| 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 | 51.5 | Low | 49.9 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 100% | 1.177 | 85% | 0.849 | S | S | * | * | 0 | 121.4 | 0 | -65 | 169.6 | -163.2 | 0 | 0 | 107 | |||||
| 2 | E | 49 | Very low | 49.7 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | cis | -158.8 | 130.1 | -25.5 | -158.8 | 150.1 | 121.3 | 0 | 0 | 102 | ||||
| 3 | E | 44.2 | Very low | 49.5 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -81.8 | 165.3 | -169.4 | -92 | -76.6 | 157.4 | 0 | 0 | 113.2 | ||||
| 4 | A | 50.1 | Low | 49.4 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | 85.3 | 121.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 5 | G | 54.2 | Low | 48.7 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -161.3 | 63.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 6 | L | 56.6 | Low | 49.3 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -76.1 | 129.9 | 165.6 | -86.7 | 133.4 | 0 | 0 | 0 | 109.3 | ||||
| 7 | G | 54.4 | Low | 49 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -134.5 | 84.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | D | 50.9 | Low | 49.1 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -84.2 | 132.3 | 159.8 | -78.4 | -48.4 | 0 | 0 | 0 | 109.1 | ||||
| 9 | C | 50.3 | Low | 48.5 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -141.8 | 96.9 | 164 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | C | 46.5 | Very low | 48.5 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 72% | 0.716 | 82% | 0.821 | S | S | * | * | 62.5 | 102.1 | 129.3 | -56.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 11 | S | 41.7 | Very low | 48.4 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | 49.4 | 110 | 110.2 | -52 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 12 | S | 46.6 | Very low | 48.2 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | 35.6 | 127.9 | 128.3 | -47.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 13 | N | 47.1 | Very low | 47.9 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 87.4 | 128.9 | 132.6 | -75.1 | 1 | 0 | 0 | 0 | 123.3 | ||||
| 14 | T | 48.9 | Very low | 47.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 97.5 | 110.5 | 144.1 | -52 | 0 | 0 | 0 | 0 | 120 | ||||
| 15 | T | 39 | Very low | 47.6 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 38.7 | 104.7 | 140.7 | -41.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 16 | I | 57.4 | Low | 47 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -146.5 | 112.8 | 149.2 | -57.5 | -177.1 | 0 | 0 | 0 | 111 | ||||
| 17 | T | 44.2 | Very low | 46.7 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -67.6 | 126.7 | 154 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 18 | R | 51.6 | Low | 46.3 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 176.8 | 127.8 | 145 | -99.1 | 157.4 | -174.7 | -157.2 | 2.1 | 113.3 | ||||
| 19 | K | 38.2 | Very low | 46.3 | Very low | 166 Ų | 166 | 158 Ų | 158 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 43.3 | 109.3 | 142.1 | -71.4 | -177.1 | 162.9 | -153.6 | 0 | 119.1 | E21 | K19-E21 WeakPolarHBondContact CD-OE2 3.44Å; K19-E21 IonicContact NZ-OE2 3.32Å; K19-E21 PolarHBondContact NZ-OE2 3.3Å | ||
| 20 | S | 48.1 | Very low | 46.7 | Very low | 124 Ų | 124 | 158.6 Ų | 158.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -114.9 | 86.4 | 149.9 | 56 | 0 | 0 | 0 | 0 | 109.9 | K22 | S20-K22 PolarHBondContact O-N 3.45Š| ||
| 21 | E | 46.3 | Very low | 47.6 | Very low | 149 Ų | 149 | 162.2 Ų | 162.2 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 102 | 160.5 | -79.4 | 162.1 | 111.9 | 0 | 0 | 108.6 | K19 | K19-E21 WeakPolarHBondContact CD-OE2 3.44Å; K19-E21 IonicContact NZ-OE2 3.32Å; K19-E21 PolarHBondContact NZ-OE2 3.3Å | ||
| 22 | K | 46.5 | Very low | 49.3 | Very low | 205 Ų | 205 | 165.1 Ų | 165.1 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -127.6 | 92.3 | 158.8 | -93.4 | -173.5 | 177.8 | 175.3 | 0 | 109.8 | S20 K24 | S20-K22 PolarHBondContact O-N 3.45Å; K22-K24 PolarHBondContact O-N 2.78Å | ||
| 23 | R | 42.7 | Very low | 51.1 | Low | 231 Ų | 231 | 162.8 Ų | 162.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -58.6 | 122.8 | 166 | -57.8 | 169.2 | 93.6 | -172.1 | 7.1 | 108.6 | ||||
| 24 | K | 41.8 | Very low | 53.3 | Low | 199 Ų | 199 | 158.6 Ų | 158.6 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -175 | 126.8 | 145.3 | -104 | 166.6 | -172.9 | -171.7 | 0 | 109.9 | K22 | K22-K24 PolarHBondContact O-N 2.78Š| ||
| 25 | Q | 46.2 | Very low | 55.4 | Low | 179 Ų | 179 | 157.3 Ų | 157.3 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | 90 | 69.1 | 168.9 | -50.5 | -177 | 40 | 0 | 0 | 115.9 | H27 | Q25-H27 VanDerWaalsContact C-N 3.28Å; Q25-H27 PolarHBondContact O-N 2.74Å | ||
| 26 | Q | 42.1 | Very low | 57.9 | Low | 179 Ų | 179 | 153 Ų | 153 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | trans | -63.8 | 89.6 | 152 | -66 | 171.8 | -3 | 0 | 0 | 108.6 | ||||
| 27 | H | 49.3 | Very low | 59.6 | Low | 177 Ų | 177 | 145.8 Ų | 145.8 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -125.3 | 94.8 | 158.1 | -103.7 | 34 | 0 | 0 | 0 | 105.5 | Q25 Q29 | Q25-H27 VanDerWaalsContact C-N 3.28Å; Q25-H27 PolarHBondContact O-N 2.74Å; H27-Q29 PolarHBondContact O-N 3.47Å |
| 28 | Q | 46.7 | Very low | 62 | Low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | 33.4 | 83.9 | 168.7 | -59.4 | -177.4 | 24.1 | 0 | 0 | 113.4 | Q30 | Q28-Q30 PolarHBondContact O-N 3.24Š| ||
| 29 | Q | 50.7 | Low | 64 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | trans | -65.4 | 76.1 | 165 | -66.7 | -178.7 | 32.1 | 0 | 0 | 108 | H27 E31 | H27-Q29 PolarHBondContact O-N 3.47Å; Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.91Å | ||
| 30 | Q | 58.3 | Low | 66.6 | Low | 130 Ų | 130 | 136 Ų | 136 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | trans | -61.5 | 110 | 152 | -67.5 | -145.1 | -24.5 | 0 | 0 | 104.9 | Q28 K32 | Q28-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 PolarHBondContact O-N 3.28Å | ||
| 31 | E | 66 | Low | 68.7 | Low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 63% | 0.634 | S | S | * | * | trans | -46 | 111.5 | -178.9 | -62.8 | -175.5 | 154.2 | 0 | 0 | 108.3 | Q29 P33 | Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.91Å; E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.34Å; E31-P33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | K | 77.5 | Confident | 70.8 | Confident | 175 Ų | 175 | 143.5 Ų | 143.5 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | trans | -69.6 | 113.1 | 180 | -66.4 | 174.4 | -176.9 | 177 | 0 | 105.9 | Q30 Y34 | Q30-K32 PolarHBondContact O-N 3.28Å; K32-Y34 PolarHBondContact O-N 3.3Å | ||
| 33 | P | 84.8 | Confident | 73 | Confident | 58 Ų | 58 | 135.9 Ų | 135.9 | 38% | 0.377 | 62% | 0.618 | S | S | . | * | trans | -66.3 | -29.1 | -167.2 | 25.3 | -34.6 | 0 | 0 | 0 | 112.4 | E31 W45 P66 | E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.34Å; E31-P33 VanDerWaalsContact O-N 3.16Å; P33-W45 HydrophobicContact CG-CH2 3.63Å; P33-W45 HydrophobicContact CG-CZ3 3.62Å; P33-P66 HydrophobicContact CG-CB 3.88Å | ||
| 34 | Y | 93.2 | Very high | 75.4 | Confident | 66 Ų | 66 | 128.9 Ų | 128.9 | 26% | 0.259 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -141.9 | 152.1 | -176.3 | -57.8 | -69.7 | 0 | 0 | 0 | 112.6 | K32 I37 P66 V67 A70 N88 F89 | K32-Y34 PolarHBondContact O-N 3.3Å; Y34-I37 PolarHBondContact O-N 3.38Å; Y34-P66 HydrophobicContact CD2-CB 3.92Å; Y34-P66 HydrophobicContact CE2-CB 3.87Å; Y34-P66 HydrophobicContact CE2-CG 4.28Å; Y34-V67 HydrophobicContact CE2-CG2 4.1Å; Y34-A70 HydrophobicContact CD1-CB 4.03Å; Y34-A70 HydrophobicContact CD2-CB 3.69Å; Y34-A70 HydrophobicContact CE2-CB 4.43Å; Y34-A70 HydrophobicContact CG-CB 3.47Å; Y34-A70 VanDerWaalsContact CG-CB 3.47Å; Y34-N88 HydrophobicContact CD1-CB 4.2Å; Y34-F89 HydrophobicContact CD1-CZ 4.08Å; Y34-F89 AromaticContact CE1-CE1 3.92Å; Y34-F89 HydrophobicContact CE1-CE1 3.92Å; Y34-F89 AromaticContact CE1-CZ 3.61Å; Y34-F89 HydrophobicContact CE1-CZ 3.61Å; Y34-F89 AromaticContact CZ-CZ 3.92Å |
