact CB-CD1 3.47Å; K41-I52 VanDerWaalsContact CB-CD1 3.47Å; K41-I52 HydrophobicContact CB-CG1 4.21Å; K41-I52 HydrophobicContact CD-CD1 3.93Å; K41-I52 HydrophobicContact CG-CD1 4.27Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 PolarHBondContact O-N 3.39Å |
| 53 | N | 46.9 | Very low | 50.5 | Low | 68 Ų | 68 | 102.3 Ų | 102.3 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | 35.4 | -179.4 | -76.7 | -1.5 | 0 | 0 | 0 | 114.1 | H39 Y51 | H39-N53 PolarHBondContact CD2-ND2 2.93Å; H39-N53 PolarHBondContact N-ND2 3.2Å; Y51-N53 HydrophobicContact CE1-CB 4.27Å |
| 54 | S | 46.8 | Very low | 50.8 | Low | 52 Ų | 52 | 104.2 Ų | 104.2 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -79.4 | 126.3 | 160.7 | 46.4 | 0 | 0 | 0 | 0 | 109 | ||
| 55 | P | 48.4 | Very low | 51.2 | Low | 69 Ų | 69 | 101 Ų | 101 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | trans | -50.7 | 139.9 | 173.9 | -24.2 | 32 | 0 | 0 | 0 | 110.5 | R57 | P55-R57 CarbonylContact O-C 3.52Å; P55-R57 PolarHBondContact O-N 3.47Å | ||
| 56 | P | 54.2 | Low | 51.2 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 89% | 0.89 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -61.5 | -7.4 | -165.2 | 17 | -29.2 | 0 | 0 | 0 | 116.1 | ||
| 57 | R | 46.8 | Very low | 51.9 | Low | 234 Ų | 234 | 105.2 Ų | 105.2 | 88% | 0.883 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -147.2 | 112.7 | 160.8 | -68.2 | -173.3 | -180 | -170.6 | -1.3 | 105.9 | P55 S59 | P55-R57 CarbonylContact O-C 3.52Å; P55-R57 PolarHBondContact O-N 3.47Å; R57-S59 PolarHBondContact O-N 3.39Å |
| 58 | G | 47.7 | Very low | 52 | Low | 46 Ų | 46 | 103.2 Ų | 103.2 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | trans | -57 | 128.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 59 | S | 50.3 | Low | 52.2 | Low | 83 Ų | 83 | 105.7 Ų | 105.7 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | trans | -53.3 | 142.8 | 155.9 | 51.5 | 0 | 0 | 0 | 0 | 107.7 | R57 A61 F62 | R57-S59 PolarHBondContact O-N 3.39Å; S59-A61 PolarHBondContact O-N 3.2Å; S59-F62 WeakPolarHBondContact O-CB 3.44Å; S59-F62 PolarHBondContact O-N 2.93Å | ||
| 60 | D | 53.7 | Low | 52.7 | Low | 146 Ų | 146 | 105.9 Ų | 105.9 | 78% | 0.781 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -46 | -27.9 | -178.1 | -82.1 | -30.7 | 0 | 0 | 0 | 114.4 | F62 T64 | D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.44Å; D60-T64 PolarHBondContact O-N 3.02Å; D60-T64 PolarHBondContact O-OG1 3.45Å |
| 61 | A | 53.7 | Low | 53.1 | Low | 62 Ų | 62 | 104.6 Ų | 104.6 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.8 | -34.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S59 T64 T65 | S59-A61 PolarHBondContact O-N 3.2Å; A61-T64 PolarHBondContact O-OG1 3.01Å; A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.15Å |
| 62 | F | 50.3 | Low | 53.1 | Low | 33 Ų | 33 | 109 Ų | 109 | 15% | 0.145 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -80.3 | -34.9 | -174.9 | -143.6 | -72.3 | 0 | 0 | 0 | 112.6 | Y36 S59 D60 T64 R66 | Y36-F62 AromaticContact CD1-CE2 3.84Å; Y36-F62 HydrophobicContact CD1-CE2 3.84Å; Y36-F62 AromaticContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD2-CE2 4.08Å; Y36-F62 AromaticContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CE1-CD2 4.32Å; Y36-F62 AromaticContact CE1-CE2 3.24Å; Y36-F62 HydrophobicContact CE1-CE2 3.24Å; Y36-F62 AromaticContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE2-CD2 4.35Å; Y36-F62 HydrophobicContact CE2-CE1 4.44Å; Y36-F62 AromaticContact CE2-CE2 3.51Å; Y36-F62 HydrophobicContact CE2-CE2 3.51Å; Y36-F62 AromaticContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CG-CE2 4.23Å; Y36-F62 AromaticContact CG-CZ 3.83Å; Y36-F62 HydrophobicContact CG-CZ 3.83Å; Y36-F62 AromaticContact CZ-CD2 3.87Å; Y36-F62 AromaticContact CZ-CE2 3.05Å; Y36-F62 AromaticContact CZ-CZ 3.56Å; Y36-F62 VanDerWaalsContact OH-CE2 3.25Å; Y36-F62 WeakPolarHBondContact OH-CE2 3.25Å; S59-F62 WeakPolarHBondContact O-CB 3.44Å; S59-F62 PolarHBondContact O-N 2.93Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.44Å; F62-T64 VanDerWaalsContact C-N 3.28Å; F62-R66 PolarHBondContact O-N 2.95Å |
| 63 | A | 54.1 | Low | 52.9 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.3 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 64 | T | 58.4 | Low | 53.2 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.3 | -21 | -179.8 | 47 | 0 | 0 | 0 | 0 | 114 | D60 A61 F62 | D60-T64 PolarHBondContact O-N 3.02Å; D60-T64 PolarHBondContact O-OG1 3.45Å; A61-T64 PolarHBondContact O-OG1 3.01Å; F62-T64 VanDerWaalsContact C-N 3.28Å |
