| 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 | 38.4 | Very low | 52.5 | Low | 238 Ų | 238 | 155.8 Ų | 155.8 | 100% | 1.172 | 81% | 0.814 | S | S | * | * | 0 | 124 | 0 | -70.5 | -63.2 | 176.9 | 0 | 0 | 107.8 | |||||
| 2 | P | 47.3 | Very low | 52.6 | Low | 126 Ų | 126 | 157 Ų | 157 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -94.7 | 134 | -157.5 | 35.4 | -28.4 | 0 | 0 | 0 | 111.2 | ||||
| 3 | A | 51.9 | Low | 52.7 | Low | 92 Ų | 92 | 157 Ų | 157 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -165.9 | 149 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | M | 58.4 | Low | 53 | Low | 161 Ų | 161 | 157.6 Ų | 157.6 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 82.9 | 51.1 | 169.1 | -45.3 | -171.7 | 86.1 | 0 | 0 | 116.3 | ||||
| 5 | R | 57.6 | Low | 53.3 | Low | 235 Ų | 235 | 153.8 Ų | 153.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -122.8 | 43.7 | 153.8 | -71.1 | -154.4 | 177 | -158.9 | 1.4 | 112.7 | ||
| 6 | L | 56.3 | Low | 53.7 | Low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -134.5 | 16 | 174.6 | -69.4 | 175.7 | 0 | 0 | 0 | 113.9 | ||
| 7 | F | 57 | Low | 53.9 | Low | 166 Ų | 166 | 149.4 Ų | 149.4 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -110.4 | -3.2 | -176.4 | -89.5 | -82.6 | 0 | 0 | 0 | 118.4 | ||
| 8 | P | 48.6 | Very low | 54.1 | Low | 107 Ų | 107 | 146.5 Ų | 146.5 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -97.1 | 3.1 | 172.8 | 37 | -31.4 | 0 | 0 | 0 | 113.9 | ||
| 9 | C | 54.3 | Low | 54.3 | Low | 108 Ų | 108 | 147.2 Ų | 147.2 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -96.4 | -17.2 | -179.7 | -125.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 10 | F | 53.2 | Low | 54.2 | Low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -87.5 | -13.8 | -179.1 | -100.8 | -85.5 | 0 | 0 | 0 | 114.4 | ||
| 11 | L | 54.3 | Low | 54.1 | Low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -97.9 | 0.7 | 179.4 | -114.9 | 84.3 | 0 | 0 | 0 | 114.8 | ||
| 12 | Q | 54.4 | Low | 55 | Low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -98.2 | 5.2 | 177.9 | -66.7 | -143.8 | -22.3 | 0 | 0 | 114.3 | ||
| 13 | L | 54.1 | Low | 55.3 | Low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -94.8 | 3.5 | 178 | -128.2 | 81.3 | 0 | 0 | 0 | 115 | ||
| 14 | L | 56.8 | Low | 55.1 | Low | 165 Ų | 165 | 137.2 Ų | 137.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -116.9 | 14.9 | -176.4 | -68.4 | 177.3 | 0 | 0 | 0 | 115.1 | ||
| 15 | A | 56.7 | Low | 55 | Low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -114.3 | 34.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | G | 59.6 | Low | 54.6 | Low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -118.3 | 30.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 17 | L | 58.3 | Low | 54 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -150.6 | 73 | 170.2 | -75.1 | 179.2 | 0 | 0 | 0 | 111 | ||||
| 18 | A | 56.3 | Low | 53.5 | Low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -138.7 | 64.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | L | 59.2 | Low | 53.9 | Low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 123.9 | 156.8 | -81.9 | 146.9 | 0 | 0 | 0 | 106.5 | A21 | L19-A21 PolarHBondContact O-N 3.07Š| ||
| 20 | P | 51.1 | Low | 54.1 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -60.2 | 115.9 | 164.1 | 24.6 | -29.4 | 0 | 0 | 0 | 106.7 | V22 | P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.9Å | ||
| 21 | A | 53.2 | Low | 54.3 | Low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -61.1 | 98.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | L19 P23 | L19-A21 PolarHBondContact O-N 3.07Å; A21-P23 WeakPolarHBondContact O-CD 3.35Å | ||
| 22 | V | 57.5 | Low | 54.2 | Low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.6 | 163.3 | 177.5 | 0 | 0 | 0 | 0 | 105 | P20 | P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.9Å |
| 23 | P | 51.7 | Low | 54.9 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.1 | 175.6 | -5.9 | 13.5 | 0 | 0 | 0 | 106.9 | A21 Q25 | A21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-Q25 PolarHBondContact O-N 2.78Å |
| 24 | P | 48.4 | Very low | 55 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.1 | 171.6 | 23 | -29.8 | 0 | 0 | 0 | 106.8 | Q26 | P24-Q26 PolarHBondContact O-N 2.97Š|
| 25 | Q | 56.8 | Low | 55.1 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -63.8 | 87.1 | 164.6 | -70 | -173.5 | -64.1 | 0 | 0 | 106.2 | P23 W27 | P23-Q25 PolarHBondContact O-N 2.78Å; Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 2.76Å | ||
| 26 | Q | 48 | Very low | 55.6 | Low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -69.7 | 90.8 | 172.6 | 48 | -179.5 | 9.1 | 0 | 0 | 107.6 | P24 A28 | P24-Q26 PolarHBondContact O-N 2.97Å; Q26-A28 PolarHBondContact O-N 2.85Å | ||
| 27 | W | 44.8 | Very low | 56.4 | Low | 215 Ų | 215 | 127.1 Ų | 127.1 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -69.9 | 83.1 | 152.8 | 54.7 | -62.7 | 0 | 0 | 0 | 105.5 | Q25 L29 | Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 2.76Å; W27-L29 HydrophobicContact CE3-CD1 3.58Å; W27-L29 HydrophobicContact CE3-CG 3.92Å; W27-L29 HydrophobicContact CZ3-CD1 3.43Å; W27-L29 VanDerWaalsContact CZ3-CD1 3.43Å; W27-L29 HydrophobicContact CZ3-CG 4.27Å; W27-L29 PolarHBondContact O-N 2.86Å | ||
| 28 | A | 46.1 | Very low | 57.6 | Low | 74 Ų | 74 | 125 Ų | 125 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | trans | -68 | 85.4 | 175 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q26 S30 | Q26-A28 PolarHBondContact O-N 2.85Å; A28-S30 PolarHBondContact O-N 2.93Å | ||
| 29 | L | 57.6 | Low | 59.3 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 79.9 | 155.8 | -67.4 | 177.4 | 0 | 0 | 0 | 106.5 | W27 A31 | W27-L29 HydrophobicContact CE3-CD1 3.58Å; W27-L29 HydrophobicContact CE3-CG 3.92Å; W27-L29 HydrophobicContact CZ3-CD1 3.43Å; W27-L29 VanDerWaalsContact CZ3-CD1 3.43Å; W27-L29 HydrophobicContact CZ3-CG 4.27Å; W27-L29 PolarHBondContact O-N 2.86Å; L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å | ||
| 30 | S | 57.6 | Low | 61 | Low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -67.8 | 106.3 | 173.9 | -76 | 0 | 0 | 0 | 0 | 109.3 | A28 G32 | A28-S30 PolarHBondContact O-N 2.93Å; S30-G32 PolarHBondContact O-N 2.86Å | ||
| 31 | A | 58.8 | Low | 63.2 | Low | 110 Ų | 110 | 125 Ų | 125 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 101.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | L29 | L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å | ||
| 32 | G | 50.6 | Low | 65.3 | Low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -143.4 | 115.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S30 | S30-G32 PolarHBondContact O-N 2.86Š| ||
| 33 | N | 70.4 | Confident | 67.2 | Low | 179 Ų | 179 | 124.8 Ų | 124.8 | 96% | 0.957 | 73% | 0.73 | S | S | * | * | trans | -72.2 | 133 | 170.5 | -175.5 | 29.3 | 0 | 0 | 0 | 109.9 | ||||
| 34 | G | 55.3 | Low | 69.4 | Low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 133.5 | 107.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 35 | S | 60.1 | Low | 71.7 | Confident | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | 24 | 94.6 | 170.5 | -168.9 | 0 | 0 | 0 | 0 | 114.8 | E37 | S35-E37 PolarHBondContact O-N 2.78Š| ||
| 36 | S | 66.5 | Low | 73.7 | Confident | 117 Ų | 117 | 119.6 Ų | 119.6 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -68.1 | 76.4 | 172 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | V38 | S36-V38 PolarHBondContact O-N 3.04Å; S36-V38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | E | 75.2 | Confident | 76 | Confident | 173 Ų | 173 | 116.4 Ų | 116.4 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 118 | 159.4 | -78 | -165 | 142 | 0 | 0 | 106.3 | S35 E39 | S35-E37 PolarHBondContact O-N 2.78Å; E37-E39 PolarHBondContact O-N 2.53Å; E37-E39 VanDerWaalsContact O-N 3.17Å |
| 38 | V | 85.4 | Confident | 78.5 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 76% | 0.758 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.7 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | S36 V40 | S36-V38 PolarHBondContact O-N 3.04Å; S36-V38 VanDerWaalsContact O-N 3.14Å; V38-V40 PolarHBondContact O-N 3.11Å |
| 39 | E | 91.1 | Very high | 81 | Confident | 178 Ų | 178 | 111.7 Ų | 111.7 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.4 | 174.7 | -172.2 | -177.7 | 169.4 | 0 | 0 | 109.6 | E37 | E37-E39 PolarHBondContact O-N 2.53Å; E37-E39 VanDerWaalsContact O-N 3.17Å |
| 40 | V | 94.9 | Very high | 82.9 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 116.7 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | V38 P42 | V38-V40 PolarHBondContact O-N 3.11Å; V40-P42 WeakPolarHBondContact O-CD 3.33Å |