| 35 | R | 91.9 | Very high | 78 | Confident | 94 Ų | 94 | 121.2 Ų | 121.2 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | 139.4 | 176.4 | -68.2 | 158.9 | 59.7 | -136 | -8.4 | 110.1 | I37 Y73 R86 L87 N88 | R35-I37 PolarHBondContact O-N 2.72Å; R35-Y73 WeakPolarHBondContact O-CD1 3.48Å; R35-R86 VanDerWaalsContact CZ-O 3.24Å; R35-R86 VanDerWaalsContact NH1-C 3.26Å; R35-R86 PolarHBondContact NH1-O 3.24Å; R35-R86 PolarHBondContact NH2-O 3Å; R35-L87 PolarHBondContact NH1-O 3.12Å; R35-N88 WeakPolarHBondContact CB-OD1 3.3Å; R35-N88 PolarHBondContact N-OD1 3.27Å; R35-N88 PolarHBondContact O-ND2 3.39Å |
| 36 | G | 91.7 | Very high | 80.3 | Confident | 33 Ų | 33 | 112.9 Ų | 112.9 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 37 | I | 94.5 | Very high | 82.9 | Confident | 7 Ų | 7 | 104.4 Ų | 104.4 | 4% | 0.036 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.7 | -174.1 | -51.4 | -46.9 | 0 | 0 | 0 | 110.5 | Y34 R35 W45 A47 A69 A70 | Y34-I37 PolarHBondContact O-N 3.38Å; R35-I37 PolarHBondContact O-N 2.72Å; I37-W45 HydrophobicContact CG2-CB 4.18Å; I37-W45 HydrophobicContact CG2-CD2 4.4Å; I37-W45 HydrophobicContact CG2-CE3 3.64Å; I37-W45 HydrophobicContact CG2-CZ3 4.39Å; I37-A47 HydrophobicContact CD1-CB 3.8Å; I37-A69 HydrophobicContact CD1-CB 3.74Å; I37-A69 VanDerWaalsContact CD1-O 3.24Å; I37-A69 WeakPolarHBondContact CD1-O 3.24Å; I37-A69 HydrophobicContact CG1-CB 4.26Å; I37-A69 HydrophobicContact CG2-CB 3.86Å; I37-A70 HydrophobicContact CD1-CB 4.48Å; I37-A70 HydrophobicContact CG1-CB 4.01Å |
| 38 | R | 93.4 | Very high | 85 | Confident | 82 Ų | 82 | 97.9 Ų | 97.9 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.1 | 175.1 | 62.6 | 177.8 | -179.6 | 73.4 | -0.3 | 111.2 | V46 E48 | R38-V46 HydrophobicContact CG-CB 4.09Å; R38-V46 PolarHBondContact N-O 2.92Å; R38-V46 PolarHBondContact O-N 3.3Å; R38-E48 IonicContact CZ-OE2 3.52Å; R38-E48 IonicContact NE-OE2 3.08Å; R38-E48 PolarHBondContact NE-OE2 3.01Å; R38-E48 VanDerWaalsContact NE-OE2 3.08Å; R38-E48 IonicContact NH2-OE2 3.56Å; R38-E48 PolarHBondContact NH2-OE2 3.32Å |
| 39 | M | 93.4 | Very high | 87.2 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131 | 171.6 | -169.9 | 148.9 | 60.3 | 0 | 0 | 109.9 | W45 | M39-W45 HydrophobicContact CB-CD2 4.44Å; M39-W45 HydrophobicContact CB-CE3 3.88Å; M39-W45 HydrophobicContact CB-CH2 4.19Å; M39-W45 HydrophobicContact CB-CZ3 3.77Å; M39-W45 HydrophobicContact CE-CH2 3.98Å; M39-W45 HydrophobicContact CE-CZ2 4.19Å; M39-W45 HydrophobicContact CG-CE3 4.49Å; M39-W45 HydrophobicContact CG-CZ3 4.49Å; M39-W45 HydrophobicContact SD-CD2 4.37Å; M39-W45 HydrophobicContact SD-CH2 3.71Å; M39-W45 HydrophobicContact SD-CZ2 3.46Å; M39-W45 WeakPolarHBondContact SD-CZ2 3.5Å; M39-W45 HydrophobicContact SD-CZ3 4.22Å |
| 40 | R | 93.2 | Very high | 89.2 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | trans | -94.5 | 156.2 | 172.5 | -177.2 | 169.4 | -82.5 | 165 | -6.9 | 109.7 | W42 G43 K44 | R40-W42 PolarHBondContact O-N 3.44Å; R40-G43 PolarHBondContact O-N 2.93Å; R40-K44 PolarHBondContact N-O 2.98Å; R40-K44 VanDerWaalsContact N-O 3.12Å | ||
| 41 | K | 92.7 | Very high | 90.4 | Very high | 222 Ų | 222 | 83.6 Ų | 83.6 | 97% | 0.965 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -21.7 | 175.5 | 68.7 | 174.9 | -176.4 | 174 | 0 | 115.4 | G43 | K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 2.88Å |
| 42 | W | 89.7 | Confident | 91.2 | Very high | 208 Ų | 208 | 78.7 Ų | 78.7 | 79% | 0.788 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.3 | 175.2 | -175 | -110.4 | 0 | 0 | 0 | 113.7 | R40 | R40-W42 PolarHBondContact O-N 3.44Š|
| 43 | G | 92.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 80.5 | 16.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R40 K41 | R40-G43 PolarHBondContact O-N 2.93Å; K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 2.88Å |
| 44 | K | 94.3 | Very high | 91.7 | Very high | 85 Ų | 85 | 81.6 Ų | 81.6 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | trans | -103.4 | 141.4 | 172.9 | -63.4 | -66.7 | -175.4 | 179.2 | 0 | 111.3 | R40 | R40-K44 PolarHBondContact N-O 2.98Å; R40-K44 VanDerWaalsContact N-O 3.12Å | ||
| 45 | W | 95.6 | Very high | 91.4 | Very high | 38 Ų | 38 | 90.4 Ų | 90.4 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.9 | 174.6 | -61.7 | 93.7 | 0 | 0 | 0 | 109.3 | P33 I37 M39 S62 Y63 A64 P66 A69 | P33-W45 HydrophobicContact CG-CH2 3.63Å; P33-W45 HydrophobicContact CG-CZ3 3.62Å; I37-W45 HydrophobicContact CG2-CB 4.18Å; I37-W45 HydrophobicContact CG2-CD2 4.4Å; I37-W45 HydrophobicContact CG2-CE3 3.64Å; I37-W45 HydrophobicContact CG2-CZ3 4.39Å; M39-W45 HydrophobicContact CB-CD2 4.44Å; M39-W45 HydrophobicContact CB-CE3 3.88Å; M39-W45 HydrophobicContact CB-CH2 4.19Å; M39-W45 HydrophobicContact CB-CZ3 3.77Å; M39-W45 HydrophobicContact CE-CH2 3.98Å; M39-W45 HydrophobicContact CE-CZ2 4.19Å; M39-W45 HydrophobicContact CG-CE3 4.49Å; M39-W45 HydrophobicContact CG-CZ3 4.49Å; M39-W45 HydrophobicContact SD-CD2 4.37Å; M39-W45 HydrophobicContact SD-CH2 3.71Å; M39-W45 HydrophobicContact SD-CZ2 3.46Å; M39-W45 WeakPolarHBondContact SD-CZ2 3.5Å; M39-W45 HydrophobicContact SD-CZ3 4.22Å; W45-S62 CarbonylContact O-C 3.52Å; W45-S62 VanDerWaalsContact O-CA 3.3Å; W45-S62 WeakPolarHBondContact O-CA 3.37Å; W45-Y63 PolarHBondContact N-O 3.47Å; W45-Y63 PolarHBondContact O-N 2.89Å; W45-A64 VanDerWaalsContact CD1-O 3.24Å; W45-P66 HydrophobicContact CD2-CB 3.72Å; W45-P66 HydrophobicContact CE3-CB 4.07Å; W45-P66 HydrophobicContact CG-CB 4.15Å; W45-P66 HydrophobicContact CH2-CB 4.23Å; W45-P66 HydrophobicContact CZ2-CB 3.95Å; W45-P66 HydrophobicContact CZ2-CG 4.18Å; W45-P66 HydrophobicContact CZ3-CB 4.3Å; W45-A69 HydrophobicContact CB-CB 3.84Å |
| 46 | V | 95.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 89.8 Ų | 89.8 | 2% | 0.024 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.5 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | R38 | R38-V46 HydrophobicContact CG-CB 4.09Å; R38-V46 PolarHBondContact N-O 2.92Å; R38-V46 PolarHBondContact O-N 3.3Å |
| 47 | A | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I37 L60 G61 Y63 A69 | I37-A47 HydrophobicContact CD1-CB 3.8Å; A47-L60 HydrophobicContact CB-CB 4.14Å; A47-L60 HydrophobicContact CB-CD1 4.24Å; A47-L60 WeakPolarHBondContact O-CB 3.38Å; A47-L60 PolarHBondContact O-N 3.03Å; A47-G61 PolarHBondContact N-O 3.48Å; A47-G61 VanDerWaalsContact N-O 3.15Å; A47-Y63 HydrophobicContact CB-CE2 4.19Å; A47-A69 HydrophobicContact CB-CB 4.3Å; A47-A69 WeakPolarHBondContact CB-O 3.33Å |
| 48 | E | 94.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 94.7 Ų | 94.7 | 19% | 0.192 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.2 | 174.4 | 64 | -176 | -116.5 | 0 | 0 | 110.1 | R38 R57 I58 Y73 | R38-E48 IonicContact CZ-OE2 3.52Å; R38-E48 IonicContact NE-OE2 3.08Å; R38-E48 PolarHBondContact NE-OE2 3.01Å; R38-E48 VanDerWaalsContact NE-OE2 3.08Å; R38-E48 IonicContact NH2-OE2 3.56Å; R38-E48 PolarHBondContact NH2-OE2 3.32Å; E48-R57 IonicContact OE1-CZ 3.8Å; E48-R57 IonicContact OE1-NH1 2.76Å; E48-R57 PolarHBondContact OE1-NH1 3.22Å; E48-I58 CarbonylContact C-O 3.6Å; E48-I58 VanDerWaalsContact CA-O 3.31Å; E48-I58 WeakPolarHBondContact CA-O 3.36Å; E48-Y73 WeakPolarHBondContact O-CE2 3.06Å |
| 49 | I | 92.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 97.7 Ų | 97.7 | 2% | 0.015 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.1 | 179.3 | -171 | 151.7 | 0 | 0 | 0 | 111.8 | R57 I58 L60 Y73 A76 V77 L80 | I49-R57 WeakPolarHBondContact O-CA 3.39Å; I49-I58 HydrophobicContact CG2-CB 3.77Å; I49-I58 HydrophobicContact CG2-CD1 4.06Å; I49-I58 HydrophobicContact CG2-CG1 4.33Å; I49-I58 PolarHBondContact N-O 3.43Å; I49-I58 PolarHBondContact O-N 3.08Å; I49-L60 HydrophobicContact CB-CD1 4.38Å; I49-L60 HydrophobicContact CG2-CD1 4.22Å; I49-L60 HydrophobicContact CG2-CD2 4.05Å; I49-L60 HydrophobicContact CG2-CG 4.31Å; I49-Y73 HydrophobicContact CB-CD2 4.46Å; I49-Y73 HydrophobicContact CB-CE2 4.12Å; I49-Y73 HydrophobicContact CD1-CE2 4.15Å; I49-Y73 HydrophobicContact CG1-CE2 4.24Å; I49-A76 HydrophobicContact CD1-CB 4.23Å; I49-A76 HydrophobicContact CG2-CB 4.16Å; I49-V77 HydrophobicContact CD1-CB 4.15Å; I49-V77 HydrophobicContact CD1-CG2 3.37Å; I49-L80 HydrophobicContact CB-CD1 4.5Å; I49-L80 HydrophobicContact CD1-CD1 3.57Å; I49-L80 HydrophobicContact CG1-CD1 3.72Å; I49-L80 HydrophobicContact CG2-CD1 3.94Å |