| 65 | T | 55.7 | Low | 53.5 | Low | 97 Ų | 97 | 116.9 Ų | 116.9 | 60% | 0.595 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -102.4 | 4.1 | 179.2 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | A61 P67 | A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.15Å; T65-P67 VanDerWaalsContact O-CD 3.31Å; T65-P67 WeakPolarHBondContact O-CD 3.37Å |
| 66 | R | 54.9 | Low | 53.7 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | trans | -57.8 | 123.8 | 172.6 | -102.3 | -175.2 | 174.1 | -173.9 | -1.1 | 109.4 | F62 D68 | F62-R66 PolarHBondContact O-N 2.95Å; R66-D68 PolarHBondContact O-N 3.49Å; R66-D68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | P | 59.1 | Low | 53.7 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | trans | -65.3 | 112.6 | 169.6 | -12.5 | 25.7 | 0 | 0 | 0 | 108.4 | T65 K69 | T65-P67 VanDerWaalsContact O-CD 3.31Å; T65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-K69 PolarHBondContact O-N 3.33Å; P67-K69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | D | 60.2 | Low | 54.5 | Low | 164 Ų | 164 | 106.6 Ų | 106.6 | 88% | 0.877 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -62.5 | -15.5 | 177 | -70.6 | -28.5 | 0 | 0 | 0 | 113.1 | R66 | R66-D68 PolarHBondContact O-N 3.49Å; R66-D68 VanDerWaalsContact O-N 3.08Å |
| 69 | K | 55.7 | Low | 55.3 | Low | 175 Ų | 175 | 111.7 Ų | 111.7 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -116.3 | 126.9 | 176.8 | -63.2 | -177.9 | -177.3 | 177.9 | 0 | 108.3 | P67 A71 | P67-K69 PolarHBondContact O-N 3.33Å; P67-K69 VanDerWaalsContact O-N 3.09Å; K69-A71 VanDerWaalsContact C-N 3.32Å; K69-A71 PolarHBondContact O-N 3.03Å |
| 70 | L | 59.3 | Low | 55.9 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | trans | -50 | 98.4 | 165.1 | -69.4 | 161.9 | 0 | 0 | 0 | 107.9 | H72 | L70-H72 PolarHBondContact O-N 3.33Š| ||
| 71 | A | 57.5 | Low | 56.7 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -9.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | K69 | K69-A71 VanDerWaalsContact C-N 3.32Å; K69-A71 PolarHBondContact O-N 3.03Å |
| 72 | H | 49 | Very low | 57.5 | Low | 164 Ų | 164 | 118.3 Ų | 118.3 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 64.5 | -178.2 | -46.2 | -54.9 | 0 | 0 | 0 | 109.1 | L70 G74 | L70-H72 PolarHBondContact O-N 3.33Å; H72-G74 PolarHBondContact O-N 3.24Å |
| 73 | N | 48.6 | Very low | 58.8 | Low | 141 Ų | 141 | 122.1 Ų | 122.1 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | trans | -60.8 | 76.4 | 134 | -73.9 | -14.9 | 0 | 0 | 0 | 105.5 | Y75 | N73-Y75 PolarHBondContact O-N 2.84Š| ||
| 74 | G | 51.9 | Low | 60 | Low | 56 Ų | 56 | 122.5 Ų | 122.5 | 58% | 0.577 | 64% | 0.637 | S | S | * | * | trans | -50.9 | 120 | 175.3 | 0 | 0 | 0 | 0 | 0 | 105 | H72 S76 | H72-G74 PolarHBondContact O-N 3.24Å; G74-S76 PolarHBondContact O-N 3.47Å | ||
| 75 | Y | 53.3 | Low | 60.9 | Low | 172 Ų | 172 | 120 Ų | 120 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | trans | -61.7 | 89.1 | 177.2 | -179.7 | -95.2 | 0 | 0 | 0 | 106.6 | N73 P77 P78 | N73-Y75 PolarHBondContact O-N 2.84Å; Y75-P77 HydrophobicContact CE1-CB 4.42Å; Y75-P77 VanDerWaalsContact O-CD 3.25Å; Y75-P77 WeakPolarHBondContact O-CD 3.48Å; Y75-P77 VanDerWaalsContact O-N 3.15Å; Y75-P78 WeakPolarHBondContact OH-CD 3.43Å | ||
| 76 | S | 53.2 | Low | 62.1 | Low | 103 Ų | 103 | 118.1 Ų | 118.1 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | trans | -58 | 116.5 | 159.6 | -73.3 | 0 | 0 | 0 | 0 | 104.2 | G74 | G74-S76 PolarHBondContact O-N 3.47Š| ||
| 77 | P | 54.5 | Low | 63.6 | Low | 58 Ų | 58 | 115.4 Ų | 115.4 | 38% | 0.377 | 60% | 0.604 | S | S | . | * | trans | -53 | 148.2 | 174.4 | -19.3 | 30.3 | 0 | 0 | 0 | 108.2 | Y75 E79 R81 | Y75-P77 HydrophobicContact CE1-CB 4.42Å; Y75-P77 VanDerWaalsContact O-CD 3.25Å; Y75-P77 WeakPolarHBondContact O-CD 3.48Å; Y75-P77 VanDerWaalsContact O-N 3.15Å; P77-E79 PolarHBondContact O-N 3.28Å; P77-R81 HydrophobicContact CB-CB 4.04Å | ||
| 78 | P | 63.6 | Low | 64.8 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 41% | 0.409 | 61% | 0.605 | S | S | . | * | trans | -44.7 | 134.4 | 171.5 | -25 | 31 | 0 | 0 | 0 | 109.4 | Y75 E80 R81 F82 | Y75-P78 WeakPolarHBondContact OH-CD 3.43Å; P78-E80 PolarHBondContact O-N 3.43Å; P78-R81 WeakPolarHBondContact O-CA 3.35Å; P78-R81 WeakPolarHBondContact O-CB 3.43Å; P78-R81 PolarHBondContact O-N 3.29Å; P78-F82 PolarHBondContact O-N 2.83Å | ||
| 79 | E | 64.9 | Low | 66 | Low | 152 Ų | 152 | 117 Ų | 117 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -43.9 | -42.1 | -170.9 | -168 | 167.8 | -156.9 | 0 | 0 | 112.6 | P77 R81 F82 E83 | P77-E79 PolarHBondContact O-N 3.28Å; E79-R81 PolarHBondContact O-N 2.98Å; E79-F82 WeakPolarHBondContact O-CB 3.47Å; E79-F82 PolarHBondContact O-N 3.28Å; E79-E83 WeakPolarHBondContact O-CG 3.36Å; E79-E83 PolarHBondContact O-N 2.97Å |