| 41 | V | 96.4 | Very high | 84.8 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 38% | 0.382 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 123.6 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | E45 V46 | V41-E45 HydrophobicContact CG1-CB 3.91Å; V41-E45 HydrophobicContact CG1-CG 3.75Å; V41-V46 HydrophobicContact CB-CG2 4.14Å; V41-V46 HydrophobicContact CG1-CG2 3.84Å |
| 42 | P | 97.9 | Very high | 86.7 | Confident | 77 Ų | 77 | 102 Ų | 102 | 50% | 0.5 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 148.9 | -178.2 | -24.4 | 34.3 | 0 | 0 | 0 | 113.4 | V40 Q44 E45 V46 | V40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-Q44 VanDerWaalsContact C-N 3.32Å; P42-Q44 PolarHBondContact O-N 3.3Å; P42-E45 WeakPolarHBondContact O-CB 3.37Å; P42-E45 PolarHBondContact O-N 3.47Å; P42-V46 PolarHBondContact O-N 3.27Å; P42-V46 VanDerWaalsContact O-N 3.08Å |
| 43 | F | 97.4 | Very high | 89 | Confident | 138 Ų | 138 | 103.9 Ų | 103.9 | 61% | 0.605 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -52.2 | -44.7 | -178.4 | 169.2 | -98.7 | 0 | 0 | 0 | 113.8 | E45 V46 W47 | F43-E45 PolarHBondContact O-N 3.44Å; F43-V46 PolarHBondContact O-N 2.7Å; F43-W47 HydrophobicContact CE1-CB 4.47Å; F43-W47 HydrophobicContact CZ-CB 4.35Å; F43-W47 HydrophobicContact CZ-CD2 4.49Å; F43-W47 HydrophobicContact CZ-CE3 4.07Å; F43-W47 WeakPolarHBondContact O-CB 3.36Å; F43-W47 PolarHBondContact O-N 2.94Å |
| 44 | Q | 97.9 | Very high | 90.3 | Very high | 139 Ų | 139 | 96.7 Ų | 96.7 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -33.8 | -178.9 | -67.8 | -62.2 | -33.5 | 0 | 0 | 112.2 | P42 G48 | P42-Q44 VanDerWaalsContact C-N 3.32Å; P42-Q44 PolarHBondContact O-N 3.3Å; Q44-G48 PolarHBondContact O-N 2.89Å |
| 45 | E | 97.6 | Very high | 92.4 | Very high | 72 Ų | 72 | 96.8 Ų | 96.8 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.9 | -42.6 | 176.7 | -176.9 | 177 | 154.1 | 0 | 0 | 111.2 | V41 P42 F43 W47 G48 R49 | V41-E45 HydrophobicContact CG1-CB 3.91Å; V41-E45 HydrophobicContact CG1-CG 3.75Å; P42-E45 WeakPolarHBondContact O-CB 3.37Å; P42-E45 PolarHBondContact O-N 3.47Å; F43-E45 PolarHBondContact O-N 3.44Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-W47 PolarHBondContact O-N 3.08Å; E45-G48 PolarHBondContact O-N 3.02Å; E45-R49 HydrophobicContact CG-CG 4.44Å; E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.36Å; E45-R49 VanDerWaalsContact O-CG 3.25Å; E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 2.92Å; E45-R49 IonicContact OE1-CZ 2.84Å; E45-R49 IonicContact OE1-NE 3.18Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH1 3.26Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 VanDerWaalsContact OE1-NH1 3.12Å; E45-R49 IonicContact OE1-NH2 2.69Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å |
| 46 | V | 98 | Very high | 94.2 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.4 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | V41 P42 F43 S50 | V41-V46 HydrophobicContact CB-CG2 4.14Å; V41-V46 HydrophobicContact CG1-CG2 3.84Å; P42-V46 PolarHBondContact O-N 3.27Å; P42-V46 VanDerWaalsContact O-N 3.08Å; F43-V46 PolarHBondContact O-N 2.7Å; V46-S50 WeakPolarHBondContact O-CB 3.34Å; V46-S50 PolarHBondContact O-N 2.8Å; V46-S50 VanDerWaalsContact O-N 3.07Å; V46-S50 PolarHBondContact O-OG 3.23Å |
| 47 | W | 97.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 39% | 0.386 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 177.3 | -179.6 | -91 | 0 | 0 | 0 | 111.4 | F43 E45 R49 S50 Y51 | F43-W47 HydrophobicContact CE1-CB 4.47Å; F43-W47 HydrophobicContact CZ-CB 4.35Å; F43-W47 HydrophobicContact CZ-CD2 4.49Å; F43-W47 HydrophobicContact CZ-CE3 4.07Å; F43-W47 WeakPolarHBondContact O-CB 3.36Å; F43-W47 PolarHBondContact O-N 2.94Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-W47 PolarHBondContact O-N 3.08Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.4Å; W47-S50 PolarHBondContact O-N 2.88Å; W47-S50 PolarHBondContact O-OG 2.65Å; W47-Y51 HydrophobicContact CZ2-CD2 4.44Å; W47-Y51 WeakPolarHBondContact O-CB 3.42Å; W47-Y51 PolarHBondContact O-N 3.46Å |
| 48 | G | 97.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q44 E45 | Q44-G48 PolarHBondContact O-N 2.89Å; E45-G48 PolarHBondContact O-N 3.02Å |
| 49 | R | 97.2 | Very high | 97.3 | Very high | 149 Ų | 149 | 92.6 Ų | 92.6 | 56% | 0.562 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.6 | -31.2 | 177.2 | -73.7 | 178.8 | 174.9 | 179.4 | 4.1 | 113.4 | E45 W47 R53 | E45-R49 HydrophobicContact CG-CG 4.44Å; E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.36Å; E45-R49 VanDerWaalsContact O-CG 3.25Å; E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 2.92Å; E45-R49 IonicContact OE1-CZ 2.84Å; E45-R49 IonicContact OE1-NE 3.18Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH1 3.26Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 VanDerWaalsContact OE1-NH1 3.12Å; E45-R49 IonicContact OE1-NH2 2.69Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.4Å; R49-R53 PolarHBondContact O-NE 3.35Å; R49-R53 PolarHBondContact O-NH2 2.94Å |
| 50 | S | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 87.2 Ų | 87.2 | 31% | 0.308 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -93.6 | -11.5 | -178.4 | 59 | 0 | 0 | 0 | 0 | 113.9 | V46 W47 G85 C86 | V46-S50 WeakPolarHBondContact O-CB 3.34Å; V46-S50 PolarHBondContact O-N 2.8Å; V46-S50 VanDerWaalsContact O-N 3.07Å; V46-S50 PolarHBondContact O-OG 3.23Å; W47-S50 PolarHBondContact O-N 2.88Å; W47-S50 PolarHBondContact O-OG 2.65Å; S50-G85 CarbonylContact O-C 3.57Å; S50-G85 WeakPolarHBondContact O-CA 3.37Å; S50-C86 PolarHBondContact O-N 3.47Å |
| 51 | Y | 98.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 81.3 Ų | 81.3 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 146.5 | 178.3 | -168.4 | -101.5 | 0 | 0 | 0 | 112.6 | W47 R53 | W47-Y51 HydrophobicContact CZ2-CD2 4.44Å; W47-Y51 WeakPolarHBondContact O-CB 3.42Å; W47-Y51 PolarHBondContact O-N 3.46Å; Y51-R53 WeakPolarHBondContact O-CG 3.35Å; Y51-R53 PolarHBondContact O-N 3.1Å; Y51-R53 VanDerWaalsContact O-N 3.16Å |
| 52 | C | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 80.6 Ų | 80.6 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -45.3 | 114.5 | -177.9 | 177 | 0 | 0 | 0 | 0 | 113.7 | T84 C86 C94 C130 | C52-T84 WeakPolarHBondContact CA-O 3.35Å; C52-C86 PolarHBondContact N-O 3.29Å; C52-C86 VanDerWaalsContact N-O 3.09Å; C52-C94 WeakPolarHBondContact CA-SG 3.43Å; C52-C94 HydrophobicContact CB-CB 3.68Å; C52-C94 WeakPolarHBondContact CB-SG 3.42Å; C52-C94 WeakPolarHBondContact SG-CA 3.5Å; C52-C94 WeakPolarHBondContact SG-CB 3.36Å; C52-C94 CovalentContact SG-SG 2.03Å; C52-C94 PolarHBondContact SG-SG 3.46Å; C52-C130 WeakPolarHBondContact CB-SG 3.14Å |
| 53 | R | 98.3 | Very high | 97.3 | Very high | 107 Ų | 107 | 81.2 Ų | 81.2 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 167.3 | 177 | 65.1 | -166.3 | 173.7 | 151.3 | 2.5 | 111.8 | R49 Y51 L55 T84 C128 | R49-R53 PolarHBondContact O-NE 3.35Å; R49-R53 PolarHBondContact O-NH2 2.94Å; Y51-R53 WeakPolarHBondContact O-CG 3.35Å; Y51-R53 PolarHBondContact O-N 3.1Å; Y51-R53 VanDerWaalsContact O-N 3.16Å; R53-L55 HydrophobicContact CG-CD1 4.31Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 HydrophobicContact CG-CG 3.9Å; R53-L55 PolarHBondContact O-N 3.38Å; R53-T84 PolarHBondContact N-O 3.49Å; R53-T84 PolarHBondContact O-N 2.84Å; R53-T84 VanDerWaalsContact O-O 3.13Å; R53-C128 VanDerWaalsContact C-SG 3.55Å |
| 54 | A | 98.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 77.9 Ų | 77.9 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 120.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109 | L81 H125 C128 | A54-L81 HydrophobicContact CB-CB 4.45Å; A54-H125 VanDerWaalsContact CB-O 3.24Å; A54-H125 WeakPolarHBondContact CB-O 2.91Å; A54-C128 PolarHBondContact N-SG 2.97Å; A54-C128 VanDerWaalsContact N-SG 3.37Å |
| 55 | L | 98.2 | Very high | 97 | Very high | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.1 | 174 | -69.3 | 177.5 | 0 | 0 | 0 | 110.3 | R53 R57 L81 R82 T84 | R53-L55 HydrophobicContact CG-CD1 4.31Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 HydrophobicContact CG-CG 3.9Å; R53-L55 PolarHBondContact O-N 3.38Å; L55-R57 PolarHBondContact O-N 2.72Å; L55-L81 WeakPolarHBondContact O-CA 3.03Å; L55-R82 PolarHBondContact N-O 3.08Å; L55-R82 PolarHBondContact O-N 2.91Å; L55-T84 HydrophobicContact CB-CG2 3.78Å; L55-T84 HydrophobicContact CD1-CG2 3.67Å; L55-T84 HydrophobicContact CG-CG2 4.02Å |
| 56 | E | 98.1 | Very high | 96.7 | Very high | 146 Ų | 146 | 75 Ų | 75 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 128.2 | 174.4 | -171.8 | 173.4 | -173.1 | 0 | 0 | 110.1 | S79 | E56-S79 WeakPolarHBondContact CG-OG 3.31Å; E56-S79 VanDerWaalsContact OE1-CB 3.27Å; E56-S79 WeakPolarHBondContact OE1-CB 3.1Å; E56-S79 PolarHBondContact OE1-OG 2.83Å |