| 50 | R | 91.4 | Very high | 91.3 | Very high | 153 Ų | 153 | 93.4 Ų | 93.4 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.9 | 171.1 | -67.6 | -178.1 | -179.9 | 176.5 | 0.9 | 108.6 | R57 | R50-R57 HydrophobicContact CG-CG 4.17Å |
| 51 | E | 85.3 | Confident | 91.5 | Very high | 30 Ų | 30 | 87.2 Ų | 87.2 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | trans | -71.1 | 141 | 172.2 | -65.3 | 178 | -132.9 | 0 | 0 | 109.9 | K54 I58 L80 | E51-K54 HydrophobicContact CB-CB 4.13Å; E51-K54 HydrophobicContact CB-CG 4.3Å; E51-K54 PolarHBondContact O-N 3.17Å; E51-K54 IonicContact OE1-NZ 2.78Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.36Å; E51-K54 VanDerWaalsContact OE2-CE 3.22Å; E51-K54 WeakPolarHBondContact OE2-CE 3.18Å; E51-K54 IonicContact OE2-NZ 2.78Å; E51-K54 PolarHBondContact OE2-NZ 3.35Å; E51-I58 HydrophobicContact CG-CD1 3.97Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.46Å; E51-L80 HydrophobicContact CG-CD1 3.92Å; E51-L80 HydrophobicContact CG-CD2 3.76Å | ||
| 52 | P | 81.6 | Confident | 91.7 | Very high | 79 Ų | 79 | 79.8 Ų | 79.8 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 141.3 | 166.3 | 28.5 | -32.3 | 0 | 0 | 0 | 108.9 | K54 | P52-K54 PolarHBondContact O-N 3.31Š|
| 53 | N | 85.8 | Confident | 92 | Very high | 174 Ų | 174 | 70.3 Ų | 70.3 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -3.3 | -179.6 | -45.8 | -38.7 | 0 | 0 | 0 | 116.9 | ||
| 54 | K | 86.7 | Confident | 92.1 | Very high | 120 Ų | 120 | 69.9 Ų | 69.9 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | trans | -114.3 | 144.3 | 173 | -57.9 | -161 | -173.7 | 148 | 0 | 112.1 | E51 P52 | E51-K54 HydrophobicContact CB-CB 4.13Å; E51-K54 HydrophobicContact CB-CG 4.3Å; E51-K54 PolarHBondContact O-N 3.17Å; E51-K54 IonicContact OE1-NZ 2.78Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.36Å; E51-K54 VanDerWaalsContact OE2-CE 3.22Å; E51-K54 WeakPolarHBondContact OE2-CE 3.18Å; E51-K54 IonicContact OE2-NZ 2.78Å; E51-K54 PolarHBondContact OE2-NZ 3.35Å; P52-K54 PolarHBondContact O-N 3.31Å | ||
| 55 | R | 87.8 | Confident | 92.1 | Very high | 251 Ų | 251 | 66 Ų | 66 | 95% | 0.947 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -77 | -26.6 | 171.9 | -170.2 | 173.3 | -179 | 176.5 | 0.1 | 112.1 | ||
| 56 | S | 89 | Confident | 92.1 | Very high | 82 Ų | 82 | 65.5 Ų | 65.5 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | trans | -67.4 | 147.4 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 57 | R | 92.3 | Very high | 92.1 | Very high | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.9 | 172.8 | -53.2 | -169.6 | -171.6 | -175.9 | 13.8 | 109.3 | E48 I49 R50 | E48-R57 IonicContact OE1-CZ 3.8Å; E48-R57 IonicContact OE1-NH1 2.76Å; E48-R57 PolarHBondContact OE1-NH1 3.22Å; I49-R57 WeakPolarHBondContact O-CA 3.39Å; R50-R57 HydrophobicContact CG-CG 4.17Å |
| 58 | I | 92.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.6 | 169.9 | -51.4 | 166.2 | 0 | 0 | 0 | 107.4 | E48 I49 E51 L60 L80 A109 R113 | E48-I58 CarbonylContact C-O 3.6Å; E48-I58 VanDerWaalsContact CA-O 3.31Å; E48-I58 WeakPolarHBondContact CA-O 3.36Å; I49-I58 HydrophobicContact CG2-CB 3.77Å; I49-I58 HydrophobicContact CG2-CD1 4.06Å; I49-I58 HydrophobicContact CG2-CG1 4.33Å; I49-I58 PolarHBondContact N-O 3.43Å; I49-I58 PolarHBondContact O-N 3.08Å; E51-I58 HydrophobicContact CG-CD1 3.97Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.46Å; I58-L60 HydrophobicContact CB-CD2 4.47Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-L80 HydrophobicContact CD1-CD1 4.38Å; I58-A109 HydrophobicContact CD1-CB 3.82Å; I58-A109 HydrophobicContact CG1-CB 4.1Å; I58-R113 HydrophobicContact CG2-CB 4.16Å; I58-R113 HydrophobicContact CG2-CG 4.49Å |
| 59 | W | 94.2 | Very high | 92.3 | Very high | 145 Ų | 145 | 65 Ų | 65 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.4 | 169.6 | 173.2 | 51.6 | 0 | 0 | 0 | 109.4 | G61 R113 | W59-G61 PolarHBondContact NE1-O 3.46Å; W59-R113 WeakPolarHBondContact O-CG 3.33Å; W59-R113 PolarHBondContact O-NH1 2.81Å |
| 60 | L | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -33.2 | -173.4 | -56.3 | 173.8 | 0 | 0 | 0 | 112 | A47 I49 I58 Y63 Y73 A76 A116 T117 | A47-L60 HydrophobicContact CB-CB 4.14Å; A47-L60 HydrophobicContact CB-CD1 4.24Å; A47-L60 WeakPolarHBondContact O-CB 3.38Å; A47-L60 PolarHBondContact O-N 3.03Å; I49-L60 HydrophobicContact CB-CD1 4.38Å; I49-L60 HydrophobicContact CG2-CD1 4.22Å; I49-L60 HydrophobicContact CG2-CD2 4.05Å; I49-L60 HydrophobicContact CG2-CG 4.31Å; I58-L60 HydrophobicContact CB-CD2 4.47Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; L60-Y63 PolarHBondContact O-OH 3.03Å; L60-Y73 HydrophobicContact CD1-CD2 4.33Å; L60-A76 HydrophobicContact CD1-CB 3.47Å; L60-A76 VanDerWaalsContact CD1-CB 3.47Å; L60-A76 HydrophobicContact CD2-CB 3.59Å; L60-A76 HydrophobicContact CG-CB 4.18Å; L60-A116 HydrophobicContact CB-CB 4.24Å; L60-A116 HydrophobicContact CD2-CB 3.89Å; L60-A116 HydrophobicContact CG-CB 4.44Å; L60-T117 PolarHBondContact O-OG1 2.88Å |
| 61 | G | 96 | Very high | 92.6 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | 179.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A47 W59 | A47-G61 PolarHBondContact N-O 3.48Å; A47-G61 VanDerWaalsContact N-O 3.15Å; W59-G61 PolarHBondContact NE1-O 3.46Å |
| 62 | S | 96.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 59.8 Ų | 59.8 | 46% | 0.462 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.9 | 168.8 | 56.3 | 0 | 0 | 0 | 0 | 108.9 | W45 | W45-S62 CarbonylContact O-C 3.52Å; W45-S62 VanDerWaalsContact O-CA 3.3Å; W45-S62 WeakPolarHBondContact O-CA 3.37Å |
| 63 | Y | 96.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.8 | -169.7 | -53.1 | -80.9 | 0 | 0 | 0 | 110.4 | W45 A47 L60 T65 A68 A69 A72 A116 G120 D124 | W45-Y63 PolarHBondContact N-O 3.47Å; W45-Y63 PolarHBondContact O-N 2.89Å; A47-Y63 HydrophobicContact CB-CE2 4.19Å; L60-Y63 PolarHBondContact O-OH 3.03Å; Y63-T65 VanDerWaalsContact C-N 3.31Å; Y63-A68 HydrophobicContact CD1-CB 4.13Å; Y63-A68 HydrophobicContact CG-CB 4.01Å; Y63-A69 HydrophobicContact CD2-CB 3.63Å; Y63-A69 HydrophobicContact CE2-CB 4.41Å; Y63-A69 HydrophobicContact CG-CB 4.36Å; Y63-A72 HydrophobicContact CE2-CB 3.71Å; Y63-A72 VanDerWaalsContact OH-CB 3.25Å; Y63-A72 WeakPolarHBondContact OH-CB 3.4Å; Y63-A116 PolarHBondContact OH-O 3.14Å; Y63-G120 VanDerWaalsContact CE1-CA 3.46Å; Y63-D124 HydrophobicContact CD1-CB 4.23Å |
| 64 | A | 94.9 | Very high | 94.3 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -72.5 | -29.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W45 D124 | W45-A64 VanDerWaalsContact CD1-O 3.24Å; A64-D124 WeakPolarHBondContact CB-OD1 3.45Å; A64-D124 PolarHBondContact N-OD1 3.08Å; A64-D124 PolarHBondContact N-OD2 3.08Å |
| 65 | T | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -113 | 145.6 | -173.6 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | Y63 V67 A68 A69 D124 Q127 | Y63-T65 VanDerWaalsContact C-N 3.31Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 2.91Å; T65-A68 WeakPolarHBondContact OG1-CB 3.28Å; T65-A68 PolarHBondContact OG1-N 3.31Å; T65-A69 PolarHBondContact O-N 3.16Å; T65-D124 PolarHBondContact N-OD1 3.34Å; T65-D124 PolarHBondContact OG1-OD1 2.9Å; T65-Q127 VanDerWaalsContact CB-OE1 3.27Å; T65-Q127 HydrophobicContact CG2-CB 3.97Å; T65-Q127 VanDerWaalsContact CG2-CD 3.48Å; T65-Q127 HydrophobicContact CG2-CG 3.7Å; T65-Q127 PolarHBondContact OG1-OE1 2.82Å |
| 66 | P | 95.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 33 Ų | 33 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -31.2 | 178.5 | 27 | -32.6 | 0 | 0 | 0 | 111.7 | P33 Y34 W45 A69 A70 | P33-P66 HydrophobicContact CG-CB 3.88Å; Y34-P66 HydrophobicContact CD2-CB 3.92Å; Y34-P66 HydrophobicContact CE2-CB 3.87Å; Y34-P66 HydrophobicContact CE2-CG 4.28Å; W45-P66 HydrophobicContact CD2-CB 3.72Å; W45-P66 HydrophobicContact CE3-CB 4.07Å; W45-P66 HydrophobicContact CG-CB 4.15Å; W45-P66 HydrophobicContact CH2-CB 4.23Å; W45-P66 HydrophobicContact CZ2-CB 3.95Å; W45-P66 HydrophobicContact CZ2-CG 4.18Å; W45-P66 HydrophobicContact CZ3-CB 4.3Å; P66-A69 PolarHBondContact O-N 3.14Å; P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 3.07Å |