| 80 | E | 62.9 | Low | 67.4 | Low | 144 Ų | 144 | 114 Ų | 114 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.1 | -40.5 | 175.9 | -167.9 | 177.6 | -159 | 0 | 0 | 114 | P78 I84 | P78-E80 PolarHBondContact O-N 3.43Å; E80-I84 HydrophobicContact CG-CD1 4.3Å; E80-I84 WeakPolarHBondContact O-CD1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 3.06Å; E80-I84 VanDerWaalsContact O-N 3.08Å |
| 81 | R | 69.9 | Low | 68.8 | Low | 164 Ų | 164 | 110.9 Ų | 110.9 | 62% | 0.619 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.7 | -35.2 | 175.8 | -67.3 | -169.9 | 179.1 | -171.2 | -1.2 | 111.9 | P77 P78 E79 C85 | P77-R81 HydrophobicContact CB-CB 4.04Å; P78-R81 WeakPolarHBondContact O-CA 3.35Å; P78-R81 WeakPolarHBondContact O-CB 3.43Å; P78-R81 PolarHBondContact O-N 3.29Å; E79-R81 PolarHBondContact O-N 2.98Å; R81-C85 VanDerWaalsContact O-CB 3.22Å; R81-C85 WeakPolarHBondContact O-CB 3.47Å; R81-C85 PolarHBondContact O-N 3.3Å |
| 82 | F | 70.8 | Confident | 70.1 | Confident | 122 Ų | 122 | 114.1 Ų | 114.1 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.2 | -45 | 176.5 | 179.4 | -98.8 | 0 | 0 | 0 | 110.6 | P78 E79 C85 N86 | P78-F82 PolarHBondContact O-N 2.83Å; E79-F82 WeakPolarHBondContact O-CB 3.47Å; E79-F82 PolarHBondContact O-N 3.28Å; F82-C85 PolarHBondContact O-N 3.32Å; F82-N86 VanDerWaalsContact O-CB 3.26Å; F82-N86 WeakPolarHBondContact O-CB 3.42Å; F82-N86 PolarHBondContact O-N 2.76Å |
| 83 | E | 77.4 | Confident | 71.8 | Confident | 114 Ų | 114 | 111.3 Ų | 111.3 | 53% | 0.533 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.3 | -47.8 | 176 | -71.7 | 178 | 174.7 | 0 | 0 | 112.2 | E79 C85 N86 Q87 | E79-E83 WeakPolarHBondContact O-CG 3.36Å; E79-E83 PolarHBondContact O-N 2.97Å; E83-C85 VanDerWaalsContact C-N 3.33Å; E83-C85 PolarHBondContact O-N 3.08Å; E83-N86 PolarHBondContact O-N 2.89Å; E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 PolarHBondContact O-N 3.26Å |
| 84 | I | 78.4 | Confident | 73.5 | Confident | 84 Ų | 84 | 109.3 Ų | 109.3 | 43% | 0.431 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.6 | -67.6 | 165.3 | 0 | 0 | 0 | 111 | E80 Q87 R88 | E80-I84 HydrophobicContact CG-CD1 4.3Å; E80-I84 WeakPolarHBondContact O-CD1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 3.06Å; E80-I84 VanDerWaalsContact O-N 3.08Å; I84-Q87 PolarHBondContact O-N 3.49Å; I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 3.21Å |
| 85 | C | 79.1 | Confident | 74.9 | Confident | 62 Ų | 62 | 109.2 Ų | 109.2 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | R81 F82 E83 R88 Q89 | R81-C85 VanDerWaalsContact O-CB 3.22Å; R81-C85 WeakPolarHBondContact O-CB 3.47Å; R81-C85 PolarHBondContact O-N 3.3Å; F82-C85 PolarHBondContact O-N 3.32Å; E83-C85 VanDerWaalsContact C-N 3.33Å; E83-C85 PolarHBondContact O-N 3.08Å; C85-R88 PolarHBondContact O-N 2.88Å; C85-Q89 WeakPolarHBondContact O-CG 3.2Å; C85-Q89 PolarHBondContact O-N 2.91Å |
| 86 | N | 80.4 | Confident | 76.2 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 179.1 | -166.7 | 9.8 | 0 | 0 | 0 | 111.2 | F82 E83 R88 Q89 K90 | F82-N86 VanDerWaalsContact O-CB 3.26Å; F82-N86 WeakPolarHBondContact O-CB 3.42Å; F82-N86 PolarHBondContact O-N 2.76Å; E83-N86 PolarHBondContact O-N 2.89Å; N86-R88 PolarHBondContact O-N 3.43Å; N86-Q89 PolarHBondContact O-N 2.99Å; N86-K90 WeakPolarHBondContact O-CG 3.4Å; N86-K90 PolarHBondContact O-N 3.45Å |
| 87 | Q | 85.5 | Confident | 77.4 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176 | -170.9 | 59.6 | 34.2 | 0 | 0 | 111.5 | E83 I84 Q89 K90 D91 | E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 PolarHBondContact O-N 3.26Å; I84-Q87 PolarHBondContact O-N 3.49Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q87-K90 WeakPolarHBondContact O-CB 3.48Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; Q87-D91 PolarHBondContact NE2-OD1 3.09Å; Q87-D91 VanDerWaalsContact O-CG 3.23Å; Q87-D91 PolarHBondContact O-N 2.97Å |
| 88 | R | 85.7 | Confident | 78.4 | Confident | 181 Ų | 181 | 109.2 Ų | 109.2 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -37.7 | 176 | -72.7 | 175.9 | -180 | -175 | 0.5 | 112.8 | I84 C85 N86 K92 | I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 3.21Å; C85-R88 PolarHBondContact O-N 2.88Å; N86-R88 PolarHBondContact O-N 3.43Å; R88-K92 WeakPolarHBondContact O-CB 3.02Å; R88-K92 PolarHBondContact O-N 2.86Å |
| 89 | Q | 83.5 | Confident | 79.1 | Confident | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -41.3 | 176.2 | -74.5 | 178.1 | -6.4 | 0 | 0 | 111.7 | C85 N86 Q87 K92 L93 | C85-Q89 WeakPolarHBondContact O-CG 3.2Å; C85-Q89 PolarHBondContact O-N 2.91Å; N86-Q89 PolarHBondContact O-N 2.99Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q89-K92 PolarHBondContact O-N 2.91Å; Q89-L93 WeakPolarHBondContact O-CB 3.33Å; Q89-L93 PolarHBondContact O-N 2.69Å |