| 57 | R | 97.8 | Very high | 96.3 | Very high | 158 Ų | 158 | 76 Ų | 76 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.4 | 178.5 | -174.5 | -179.8 | 179 | 108.2 | 0.6 | 109.4 | L55 V59 L80 R82 | L55-R57 PolarHBondContact O-N 2.72Å; R57-V59 PolarHBondContact O-N 3.08Å; R57-L80 PolarHBondContact N-O 3.47Å; R57-L80 PolarHBondContact O-N 2.93Å; R57-R82 HydrophobicContact CB-CB 4.44Å |
| 58 | L | 98.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 73.4 Ų | 73.4 | 60% | 0.602 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.2 | 169.2 | -61.7 | 178.3 | 0 | 0 | 0 | 109.8 | V78 | L58-V78 WeakPolarHBondContact CA-O 3.04Å |
| 59 | V | 97.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 76 Ų | 76 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.5 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | R57 E64 C77 V78 L80 R82 | R57-V59 PolarHBondContact O-N 3.08Å; V59-E64 HydrophobicContact CG1-CG 3.54Å; V59-E64 WeakPolarHBondContact CG1-OE1 3.34Å; V59-C77 CarbonylContact O-C 3.24Å; V59-C77 WeakPolarHBondContact O-CA 3.43Å; V59-C77 VanDerWaalsContact O-CB 3.31Å; V59-C77 WeakPolarHBondContact O-CB 3.3Å; V59-V78 PolarHBondContact N-O 2.98Å; V59-V78 PolarHBondContact O-N 3.28Å; V59-L80 HydrophobicContact CB-CD1 4.21Å; V59-L80 HydrophobicContact CG2-CB 4.4Å; V59-L80 HydrophobicContact CG2-CD1 4.24Å; V59-R82 HydrophobicContact CG2-CG 4.21Å |
| 60 | D | 96.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 135.3 | 174.6 | 171.2 | 65.5 | 0 | 0 | 0 | 110.8 | V62 S63 E64 | D60-V62 PolarHBondContact OD2-N 3.34Å; D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact OD2-N 3.27Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; D60-E64 PolarHBondContact O-N 2.78Å |
| 61 | I | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -172.9 | -64.4 | 153.8 | 0 | 0 | 0 | 111.2 | S63 E64 Y65 F73 P75 S76 V78 L106 L120 F122 | I61-S63 PolarHBondContact O-N 3.13Å; I61-E64 PolarHBondContact O-N 3.44Å; I61-E64 VanDerWaalsContact O-N 3.1Å; I61-Y65 HydrophobicContact CG2-CD2 4.49Å; I61-Y65 PolarHBondContact O-N 2.86Å; I61-F73 HydrophobicContact CB-CD2 4.15Å; I61-F73 HydrophobicContact CB-CG 4.47Å; I61-F73 HydrophobicContact CD1-CB 3.5Å; I61-F73 HydrophobicContact CD1-CG 4.1Å; I61-F73 HydrophobicContact CG2-CB 4.49Å; I61-F73 HydrophobicContact CG2-CD1 4.45Å; I61-F73 HydrophobicContact CG2-CD2 3.57Å; I61-F73 HydrophobicContact CG2-CE2 3.81Å; I61-F73 HydrophobicContact CG2-CG 3.92Å; I61-F73 HydrophobicContact CG2-CZ 4.35Å; I61-P75 WeakPolarHBondContact CD1-O 3.41Å; I61-S76 VanDerWaalsContact CD1-C 3.48Å; I61-S76 WeakPolarHBondContact CD1-O 3.48Å; I61-S76 WeakPolarHBondContact CG1-O 3.27Å; I61-S76 PolarHBondContact N-O 3.09Å; I61-S76 VanDerWaalsContact N-O 3.09Å; I61-V78 HydrophobicContact CD1-CG1 4.26Å; I61-V78 HydrophobicContact CG1-CG1 4.18Å; I61-V78 HydrophobicContact CG1-CG2 4.42Å; I61-L106 HydrophobicContact CD1-CD2 3.08Å; I61-L106 HydrophobicContact CG1-CD2 3.91Å; I61-L120 HydrophobicContact CG2-CD1 3.88Å; I61-F122 HydrophobicContact CG1-CE1 4.5Å; I61-F122 HydrophobicContact CG1-CZ 4.28Å; I61-F122 HydrophobicContact CG2-CZ 4.42Å |
| 62 | V | 93.3 | Very high | 93.5 | Very high | 48 Ų | 48 | 77.1 Ų | 77.1 | 29% | 0.291 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -31.6 | -178.5 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | D60 E64 Y65 P66 V69 | D60-V62 PolarHBondContact OD2-N 3.34Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-Y65 CarbonylContact O-C 3.15Å; V62-Y65 VanDerWaalsContact O-C 3.22Å; V62-Y65 PolarHBondContact O-N 3.35Å; V62-P66 WeakPolarHBondContact O-CA 3.39Å; V62-V69 HydrophobicContact CG1-CB 4.33Å; V62-V69 HydrophobicContact CG1-CG1 3.5Å; V62-V69 VanDerWaalsContact CG1-CG1 3.5Å |
| 63 | S | 93.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 77.5 Ų | 77.5 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | D60 I61 | D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact OD2-N 3.27Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; I61-S63 PolarHBondContact O-N 3.13Å |
| 64 | E | 95.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 75.4 Ų | 75.4 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -83.1 | -31.2 | 176.5 | -65.6 | -72.7 | 138.7 | 0 | 0 | 112.3 | V59 D60 I61 V62 P66 R82 F122 | V59-E64 HydrophobicContact CG1-CG 3.54Å; V59-E64 WeakPolarHBondContact CG1-OE1 3.34Å; D60-E64 PolarHBondContact O-N 2.78Å; I61-E64 PolarHBondContact O-N 3.44Å; I61-E64 VanDerWaalsContact O-N 3.1Å; V62-E64 VanDerWaalsContact C-N 3.34Å; E64-P66 VanDerWaalsContact C-CD 3.44Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å; E64-R82 IonicContact OE1-CZ 3.46Å; E64-R82 VanDerWaalsContact OE1-CZ 3.26Å; E64-R82 IonicContact OE1-NH1 2.78Å; E64-R82 PolarHBondContact OE1-NH1 3.41Å; E64-R82 IonicContact OE1-NH2 3.43Å; E64-R82 PolarHBondContact OE1-NH2 2.96Å; E64-R82 IonicContact OE2-CZ 3.71Å; E64-R82 IonicContact OE2-NH2 3.27Å; E64-R82 PolarHBondContact OE2-NH2 3.31Å; E64-F122 HydrophobicContact CB-CD1 4.33Å; E64-F122 HydrophobicContact CB-CE1 4.28Å; E64-F122 HydrophobicContact CG-CD1 4.31Å; E64-F122 HydrophobicContact CG-CE1 4.49Å |
| 65 | Y | 94.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 77.3 Ų | 77.3 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | trans | -121.9 | 70 | -178.5 | -73.2 | -91.9 | 0 | 0 | 0 | 111.3 | I61 V62 S67 E68 L120 T121 F122 | I61-Y65 HydrophobicContact CG2-CD2 4.49Å; I61-Y65 PolarHBondContact O-N 2.86Å; V62-Y65 CarbonylContact O-C 3.15Å; V62-Y65 VanDerWaalsContact O-C 3.22Å; V62-Y65 PolarHBondContact O-N 3.35Å; Y65-S67 PolarHBondContact O-N 2.96Å; Y65-S67 VanDerWaalsContact O-N 3.08Å; Y65-E68 PolarHBondContact O-N 2.84Å; Y65-L120 HydrophobicContact CD2-CD1 4.49Å; Y65-L120 HydrophobicContact CE1-CD2 4.44Å; Y65-L120 HydrophobicContact CE2-CB 4.32Å; Y65-T121 PolarHBondContact OH-N 3.09Å; Y65-T121 VanDerWaalsContact OH-N 3.11Å; Y65-T121 PolarHBondContact OH-O 2.88Å; Y65-F122 HydrophobicContact CD2-CE1 4.02Å; Y65-F122 AromaticContact CE2-CD1 3.99Å; Y65-F122 HydrophobicContact CE2-CD1 3.99Å; Y65-F122 AromaticContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CZ 4.1Å | ||
| 66 | P | 91.3 | Very high | 93.2 | Very high | 91 Ų | 91 | 77.9 Ų | 77.9 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -65.5 | -15.3 | -176.5 | 26.6 | -35.6 | 0 | 0 | 0 | 113.6 | V62 E64 E68 V69 | V62-P66 WeakPolarHBondContact O-CA 3.39Å; E64-P66 VanDerWaalsContact C-CD 3.44Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-E68 VanDerWaalsContact C-N 3.27Å; P66-V69 WeakPolarHBondContact O-CG1 3.16Å |
| 67 | S | 88.6 | Confident | 93.1 | Very high | 97 Ų | 97 | 73 Ų | 73 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -74.3 | -16.2 | 172.2 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | Y65 | Y65-S67 PolarHBondContact O-N 2.96Å; Y65-S67 VanDerWaalsContact O-N 3.08Å |
| 68 | E | 84.4 | Confident | 93.2 | Very high | 49 Ų | 49 | 66 Ų | 66 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -100.9 | 17.4 | -175.2 | -64.4 | -68.1 | 159 | 0 | 0 | 112.9 | Y65 P66 E70 H71 F73 K108 | Y65-E68 PolarHBondContact O-N 2.84Å; P66-E68 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 2.69Å; E68-E70 VanDerWaalsContact O-N 3.08Å; E68-H71 PolarHBondContact O-N 2.97Å; E68-H71 PolarHBondContact O-ND1 3.32Å; E68-H71 IonicContact OE2-CE1 2.7Å; E68-H71 PolarHBondContact OE2-CE1 2.84Å; E68-H71 VanDerWaalsContact OE2-CE1 3.3Å; E68-H71 IonicContact OE2-CG 2.89Å; E68-H71 IonicContact OE2-ND1 3.3Å; E68-H71 PolarHBondContact OE2-ND1 3.03Å; E68-F73 HydrophobicContact CB-CE2 3.96Å; E68-F73 HydrophobicContact CB-CZ 3.88Å; E68-F73 HydrophobicContact CG-CZ 4.34Å; E68-K108 IonicContact OE1-NZ 2.84Å; E68-K108 WeakPolarHBondContact OE2-CE 3.4Å; E68-K108 IonicContact OE2-NZ 3.96Å; E68-K108 PolarHBondContact OE2-NZ 2.02Å |
| 69 | V | 80.9 | Confident | 93.2 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22 | -175.6 | -71.4 | 0 | 0 | 0 | 0 | 115.2 | V62 P66 H71 | V62-V69 HydrophobicContact CG1-CB 4.33Å; V62-V69 HydrophobicContact CG1-CG1 3.5Å; V62-V69 VanDerWaalsContact CG1-CG1 3.5Å; P66-V69 WeakPolarHBondContact O-CG1 3.16Å; V69-H71 PolarHBondContact O-N 2.03Å |
| 70 | E | 83.4 | Confident | 93.2 | Very high | 147 Ų | 147 | 61.7 Ų | 61.7 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.9 | 176.1 | -65.4 | -173.9 | 177.5 | 0 | 0 | 113.1 | E68 | E68-E70 PolarHBondContact O-N 2.69Å; E68-E70 VanDerWaalsContact O-N 3.08Å |
| 71 | H | 86.4 | Confident | 93.3 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -111 | 144.7 | -172.9 | -51.6 | 101.6 | 0 | 0 | 0 | 111.6 | E68 V69 F73 K108 | E68-H71 PolarHBondContact O-N 2.97Å; E68-H71 PolarHBondContact O-ND1 3.32Å; E68-H71 IonicContact OE2-CE1 2.7Å; E68-H71 PolarHBondContact OE2-CE1 2.84Å; E68-H71 VanDerWaalsContact OE2-CE1 3.3Å; E68-H71 IonicContact OE2-CG 2.89Å; E68-H71 IonicContact OE2-ND1 3.3Å; E68-H71 PolarHBondContact OE2-ND1 3.03Å; V69-H71 PolarHBondContact O-N 2.03Å; H71-F73 HydrophobicContact CB-CE2 4.28Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; H71-K108 HydrophobicContact CB-CG 4.15Å; H71-K108 WeakPolarHBondContact CD2-CE 3.47Å; H71-K108 PolarHBondContact CE1-NZ 3.49Å; H71-K108 WeakPolarHBondContact ND1-CE 3.46Å; H71-K108 WeakPolarHBondContact NE2-CE 3.27Å |