| 67 | V | 95.5 | Very high | 95.1 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | Y34 T65 A69 A70 R71 F89 V123 | Y34-V67 HydrophobicContact CE2-CG2 4.1Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 2.91Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.92Å; V67-A70 PolarHBondContact O-N 2.96Å; V67-R71 HydrophobicContact CG1-CG 4.4Å; V67-R71 WeakPolarHBondContact O-CB 3.4Å; V67-R71 WeakPolarHBondContact O-CG 3.47Å; V67-R71 PolarHBondContact O-N 2.84Å; V67-F89 HydrophobicContact CG1-CE2 4.43Å; V67-F89 HydrophobicContact CG1-CZ 3.96Å; V67-V123 HydrophobicContact CG1-CG1 4.16Å |
| 68 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y63 T65 R71 A72 G120 V123 D124 | Y63-A68 HydrophobicContact CD1-CB 4.13Å; Y63-A68 HydrophobicContact CG-CB 4.01Å; T65-A68 WeakPolarHBondContact OG1-CB 3.28Å; T65-A68 PolarHBondContact OG1-N 3.31Å; A68-R71 PolarHBondContact O-N 2.99Å; A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.42Å; A68-G120 WeakPolarHBondContact CB-O 3.49Å; A68-V123 HydrophobicContact CB-CB 3.81Å; A68-V123 HydrophobicContact CB-CG1 4.07Å; A68-D124 HydrophobicContact CB-CB 3.7Å |
| 69 | A | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I37 W45 A47 Y63 T65 P66 V67 A72 Y73 | I37-A69 HydrophobicContact CD1-CB 3.74Å; I37-A69 VanDerWaalsContact CD1-O 3.24Å; I37-A69 WeakPolarHBondContact CD1-O 3.24Å; I37-A69 HydrophobicContact CG1-CB 4.26Å; I37-A69 HydrophobicContact CG2-CB 3.86Å; W45-A69 HydrophobicContact CB-CB 3.84Å; A47-A69 HydrophobicContact CB-CB 4.3Å; A47-A69 WeakPolarHBondContact CB-O 3.33Å; Y63-A69 HydrophobicContact CD2-CB 3.63Å; Y63-A69 HydrophobicContact CE2-CB 4.41Å; Y63-A69 HydrophobicContact CG-CB 4.36Å; T65-A69 PolarHBondContact O-N 3.16Å; P66-A69 PolarHBondContact O-N 3.14Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.92Å; A69-A72 PolarHBondContact O-N 3.11Å; A69-Y73 PolarHBondContact O-N 3.42Å |
| 70 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y34 I37 P66 V67 Y73 D74 F89 | Y34-A70 HydrophobicContact CD1-CB 4.03Å; Y34-A70 HydrophobicContact CD2-CB 3.69Å; Y34-A70 HydrophobicContact CE2-CB 4.43Å; Y34-A70 HydrophobicContact CG-CB 3.47Å; Y34-A70 VanDerWaalsContact CG-CB 3.47Å; I37-A70 HydrophobicContact CD1-CB 4.48Å; I37-A70 HydrophobicContact CG1-CB 4.01Å; P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 3.07Å; V67-A70 PolarHBondContact O-N 2.96Å; A70-Y73 WeakPolarHBondContact O-CB 3.32Å; A70-Y73 PolarHBondContact O-N 2.74Å; A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 3.21Å; A70-F89 HydrophobicContact CB-CE2 3.54Å; A70-F89 HydrophobicContact CB-CZ 4.08Å |
| 71 | R | 95.5 | Very high | 94.2 | Very high | 77 Ų | 77 | 28.6 Ų | 28.6 | 29% | 0.291 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.6 | -42 | 175.6 | -74.5 | -166.9 | 54.6 | -156.6 | 4.1 | 112.2 | V67 A68 Y73 D74 T75 F89 L92 V119 V123 | V67-R71 HydrophobicContact CG1-CG 4.4Å; V67-R71 WeakPolarHBondContact O-CB 3.4Å; V67-R71 WeakPolarHBondContact O-CG 3.47Å; V67-R71 PolarHBondContact O-N 2.84Å; A68-R71 PolarHBondContact O-N 2.99Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.17Å; R71-D74 PolarHBondContact O-N 2.9Å; R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 2.81Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å; R71-F89 HydrophobicContact CG-CD2 3.73Å; R71-F89 HydrophobicContact CG-CE2 3.65Å; R71-L92 HydrophobicContact CG-CD1 4.23Å; R71-V119 HydrophobicContact CB-CG1 4.09Å; R71-V123 HydrophobicContact CB-CG2 3.98Å; R71-V123 HydrophobicContact CG-CG2 4.38Å; R71-V123 VanDerWaalsContact CZ-CG2 3.44Å |
| 72 | A | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y63 A68 A69 A76 A116 | Y63-A72 HydrophobicContact CE2-CB 3.71Å; Y63-A72 VanDerWaalsContact OH-CB 3.25Å; Y63-A72 WeakPolarHBondContact OH-CB 3.4Å; A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.42Å; A69-A72 PolarHBondContact O-N 3.11Å; A72-A76 PolarHBondContact O-N 3.46Å; A72-A76 VanDerWaalsContact O-N 3.14Å; A72-A116 HydrophobicContact CB-CB 4.35Å; A72-A116 VanDerWaalsContact CB-O 3.31Å; A72-A116 WeakPolarHBondContact CB-O 3.44Å; A72-A116 VanDerWaalsContact O-CB 3.3Å; A72-A116 WeakPolarHBondContact O-CB 3.48Å |
| 73 | Y | 96.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.7 | -178.1 | -98.8 | 0 | 0 | 0 | 112 | R35 E48 I49 L60 A69 A70 R71 T75 A76 V77 | R35-Y73 WeakPolarHBondContact O-CD1 3.48Å; E48-Y73 WeakPolarHBondContact O-CE2 3.06Å; I49-Y73 HydrophobicContact CB-CD2 4.46Å; I49-Y73 HydrophobicContact CB-CE2 4.12Å; I49-Y73 HydrophobicContact CD1-CE2 4.15Å; I49-Y73 HydrophobicContact CG1-CE2 4.24Å; L60-Y73 HydrophobicContact CD1-CD2 4.33Å; A69-Y73 PolarHBondContact O-N 3.42Å; A70-Y73 WeakPolarHBondContact O-CB 3.32Å; A70-Y73 PolarHBondContact O-N 2.74Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.17Å; Y73-T75 PolarHBondContact O-N 2.82Å; Y73-A76 PolarHBondContact O-N 2.84Å; Y73-A76 VanDerWaalsContact O-N 3.1Å; Y73-V77 HydrophobicContact CD1-CG2 3.76Å; Y73-V77 HydrophobicContact CD2-CG2 4.48Å; Y73-V77 HydrophobicContact CE1-CG2 3.36Å; Y73-V77 HydrophobicContact CE2-CG2 4.13Å; Y73-V77 HydrophobicContact CG-CG2 4.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.5Å; Y73-V77 PolarHBondContact O-N 2.91Å |
| 74 | D | 94.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.8 | -82.5 | 4.6 | 0 | 0 | 0 | 112.3 | A70 R71 A76 V77 F78 L87 N88 F89 | A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 3.21Å; R71-D74 PolarHBondContact O-N 2.9Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.33Å; D74-V77 PolarHBondContact O-N 3.28Å; D74-F78 WeakPolarHBondContact O-CB 3.35Å; D74-F78 PolarHBondContact O-N 3.4Å; D74-L87 HydrophobicContact CB-CB 4.35Å; D74-L87 HydrophobicContact CB-CD1 3.95Å; D74-L87 HydrophobicContact CB-CD2 4.42Å; D74-L87 HydrophobicContact CB-CG 4.5Å; D74-N88 VanDerWaalsContact CG-N 3.27Å; D74-N88 PolarHBondContact OD1-N 2.89Å; D74-N88 PolarHBondContact OD1-ND2 3.5Å; D74-N88 WeakPolarHBondContact OD2-CA 3.39Å; D74-N88 WeakPolarHBondContact OD2-CB 3.24Å; D74-N88 PolarHBondContact OD2-N 3.47Å; D74-F89 VanDerWaalsContact OD2-CD2 3.32Å; D74-F89 WeakPolarHBondContact OD2-CD2 3.14Å; D74-F89 PolarHBondContact OD2-N 3.48Å |
| 75 | T | 93.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -44.9 | 172.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | R71 Y73 F78 H79 K115 V119 | R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 2.81Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å; Y73-T75 PolarHBondContact O-N 2.82Å; T75-F78 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-N 3.22Å; T75-H79 PolarHBondContact O-ND1 2.92Å; T75-K115 HydrophobicContact CG2-CB 4.2Å; T75-V119 HydrophobicContact CG2-CG2 4.23Å |
| 76 | A | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I49 L60 A72 Y73 D74 H79 L80 I112 A116 | I49-A76 HydrophobicContact CD1-CB 4.23Å; I49-A76 HydrophobicContact CG2-CB 4.16Å; L60-A76 HydrophobicContact CD1-CB 3.47Å; L60-A76 VanDerWaalsContact CD1-CB 3.47Å; L60-A76 HydrophobicContact CD2-CB 3.59Å; L60-A76 HydrophobicContact CG-CB 4.18Å; A72-A76 PolarHBondContact O-N 3.46Å; A72-A76 VanDerWaalsContact O-N 3.14Å; Y73-A76 PolarHBondContact O-N 2.84Å; Y73-A76 VanDerWaalsContact O-N 3.1Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.33Å; A76-H79 PolarHBondContact O-N 2.9Å; A76-L80 WeakPolarHBondContact O-CB 3.37Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.89Å; A76-L80 VanDerWaalsContact O-N 3.09Å; A76-I112 HydrophobicContact CB-CG2 3.76Å; A76-A116 HydrophobicContact CB-CB 4.27Å |
| 77 | V | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | I49 Y73 D74 H79 L80 R81 A85 L87 | I49-V77 HydrophobicContact CD1-CB 4.15Å; I49-V77 HydrophobicContact CD1-CG2 3.37Å; Y73-V77 HydrophobicContact CD1-CG2 3.76Å; Y73-V77 HydrophobicContact CD2-CG2 4.48Å; Y73-V77 HydrophobicContact CE1-CG2 3.36Å; Y73-V77 HydrophobicContact CE2-CG2 4.13Å; Y73-V77 HydrophobicContact CG-CG2 4.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.5Å; Y73-V77 PolarHBondContact O-N 2.91Å; D74-V77 PolarHBondContact O-N 3.28Å; V77-H79 VanDerWaalsContact C-N 3.35Å; V77-H79 PolarHBondContact O-N 2.84Å; V77-L80 PolarHBondContact O-N 2.68Å; V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 PolarHBondContact O-N 2.99Å; V77-A85 HydrophobicContact CG1-CB 3.53Å; V77-L87 HydrophobicContact CB-CD2 3.64Å; V77-L87 HydrophobicContact CG1-CD2 3.38Å |