| 90 | K | 85.3 | Confident | 79.4 | Confident | 112 Ų | 112 | 109 Ų | 109 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.6 | -71 | 174.9 | -176.4 | 178.2 | 0 | 111.7 | N86 Q87 K92 L93 L94 | N86-K90 WeakPolarHBondContact O-CG 3.4Å; N86-K90 PolarHBondContact O-N 3.45Å; Q87-K90 WeakPolarHBondContact O-CB 3.48Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.89Å; K90-L93 WeakPolarHBondContact O-CB 3.43Å; K90-L93 PolarHBondContact O-N 3.02Å; K90-L94 PolarHBondContact O-N 2.78Å |
| 91 | D | 88.6 | Confident | 80 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 178.8 | -63.1 | -18.3 | 0 | 0 | 0 | 111 | Q87 L94 A95 | Q87-D91 PolarHBondContact NE2-OD1 3.09Å; Q87-D91 VanDerWaalsContact O-CG 3.23Å; Q87-D91 PolarHBondContact O-N 2.97Å; D91-L94 PolarHBondContact O-N 3.12Å; D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.47Å |
| 92 | K | 86.5 | Confident | 80.1 | Confident | 144 Ų | 144 | 103.5 Ų | 103.5 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 174.6 | -173.8 | 178.3 | -178.3 | -178.9 | 0 | 112.2 | R88 Q89 K90 L94 A95 N96 | R88-K92 WeakPolarHBondContact O-CB 3.02Å; R88-K92 PolarHBondContact O-N 2.86Å; Q89-K92 PolarHBondContact O-N 2.91Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-A95 PolarHBondContact O-N 3.21Å; K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.92Å; K92-N96 PolarHBondContact O-OD1 2.88Å |
| 93 | L | 84.7 | Confident | 80.3 | Confident | 105 Ų | 105 | 105 Ų | 105 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.4 | 179.4 | 65.1 | 0 | 0 | 0 | 110.9 | Q89 K90 N96 L97 | Q89-L93 WeakPolarHBondContact O-CB 3.33Å; Q89-L93 PolarHBondContact O-N 2.69Å; K90-L93 WeakPolarHBondContact O-CB 3.43Å; K90-L93 PolarHBondContact O-N 3.02Å; L93-N96 PolarHBondContact O-N 3.48Å; L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CG 3.23Å; L93-L97 PolarHBondContact O-N 3.38Å |
| 94 | L | 83.4 | Confident | 80.5 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 179.1 | -173.9 | 64.4 | 0 | 0 | 0 | 111.8 | K90 D91 K92 N96 L97 M98 | K90-L94 PolarHBondContact O-N 2.78Å; D91-L94 PolarHBondContact O-N 3.12Å; K92-L94 VanDerWaalsContact C-N 3.34Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-M98 WeakPolarHBondContact O-CG 3.48Å; L94-M98 PolarHBondContact O-N 2.91Å |
| 95 | A | 82.2 | Confident | 80.5 | Confident | 54 Ų | 54 | 104.2 Ų | 104.2 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D91 K92 L97 M98 E99 | D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.47Å; K92-A95 PolarHBondContact O-N 3.21Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.87Å; A95-M98 PolarHBondContact O-N 3.35Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.62Å |
| 96 | N | 80.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 104 Ų | 104 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.1 | -71.7 | -4.5 | 0 | 0 | 0 | 111.4 | K92 L93 L94 M98 E99 T100 | K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.92Å; K92-N96 PolarHBondContact O-OD1 2.88Å; L93-N96 PolarHBondContact O-N 3.48Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.89Å; N96-M98 VanDerWaalsContact C-N 3.28Å; N96-M98 PolarHBondContact O-N 3.43Å; N96-E99 PolarHBondContact O-N 2.95Å; N96-T100 VanDerWaalsContact O-CB 3.25Å; N96-T100 WeakPolarHBondContact O-CB 3.11Å; N96-T100 PolarHBondContact O-N 3.25Å; N96-T100 PolarHBondContact O-OG1 2.87Å |
| 97 | L | 77.2 | Confident | 80.6 | Confident | 99 Ų | 99 | 105.9 Ų | 105.9 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -32 | 177.8 | -74 | 170.6 | 0 | 0 | 0 | 113 | L93 L94 A95 | L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CG 3.23Å; L93-L97 PolarHBondContact O-N 3.38Å; L94-L97 PolarHBondContact O-N 3.47Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.87Å |
| 98 | M | 76.6 | Confident | 80.6 | Confident | 157 Ų | 157 | 106.1 Ų | 106.1 | 77% | 0.773 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.8 | -35.6 | 175 | -70.8 | -177.9 | 67.6 | 0 | 0 | 112.7 | L94 A95 N96 | L94-M98 WeakPolarHBondContact O-CG 3.48Å; L94-M98 PolarHBondContact O-N 2.91Å; A95-M98 PolarHBondContact O-N 3.35Å; N96-M98 VanDerWaalsContact C-N 3.28Å; N96-M98 PolarHBondContact O-N 3.43Å |
| 99 | E | 78.1 | Confident | 80.7 | Confident | 163 Ų | 163 | 103.2 Ų | 103.2 | 76% | 0.762 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.6 | -33.8 | 178.2 | -173.6 | 173.3 | -163.4 | 0 | 0 | 111.9 | A95 N96 N101 | A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.62Å; N96-E99 PolarHBondContact O-N 2.95Å; E99-N101 PolarHBondContact O-N 3.5Å |