| 72 | M | 93.1 | Very high | 93.4 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 69% | 0.69 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 141.2 | 167.5 | -64.4 | -178.8 | 178.2 | 0 | 0 | 109.1 | I109 | M72-I109 HydrophobicContact CB-CB 4.29Å; M72-I109 PolarHBondContact N-O 2.85Å; M72-I109 PolarHBondContact O-N 2.87Å |
| 73 | F | 96.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 62 Ų | 62 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.3 | 176 | -64 | -81.9 | 0 | 0 | 0 | 110.5 | I61 E68 H71 P75 S76 L106 L107 K108 V118 L120 | I61-F73 HydrophobicContact CB-CD2 4.15Å; I61-F73 HydrophobicContact CB-CG 4.47Å; I61-F73 HydrophobicContact CD1-CB 3.5Å; I61-F73 HydrophobicContact CD1-CG 4.1Å; I61-F73 HydrophobicContact CG2-CB 4.49Å; I61-F73 HydrophobicContact CG2-CD1 4.45Å; I61-F73 HydrophobicContact CG2-CD2 3.57Å; I61-F73 HydrophobicContact CG2-CE2 3.81Å; I61-F73 HydrophobicContact CG2-CG 3.92Å; I61-F73 HydrophobicContact CG2-CZ 4.35Å; E68-F73 HydrophobicContact CB-CE2 3.96Å; E68-F73 HydrophobicContact CB-CZ 3.88Å; E68-F73 HydrophobicContact CG-CZ 4.34Å; H71-F73 HydrophobicContact CB-CE2 4.28Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; F73-P75 CarbonylContact C-O 3.59Å; F73-P75 WeakPolarHBondContact CB-O 3.48Å; F73-P75 CarbonylContact O-C 3.44Å; F73-P75 VanDerWaalsContact O-C 3.24Å; F73-S76 WeakPolarHBondContact O-CA 3.24Å; F73-S76 PolarHBondContact O-N 2.91Å; F73-L106 HydrophobicContact CB-CD2 4.35Å; F73-L107 CarbonylContact C-O 3.58Å; F73-L107 WeakPolarHBondContact CA-O 3.09Å; F73-K108 HydrophobicContact CD1-CB 4.38Å; F73-K108 HydrophobicContact CE1-CB 4.2Å; F73-K108 HydrophobicContact CE1-CD 4.29Å; F73-K108 HydrophobicContact CE1-CG 4.02Å; F73-V118 HydrophobicContact CE1-CG2 4.22Å; F73-L120 HydrophobicContact CD1-CD1 4.26Å; F73-L120 HydrophobicContact CE1-CD1 3.81Å; F73-L120 HydrophobicContact CZ-CD1 4.16Å |
| 74 | S | 96.5 | Very high | 93.8 | Very high | 63 Ų | 63 | 60.5 Ų | 60.5 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.7 | 168.1 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | L107 | S74-L107 PolarHBondContact N-O 3.45Å; S74-L107 PolarHBondContact O-N 3.35Å |
| 75 | P | 97.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 59 Ų | 59 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | S | Bend | cis | -63.6 | 163.6 | -7.3 | 32.1 | -37.4 | 0 | 0 | 0 | 112.1 | I61 F73 C77 | I61-P75 WeakPolarHBondContact CD1-O 3.41Å; F73-P75 CarbonylContact C-O 3.59Å; F73-P75 WeakPolarHBondContact CB-O 3.48Å; F73-P75 CarbonylContact O-C 3.44Å; F73-P75 VanDerWaalsContact O-C 3.24Å; P75-C77 WeakPolarHBondContact CB-O 3.38Å; P75-C77 WeakPolarHBondContact CG-O 3.41Å |
| 76 | S | 96.5 | Very high | 94 | Very high | 76 Ų | 76 | 59.1 Ų | 59.1 | 53% | 0.531 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.6 | -17.5 | 176.7 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | I61 F73 | I61-S76 VanDerWaalsContact CD1-C 3.48Å; I61-S76 WeakPolarHBondContact CD1-O 3.48Å; I61-S76 WeakPolarHBondContact CG1-O 3.27Å; I61-S76 PolarHBondContact N-O 3.09Å; I61-S76 VanDerWaalsContact N-O 3.09Å; F73-S76 WeakPolarHBondContact O-CA 3.24Å; F73-S76 PolarHBondContact O-N 2.91Å |
| 77 | C | 97.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.4 | 173.3 | 63 | 0 | 0 | 0 | 0 | 110.5 | V59 P75 | V59-C77 CarbonylContact O-C 3.24Å; V59-C77 WeakPolarHBondContact O-CA 3.43Å; V59-C77 VanDerWaalsContact O-CB 3.31Å; V59-C77 WeakPolarHBondContact O-CB 3.3Å; P75-C77 WeakPolarHBondContact CB-O 3.38Å; P75-C77 WeakPolarHBondContact CG-O 3.41Å |
| 78 | V | 98.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.8 | 177.6 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | L58 V59 I61 L80 M104 L106 F122 | L58-V78 WeakPolarHBondContact CA-O 3.04Å; V59-V78 PolarHBondContact N-O 2.98Å; V59-V78 PolarHBondContact O-N 3.28Å; I61-V78 HydrophobicContact CD1-CG1 4.26Å; I61-V78 HydrophobicContact CG1-CG1 4.18Å; I61-V78 HydrophobicContact CG1-CG2 4.42Å; V78-L80 HydrophobicContact CG2-CD1 4.03Å; V78-L80 HydrophobicContact CG2-CG 4.08Å; V78-M104 HydrophobicContact CB-SD 3.79Å; V78-M104 HydrophobicContact CG1-SD 3.92Å; V78-M104 HydrophobicContact CG2-SD 4.34Å; V78-L106 HydrophobicContact CG1-CD2 3.95Å; V78-F122 HydrophobicContact CG1-CE2 4.41Å; V78-F122 HydrophobicContact CG1-CZ 4.33Å; V78-F122 HydrophobicContact CG2-CD1 4.05Å; V78-F122 HydrophobicContact CG2-CD2 4.39Å; V78-F122 HydrophobicContact CG2-CE1 3.78Å; V78-F122 HydrophobicContact CG2-CE2 4.16Å; V78-F122 HydrophobicContact CG2-CG 4.34Å; V78-F122 HydrophobicContact CG2-CZ 3.85Å |
| 79 | S | 98.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.2 | 179.4 | -148.4 | 0 | 0 | 0 | 0 | 110.9 | E56 M104 | E56-S79 WeakPolarHBondContact CG-OG 3.31Å; E56-S79 VanDerWaalsContact OE1-CB 3.27Å; E56-S79 WeakPolarHBondContact OE1-CB 3.1Å; E56-S79 PolarHBondContact OE1-OG 2.83Å; S79-M104 WeakPolarHBondContact O-CE 3.2Å |
| 80 | L | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148 | -177.1 | -64.1 | 171.7 | 0 | 0 | 0 | 111 | R57 V59 V78 R82 V102 M104 F122 Q124 | R57-L80 PolarHBondContact N-O 3.47Å; R57-L80 PolarHBondContact O-N 2.93Å; V59-L80 HydrophobicContact CB-CD1 4.21Å; V59-L80 HydrophobicContact CG2-CB 4.4Å; V59-L80 HydrophobicContact CG2-CD1 4.24Å; V78-L80 HydrophobicContact CG2-CD1 4.03Å; V78-L80 HydrophobicContact CG2-CG 4.08Å; L80-R82 PolarHBondContact O-N 2.76Å; L80-V102 HydrophobicContact CD2-CG1 3.7Å; L80-M104 HydrophobicContact CD2-CE 3.7Å; L80-F122 HydrophobicContact CD1-CB 3.67Å; L80-F122 HydrophobicContact CD1-CD1 3.91Å; L80-F122 HydrophobicContact CD1-CG 3.98Å; L80-F122 HydrophobicContact CD2-CB 3.54Å; L80-F122 HydrophobicContact CD2-CG 4.15Å; L80-F122 HydrophobicContact CG-CB 4.27Å; L80-Q124 HydrophobicContact CB-CG 4.36Å; L80-Q124 HydrophobicContact CD2-CG 3.71Å |
| 81 | L | 98.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 121 | 166.7 | -65.8 | 175.8 | 0 | 0 | 0 | 110.4 | A54 L55 Q124 H125 | A54-L81 HydrophobicContact CB-CB 4.45Å; L55-L81 WeakPolarHBondContact O-CA 3.03Å; L81-Q124 HydrophobicContact CB-CB 4.33Å; L81-H125 VanDerWaalsContact CB-O 3.27Å; L81-H125 WeakPolarHBondContact CB-O 3.37Å; L81-H125 PolarHBondContact O-N 3.2Å |
| 82 | R | 98.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.9 | 174.2 | -65.2 | -68.1 | 169.6 | 101.2 | -11.3 | 109.7 | L55 R57 V59 E64 L80 T84 | L55-R82 PolarHBondContact N-O 3.08Å; L55-R82 PolarHBondContact O-N 2.91Å; R57-R82 HydrophobicContact CB-CB 4.44Å; V59-R82 HydrophobicContact CG2-CG 4.21Å; E64-R82 IonicContact OE1-CZ 3.46Å; E64-R82 VanDerWaalsContact OE1-CZ 3.26Å; E64-R82 IonicContact OE1-NH1 2.78Å; E64-R82 PolarHBondContact OE1-NH1 3.41Å; E64-R82 IonicContact OE1-NH2 3.43Å; E64-R82 PolarHBondContact OE1-NH2 2.96Å; E64-R82 IonicContact OE2-CZ 3.71Å; E64-R82 IonicContact OE2-NH2 3.27Å; E64-R82 PolarHBondContact OE2-NH2 3.31Å; L80-R82 PolarHBondContact O-N 2.76Å; R82-T84 PolarHBondContact O-N 3.21Å |
| 83 | C | 98.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.6 | 173.8 | -65.6 | 0 | 0 | 0 | 0 | 108.9 | P96 H125 C128 | C83-P96 WeakPolarHBondContact SG-CA 3.36Å; C83-P96 VanDerWaalsContact SG-N 3.41Å; C83-H125 PolarHBondContact N-ND1 2.81Å; C83-H125 VanDerWaalsContact SG-CB 3.56Å; C83-H125 PolarHBondContact SG-ND1 3.31Å; C83-C128 WeakPolarHBondContact CA-SG 3.38Å; C83-C128 HydrophobicContact CB-CB 3.82Å; C83-C128 WeakPolarHBondContact CB-SG 3.41Å; C83-C128 WeakPolarHBondContact SG-CB 3.48Å; C83-C128 CovalentContact SG-SG 2.03Å; C83-C128 PolarHBondContact SG-SG 3.43Å |
| 84 | T | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.362 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 168.8 | 177.7 | -164.3 | 0 | 0 | 0 | 0 | 109.7 | C52 R53 L55 R82 | C52-T84 WeakPolarHBondContact CA-O 3.35Å; R53-T84 PolarHBondContact N-O 3.49Å; R53-T84 PolarHBondContact O-N 2.84Å; R53-T84 VanDerWaalsContact O-O 3.13Å; L55-T84 HydrophobicContact CB-CG2 3.78Å; L55-T84 HydrophobicContact CD1-CG2 3.67Å; L55-T84 HydrophobicContact CG-CG2 4.02Å; R82-T84 PolarHBondContact O-N 3.21Å |
| 85 | G | 97.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 109.1 | 172.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S50 | S50-G85 CarbonylContact O-C 3.57Å; S50-G85 WeakPolarHBondContact O-CA 3.37Å |
| 86 | C | 96.7 | Very high | 96.9 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -98.6 | 160.8 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | S50 C52 | S50-C86 PolarHBondContact O-N 3.47Å; C52-C86 PolarHBondContact N-O 3.29Å; C52-C86 VanDerWaalsContact N-O 3.09Å |