| 78 | F | 90.9 | Very high | 91.8 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 178.2 | 179.8 | -98.9 | 0 | 0 | 0 | 111.6 | D74 T75 L80 G82 P83 L87 L93 | D74-F78 WeakPolarHBondContact O-CB 3.35Å; D74-F78 PolarHBondContact O-N 3.4Å; T75-F78 PolarHBondContact O-N 3.46Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3Å; F78-G82 CarbonylContact O-C 3.58Å; F78-G82 WeakPolarHBondContact O-CA 3.22Å; F78-G82 PolarHBondContact O-N 3.45Å; F78-P83 HydrophobicContact CE2-CB 4.23Å; F78-P83 HydrophobicContact CE2-CG 4.26Å; F78-P83 HydrophobicContact CZ-CG 4.49Å; F78-L87 HydrophobicContact CB-CD1 4.44Å; F78-L93 HydrophobicContact CB-CD2 4.36Å; F78-L93 HydrophobicContact CD2-CD1 3.88Å; F78-L93 HydrophobicContact CD2-CD2 3.38Å; F78-L93 HydrophobicContact CD2-CG 4.25Å; F78-L93 HydrophobicContact CE2-CD1 4.22Å; F78-L93 HydrophobicContact CE2-CD2 3.73Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; F78-L93 HydrophobicContact CG-CD2 3.93Å |
| 79 | H | 89 | Confident | 91.5 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.7 | -23.4 | -180 | -68.9 | 80.9 | 0 | 0 | 0 | 113.8 | T75 A76 V77 M107 I112 K115 | T75-H79 PolarHBondContact O-N 3.22Å; T75-H79 PolarHBondContact O-ND1 2.92Å; A76-H79 PolarHBondContact O-N 2.9Å; V77-H79 VanDerWaalsContact C-N 3.35Å; V77-H79 PolarHBondContact O-N 2.84Å; H79-M107 PolarHBondContact CD2-SD 3.43Å; H79-I112 HydrophobicContact CB-CD1 4.16Å; H79-I112 HydrophobicContact CB-CG1 3.93Å; H79-I112 HydrophobicContact CB-CG2 4.45Å; H79-K115 WeakPolarHBondContact NE2-CD 3.03Å; H79-K115 PolarHBondContact NE2-NZ 3.33Å; H79-K115 VanDerWaalsContact NE2-NZ 3.12Å |
| 80 | L | 89.2 | Confident | 91 | Very high | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -87.5 | -35.9 | 178.4 | -76.3 | 177.5 | 0 | 0 | 0 | 114 | I49 E51 I58 A76 V77 F78 I112 | I49-L80 HydrophobicContact CB-CD1 4.5Å; I49-L80 HydrophobicContact CD1-CD1 3.57Å; I49-L80 HydrophobicContact CG1-CD1 3.72Å; I49-L80 HydrophobicContact CG2-CD1 3.94Å; E51-L80 HydrophobicContact CG-CD1 3.92Å; E51-L80 HydrophobicContact CG-CD2 3.76Å; I58-L80 HydrophobicContact CD1-CD1 4.38Å; A76-L80 WeakPolarHBondContact O-CB 3.37Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.89Å; A76-L80 VanDerWaalsContact O-N 3.09Å; V77-L80 PolarHBondContact O-N 2.68Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3Å; L80-I112 HydrophobicContact CD2-CD1 3.39Å; L80-I112 HydrophobicContact CG-CD1 3.79Å |
| 81 | R | 88.2 | Confident | 90.4 | Very high | 137 Ų | 137 | 55.5 Ų | 55.5 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -112.3 | -13.4 | -172.8 | -64.4 | -176.6 | -173.5 | 179.8 | -2.6 | 113.3 | V77 A85 | V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 PolarHBondContact O-N 2.99Å; R81-A85 HydrophobicContact CB-CB 3.64Å |
| 82 | G | 85 | Confident | 89.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | 84.4 | -170.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F78 S84 A85 | F78-G82 CarbonylContact O-C 3.58Å; F78-G82 WeakPolarHBondContact O-CA 3.22Å; F78-G82 PolarHBondContact O-N 3.45Å; G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.32Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.04Å; G82-A85 VanDerWaalsContact O-N 3.16Å | ||
| 83 | P | 83.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.9 | -175.1 | -24.6 | 34.8 | 0 | 0 | 0 | 114.6 | F78 A85 | F78-P83 HydrophobicContact CE2-CB 4.23Å; F78-P83 HydrophobicContact CE2-CG 4.26Å; F78-P83 HydrophobicContact CZ-CG 4.49Å; P83-A85 PolarHBondContact O-N 3.16Å; P83-A85 VanDerWaalsContact O-N 3.1Å |
| 84 | S | 84.4 | Confident | 86.5 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 84% | 0.839 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 4.7 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | G82 | G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.32Å |
| 85 | A | 88.6 | Confident | 84.6 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 12% | 0.116 | 34% | 0.337 | C | S | . | . | trans | -75.9 | 136.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V77 R81 G82 P83 L87 | V77-A85 HydrophobicContact CG1-CB 3.53Å; R81-A85 HydrophobicContact CB-CB 3.64Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.04Å; G82-A85 VanDerWaalsContact O-N 3.16Å; P83-A85 PolarHBondContact O-N 3.16Å; P83-A85 VanDerWaalsContact O-N 3.1Å; A85-L87 HydrophobicContact CB-CD2 4.06Å; A85-L87 PolarHBondContact O-N 3.42Å; A85-L87 VanDerWaalsContact O-N 3.17Å | ||
| 86 | R | 90.1 | Very high | 82.8 | Confident | 193 Ų | 193 | 68.3 Ų | 68.3 | 73% | 0.728 | 36% | 0.356 | S | S | * | . | trans | -72.2 | 109.1 | 173.9 | -63.9 | 178.8 | 67.1 | -174 | 3.2 | 109.9 | R35 | R35-R86 VanDerWaalsContact CZ-O 3.24Å; R35-R86 VanDerWaalsContact NH1-C 3.26Å; R35-R86 PolarHBondContact NH1-O 3.24Å; R35-R86 PolarHBondContact NH2-O 3Å | ||
| 87 | L | 92.8 | Very high | 80.9 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | trans | -100.8 | 174.1 | 179.1 | -58.9 | -157.4 | 0 | 0 | 0 | 112.9 | R35 D74 V77 F78 A85 L93 | R35-L87 PolarHBondContact NH1-O 3.12Å; D74-L87 HydrophobicContact CB-CB 4.35Å; D74-L87 HydrophobicContact CB-CD1 3.95Å; D74-L87 HydrophobicContact CB-CD2 4.42Å; D74-L87 HydrophobicContact CB-CG 4.5Å; V77-L87 HydrophobicContact CB-CD2 3.64Å; V77-L87 HydrophobicContact CG1-CD2 3.38Å; F78-L87 HydrophobicContact CB-CD1 4.44Å; A85-L87 HydrophobicContact CB-CD2 4.06Å; A85-L87 PolarHBondContact O-N 3.42Å; A85-L87 VanDerWaalsContact O-N 3.17Å; L87-L93 HydrophobicContact CD1-CD1 3.35Å; L87-L93 HydrophobicContact CD1-CD2 3.56Å; L87-L93 HydrophobicContact CD1-CG 3.49Å; L87-L93 VanDerWaalsContact CD1-CG 3.49Å; L87-L93 HydrophobicContact CG-CD1 3.9Å; L87-L93 HydrophobicContact CG-CG 4.48Å | ||
| 88 | N | 93.1 | Very high | 79 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -81.6 | -36.6 | 169.1 | -62.5 | -72.8 | 0 | 0 | 0 | 111.2 | Y34 R35 D74 P90 | Y34-N88 HydrophobicContact CD1-CB 4.2Å; R35-N88 WeakPolarHBondContact CB-OD1 3.3Å; R35-N88 PolarHBondContact N-OD1 3.27Å; R35-N88 PolarHBondContact O-ND2 3.39Å; D74-N88 VanDerWaalsContact CG-N 3.27Å; D74-N88 PolarHBondContact OD1-N 2.89Å; D74-N88 PolarHBondContact OD1-ND2 3.5Å; D74-N88 WeakPolarHBondContact OD2-CA 3.39Å; D74-N88 WeakPolarHBondContact OD2-CB 3.24Å; D74-N88 PolarHBondContact OD2-N 3.47Å; N88-P90 WeakPolarHBondContact O-CD 3.4Å |
| 89 | F | 91.8 | Very high | 77.2 | Confident | 46 Ų | 46 | 82.6 Ų | 82.6 | 20% | 0.202 | 44% | 0.439 | C | S | . | . | trans | -119.6 | 79.2 | 179.9 | -52.4 | -74.5 | 0 | 0 | 0 | 110.6 | Y34 V67 A70 R71 D74 E91 L92 | Y34-F89 HydrophobicContact CD1-CZ 4.08Å; Y34-F89 AromaticContact CE1-CE1 3.92Å; Y34-F89 HydrophobicContact CE1-CE1 3.92Å; Y34-F89 AromaticContact CE1-CZ 3.61Å; Y34-F89 HydrophobicContact CE1-CZ 3.61Å; Y34-F89 AromaticContact CZ-CZ 3.92Å; V67-F89 HydrophobicContact CG1-CE2 4.43Å; V67-F89 HydrophobicContact CG1-CZ 3.96Å; A70-F89 HydrophobicContact CB-CE2 3.54Å; A70-F89 HydrophobicContact CB-CZ 4.08Å; R71-F89 HydrophobicContact CG-CD2 3.73Å; R71-F89 HydrophobicContact CG-CE2 3.65Å; D74-F89 VanDerWaalsContact OD2-CD2 3.32Å; D74-F89 WeakPolarHBondContact OD2-CD2 3.14Å; D74-F89 PolarHBondContact OD2-N 3.48Å; F89-E91 PolarHBondContact O-N 3.08Å; F89-L92 HydrophobicContact CB-CB 4.39Å; F89-L92 HydrophobicContact CB-CD1 3.62Å; F89-L92 HydrophobicContact CB-CG 3.86Å; F89-L92 HydrophobicContact CD2-CD1 4.38Å; F89-L92 HydrophobicContact CG-CD1 4.08Å; F89-L92 PolarHBondContact O-N 2.99Å | ||
| 90 | P | 86.6 | Confident | 75.5 | Confident | 88 Ų | 88 | 85.1 Ų | 85.1 | 57% | 0.571 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.9 | -179.5 | 25.3 | -33.5 | 0 | 0 | 0 | 112.7 | N88 L92 L93 | N88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-L92 PolarHBondContact O-N 3.16Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.08Å |
| 91 | E | 83.9 | Confident | 73.8 | Confident | 138 Ų | 138 | 85.7 Ų | 85.7 | 65% | 0.645 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.2 | -31.2 | 179 | -169.8 | 65.2 | -169.6 | 0 | 0 | 113.3 | F89 L93 | F89-E91 PolarHBondContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 3.04Å |
| 92 | L | 77.2 | Confident | 72.1 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.9 | -20 | -177.8 | -62.4 | -179.3 | 0 | 0 | 0 | 112.6 | R71 F89 P90 | R71-L92 HydrophobicContact CG-CD1 4.23Å; F89-L92 HydrophobicContact CB-CB 4.39Å; F89-L92 HydrophobicContact CB-CD1 3.62Å; F89-L92 HydrophobicContact CB-CG 3.86Å; F89-L92 HydrophobicContact CD2-CD1 4.38Å; F89-L92 HydrophobicContact CG-CD1 4.08Å; F89-L92 PolarHBondContact O-N 2.99Å; P90-L92 PolarHBondContact O-N 3.16Å |