| 100 | T | 71.3 | Confident | 80.8 | Confident | 49 Ų | 49 | 106.1 Ų | 106.1 | 30% | 0.301 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -64.2 | 104.4 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 109 | N96 I102 E105 | N96-T100 VanDerWaalsContact O-CB 3.25Å; N96-T100 WeakPolarHBondContact O-CB 3.11Å; N96-T100 PolarHBondContact O-N 3.25Å; N96-T100 PolarHBondContact O-OG1 2.87Å; T100-I102 VanDerWaalsContact C-N 3.26Å; T100-I102 HydrophobicContact CG2-CG1 4.36Å; T100-I102 PolarHBondContact O-N 3Å; T100-E105 HydrophobicContact CG2-CB 4.2Å; T100-E105 WeakPolarHBondContact CG2-OE2 3.37Å |
| 101 | N | 74.6 | Confident | 81 | Confident | 84 Ų | 84 | 106.8 Ų | 106.8 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | trans | -65.9 | 93.2 | 160.8 | -176.1 | -5.2 | 0 | 0 | 0 | 108 | E99 E103 E104 E105 | E99-N101 PolarHBondContact O-N 3.5Å; N101-E103 PolarHBondContact O-N 2.79Å; N101-E103 VanDerWaalsContact O-N 3.09Å; N101-E103 WeakPolarHBondContact OD1-CB 3.39Å; N101-E103 PolarHBondContact OD1-N 3.33Å; N101-E104 HydrophobicContact CB-CB 3.94Å; N101-E104 PolarHBondContact O-N 3.12Å; N101-E104 PolarHBondContact OD1-N 3.37Å; N101-E105 PolarHBondContact O-N 2.88Å | ||
| 102 | I | 73.3 | Confident | 81.1 | Confident | 108 Ų | 108 | 108.9 Ų | 108.9 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -52 | -36.4 | -177.7 | -63.8 | 173.1 | 0 | 0 | 0 | 110.3 | T100 V106 | T100-I102 VanDerWaalsContact C-N 3.26Å; T100-I102 HydrophobicContact CG2-CG1 4.36Å; T100-I102 PolarHBondContact O-N 3Å; I102-V106 HydrophobicContact CG2-CG2 4.09Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.4Å; I102-V106 PolarHBondContact O-N 3.41Å |
| 103 | E | 74.7 | Confident | 81.3 | Confident | 153 Ų | 153 | 107.3 Ų | 107.3 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -44.9 | 178.8 | -58.9 | -173.3 | 166.9 | 0 | 0 | 111.7 | N101 V106 V107 | N101-E103 PolarHBondContact O-N 2.79Å; N101-E103 VanDerWaalsContact O-N 3.09Å; N101-E103 WeakPolarHBondContact OD1-CB 3.39Å; N101-E103 PolarHBondContact OD1-N 3.33Å; E103-V106 PolarHBondContact O-N 3.09Å; E103-V107 WeakPolarHBondContact O-CB 3.39Å; E103-V107 WeakPolarHBondContact O-CG2 3.3Å; E103-V107 PolarHBondContact O-N 2.73Å |
| 104 | E | 80.6 | Confident | 81.4 | Confident | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 177.3 | -171.1 | 176.7 | 176.3 | 0 | 0 | 111.5 | N101 V106 V107 Q108 | N101-E104 HydrophobicContact CB-CB 3.94Å; N101-E104 PolarHBondContact O-N 3.12Å; N101-E104 PolarHBondContact OD1-N 3.37Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.94Å; E104-V107 PolarHBondContact O-N 3.49Å; E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å |
| 105 | E | 79.6 | Confident | 81.7 | Confident | 73 Ų | 73 | 110.6 Ų | 110.6 | 34% | 0.341 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.1 | -164.8 | -167.5 | 159 | 0 | 0 | 111.2 | T100 N101 Q108 K109 | T100-E105 HydrophobicContact CG2-CB 4.2Å; T100-E105 WeakPolarHBondContact CG2-OE2 3.37Å; N101-E105 PolarHBondContact O-N 2.88Å; E105-Q108 PolarHBondContact O-N 3.19Å; E105-K109 HydrophobicContact CG-CD 4.33Å; E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 WeakPolarHBondContact O-CG 3.34Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.62Å; E105-K109 PolarHBondContact OE1-NZ 3.23Å |
| 106 | V | 79.3 | Confident | 82 | Confident | 58 Ų | 58 | 113.2 Ų | 113.2 | 35% | 0.352 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.1 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | I102 E103 E104 K109 R110 | I102-V106 HydrophobicContact CG2-CG2 4.09Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.4Å; I102-V106 PolarHBondContact O-N 3.41Å; E103-V106 PolarHBondContact O-N 3.09Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.94Å; V106-K109 PolarHBondContact O-N 2.84Å; V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 VanDerWaalsContact O-CB 3.3Å; V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 VanDerWaalsContact O-CG 3.23Å; V106-R110 WeakPolarHBondContact O-CG 3.43Å; V106-R110 PolarHBondContact O-N 2.81Å |
| 107 | V | 82.1 | Confident | 82.2 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 58% | 0.582 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 176 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | E103 E104 R110 H111 | E103-V107 WeakPolarHBondContact O-CB 3.39Å; E103-V107 WeakPolarHBondContact O-CG2 3.3Å; E103-V107 PolarHBondContact O-N 2.73Å; E104-V107 PolarHBondContact O-N 3.49Å; V107-R110 PolarHBondContact O-N 3.22Å; V107-H111 WeakPolarHBondContact O-CB 3.23Å; V107-H111 PolarHBondContact O-N 2.98Å |
| 108 | Q | 85.7 | Confident | 82.5 | Confident | 103 Ų | 103 | 115.2 Ų | 115.2 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.9 | -70.9 | 179.9 | 10.6 | 0 | 0 | 111.6 | E104 E105 R110 H111 Q112 | E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å; E105-Q108 PolarHBondContact O-N 3.19Å; Q108-R110 PolarHBondContact O-N 3.15Å; Q108-H111 WeakPolarHBondContact O-CB 3.31Å; Q108-H111 PolarHBondContact O-N 3.08Å; Q108-Q112 WeakPolarHBondContact O-CG 3.32Å; Q108-Q112 PolarHBondContact O-N 3.44Å |