| 87 | C | 97.3 | Very high | 97 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | trans | -111 | 1.8 | -176.9 | -75.5 | 0 | 0 | 0 | 0 | 114.2 | D89 L92 C130 | C87-D89 PolarHBondContact O-N 3.07Å; C87-L92 HydrophobicContact CB-CB 3.52Å; C87-L92 HydrophobicContact CB-CD1 4.28Å; C87-C130 WeakPolarHBondContact CA-SG 3.35Å; C87-C130 HydrophobicContact CB-CB 3.64Å; C87-C130 WeakPolarHBondContact CB-SG 3.25Å; C87-C130 WeakPolarHBondContact SG-CA 3.28Å; C87-C130 WeakPolarHBondContact SG-CB 3.41Å; C87-C130 CovalentContact SG-SG 2.02Å; C87-C130 PolarHBondContact SG-SG 2.9Å | ||
| 88 | G | 94.7 | Very high | 97 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 77.1 | -12.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 89 | D | 94.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -133.5 | 132.7 | 176.7 | -173.3 | -37.4 | 0 | 0 | 0 | 108.4 | C87 N91 L92 | C87-D89 PolarHBondContact O-N 3.07Å; D89-N91 PolarHBondContact O-N 2.81Å; D89-N91 VanDerWaalsContact OD1-CB 3.28Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 2.79Å; D89-N91 PolarHBondContact OD1-ND2 3Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 HydrophobicContact CB-CD1 3.92Å; D89-L92 HydrophobicContact CB-CG 3.93Å; D89-L92 PolarHBondContact O-N 2.8Å; D89-L92 VanDerWaalsContact O-N 3.1Å |
| 90 | E | 92.4 | Very high | 97.1 | Very high | 191 Ų | 191 | 59.4 Ų | 59.4 | 89% | 0.893 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.7 | -178.7 | -59.6 | -174 | 148.4 | 0 | 0 | 112.8 | L92 | E90-L92 PolarHBondContact O-N 2.51Š|
| 91 | N | 94.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.9 | 176 | -54.1 | -65.4 | 0 | 0 | 0 | 112.6 | D89 P132 L133 | D89-N91 PolarHBondContact O-N 2.81Å; D89-N91 VanDerWaalsContact OD1-CB 3.28Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 2.79Å; D89-N91 PolarHBondContact OD1-ND2 3Å; N91-P132 WeakPolarHBondContact O-CA 3.39Å; N91-L133 PolarHBondContact O-N 2.69Å |
| 92 | L | 96.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 64.2 Ų | 64.2 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.8 | 176.8 | -59.8 | -179.4 | 0 | 0 | 0 | 110.6 | C87 D89 E90 C130 R131 P132 | C87-L92 HydrophobicContact CB-CB 3.52Å; C87-L92 HydrophobicContact CB-CD1 4.28Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 HydrophobicContact CB-CD1 3.92Å; D89-L92 HydrophobicContact CB-CG 3.93Å; D89-L92 PolarHBondContact O-N 2.8Å; D89-L92 VanDerWaalsContact O-N 3.1Å; E90-L92 PolarHBondContact O-N 2.51Å; L92-C130 HydrophobicContact CB-CB 4.36Å; L92-C130 HydrophobicContact CD1-CB 4.19Å; L92-R131 WeakPolarHBondContact CA-O 3.29Å; L92-P132 HydrophobicContact CD2-CB 4.41Å; L92-P132 HydrophobicContact CD2-CG 4.07Å |
| 93 | H | 96 | Very high | 97.1 | Very high | 72 Ų | 72 | 66 Ų | 66 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 172.3 | 63.2 | -61.5 | 0 | 0 | 0 | 110.7 | V95 R131 P132 L133 | H93-V95 WeakPolarHBondContact CD2-CG1 3.31Å; H93-V95 WeakPolarHBondContact NE2-CG1 3.19Å; H93-V95 PolarHBondContact O-N 2.96Å; H93-R131 PolarHBondContact N-O 3.2Å; H93-R131 PolarHBondContact ND1-O 2.88Å; H93-R131 PolarHBondContact O-N 3.42Å; H93-P132 PolarHBondContact CE1-O 3.48Å; H93-P132 VanDerWaalsContact CE1-O 3.29Å; H93-L133 HydrophobicContact CB-CD1 4.02Å |
| 94 | C | 98 | Very high | 97 | Very high | 26 Ų | 26 | 67.2 Ų | 67.2 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.2 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | C52 | C52-C94 WeakPolarHBondContact CA-SG 3.43Å; C52-C94 HydrophobicContact CB-CB 3.68Å; C52-C94 WeakPolarHBondContact CB-SG 3.42Å; C52-C94 WeakPolarHBondContact SG-CA 3.5Å; C52-C94 WeakPolarHBondContact SG-CB 3.36Å; C52-C94 CovalentContact SG-SG 2.03Å; C52-C94 PolarHBondContact SG-SG 3.46Å |
| 95 | V | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 70.4 Ų | 70.4 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.8 | -176.2 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | H93 C128 E129 R131 | H93-V95 WeakPolarHBondContact CD2-CG1 3.31Å; H93-V95 WeakPolarHBondContact NE2-CG1 3.19Å; H93-V95 PolarHBondContact O-N 2.96Å; V95-C128 VanDerWaalsContact O-CA 3.31Å; V95-C128 WeakPolarHBondContact O-CA 2.95Å; V95-E129 WeakPolarHBondContact CG2-O 3.02Å; V95-E129 PolarHBondContact N-O 3.18Å; V95-E129 PolarHBondContact O-N 2.89Å; V95-R131 HydrophobicContact CG2-CB 3.81Å; V95-R131 HydrophobicContact CG2-CG 3.42Å; V95-R131 VanDerWaalsContact CG2-CG 3.42Å |
| 96 | P | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136.5 | 169.2 | 28.5 | -33.4 | 0 | 0 | 0 | 110.7 | C83 T99 H125 | C83-P96 WeakPolarHBondContact SG-CA 3.36Å; C83-P96 VanDerWaalsContact SG-N 3.41Å; P96-T99 HydrophobicContact CB-CG2 3.96Å; P96-H125 HydrophobicContact CB-CB 4.09Å |
| 97 | V | 98 | Very high | 97.1 | Very high | 44 Ų | 44 | 68 Ų | 68 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -11.3 | 171.1 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | R127 E129 | V97-R127 HydrophobicContact CG2-CB 3.92Å; V97-R127 HydrophobicContact CG2-CG 3.9Å; V97-R127 VanDerWaalsContact CG2-O 3.3Å; V97-R127 WeakPolarHBondContact CG2-O 3.45Å; V97-R127 PolarHBondContact N-O 3.37Å; V97-E129 HydrophobicContact CG1-CB 3.86Å; V97-E129 HydrophobicContact CG1-CG 4Å; V97-E129 HydrophobicContact CG2-CB 4.44Å; V97-E129 HydrophobicContact CG2-CG 3.9Å |
| 98 | E | 98.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 135.4 | 173.5 | -167.4 | 179.6 | 164.4 | 0 | 0 | 109.8 | V126 R127 | E98-V126 HydrophobicContact CB-CG2 3.82Å; E98-V126 HydrophobicContact CG-CG2 3.56Å; E98-V126 PolarHBondContact O-N 2.9Å; E98-R127 HydrophobicContact CB-CB 3.76Å; E98-R127 PolarHBondContact N-O 2.89Å; E98-R127 PolarHBondContact O-N 2.74Å; E98-R127 IonicContact OE2-NE 3.6Å; E98-R127 PolarHBondContact OE2-NE 3.01Å |
| 99 | T | 98.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 147.1 | -178.4 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | P96 Q124 | P96-T99 HydrophobicContact CB-CG2 3.96Å; T99-Q124 CarbonylContact C-O 3.54Å; T99-Q124 WeakPolarHBondContact CA-O 3.45Å; T99-Q124 WeakPolarHBondContact CB-O 3.41Å |
| 100 | V | 98.5 | Very high | 96.9 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 38% | 0.382 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.4 | 173.5 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | Q124 V126 | V100-Q124 HydrophobicContact CG2-CB 4.08Å; V100-Q124 PolarHBondContact N-O 3.44Å; V100-Q124 PolarHBondContact O-N 2.03Å; V100-V126 HydrophobicContact CB-CG1 4.3Å; V100-V126 HydrophobicContact CG1-CG1 3.88Å; V100-V126 HydrophobicContact CG1-CG2 3.99Å; V100-V126 HydrophobicContact CG2-CG1 3.51Å |
| 101 | N | 98.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 68.6 Ų | 68.6 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.1 | 175.1 | -69.8 | -22.9 | 0 | 0 | 0 | 110.4 | T121 F122 | N101-T121 HydrophobicContact CB-CG2 3.71Å; N101-F122 CarbonylContact C-O 3.22Å; N101-F122 WeakPolarHBondContact CA-O 3.42Å |
| 102 | V | 98.1 | Very high | 96.4 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.8 | 171.5 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | L80 M104 T121 F122 Q124 | L80-V102 HydrophobicContact CD2-CG1 3.7Å; V102-M104 HydrophobicContact CG1-CE 3.8Å; V102-M104 HydrophobicContact CG2-CE 4.14Å; V102-M104 HydrophobicContact CG2-CG 4.41Å; V102-T121 CarbonylContact O-C 3.48Å; V102-T121 WeakPolarHBondContact O-CA 2.96Å; V102-F122 HydrophobicContact CG1-CB 4.07Å; V102-F122 PolarHBondContact N-O 3.16Å; V102-F122 PolarHBondContact O-N 3.04Å; V102-Q124 HydrophobicContact CB-CG 4.46Å; V102-Q124 HydrophobicContact CG1-CG 3.71Å |
| 103 | T | 98.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130 | 176 | -53.7 | 0 | 0 | 0 | 0 | 109.1 | E119 L120 T121 | T103-E119 HydrophobicContact CG2-CB 3.84Å; T103-E119 HydrophobicContact CG2-CG 4.47Å; T103-L120 CarbonylContact C-O 3.49Å; T103-L120 WeakPolarHBondContact CA-O 3.47Å; T103-T121 PolarHBondContact OG1-OG1 3.05Å |
| 104 | M | 98.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 76.3 Ų | 76.3 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.4 | -179.3 | -63.8 | 177.7 | 177.6 | 0 | 0 | 109.6 | V78 S79 L80 V102 L106 E119 L120 F122 | V78-M104 HydrophobicContact CB-SD 3.79Å; V78-M104 HydrophobicContact CG1-SD 3.92Å; V78-M104 HydrophobicContact CG2-SD 4.34Å; S79-M104 WeakPolarHBondContact O-CE 3.2Å; L80-M104 HydrophobicContact CD2-CE 3.7Å; V102-M104 HydrophobicContact CG1-CE 3.8Å; V102-M104 HydrophobicContact CG2-CE 4.14Å; V102-M104 HydrophobicContact CG2-CG 4.41Å; M104-L106 HydrophobicContact CB-CD1 3.76Å; M104-L106 WeakPolarHBondContact O-CD1 3.46Å; M104-E119 WeakPolarHBondContact O-CA 3.02Å; M104-L120 PolarHBondContact N-O 3.29Å; M104-L120 PolarHBondContact O-N 2.83Å; M104-F122 HydrophobicContact CB-CD2 4.42Å; M104-F122 HydrophobicContact CB-CE2 4.2Å; M104-F122 HydrophobicContact CG-CD2 4.33Å; M104-F122 HydrophobicContact SD-CD2 4.07Å; M104-F122 HydrophobicContact SD-CE2 4.26Å |