| 93 | L | 67.8 | Low | 70.7 | Confident | 32 Ų | 32 | 94.8 Ų | 94.8 | 17% | 0.168 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -75 | -38.3 | 177.7 | -69.1 | -176.1 | 0 | 0 | 0 | 112.2 | F78 L87 P90 E91 Q95 D96 D97 | F78-L93 HydrophobicContact CB-CD2 4.36Å; F78-L93 HydrophobicContact CD2-CD1 3.88Å; F78-L93 HydrophobicContact CD2-CD2 3.38Å; F78-L93 HydrophobicContact CD2-CG 4.25Å; F78-L93 HydrophobicContact CE2-CD1 4.22Å; F78-L93 HydrophobicContact CE2-CD2 3.73Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; F78-L93 HydrophobicContact CG-CD2 3.93Å; L87-L93 HydrophobicContact CD1-CD1 3.35Å; L87-L93 HydrophobicContact CD1-CD2 3.56Å; L87-L93 HydrophobicContact CD1-CG 3.49Å; L87-L93 VanDerWaalsContact CD1-CG 3.49Å; L87-L93 HydrophobicContact CG-CD1 3.9Å; L87-L93 HydrophobicContact CG-CG 4.48Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 3.04Å; L93-Q95 PolarHBondContact O-N 3.24Å; L93-Q95 VanDerWaalsContact O-N 3.14Å; L93-D96 PolarHBondContact O-N 3.38Å; L93-D97 PolarHBondContact O-N 2.95Å |
| 94 | S | 59.8 | Low | 69.4 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -20 | -178.8 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | D97 | S94-D97 WeakPolarHBondContact CA-OD2 3.3Å |
| 95 | Q | 56.1 | Low | 68.4 | Low | 129 Ų | 129 | 95.7 Ų | 95.7 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21.3 | 176.5 | -63.5 | -173.6 | -34.9 | 0 | 0 | 113.1 | L93 | L93-Q95 PolarHBondContact O-N 3.24Å; L93-Q95 VanDerWaalsContact O-N 3.14Å |
| 96 | D | 54.8 | Low | 67.6 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -7.1 | -176.3 | -72.6 | -29.1 | 0 | 0 | 0 | 112.7 | L93 D98 V99 | L93-D96 PolarHBondContact O-N 3.38Å; D96-D98 PolarHBondContact O-N 3.47Å; D96-D98 VanDerWaalsContact O-N 3.14Å; D96-V99 PolarHBondContact O-N 3.04Å |
| 97 | D | 52.9 | Low | 67.2 | Low | 81 Ų | 81 | 98 Ų | 98 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.1 | -179.2 | -74.3 | -43.5 | 0 | 0 | 0 | 113 | L93 S94 T101 | L93-D97 PolarHBondContact O-N 2.95Å; S94-D97 WeakPolarHBondContact CA-OD2 3.3Å; D97-T101 PolarHBondContact O-OG1 3.48Å |
| 98 | D | 53.2 | Low | 67.1 | Low | 150 Ų | 150 | 100.5 Ų | 100.5 | 80% | 0.802 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.2 | -178.9 | -76.6 | -48.8 | 0 | 0 | 0 | 115.4 | D96 | D96-D98 PolarHBondContact O-N 3.47Å; D96-D98 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 54 | Low | 67 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -10.2 | -167 | -159.8 | 0 | 0 | 0 | 0 | 116.2 | D96 | D96-V99 PolarHBondContact O-N 3.04Š|
| 100 | S | 52.1 | Low | 67.1 | Low | 102 Ų | 102 | 103.1 Ų | 103.1 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -156.2 | 12.5 | -178.1 | -76.6 | 0 | 0 | 0 | 0 | 117.8 | Q102 | S100-Q102 PolarHBondContact O-N 2.79Š|
| 101 | T | 54.6 | Low | 67.4 | Low | 55 Ų | 55 | 101.1 Ų | 101.1 | 34% | 0.337 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -7.9 | -175.8 | -51.5 | 0 | 0 | 0 | 0 | 114.7 | D97 | D97-T101 PolarHBondContact O-OG1 3.48Š|
| 102 | Q | 53 | Low | 67.8 | Low | 192 Ų | 192 | 94.6 Ų | 94.6 | 90% | 0.897 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.4 | -171.4 | -68.3 | -167.1 | -15.4 | 0 | 0 | 117.1 | S100 | S100-Q102 PolarHBondContact O-N 2.79Š|
| 103 | Q | 54.5 | Low | 68.6 | Low | 157 Ų | 157 | 95.3 Ų | 95.3 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | trans | -108.5 | 64.8 | 168.6 | -66.8 | -170.1 | 16.9 | 0 | 0 | 111.7 | G105 M107 | Q103-G105 PolarHBondContact O-N 3.33Å; Q103-M107 HydrophobicContact CB-CE 4.42Å | ||
| 104 | Q | 56 | Low | 69.9 | Low | 164 Ų | 164 | 101.6 Ų | 101.6 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | trans | -71.7 | 29.3 | 170.3 | -67.9 | -178.6 | -16.5 | 0 | 0 | 113.4 | ||||
| 105 | G | 62.9 | Low | 71.6 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -78.5 | 134.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q103 M107 | Q103-G105 PolarHBondContact O-N 3.33Å; G105-M107 PolarHBondContact O-N 3.22Å |
| 106 | K | 71.8 | Confident | 73.4 | Confident | 216 Ų | 216 | 95 Ų | 95 | 94% | 0.939 | 50% | 0.503 | S | S | * | . | trans | -52.5 | 99.4 | 172.1 | -68.3 | 175.6 | -178 | 172.9 | 0 | 109 | ||||
| 107 | M | 82.3 | Confident | 75.4 | Confident | 41 Ų | 41 | 92.7 Ų | 92.7 | 20% | 0.202 | 49% | 0.493 | C | S | . | . | trans | -64.6 | 144.2 | -178.9 | -68.3 | -167.9 | -174.2 | 0 | 0 | 109.7 | H79 Q103 G105 I112 K115 | H79-M107 PolarHBondContact CD2-SD 3.43Å; Q103-M107 HydrophobicContact CB-CE 4.42Å; G105-M107 PolarHBondContact O-N 3.22Å; M107-I112 HydrophobicContact CB-CD1 4.23Å; M107-I112 HydrophobicContact CB-CG1 3.76Å; M107-K115 HydrophobicContact SD-CD 4.13Å; M107-K115 PolarHBondContact SD-NZ 2.9Å | ||
| 108 | S | 90.7 | Very high | 77.4 | Confident | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -62.6 | 152.6 | 174.3 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | D110 S111 I112 | S108-D110 PolarHBondContact O-N 3.2Å; S108-D110 VanDerWaalsContact O-N 3.13Å; S108-S111 WeakPolarHBondContact O-CB 3.49Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 WeakPolarHBondContact OG-CB 3.31Å; S108-S111 PolarHBondContact OG-N 2.82Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.86Å | ||
| 109 | A | 90.9 | Very high | 79.4 | Confident | 28 Ų | 28 | 90.1 Ų | 90.1 | 23% | 0.231 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -54.3 | -34.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I58 R113 | I58-A109 HydrophobicContact CD1-CB 3.82Å; I58-A109 HydrophobicContact CG1-CB 4.1Å; A109-R113 WeakPolarHBondContact O-CB 3.25Å; A109-R113 PolarHBondContact O-N 2.89Å |
| 110 | D | 93.1 | Very high | 81.5 | Confident | 106 Ų | 106 | 84.4 Ų | 84.4 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.5 | -36.1 | 178.2 | -60.3 | -46.9 | 0 | 0 | 0 | 112.9 | S108 R113 K114 | S108-D110 PolarHBondContact O-N 3.2Å; S108-D110 VanDerWaalsContact O-N 3.13Å; D110-R113 PolarHBondContact O-N 2.97Å; D110-R113 IonicContact OD1-NE 3.02Å; D110-R113 IonicContact OD1-NH2 3.67Å; D110-K114 WeakPolarHBondContact O-CB 3.47Å; D110-K114 PolarHBondContact O-N 2.95Å |
| 111 | S | 93.7 | Very high | 83.5 | Confident | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | S108 R113 K114 K115 | S108-S111 WeakPolarHBondContact O-CB 3.49Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 WeakPolarHBondContact OG-CB 3.31Å; S108-S111 PolarHBondContact OG-N 2.82Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 2.96Å; S111-K114 PolarHBondContact O-N 3.16Å; S111-K115 PolarHBondContact O-N 3.1Å |
| 112 | I | 92.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.6 | -64.1 | 176.5 | 0 | 0 | 0 | 110.6 | A76 H79 L80 M107 S108 K115 A116 | A76-I112 HydrophobicContact CB-CG2 3.76Å; H79-I112 HydrophobicContact CB-CD1 4.16Å; H79-I112 HydrophobicContact CB-CG1 3.93Å; H79-I112 HydrophobicContact CB-CG2 4.45Å; L80-I112 HydrophobicContact CD2-CD1 3.39Å; L80-I112 HydrophobicContact CG-CD1 3.79Å; M107-I112 HydrophobicContact CB-CD1 4.23Å; M107-I112 HydrophobicContact CB-CG1 3.76Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.86Å; I112-K115 PolarHBondContact O-N 3.1Å; I112-A116 VanDerWaalsContact O-CB 3.32Å; I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.47Å |
| 113 | R | 94.8 | Very high | 87.5 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 28% | 0.279 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.5 | -51 | 175.4 | -171.2 | -167.1 | -42.3 | -97 | 4.5 | 111.1 | I58 W59 A109 D110 S111 K115 A116 T117 | I58-R113 HydrophobicContact CG2-CB 4.16Å; I58-R113 HydrophobicContact CG2-CG 4.49Å; W59-R113 WeakPolarHBondContact O-CG 3.33Å; W59-R113 PolarHBondContact O-NH1 2.81Å; A109-R113 WeakPolarHBondContact O-CB 3.25Å; A109-R113 PolarHBondContact O-N 2.89Å; D110-R113 PolarHBondContact O-N 2.97Å; D110-R113 IonicContact OD1-NE 3.02Å; D110-R113 IonicContact OD1-NH2 3.67Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 2.96Å; R113-K115 VanDerWaalsContact C-N 3.35Å; R113-K115 PolarHBondContact O-N 3.23Å; R113-A116 PolarHBondContact O-N 3.38Å; R113-T117 WeakPolarHBondContact O-CB 3.47Å; R113-T117 PolarHBondContact O-N 3.14Å; R113-T117 PolarHBondContact O-OG1 3.36Å |