| 109 | K | 87.4 | Confident | 82.9 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.3 | -78.2 | 179.1 | 169 | 170.1 | 0 | 112.3 | E105 V106 H111 Q112 L113 | E105-K109 HydrophobicContact CG-CD 4.33Å; E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 WeakPolarHBondContact O-CG 3.34Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.62Å; E105-K109 PolarHBondContact OE1-NZ 3.23Å; V106-K109 PolarHBondContact O-N 2.84Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 2.6Å; K109-Q112 PolarHBondContact O-N 2.95Å; K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.06Å |
| 110 | R | 85.1 | Confident | 83.1 | Confident | 181 Ų | 181 | 106 Ų | 106 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 174.1 | -77.1 | 177.8 | -179.3 | -164.4 | 2.7 | 111.7 | V106 V107 Q108 L113 K114 | V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 VanDerWaalsContact O-CB 3.3Å; V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 VanDerWaalsContact O-CG 3.23Å; V106-R110 WeakPolarHBondContact O-CG 3.43Å; V106-R110 PolarHBondContact O-N 2.81Å; V107-R110 PolarHBondContact O-N 3.22Å; Q108-R110 PolarHBondContact O-N 3.15Å; R110-L113 PolarHBondContact O-N 2.86Å; R110-K114 WeakPolarHBondContact O-CB 3.37Å; R110-K114 PolarHBondContact O-N 3.01Å |
| 111 | H | 89.5 | Confident | 83.6 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 176.6 | -175.7 | 86 | 0 | 0 | 0 | 111.8 | V107 Q108 K109 L113 K114 K115 | V107-H111 WeakPolarHBondContact O-CB 3.23Å; V107-H111 PolarHBondContact O-N 2.98Å; Q108-H111 WeakPolarHBondContact O-CB 3.31Å; Q108-H111 PolarHBondContact O-N 3.08Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 2.6Å; H111-L113 PolarHBondContact O-N 3.33Å; H111-K114 PolarHBondContact O-N 2.62Å; H111-K115 PolarHBondContact O-N 3.2Å |
| 112 | Q | 90.8 | Very high | 83.8 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 175.8 | -72.4 | 176.9 | -6.1 | 0 | 0 | 111.8 | Q108 K109 K114 K115 H116 | Q108-Q112 WeakPolarHBondContact O-CG 3.32Å; Q108-Q112 PolarHBondContact O-N 3.44Å; K109-Q112 PolarHBondContact O-N 2.95Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.39Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 2.87Å; Q112-H116 PolarHBondContact O-N 3.47Å |
| 113 | L | 90.3 | Very high | 84 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 175.8 | -176.4 | 63.3 | 0 | 0 | 0 | 111.3 | K109 R110 H111 K115 H116 V117 | K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.06Å; R110-L113 PolarHBondContact O-N 2.86Å; H111-L113 PolarHBondContact O-N 3.33Å; L113-K115 VanDerWaalsContact C-N 3.32Å; L113-K115 PolarHBondContact O-N 3.4Å; L113-H116 PolarHBondContact O-N 3.27Å; L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 HydrophobicContact CG-CG2 4.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.35Å |
| 114 | K | 88.3 | Confident | 84 | Confident | 122 Ų | 122 | 111.7 Ų | 111.7 | 53% | 0.53 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176 | -171 | 176.9 | -175.9 | 176.5 | 0 | 112 | R110 H111 Q112 R118 | R110-K114 WeakPolarHBondContact O-CB 3.37Å; R110-K114 PolarHBondContact O-N 3.01Å; H111-K114 PolarHBondContact O-N 2.62Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.39Å; K114-R118 WeakPolarHBondContact O-CB 3.39Å; K114-R118 VanDerWaalsContact O-CG 3.32Å; K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.49Å |
| 115 | K | 89.3 | Confident | 83.4 | Confident | 152 Ų | 152 | 112.2 Ų | 112.2 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 173.9 | -172.5 | -178.6 | 179.4 | -178.5 | 0 | 111.1 | H111 Q112 L113 R118 A119 | H111-K115 PolarHBondContact O-N 3.2Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 2.87Å; L113-K115 VanDerWaalsContact C-N 3.32Å; L113-K115 PolarHBondContact O-N 3.4Å; K115-R118 PolarHBondContact O-N 3.05Å; K115-A119 PolarHBondContact O-N 3.01Å |
| 116 | H | 88.1 | Confident | 82.7 | Confident | 109 Ų | 109 | 111.7 Ų | 111.7 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.4 | -171.2 | -91.1 | 0 | 0 | 0 | 112.1 | Q112 L113 R118 A119 L120 | Q112-H116 PolarHBondContact O-N 3.47Å; L113-H116 PolarHBondContact O-N 3.27Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 2.88Å; H116-A119 WeakPolarHBondContact O-CB 3.14Å; H116-A119 PolarHBondContact O-N 3.06Å; H116-L120 PolarHBondContact O-N 3.02Å |
| 117 | V | 83.8 | Confident | 81.5 | Confident | 62 Ų | 62 | 112.9 Ų | 112.9 | 38% | 0.376 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.2 | -40.9 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | L113 A119 L120 N121 | L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 HydrophobicContact CG-CG2 4.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.35Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.36Å; V117-L120 PolarHBondContact O-N 2.94Å; V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.49Å; V117-N121 PolarHBondContact O-OD1 2.82Å |