| 105 | Q | 98.2 | Very high | 95.9 | Very high | 126 Ų | 126 | 78.8 Ų | 78.8 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.5 | 172.6 | -173.8 | 178.9 | 82.4 | 0 | 0 | 110.1 | Y117 V118 | Q105-Y117 HydrophobicContact CG-CD1 4.01Å; Q105-Y117 HydrophobicContact CG-CG 4.44Å; Q105-V118 CarbonylContact C-O 3.56Å; Q105-V118 WeakPolarHBondContact CA-O 3.47Å |
| 106 | L | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.4 | -179.6 | -68.7 | 88.3 | 0 | 0 | 0 | 110.5 | I61 F73 V78 M104 Y117 V118 L120 F122 | I61-L106 HydrophobicContact CD1-CD2 3.08Å; I61-L106 HydrophobicContact CG1-CD2 3.91Å; F73-L106 HydrophobicContact CB-CD2 4.35Å; V78-L106 HydrophobicContact CG1-CD2 3.95Å; M104-L106 HydrophobicContact CB-CD1 3.76Å; M104-L106 WeakPolarHBondContact O-CD1 3.46Å; L106-Y117 CarbonylContact O-C 3.54Å; L106-Y117 WeakPolarHBondContact O-CA 3.06Å; L106-V118 HydrophobicContact CB-CG2 4.4Å; L106-V118 PolarHBondContact N-O 2.86Å; L106-V118 PolarHBondContact O-N 3.04Å; L106-L120 HydrophobicContact CD1-CB 4.27Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å |
| 107 | L | 97.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 85.4 Ų | 85.4 | 23% | 0.23 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.8 | 171.1 | -173.7 | 72 | 0 | 0 | 0 | 109.5 | F73 S74 I109 P115 Y117 | F73-L107 CarbonylContact C-O 3.58Å; F73-L107 WeakPolarHBondContact CA-O 3.09Å; S74-L107 PolarHBondContact N-O 3.45Å; S74-L107 PolarHBondContact O-N 3.35Å; L107-I109 HydrophobicContact CD2-CD1 4.24Å; L107-I109 HydrophobicContact CD2-CG1 4.28Å; L107-I109 HydrophobicContact CG-CG1 4.22Å; L107-P115 HydrophobicContact CD1-CB 3.84Å; L107-P115 HydrophobicContact CD2-CB 4.28Å; L107-P115 HydrophobicContact CG-CB 4.15Å; L107-Y117 HydrophobicContact CD1-CD1 4.32Å; L107-Y117 HydrophobicContact CD1-CE1 4.22Å |
| 108 | K | 96.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 85 Ų | 85 | 19% | 0.191 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.4 | 173.6 | -172.7 | 173.6 | -173.5 | 168.5 | 0 | 109.8 | E68 H71 F73 P115 S116 V118 | E68-K108 IonicContact OE1-NZ 2.84Å; E68-K108 WeakPolarHBondContact OE2-CE 3.4Å; E68-K108 IonicContact OE2-NZ 3.96Å; E68-K108 PolarHBondContact OE2-NZ 2.02Å; H71-K108 HydrophobicContact CB-CG 4.15Å; H71-K108 WeakPolarHBondContact CD2-CE 3.47Å; H71-K108 PolarHBondContact CE1-NZ 3.49Å; H71-K108 WeakPolarHBondContact ND1-CE 3.46Å; H71-K108 WeakPolarHBondContact NE2-CE 3.27Å; F73-K108 HydrophobicContact CD1-CB 4.38Å; F73-K108 HydrophobicContact CE1-CB 4.2Å; F73-K108 HydrophobicContact CE1-CD 4.29Å; F73-K108 HydrophobicContact CE1-CG 4.02Å; K108-P115 WeakPolarHBondContact O-CA 2.91Å; K108-S116 PolarHBondContact N-O 3.47Å; K108-S116 PolarHBondContact O-N 3.1Å; K108-V118 HydrophobicContact CB-CG1 3.79Å; K108-V118 HydrophobicContact CB-CG2 3.86Å; K108-V118 HydrophobicContact CD-CG1 3.92Å |
| 109 | I | 94.7 | Very high | 95.7 | Very high | 65 Ų | 65 | 87 Ų | 87 | 33% | 0.333 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | -177.7 | -52 | 174.4 | 0 | 0 | 0 | 107.9 | M72 L107 P115 | M72-I109 HydrophobicContact CB-CB 4.29Å; M72-I109 PolarHBondContact N-O 2.85Å; M72-I109 PolarHBondContact O-N 2.87Å; L107-I109 HydrophobicContact CD2-CD1 4.24Å; L107-I109 HydrophobicContact CD2-CG1 4.28Å; L107-I109 HydrophobicContact CG-CG1 4.22Å; I109-P115 HydrophobicContact CG1-CB 4.38Å |
| 110 | R | 90.9 | Very high | 95.6 | Very high | 118 Ų | 118 | 84.6 Ų | 84.6 | 45% | 0.445 | 45% | 0.448 | S | S | . | . | trans | -124.3 | 138.9 | 176.7 | -165.8 | 177.8 | -179.7 | -149 | 8.3 | 109.2 | G112 D113 | R110-G112 PolarHBondContact O-N 2.94Å; R110-D113 HydrophobicContact CB-CB 4.3Å; R110-D113 WeakPolarHBondContact CD-OD2 3.46Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact NH1-OD2 2.83Å; R110-D113 VanDerWaalsContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact O-N 2.93Å | ||
| 111 | S | 88.5 | Confident | 95.6 | Very high | 124 Ų | 124 | 84.4 Ų | 84.4 | 87% | 0.867 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 122.6 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 112 | G | 88.3 | Confident | 95.6 | Very high | 84 Ų | 84 | 78.6 Ų | 78.6 | 87% | 0.866 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R110 | R110-G112 PolarHBondContact O-N 2.94Š|
| 113 | D | 90.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -106.1 | 160.3 | 177.7 | -64.9 | -31.6 | 0 | 0 | 0 | 111.2 | R110 | R110-D113 HydrophobicContact CB-CB 4.3Å; R110-D113 WeakPolarHBondContact CD-OD2 3.46Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact NH1-OD2 2.83Å; R110-D113 VanDerWaalsContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact O-N 2.93Å |
| 114 | R | 94.2 | Very high | 95.6 | Very high | 230 Ų | 230 | 76.8 Ų | 76.8 | 87% | 0.868 | 41% | 0.405 | S | S | * | . | trans | -71.3 | 139.3 | 172.5 | -71.4 | -174.9 | 174.1 | -170.5 | -1.6 | 110 | ||||
| 115 | P | 95.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 76.1 Ų | 76.1 | 51% | 0.506 | 40% | 0.401 | S | S | . | . | trans | -55.1 | 141.4 | 171.6 | -25.3 | 34.6 | 0 | 0 | 0 | 111.6 | L107 K108 I109 | L107-P115 HydrophobicContact CD1-CB 3.84Å; L107-P115 HydrophobicContact CD2-CB 4.28Å; L107-P115 HydrophobicContact CG-CB 4.15Å; K108-P115 WeakPolarHBondContact O-CA 2.91Å; I109-P115 HydrophobicContact CG1-CB 4.38Å | ||
| 116 | S | 96 | Very high | 95.6 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.7 | -178 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | K108 | K108-S116 PolarHBondContact N-O 3.47Å; K108-S116 PolarHBondContact O-N 3.1Å |
| 117 | Y | 97.6 | Very high | 95.6 | Very high | 166 Ų | 166 | 78 Ų | 78 | 65% | 0.651 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.2 | 172.2 | -67.8 | -75.1 | 0 | 0 | 0 | 110 | Q105 L106 L107 | Q105-Y117 HydrophobicContact CG-CD1 4.01Å; Q105-Y117 HydrophobicContact CG-CG 4.44Å; L106-Y117 CarbonylContact O-C 3.54Å; L106-Y117 WeakPolarHBondContact O-CA 3.06Å; L107-Y117 HydrophobicContact CD1-CD1 4.32Å; L107-Y117 HydrophobicContact CD1-CE1 4.22Å |
| 118 | V | 96.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 76.8 Ų | 76.8 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | F73 Q105 L106 K108 L120 | F73-V118 HydrophobicContact CE1-CG2 4.22Å; Q105-V118 CarbonylContact C-O 3.56Å; Q105-V118 WeakPolarHBondContact CA-O 3.47Å; L106-V118 HydrophobicContact CB-CG2 4.4Å; L106-V118 PolarHBondContact N-O 2.86Å; L106-V118 PolarHBondContact O-N 3.04Å; K108-V118 HydrophobicContact CB-CG1 3.79Å; K108-V118 HydrophobicContact CB-CG2 3.86Å; K108-V118 HydrophobicContact CD-CG1 3.92Å; V118-L120 HydrophobicContact CG2-CG 4.34Å |
| 119 | E | 97.9 | Very high | 95.8 | Very high | 143 Ų | 143 | 77.6 Ų | 77.6 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.2 | 174 | -68.7 | 179.9 | -178.6 | 0 | 0 | 109.1 | T103 M104 | T103-E119 HydrophobicContact CG2-CB 3.84Å; T103-E119 HydrophobicContact CG2-CG 4.47Å; M104-E119 WeakPolarHBondContact O-CA 3.02Å |
| 120 | L | 96.9 | Very high | 96 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.7 | 176.1 | -62.9 | -177.1 | 0 | 0 | 0 | 109.7 | I61 Y65 F73 T103 M104 L106 V118 F122 | I61-L120 HydrophobicContact CG2-CD1 3.88Å; Y65-L120 HydrophobicContact CD2-CD1 4.49Å; Y65-L120 HydrophobicContact CE1-CD2 4.44Å; Y65-L120 HydrophobicContact CE2-CB 4.32Å; F73-L120 HydrophobicContact CD1-CD1 4.26Å; F73-L120 HydrophobicContact CE1-CD1 3.81Å; F73-L120 HydrophobicContact CZ-CD1 4.16Å; T103-L120 CarbonylContact C-O 3.49Å; T103-L120 WeakPolarHBondContact CA-O 3.47Å; M104-L120 PolarHBondContact N-O 3.29Å; M104-L120 PolarHBondContact O-N 2.83Å; L106-L120 HydrophobicContact CD1-CB 4.27Å; V118-L120 HydrophobicContact CG2-CG 4.34Å; L120-F122 HydrophobicContact CB-CE2 3.66Å; L120-F122 HydrophobicContact CB-CZ 3.84Å; L120-F122 HydrophobicContact CD1-CZ 4.21Å |
| 121 | T | 98.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 75.7 Ų | 75.7 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.7 | -176.6 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | Y65 N101 V102 T103 | Y65-T121 PolarHBondContact OH-N 3.09Å; Y65-T121 VanDerWaalsContact OH-N 3.11Å; Y65-T121 PolarHBondContact OH-O 2.88Å; N101-T121 HydrophobicContact CB-CG2 3.71Å; V102-T121 CarbonylContact O-C 3.48Å; V102-T121 WeakPolarHBondContact O-CA 2.96Å; T103-T121 PolarHBondContact OG1-OG1 3.05Å |