| 114 | K | 95.2 | Very high | 89.5 | Confident | 164 Ų | 164 | 73.4 Ų | 73.4 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.4 | -47.6 | -178.5 | -174.2 | 177.2 | -179.5 | 179.4 | 0 | 111.5 | D110 S111 T117 Q118 | D110-K114 WeakPolarHBondContact O-CB 3.47Å; D110-K114 PolarHBondContact O-N 2.95Å; S111-K114 PolarHBondContact O-N 3.16Å; K114-T117 PolarHBondContact O-N 3.23Å; K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 2.74Å |
| 115 | K | 93.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 30% | 0.3 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 176.6 | -75.7 | -173.9 | 169.6 | -173 | 0 | 112.3 | T75 H79 M107 S111 I112 R113 T117 Q118 V119 | T75-K115 HydrophobicContact CG2-CB 4.2Å; H79-K115 WeakPolarHBondContact NE2-CD 3.03Å; H79-K115 PolarHBondContact NE2-NZ 3.33Å; H79-K115 VanDerWaalsContact NE2-NZ 3.12Å; M107-K115 HydrophobicContact SD-CD 4.13Å; M107-K115 PolarHBondContact SD-NZ 2.9Å; S111-K115 PolarHBondContact O-N 3.1Å; I112-K115 PolarHBondContact O-N 3.1Å; R113-K115 VanDerWaalsContact C-N 3.35Å; R113-K115 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact C-N 3.34Å; K115-T117 PolarHBondContact O-N 3.49Å; K115-Q118 PolarHBondContact O-N 3.01Å; K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 3.26Å |
| 116 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L60 Y63 A72 A76 I112 R113 V119 G120 | L60-A116 HydrophobicContact CB-CB 4.24Å; L60-A116 HydrophobicContact CD2-CB 3.89Å; L60-A116 HydrophobicContact CG-CB 4.44Å; Y63-A116 PolarHBondContact OH-O 3.14Å; A72-A116 HydrophobicContact CB-CB 4.35Å; A72-A116 VanDerWaalsContact CB-O 3.31Å; A72-A116 WeakPolarHBondContact CB-O 3.44Å; A72-A116 VanDerWaalsContact O-CB 3.3Å; A72-A116 WeakPolarHBondContact O-CB 3.48Å; A76-A116 HydrophobicContact CB-CB 4.27Å; I112-A116 VanDerWaalsContact O-CB 3.32Å; I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.47Å; R113-A116 PolarHBondContact O-N 3.38Å; A116-V119 PolarHBondContact O-N 3.33Å; A116-G120 PolarHBondContact O-N 3.34Å |
| 117 | T | 96.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | L60 R113 K114 K115 G120 A121 | L60-T117 PolarHBondContact O-OG1 2.88Å; R113-T117 WeakPolarHBondContact O-CB 3.47Å; R113-T117 PolarHBondContact O-N 3.14Å; R113-T117 PolarHBondContact O-OG1 3.36Å; K114-T117 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact C-N 3.34Å; K115-T117 PolarHBondContact O-N 3.49Å; T117-G120 PolarHBondContact O-N 3.46Å; T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.91Å |
| 118 | Q | 96 | Very high | 94.2 | Very high | 141 Ų | 141 | 62.8 Ų | 62.8 | 66% | 0.659 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 177.9 | -176.1 | -176.7 | 15.7 | 0 | 0 | 111.9 | K114 K115 A121 R122 | K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 2.74Å; K115-Q118 PolarHBondContact O-N 3.01Å; Q118-A121 PolarHBondContact O-N 3.43Å; Q118-R122 PolarHBondContact O-N 3Å; Q118-R122 VanDerWaalsContact O-N 3.08Å |
| 119 | V | 95.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -55.8 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | R71 T75 K115 A116 A121 R122 V123 | R71-V119 HydrophobicContact CB-CG1 4.09Å; T75-V119 HydrophobicContact CG2-CG2 4.23Å; K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 3.26Å; A116-V119 PolarHBondContact O-N 3.33Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.45Å; V119-R122 PolarHBondContact O-N 3Å; V119-R122 VanDerWaalsContact O-N 3.16Å; V119-V123 HydrophobicContact CG1-CG2 4.2Å; V119-V123 WeakPolarHBondContact O-CG2 3.32Å; V119-V123 PolarHBondContact O-N 3.06Å |
| 120 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y63 A68 A116 T117 R122 V123 D124 | Y63-G120 VanDerWaalsContact CE1-CA 3.46Å; A68-G120 WeakPolarHBondContact CB-O 3.49Å; A116-G120 PolarHBondContact O-N 3.34Å; T117-G120 PolarHBondContact O-N 3.46Å; G120-R122 PolarHBondContact O-N 3.27Å; G120-V123 PolarHBondContact O-N 2.97Å; G120-D124 WeakPolarHBondContact O-CB 3.37Å; G120-D124 PolarHBondContact O-N 2.83Å |
| 121 | A | 95.7 | Very high | 93.7 | Very high | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T117 Q118 V119 V123 D124 A125 | T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.91Å; Q118-A121 PolarHBondContact O-N 3.43Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.45Å; A121-V123 PolarHBondContact O-N 3.44Å; A121-D124 PolarHBondContact O-N 2.95Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.48Å |
| 122 | R | 95.4 | Very high | 93.2 | Very high | 186 Ų | 186 | 69.2 Ų | 69.2 | 70% | 0.702 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 175.4 | -178.7 | 179.8 | 174.7 | -173.3 | -1.5 | 111.5 | Q118 V119 G120 L126 | Q118-R122 PolarHBondContact O-N 3Å; Q118-R122 VanDerWaalsContact O-N 3.08Å; V119-R122 PolarHBondContact O-N 3Å; V119-R122 VanDerWaalsContact O-N 3.16Å; G120-R122 PolarHBondContact O-N 3.27Å; R122-L126 HydrophobicContact CG-CD1 4.31Å; R122-L126 WeakPolarHBondContact O-CG 3.39Å; R122-L126 PolarHBondContact O-N 2.94Å; R122-L126 VanDerWaalsContact O-N 3.16Å |
| 123 | V | 95.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179 | -167.1 | 0 | 0 | 0 | 0 | 111.1 | V67 A68 R71 V119 G120 A121 A125 L126 Q127 | V67-V123 HydrophobicContact CG1-CG1 4.16Å; A68-V123 HydrophobicContact CB-CB 3.81Å; A68-V123 HydrophobicContact CB-CG1 4.07Å; R71-V123 HydrophobicContact CB-CG2 3.98Å; R71-V123 HydrophobicContact CG-CG2 4.38Å; R71-V123 VanDerWaalsContact CZ-CG2 3.44Å; V119-V123 HydrophobicContact CG1-CG2 4.2Å; V119-V123 WeakPolarHBondContact O-CG2 3.32Å; V119-V123 PolarHBondContact O-N 3.06Å; G120-V123 PolarHBondContact O-N 2.97Å; A121-V123 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.5Å; V123-L126 PolarHBondContact O-N 3.03Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 PolarHBondContact O-N 3.15Å |
| 124 | D | 95.8 | Very high | 91.2 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | -176.7 | -153 | 50.3 | 0 | 0 | 0 | 110.6 | Y63 A64 T65 A68 G120 A121 T128 | Y63-D124 HydrophobicContact CD1-CB 4.23Å; A64-D124 WeakPolarHBondContact CB-OD1 3.45Å; A64-D124 PolarHBondContact N-OD1 3.08Å; A64-D124 PolarHBondContact N-OD2 3.08Å; T65-D124 PolarHBondContact N-OD1 3.34Å; T65-D124 PolarHBondContact OG1-OD1 2.9Å; A68-D124 HydrophobicContact CB-CB 3.7Å; G120-D124 WeakPolarHBondContact O-CB 3.37Å; G120-D124 PolarHBondContact O-N 2.83Å; A121-D124 PolarHBondContact O-N 2.95Å; D124-T128 WeakPolarHBondContact O-CB 3.5Å; D124-T128 PolarHBondContact O-N 2.88Å; D124-T128 PolarHBondContact O-OG1 3.09Å |
| 125 | A | 94.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A121 V123 T128 A129 | A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.48Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.5Å; A125-T128 PolarHBondContact O-N 3.41Å; A125-A129 VanDerWaalsContact O-CB 3.28Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.45Å |
| 126 | L | 94.5 | Very high | 87.7 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 179.5 | -70.5 | 173.9 | 0 | 0 | 0 | 112 | R122 V123 A129 L130 | R122-L126 HydrophobicContact CG-CD1 4.31Å; R122-L126 WeakPolarHBondContact O-CG 3.39Å; R122-L126 PolarHBondContact O-N 2.94Å; R122-L126 VanDerWaalsContact O-N 3.16Å; V123-L126 PolarHBondContact O-N 3.03Å; L126-A129 PolarHBondContact O-N 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.82Å |
| 127 | Q | 92.7 | Very high | 85.6 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 23% | 0.229 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.1 | -35.7 | -177.7 | -171.3 | 171.3 | -3.5 | 0 | 0 | 112.1 | T65 V123 L130 Q131 | T65-Q127 VanDerWaalsContact CB-OE1 3.27Å; T65-Q127 HydrophobicContact CG2-CB 3.97Å; T65-Q127 VanDerWaalsContact CG2-CD 3.48Å; T65-Q127 HydrophobicContact CG2-CG 3.7Å; T65-Q127 PolarHBondContact OG1-OE1 2.82Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 PolarHBondContact O-N 3.15Å; Q127-L130 PolarHBondContact O-N 3.25Å; Q127-Q131 WeakPolarHBondContact O-CG 3.41Å; Q127-Q131 PolarHBondContact O-N 3.34Å; Q127-Q131 VanDerWaalsContact O-N 3.12Å |
| 128 | T | 90.9 | Very high | 83.6 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 173 | -56 | 0 | 0 | 0 | 0 | 110.9 | D124 A125 L130 Q131 Q132 | D124-T128 WeakPolarHBondContact O-CB 3.5Å; D124-T128 PolarHBondContact O-N 2.88Å; D124-T128 PolarHBondContact O-OG1 3.09Å; A125-T128 PolarHBondContact O-N 3.41Å; T128-L130 PolarHBondContact O-N 3.22Å; T128-Q131 PolarHBondContact O-N 2.97Å; T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.47Å |