| 118 | R | 84.7 | Confident | 80.1 | Confident | 155 Ų | 155 | 117 Ų | 117 | 59% | 0.585 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 172.8 | -76.6 | 175.8 | 178.9 | -176.4 | -3 | 112.2 | K114 K115 H116 N121 K122 | K114-R118 WeakPolarHBondContact O-CB 3.39Å; K114-R118 VanDerWaalsContact O-CG 3.32Å; K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.49Å; K115-R118 PolarHBondContact O-N 3.05Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 2.88Å; R118-N121 PolarHBondContact O-N 3.37Å; R118-K122 WeakPolarHBondContact O-CB 3.49Å; R118-K122 VanDerWaalsContact O-CG 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.3Å; R118-K122 PolarHBondContact O-N 3.37Å |
| 119 | A | 83.7 | Confident | 78.4 | Confident | 55 Ų | 55 | 115.7 Ų | 115.7 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K115 H116 V117 K122 R123 | K115-A119 PolarHBondContact O-N 3.01Å; H116-A119 WeakPolarHBondContact O-CB 3.14Å; H116-A119 PolarHBondContact O-N 3.06Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.36Å; A119-K122 PolarHBondContact O-N 3.31Å; A119-R123 PolarHBondContact O-N 3.34Å |
| 120 | L | 83 | Confident | 76.4 | Confident | 71 Ų | 71 | 117 Ų | 117 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -48.6 | 173.7 | -70.7 | 179.1 | 0 | 0 | 0 | 111.5 | H116 V117 K122 R123 D124 | H116-L120 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 2.94Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.08Å; L120-R123 CarbonylContact O-C 3.58Å; L120-R123 WeakPolarHBondContact O-CA 3.07Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.21Å; L120-D124 PolarHBondContact O-N 3.44Å |
| 121 | N | 81.9 | Confident | 74.6 | Confident | 82 Ų | 82 | 116.6 Ų | 116.6 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -34.1 | 178.2 | -70.8 | -6.6 | 0 | 0 | 0 | 112.5 | V117 R118 N125 | V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.49Å; V117-N121 PolarHBondContact O-OD1 2.82Å; R118-N121 PolarHBondContact O-N 3.37Å; N121-N125 VanDerWaalsContact O-CB 3.3Å; N121-N125 WeakPolarHBondContact O-CB 2.98Å; N121-N125 PolarHBondContact O-N 2.88Å; N121-N125 PolarHBondContact O-ND2 3.38Å |
| 122 | K | 79.4 | Confident | 72.3 | Confident | 106 Ų | 106 | 120.7 Ų | 120.7 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.2 | -43.3 | 173.2 | -77.7 | -178.9 | 175.4 | -154 | 0 | 111.5 | R118 A119 L120 G126 V127 T129 | R118-K122 WeakPolarHBondContact O-CB 3.49Å; R118-K122 VanDerWaalsContact O-CG 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.3Å; R118-K122 PolarHBondContact O-N 3.37Å; A119-K122 PolarHBondContact O-N 3.31Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.08Å; K122-G126 PolarHBondContact O-N 3.02Å; K122-V127 PolarHBondContact O-N 2.83Å; K122-T129 WeakPolarHBondContact CE-OG1 3.35Å; K122-T129 PolarHBondContact NZ-OG1 3.3Å |
| 123 | R | 76.2 | Confident | 70.1 | Confident | 207 Ų | 207 | 120.3 Ų | 120.3 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62 | -43.2 | 175.7 | 178.9 | -179.3 | 164.3 | 160.5 | -1.9 | 111.6 | A119 L120 G126 | A119-R123 PolarHBondContact O-N 3.34Å; L120-R123 CarbonylContact O-C 3.58Å; L120-R123 WeakPolarHBondContact O-CA 3.07Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.21Å; R123-G126 PolarHBondContact O-N 2.79Å |
| 124 | D | 76 | Confident | 67.7 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 63% | 0.631 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74 | -33.4 | -177.2 | -67.6 | -15.6 | 0 | 0 | 0 | 112.5 | L120 G126 | L120-D124 PolarHBondContact O-N 3.44Å; D124-G126 VanDerWaalsContact C-N 3.33Å |
| 125 | N | 67.5 | Low | 65.6 | Low | 121 Ų | 121 | 120.3 Ų | 120.3 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 2.4 | 177.8 | -67.3 | -57.3 | 0 | 0 | 0 | 113.7 | N121 V127 | N121-N125 VanDerWaalsContact O-CB 3.3Å; N121-N125 WeakPolarHBondContact O-CB 2.98Å; N121-N125 PolarHBondContact O-N 2.88Å; N121-N125 PolarHBondContact O-ND2 3.38Å; N125-V127 HydrophobicContact CB-CG2 4.15Å; N125-V127 PolarHBondContact O-N 3.4Å |
| 126 | G | 63.6 | Low | 63.3 | Low | 62 Ų | 62 | 120.6 Ų | 120.6 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60 | 17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K122 R123 D124 E128 | K122-G126 PolarHBondContact O-N 3.02Å; R123-G126 PolarHBondContact O-N 2.79Å; D124-G126 VanDerWaalsContact C-N 3.33Å; G126-E128 PolarHBondContact O-N 2.78Å |