| 122 | F | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 0% | 0.004 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.1 | -177 | -59.8 | -89.9 | 0 | 0 | 0 | 110.7 | I61 E64 Y65 V78 L80 N101 V102 M104 L106 L120 | I61-F122 HydrophobicContact CG1-CE1 4.5Å; I61-F122 HydrophobicContact CG1-CZ 4.28Å; I61-F122 HydrophobicContact CG2-CZ 4.42Å; E64-F122 HydrophobicContact CB-CD1 4.33Å; E64-F122 HydrophobicContact CB-CE1 4.28Å; E64-F122 HydrophobicContact CG-CD1 4.31Å; E64-F122 HydrophobicContact CG-CE1 4.49Å; Y65-F122 HydrophobicContact CD2-CE1 4.02Å; Y65-F122 AromaticContact CE2-CD1 3.99Å; Y65-F122 HydrophobicContact CE2-CD1 3.99Å; Y65-F122 AromaticContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CZ 4.1Å; V78-F122 HydrophobicContact CG1-CE2 4.41Å; V78-F122 HydrophobicContact CG1-CZ 4.33Å; V78-F122 HydrophobicContact CG2-CD1 4.05Å; V78-F122 HydrophobicContact CG2-CD2 4.39Å; V78-F122 HydrophobicContact CG2-CE1 3.78Å; V78-F122 HydrophobicContact CG2-CE2 4.16Å; V78-F122 HydrophobicContact CG2-CG 4.34Å; V78-F122 HydrophobicContact CG2-CZ 3.85Å; L80-F122 HydrophobicContact CD1-CB 3.67Å; L80-F122 HydrophobicContact CD1-CD1 3.91Å; L80-F122 HydrophobicContact CD1-CG 3.98Å; L80-F122 HydrophobicContact CD2-CB 3.54Å; L80-F122 HydrophobicContact CD2-CG 4.15Å; L80-F122 HydrophobicContact CG-CB 4.27Å; N101-F122 CarbonylContact C-O 3.22Å; N101-F122 WeakPolarHBondContact CA-O 3.42Å; V102-F122 HydrophobicContact CG1-CB 4.07Å; V102-F122 PolarHBondContact N-O 3.16Å; V102-F122 PolarHBondContact O-N 3.04Å; M104-F122 HydrophobicContact CB-CD2 4.42Å; M104-F122 HydrophobicContact CB-CE2 4.2Å; M104-F122 HydrophobicContact CG-CD2 4.33Å; M104-F122 HydrophobicContact SD-CD2 4.07Å; M104-F122 HydrophobicContact SD-CE2 4.26Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L120-F122 HydrophobicContact CB-CE2 3.66Å; L120-F122 HydrophobicContact CB-CZ 3.84Å; L120-F122 HydrophobicContact CD1-CZ 4.21Å |
| 123 | S | 98.2 | Very high | 96.5 | Very high | 42 Ų | 42 | 75 Ų | 75 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.1 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 124 | Q | 98.1 | Very high | 96 | Very high | 34 Ų | 34 | 81.9 Ų | 81.9 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.6 | 174.7 | -71.9 | -159.7 | 87.7 | 0 | 0 | 110.9 | L80 L81 T99 V100 V102 | L80-Q124 HydrophobicContact CB-CG 4.36Å; L80-Q124 HydrophobicContact CD2-CG 3.71Å; L81-Q124 HydrophobicContact CB-CB 4.33Å; T99-Q124 CarbonylContact C-O 3.54Å; T99-Q124 WeakPolarHBondContact CA-O 3.45Å; T99-Q124 WeakPolarHBondContact CB-O 3.41Å; V100-Q124 HydrophobicContact CG2-CB 4.08Å; V100-Q124 PolarHBondContact N-O 3.44Å; V100-Q124 PolarHBondContact O-N 2.03Å; V102-Q124 HydrophobicContact CB-CG 4.46Å; V102-Q124 HydrophobicContact CG1-CG 3.71Å |
| 125 | H | 98.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 79 Ų | 79 | 15% | 0.153 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.4 | 175.3 | -54.1 | -178.4 | 0 | 0 | 0 | 108.7 | A54 L81 C83 P96 | A54-H125 VanDerWaalsContact CB-O 3.24Å; A54-H125 WeakPolarHBondContact CB-O 2.91Å; L81-H125 VanDerWaalsContact CB-O 3.27Å; L81-H125 WeakPolarHBondContact CB-O 3.37Å; L81-H125 PolarHBondContact O-N 3.2Å; C83-H125 PolarHBondContact N-ND1 2.81Å; C83-H125 VanDerWaalsContact SG-CB 3.56Å; C83-H125 PolarHBondContact SG-ND1 3.31Å; P96-H125 HydrophobicContact CB-CB 4.09Å |
| 126 | V | 97.8 | Very high | 93 | Very high | 59 Ų | 59 | 84.8 Ų | 84.8 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -19.4 | -179.7 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | E98 V100 | E98-V126 HydrophobicContact CB-CG2 3.82Å; E98-V126 HydrophobicContact CG-CG2 3.56Å; E98-V126 PolarHBondContact O-N 2.9Å; V100-V126 HydrophobicContact CB-CG1 4.3Å; V100-V126 HydrophobicContact CG1-CG1 3.88Å; V100-V126 HydrophobicContact CG1-CG2 3.99Å; V100-V126 HydrophobicContact CG2-CG1 3.51Å |
| 127 | R | 98.4 | Very high | 91.2 | Very high | 109 Ų | 109 | 90.1 Ų | 90.1 | 41% | 0.411 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134.8 | 176.1 | -159.1 | 172 | 67.1 | 80.2 | 4.4 | 110.8 | V97 E98 E129 | V97-R127 HydrophobicContact CG2-CB 3.92Å; V97-R127 HydrophobicContact CG2-CG 3.9Å; V97-R127 VanDerWaalsContact CG2-O 3.3Å; V97-R127 WeakPolarHBondContact CG2-O 3.45Å; V97-R127 PolarHBondContact N-O 3.37Å; E98-R127 HydrophobicContact CB-CB 3.76Å; E98-R127 PolarHBondContact N-O 2.89Å; E98-R127 PolarHBondContact O-N 2.74Å; E98-R127 IonicContact OE2-NE 3.6Å; E98-R127 PolarHBondContact OE2-NE 3.01Å; R127-E129 IonicContact CZ-OE1 3.88Å; R127-E129 IonicContact NH1-OE1 3.93Å; R127-E129 PolarHBondContact NH1-OE1 2.99Å; R127-E129 IonicContact NH2-OE1 2.65Å |
| 128 | C | 98.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 91.1 Ų | 91.1 | 13% | 0.128 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.1 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | R53 A54 C83 V95 | R53-C128 VanDerWaalsContact C-SG 3.55Å; A54-C128 PolarHBondContact N-SG 2.97Å; A54-C128 VanDerWaalsContact N-SG 3.37Å; C83-C128 WeakPolarHBondContact CA-SG 3.38Å; C83-C128 HydrophobicContact CB-CB 3.82Å; C83-C128 WeakPolarHBondContact CB-SG 3.41Å; C83-C128 WeakPolarHBondContact SG-CB 3.48Å; C83-C128 CovalentContact SG-SG 2.03Å; C83-C128 PolarHBondContact SG-SG 3.43Å; V95-C128 VanDerWaalsContact O-CA 3.31Å; V95-C128 WeakPolarHBondContact O-CA 2.95Å |
| 129 | E | 98.2 | Very high | 87.3 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 29% | 0.285 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 175.3 | -73.2 | 177 | -162.3 | 0 | 0 | 111.4 | V95 V97 R127 R131 | V95-E129 WeakPolarHBondContact CG2-O 3.02Å; V95-E129 PolarHBondContact N-O 3.18Å; V95-E129 PolarHBondContact O-N 2.89Å; V97-E129 HydrophobicContact CG1-CB 3.86Å; V97-E129 HydrophobicContact CG1-CG 4Å; V97-E129 HydrophobicContact CG2-CB 4.44Å; V97-E129 HydrophobicContact CG2-CG 3.9Å; R127-E129 IonicContact CZ-OE1 3.88Å; R127-E129 IonicContact NH1-OE1 3.93Å; R127-E129 PolarHBondContact NH1-OE1 2.99Å; R127-E129 IonicContact NH2-OE1 2.65Å; E129-R131 IonicContact OE2-CZ 3.12Å; E129-R131 IonicContact OE2-NE 2.62Å; E129-R131 PolarHBondContact OE2-NE 3.07Å; E129-R131 IonicContact OE2-NH2 3.94Å; E129-R131 PolarHBondContact OE2-NH2 3.33Å |
| 130 | C | 98.1 | Very high | 85.6 | Confident | 25 Ų | 25 | 96.6 Ų | 96.6 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119 | 170.1 | -69.4 | 0 | 0 | 0 | 0 | 110.5 | C52 C87 L92 | C52-C130 WeakPolarHBondContact CB-SG 3.14Å; C87-C130 WeakPolarHBondContact CA-SG 3.35Å; C87-C130 HydrophobicContact CB-CB 3.64Å; C87-C130 WeakPolarHBondContact CB-SG 3.25Å; C87-C130 WeakPolarHBondContact SG-CA 3.28Å; C87-C130 WeakPolarHBondContact SG-CB 3.41Å; C87-C130 CovalentContact SG-SG 2.02Å; C87-C130 PolarHBondContact SG-SG 2.9Å; L92-C130 HydrophobicContact CB-CB 4.36Å; L92-C130 HydrophobicContact CD1-CB 4.19Å |
| 131 | R | 96.5 | Very high | 83.8 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 45% | 0.445 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.9 | -179.9 | -62.4 | -61.7 | -171.2 | 107.9 | -2.4 | 111.2 | L92 H93 V95 E129 L133 | L92-R131 WeakPolarHBondContact CA-O 3.29Å; H93-R131 PolarHBondContact N-O 3.2Å; H93-R131 PolarHBondContact ND1-O 2.88Å; H93-R131 PolarHBondContact O-N 3.42Å; V95-R131 HydrophobicContact CG2-CB 3.81Å; V95-R131 HydrophobicContact CG2-CG 3.42Å; V95-R131 VanDerWaalsContact CG2-CG 3.42Å; E129-R131 IonicContact OE2-CZ 3.12Å; E129-R131 IonicContact OE2-NE 2.62Å; E129-R131 PolarHBondContact OE2-NE 3.07Å; E129-R131 IonicContact OE2-NH2 3.94Å; E129-R131 PolarHBondContact OE2-NH2 3.33Å; R131-L133 PolarHBondContact O-N 2.94Å |
| 132 | P | 95.3 | Very high | 81.9 | Confident | 91 Ų | 91 | 115 Ų | 115 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.6 | 176 | -26 | 34.8 | 0 | 0 | 0 | 112.7 | N91 L92 H93 R134 | N91-P132 WeakPolarHBondContact O-CA 3.39Å; L92-P132 HydrophobicContact CD2-CB 4.41Å; L92-P132 HydrophobicContact CD2-CG 4.07Å; H93-P132 PolarHBondContact CE1-O 3.48Å; H93-P132 VanDerWaalsContact CE1-O 3.29Å; P132-R134 PolarHBondContact O-N 2.84Å |
| 133 | L | 87.1 | Confident | 80.2 | Confident | 104 Ų | 104 | 126.2 Ų | 126.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | trans | -61.6 | 118.6 | 172 | -149.8 | 73.9 | 0 | 0 | 0 | 108.2 | N91 H93 R131 E135 | N91-L133 PolarHBondContact O-N 2.69Å; H93-L133 HydrophobicContact CB-CD1 4.02Å; R131-L133 PolarHBondContact O-N 2.94Å; L133-E135 PolarHBondContact O-N 2.62Å; L133-E135 VanDerWaalsContact O-N 3.07Å | ||
| 134 | R | 79.6 | Confident | 78.2 | Confident | 233 Ų | 233 | 130.3 Ų | 130.3 | 88% | 0.879 | 60% | 0.596 | S | S | * | * | trans | -74.2 | 102.3 | 168.8 | -70.9 | -172 | 175.8 | -172.3 | -0.5 | 107 | P132 K136 | P132-R134 PolarHBondContact O-N 2.84Å; R134-K136 PolarHBondContact O-N 2.84Å | ||
| 135 | E | 67.1 | Low | 76.2 | Confident | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 63% | 0.632 | S | S | * | * | trans | -55.3 | 114.7 | 166.3 | -73.6 | -170.1 | 164.7 | 0 | 0 | 107.7 | L133 M137 | L133-E135 PolarHBondContact O-N 2.62Å; L133-E135 VanDerWaalsContact O-N 3.07Å; E135-M137 PolarHBondContact O-N 3.12Å | ||
| 136 | K | 60.9 | Low | 73.9 | Confident | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | trans | -63.9 | 94.8 | 166.4 | -66.9 | -177.9 | -178.6 | 179.6 | 0 | 105.3 | R134 K138 | R134-K136 PolarHBondContact O-N 2.84Å; K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3.21Å | ||
| 137 | M | 58.5 | Low | 71.6 | Confident | 170 Ų | 170 | 149.4 Ų | 149.4 | 84% | 0.837 | 69% | 0.687 | S | S | * | * | trans | -52.9 | 105.1 | 167.7 | -70.4 | -176 | 84.5 | 0 | 0 | 106 | E135 P139 | E135-M137 PolarHBondContact O-N 3.12Å; M137-P139 WeakPolarHBondContact O-CD 3.41Å | ||
| 138 | K | 55.7 | Low | 69.5 | Low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | trans | -55.1 | 127.8 | 170.2 | -76.4 | -177.6 | 177 | 176.9 | 0 | 105.1 | K136 E140 | K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3.21Å; K138-E140 VanDerWaalsContact C-N 3.32Å; K138-E140 PolarHBondContact O-N 3.2Å | ||
| 139 | P | 56 | Low | 67.3 | Low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -59 | 105.4 | 171.5 | -13 | 23.7 | 0 | 0 | 0 | 106.3 | M137 R141 | M137-P139 WeakPolarHBondContact O-CD 3.41Å; P139-R141 PolarHBondContact O-N 3.29Å | ||
| 140 | E | 62.4 | Low | 65 | Low | 170 Ų | 170 | 165.4 Ų | 165.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -59.8 | 108.3 | 174.1 | -170.2 | -178.8 | 175.2 | 0 | 0 | 105.4 | K138 R142 | K138-E140 VanDerWaalsContact C-N 3.32Å; K138-E140 PolarHBondContact O-N 3.2Å; E140-R142 PolarHBondContact O-N 3.08Å | ||
| 141 | R | 59 | Low | 62.7 | Low | 237 Ų | 237 | 174.2 Ų | 174.2 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -60.5 | 91.5 | 171.7 | -75.1 | -178.6 | 175.9 | 175.6 | -1.3 | 106.1 | P139 R143 | P139-R141 PolarHBondContact O-N 3.29Å; R141-R143 PolarHBondContact O-N 3.01Å | ||
| 142 | R | 57.6 | Low | 60.5 | Low | 230 Ų | 230 | 179.9 Ų | 179.9 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -53.5 | 102.7 | 173.5 | -72.8 | -175.2 | 175 | -179.3 | -0.9 | 107.1 | E140 P144 | E140-R142 PolarHBondContact O-N 3.08Å; R142-P144 WeakPolarHBondContact O-CD 3.43Å | ||
| 143 | R | 61.8 | Low | 58.4 | Low | 237 Ų | 237 | 182.2 Ų | 182.2 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -57.5 | 124.1 | 169.7 | -78.9 | -178.3 | 171.9 | -176.7 | -2 | 106.8 | R141 K145 | R141-R143 PolarHBondContact O-N 3.01Å; R143-K145 PolarHBondContact O-N 3.03Å; R143-K145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | P | 57 | Low | 56.3 | Low | 128 Ų | 128 | 185 Ų | 185 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | trans | -60.9 | 118.5 | 173.2 | -18.8 | 30.5 | 0 | 0 | 0 | 108.4 | R142 G146 | R142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-G146 PolarHBondContact O-N 3.05Å | ||
| 145 | K | 55.3 | Low | 54.5 | Low | 211 Ų | 211 | 181.9 Ų | 181.9 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -65.2 | 101.9 | 176.2 | -157.7 | 163.6 | -174.9 | 172.8 | 0 | 107.4 | R143 R147 | R143-K145 PolarHBondContact O-N 3.03Å; R143-K145 VanDerWaalsContact O-N 3.08Å; K145-R147 PolarHBondContact O-N 3.41Å; K145-R147 VanDerWaalsContact O-N 3.13Å | ||
| 146 | G | 50.3 | Low | 53.3 | Low | 72 Ų | 72 | 185.1 Ų | 185.1 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -53 | 116.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P144 G148 | P144-G146 PolarHBondContact O-N 3.05Å; G146-G148 PolarHBondContact O-N 3.31Å |
| 147 | R | 50.3 | Low | 52.9 | Low | 243 Ų | 243 | 180.3 Ų | 180.3 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.4 | 177.9 | -136.5 | 173.9 | 178.9 | -175.4 | -0.9 | 109.4 | K145 K149 | K145-R147 PolarHBondContact O-N 3.41Å; K145-R147 VanDerWaalsContact O-N 3.13Å; R147-K149 PolarHBondContact O-N 3.09Å |
| 148 | G | 53.6 | Low | 52 | Low | 77 Ų | 77 | 179.1 Ų | 179.1 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 129.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G146 | G146-G148 PolarHBondContact O-N 3.31Š|
| 149 | K | 52.1 | Low | 51.2 | Low | 210 Ų | 210 | 175.8 Ų | 175.8 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 119 | 167.1 | -99.6 | -177.1 | 175.5 | 179.5 | 0 | 109.7 | R147 | R147-K149 PolarHBondContact O-N 3.09Š|
| 150 | R | 51 | Low | 50.7 | Low | 239 Ų | 239 | 176 Ų | 176 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -40.6 | 132.1 | 176 | -75 | 168.4 | 165.4 | 178.6 | -5.8 | 114.8 | ||||
| 151 | R | 49.8 | Very low | 49.9 | Very low | 209 Ų | 209 | 175.7 Ų | 175.7 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | trans | 9 | 112.6 | 136.7 | -167.4 | 176.5 | 175.1 | 172.3 | -1.7 | 115.5 | E153 | R151-E153 IonicContact CZ-OE2 2.76Å; R151-E153 IonicContact NE-OE2 2.81Å; R151-E153 PolarHBondContact NE-OE2 3.23Å; R151-E153 IonicContact NH2-OE2 3.43Å; R151-E153 PolarHBondContact NH2-OE2 3.17Å | ||
| 152 | R | 49.5 | Very low | 49.3 | Very low | 238 Ų | 238 | 172 Ų | 172 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -120.3 | 101.8 | 154.1 | -162.1 | 175 | -172.4 | -175.5 | 2.1 | 108.8 | ||||
| 153 | E | 51 | Low | 48.6 | Very low | 139 Ų | 139 | 167.2 Ų | 167.2 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -73.5 | 122.8 | 171 | -175.6 | 170.2 | 162.8 | 0 | 0 | 108.8 | R151 | R151-E153 IonicContact CZ-OE2 2.76Å; R151-E153 IonicContact NE-OE2 2.81Å; R151-E153 PolarHBondContact NE-OE2 3.23Å; R151-E153 IonicContact NH2-OE2 3.43Å; R151-E153 PolarHBondContact NH2-OE2 3.17Å | ||
| 154 | K | 44.5 | Very low | 47.5 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | trans | -161.6 | 109.4 | 156.1 | -122.7 | -178.7 | 175.7 | -169.8 | 0 | 112.4 | ||||
| 155 | Q | 41.5 | Very low | 46.7 | Very low | 168 Ų | 168 | 161.4 Ų | 161.4 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 70.9 | 109.1 | 138.7 | -68.3 | 166.7 | 1.6 | 0 | 0 | 120 | ||||
| 156 | R | 40.8 | Very low | 45.8 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -65.4 | -178.3 | 150.7 | -129.2 | -166.4 | 163.9 | -179 | -3.3 | 109.8 | ||||
| 157 | P | 52.3 | Low | 45.6 | Very low | 98 Ų | 98 | 159.5 Ų | 159.5 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | cis | -134 | 159.5 | -20.6 | 31.7 | -13.9 | 0 | 0 | 0 | 113 | ||||
| 158 | T | 39.5 | Very low | 45.3 | Very low | 146 Ų | 146 | 153 Ų | 153 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -153.1 | 134.5 | 136.1 | -33.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 159 | D | 39.9 | Very low | 44.8 | Very low | 117 Ų | 117 | 161.1 Ų | 161.1 | 63% | 0.626 | 81% | 0.81 | S | S | * | * | trans | -50.1 | 142.6 | 169.6 | 179.1 | 21.3 | 0 | 0 | 0 | 113.6 | H161 | D159-H161 IonicContact OD1-CD2 3.9Å; D159-H161 PolarHBondContact OD1-N 3.14Å | ||
| 160 | C | 44.5 | Very low | 44.3 | Very low | 128 Ų | 128 | 166.6 Ų | 166.6 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -156.6 | 93.6 | 139.3 | -99.3 | 0 | 0 | 0 | 0 | 107.7 | L162 | C160-L162 PolarHBondContact O-N 2.71Š| ||
| 161 | H | 47.1 | Very low | 44 | Very low | 163 Ų | 163 | 163 Ų | 163 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -37.2 | 125.4 | 141.8 | -98.1 | -83.9 | 0 | 0 | 0 | 110.4 | D159 | D159-H161 IonicContact OD1-CD2 3.9Å; D159-H161 PolarHBondContact OD1-N 3.14Å | ||
| 162 | L | 45.3 | Very low | 43.7 | Very low | 159 Ų | 159 | 160.5 Ų | 160.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 162.5 | 135.7 | 132.7 | -84 | 161 | 0 | 0 | 0 | 110.9 | C160 | C160-L162 PolarHBondContact O-N 2.71Š| ||
| 163 | C | 43.4 | Very low | 43.4 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | 76.7 | 121.2 | 164.3 | -53.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 164 | G | 38.4 | Very low | 42.9 | Very low | 72 Ų | 72 | 157.2 Ų | 157.2 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | cis | 155.6 | 143.1 | 13.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 165 | D | 40 | Very low | 42.8 | Very low | 170 Ų | 170 | 156.9 Ų | 156.9 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -52.1 | 138 | -173.7 | -58.8 | -79.4 | 0 | 0 | 0 | 115 | ||||
| 166 | A | 37.7 | Very low | 42.9 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -170.3 | 103 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | V | 45.5 | Very low | 43.1 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -127.3 | 151.9 | 151.8 | 176.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 168 | P | 44.8 | Very low | 42.4 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | cis | -127.1 | 177.9 | -16.9 | 30.8 | -12.2 | 0 | 0 | 0 | 112.4 | ||||
| 169 | R | 42.8 | Very low | 42.6 | Very low | 247 Ų | 247 | 155.1 Ų | 155.1 | 93% | 0.932 | 85% | 0.847 | S | S | * | * | trans | -145.4 | 118.2 | 144.9 | -81.9 | -151.4 | 173.1 | -170.4 | -0.2 | 113.3 | ||||
| 170 | R | 41.7 | Very low | 42.8 | Very low | 324 Ų | 324 | 158.5 Ų | 158.5 | 100% | 1.223 | 87% | 0.867 | S | S | * | * | trans | 52.6 | 0 | 158.9 | -75.5 | -173.8 | -173.4 | 179.5 | 2 | 119.7 |
Retrieved 170 of 170 residues in 74.9 ms
(Link to these results)