| 127 | V | 55.4 | Low | 61.1 | Low | 82 Ų | 82 | 124.4 Ų | 124.4 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -82.5 | 90.1 | 178.7 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | K122 N125 T129 | K122-V127 PolarHBondContact O-N 2.83Å; N125-V127 HydrophobicContact CB-CG2 4.15Å; N125-V127 PolarHBondContact O-N 3.4Å; V127-T129 HydrophobicContact CG1-CG2 3.92Å; V127-T129 PolarHBondContact O-N 3.02Å | ||
| 128 | E | 53 | Low | 59.1 | Low | 182 Ų | 182 | 126.8 Ų | 126.8 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | -56.7 | 91.1 | 155.4 | -71 | -164.9 | 168.2 | 0 | 0 | 107.1 | G126 D130 | G126-E128 PolarHBondContact O-N 2.78Å; E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3.22Å | ||
| 129 | T | 49.2 | Very low | 57.3 | Low | 77 Ų | 77 | 124.5 Ų | 124.5 | 47% | 0.472 | 67% | 0.669 | S | S | . | * | trans | -83 | 96.6 | 163 | 18.8 | 0 | 0 | 0 | 0 | 104.8 | K122 V127 E131 | K122-T129 WeakPolarHBondContact CE-OG1 3.35Å; K122-T129 PolarHBondContact NZ-OG1 3.3Å; V127-T129 HydrophobicContact CG1-CG2 3.92Å; V127-T129 PolarHBondContact O-N 3.02Å; T129-E131 PolarHBondContact O-N 3.48Å | ||
| 130 | D | 45.8 | Very low | 55.5 | Low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -37.6 | 130.1 | 157.3 | -89.9 | -32.1 | 0 | 0 | 0 | 109 | E128 R132 | E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3.22Å; D130-R132 PolarHBondContact O-N 3.33Å | ||
| 131 | E | 47.1 | Very low | 53.5 | Low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -42.8 | 128.5 | 177.1 | -73.3 | -172.7 | 126.3 | 0 | 0 | 112 | T129 | T129-E131 PolarHBondContact O-N 3.48Š| ||
| 132 | R | 41.1 | Very low | 51.7 | Low | 212 Ų | 212 | 139.4 Ų | 139.4 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | -139.2 | 95.7 | 143.6 | -73.1 | -161 | 173.4 | -179.8 | -2.4 | 110.1 | D130 D134 | D130-R132 PolarHBondContact O-N 3.33Å; R132-D134 PolarHBondContact O-N 3.22Å | ||
| 133 | T | 44.4 | Very low | 49.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -61.5 | 66.5 | 155.7 | -2.4 | 0 | 0 | 0 | 0 | 108.6 | S135 | T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.39Å | ||
| 134 | D | 40.3 | Very low | 48.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | -76.5 | 91.4 | 171.3 | -71.7 | -23.2 | 0 | 0 | 0 | 107.4 | R132 D136 | R132-D134 PolarHBondContact O-N 3.22Å; D134-D136 PolarHBondContact O-N 2.84Å | ||
| 135 | S | 45.1 | Very low | 46.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -56.6 | 114.9 | 163.7 | -58.4 | 0 | 0 | 0 | 0 | 107.7 | T133 | T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.39Å | ||
| 136 | D | 40.5 | Very low | 45.7 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | -141.7 | 102.3 | 161.9 | -107.9 | -22.7 | 0 | 0 | 0 | 111 | D134 S138 | D134-D136 PolarHBondContact O-N 2.84Å; D136-S138 PolarHBondContact O-N 3.28Å | ||
| 137 | H | 42 | Very low | 45.2 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -53.4 | 122.8 | 160.2 | -68.6 | -78.6 | 0 | 0 | 0 | 109.6 | ||||
| 138 | S | 41.8 | Very low | 44.6 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -144.6 | 82.6 | 154.9 | -156.9 | 0 | 0 | 0 | 0 | 110.8 | D136 | D136-S138 PolarHBondContact O-N 3.28Š| ||
| 139 | S | 47.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -47.7 | 127.6 | 150.4 | 173 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 140 | R | 44 | Very low | 43.9 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -171.1 | 101.8 | 148.5 | -102.6 | 154.9 | 177 | -138.2 | -2.7 | 107.2 | ||||
| 141 | R | 43 | Very low | 43.8 | Very low | 215 Ų | 215 | 148.8 Ų | 148.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 49.5 | 108 | 74.4 | -140 | -164.8 | 175.7 | -163.9 | -2.1 | 106.8 | |||||
| 142 | S | 43.8 | Very low | 43.6 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 56% | 0.559 | 79% | 0.791 | S | S | * | * | 173.8 | 137.1 | 75.4 | -75.8 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 143 | L | 40.3 | Very low | 43.8 | Very low | 149 Ų | 149 | 143 Ų | 143 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | 65.1 | 133.3 | 108.5 | -50.7 | 171.2 | 0 | 0 | 0 | 111.4 | |||||
| 144 | S | 48.3 | Very low | 43.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | 145.5 | 145.9 | 82.6 | 99.1 | 0 | 0 | 0 | 0 | 102.3 | |||||
| 145 | V | 39 | Very low | 44 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | cis | -172.1 | 148 | 12.7 | 129.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 146 | N | 45.5 | Very low | 43.9 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 3.4 | 165.3 | 145.7 | -44.2 | -26.2 | 0 | 0 | 0 | 119.7 | ||||
| 147 | P | 51.5 | Low | 44.2 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 100% | 1.305 | 81% | 0.806 | S | S | * | * | cis | -117.3 | 0 | -3.1 | 31.4 | -13.3 | 0 | 0 | 0 | 114.5 |
Retrieved 147 of 147 residues in 31.9 ms
(Link to these results)