| 129 | A | 91 | Very high | 81.7 | Confident | 48 Ų | 48 | 79 Ų | 79 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A125 L126 Q132 S133 | A125-A129 VanDerWaalsContact O-CB 3.28Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.45Å; L126-A129 PolarHBondContact O-N 3.42Å; A129-Q132 PolarHBondContact O-N 3.02Å; A129-S133 PolarHBondContact O-N 3.45Å; A129-S133 PolarHBondContact O-OG 3.22Å |
| 130 | L | 89.2 | Confident | 79.5 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 63% | 0.628 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.6 | -36.8 | 174.7 | -71.1 | 170.1 | 0 | 0 | 0 | 112.7 | L126 Q127 T128 S133 S134 | L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.82Å; Q127-L130 PolarHBondContact O-N 3.25Å; T128-L130 PolarHBondContact O-N 3.22Å; L130-S133 PolarHBondContact O-OG 3.12Å; L130-S134 PolarHBondContact O-N 3.38Å |
| 131 | Q | 84.4 | Confident | 77.3 | Confident | 104 Ų | 104 | 88 Ų | 88 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 174 | -71 | 173.4 | 6.2 | 0 | 0 | 110.9 | Q127 T128 S134 S135 | Q127-Q131 WeakPolarHBondContact O-CG 3.41Å; Q127-Q131 PolarHBondContact O-N 3.34Å; Q127-Q131 VanDerWaalsContact O-N 3.12Å; T128-Q131 PolarHBondContact O-N 2.97Å; Q131-S134 PolarHBondContact O-N 2.93Å; Q131-S134 PolarHBondContact O-OG 3.35Å; Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 3.29Å |
| 132 | Q | 81.9 | Confident | 75.1 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 175.5 | -73.3 | 174.1 | -9 | 0 | 0 | 111.4 | T128 A129 S134 S135 T136 | T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.47Å; A129-Q132 PolarHBondContact O-N 3.02Å; Q132-S134 VanDerWaalsContact C-N 3.29Å; Q132-S134 PolarHBondContact O-N 2.97Å; Q132-S135 CarbonylContact O-C 3.52Å; Q132-S135 WeakPolarHBondContact O-CA 3.47Å; Q132-S135 PolarHBondContact O-N 2.97Å; Q132-S135 PolarHBondContact O-OG 3.05Å; Q132-T136 WeakPolarHBondContact O-CB 3.36Å; Q132-T136 WeakPolarHBondContact O-CG2 3.29Å; Q132-T136 PolarHBondContact O-N 3.01Å; Q132-T136 PolarHBondContact O-OG1 3.02Å |
| 133 | S | 77.3 | Confident | 73.1 | Confident | 57 Ų | 57 | 89 Ų | 89 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -36.8 | -179.6 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | A129 L130 S135 T136 | A129-S133 PolarHBondContact O-N 3.45Å; A129-S133 PolarHBondContact O-OG 3.22Å; L130-S133 PolarHBondContact O-OG 3.12Å; S133-S135 PolarHBondContact O-N 2.96Å; S133-T136 WeakPolarHBondContact CA-OG1 3.36Å; S133-T136 PolarHBondContact O-N 2.8Å |
| 134 | S | 67.8 | Low | 71.1 | Confident | 89 Ų | 89 | 92.9 Ų | 92.9 | 62% | 0.622 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -24 | 174.6 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | L130 Q131 Q132 | L130-S134 PolarHBondContact O-N 3.38Å; Q131-S134 PolarHBondContact O-N 2.93Å; Q131-S134 PolarHBondContact O-OG 3.35Å; Q132-S134 VanDerWaalsContact C-N 3.29Å; Q132-S134 PolarHBondContact O-N 2.97Å |
| 135 | S | 59.6 | Low | 69 | Low | 83 Ų | 83 | 95.9 Ų | 95.9 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -96.8 | -12.4 | 177.2 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | Q131 Q132 S133 | Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 3.29Å; Q132-S135 CarbonylContact O-C 3.52Å; Q132-S135 WeakPolarHBondContact O-CA 3.47Å; Q132-S135 PolarHBondContact O-N 2.97Å; Q132-S135 PolarHBondContact O-OG 3.05Å; S133-S135 PolarHBondContact O-N 2.96Å |
| 136 | T | 56.4 | Low | 66.6 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | trans | -116.5 | 29.6 | -169.9 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | Q132 S133 S138 I139 | Q132-T136 WeakPolarHBondContact O-CB 3.36Å; Q132-T136 WeakPolarHBondContact O-CG2 3.29Å; Q132-T136 PolarHBondContact O-N 3.01Å; Q132-T136 PolarHBondContact O-OG1 3.02Å; S133-T136 WeakPolarHBondContact CA-OG1 3.36Å; S133-T136 PolarHBondContact O-N 2.8Å; T136-S138 PolarHBondContact O-N 3.45Å; T136-I139 PolarHBondContact O-N 2.76Å | ||
| 137 | H | 51.3 | Low | 65 | Low | 181 Ų | 181 | 106.3 Ų | 106.3 | 84% | 0.838 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 20.5 | 162.3 | -76.6 | -61.2 | 0 | 0 | 0 | 114.2 | ||
| 138 | S | 54.4 | Low | 63.8 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.6 | 5.3 | -179.3 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | T136 | T136-S138 PolarHBondContact O-N 3.45Š|
| 139 | I | 56.3 | Low | 62.7 | Low | 135 Ų | 135 | 116.1 Ų | 116.1 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -133.8 | 115.5 | 176.7 | -55 | 179.4 | 0 | 0 | 0 | 111.4 | T136 | T136-I139 PolarHBondContact O-N 2.76Š|
| 140 | S | 49 | Very low | 61.8 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -46.6 | 134.6 | 179.2 | -157.9 | 0 | 0 | 0 | 0 | 113.5 | S142 | S140-S142 VanDerWaalsContact C-N 3.31Å; S140-S142 PolarHBondContact O-N 2.9Å | ||
| 141 | S | 49 | Very low | 61.2 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -66.4 | 84.8 | 170.9 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | H143 | S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 2.76Å | ||
| 142 | S | 49.7 | Very low | 60.8 | Low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -72.5 | 93.2 | 162.9 | 57.2 | 0 | 0 | 0 | 0 | 108.2 | S140 V144 | S140-S142 VanDerWaalsContact C-N 3.31Å; S140-S142 PolarHBondContact O-N 2.9Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.98Å | ||
| 143 | H | 53.4 | Low | 60.7 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -62.2 | 94.1 | 165.7 | 178.3 | -84.9 | 0 | 0 | 0 | 108 | S141 S145 | S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 2.76Å; H143-S145 PolarHBondContact O-N 2.79Å; H143-S145 VanDerWaalsContact O-N 3.11Å | ||
| 144 | V | 54 | Low | 60.7 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | trans | -73.7 | 99.9 | 165.3 | -172.2 | 0 | 0 | 0 | 0 | 105.6 | S142 Y146 | S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.98Å; V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 HydrophobicContact CB-CD2 4.46Å; V144-Y146 HydrophobicContact CB-CE2 4.1Å; V144-Y146 HydrophobicContact CG1-CD2 4.17Å; V144-Y146 HydrophobicContact CG1-CE2 3.79Å; V144-Y146 PolarHBondContact O-N 3.31Å | ||
| 145 | S | 51.6 | Low | 61 | Low | 91 Ų | 91 | 130.8 Ų | 130.8 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | -62.8 | 96 | 167.1 | 43.7 | 0 | 0 | 0 | 0 | 108.1 | H143 E147 | H143-S145 PolarHBondContact O-N 2.79Å; H143-S145 VanDerWaalsContact O-N 3.11Å; S145-E147 PolarHBondContact O-N 3.02Å | ||
| 146 | Y | 45.2 | Very low | 61.9 | Low | 198 Ų | 198 | 134.3 Ų | 134.3 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -74.2 | 102.8 | 156.6 | -70 | -82.3 | 0 | 0 | 0 | 106 | V144 K148 | V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 HydrophobicContact CB-CD2 4.46Å; V144-Y146 HydrophobicContact CB-CE2 4.1Å; V144-Y146 HydrophobicContact CG1-CD2 4.17Å; V144-Y146 HydrophobicContact CG1-CE2 3.79Å; V144-Y146 PolarHBondContact O-N 3.31Å; Y146-K148 PolarHBondContact O-N 3.13Å | ||
| 147 | E | 59.5 | Low | 63 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 116.2 | 153.3 | -92.7 | -103.9 | 122.3 | 0 | 0 | 106.1 | S145 P149 | S145-E147 PolarHBondContact O-N 3.02Å; E147-P149 WeakPolarHBondContact O-CD 3.22Å; E147-P149 VanDerWaalsContact O-N 3.15Å |
| 148 | K | 67.9 | Low | 64.3 | Low | 192 Ų | 192 | 137.6 Ų | 137.6 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.9 | 178.7 | -129 | 164.3 | 177.7 | 177.3 | 0 | 105.2 | Y146 D150 | Y146-K148 PolarHBondContact O-N 3.13Å; K148-D150 PolarHBondContact O-N 2.91Å; K148-D150 VanDerWaalsContact O-N 3.08Å |
| 149 | P | 67.1 | Low | 65.3 | Low | 103 Ų | 103 | 144.1 Ų | 144.1 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 123.4 | 179 | 21.9 | -30.8 | 0 | 0 | 0 | 107.5 | E147 L151 | E147-P149 WeakPolarHBondContact O-CD 3.22Å; E147-P149 VanDerWaalsContact O-N 3.15Å; P149-L151 PolarHBondContact O-N 2.78Å |
| 150 | D | 73.4 | Confident | 65.8 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 54% | 0.535 | 76% | 0.76 | S | S | . | * | trans | -64.9 | 105.3 | 177.4 | -175.9 | 2.4 | 0 | 0 | 0 | 107.6 | K148 N152 E153 | K148-D150 PolarHBondContact O-N 2.91Å; K148-D150 VanDerWaalsContact O-N 3.08Å; D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 3.19Å; D150-E153 HydrophobicContact CB-CB 4.38Å; D150-E153 PolarHBondContact O-N 3.4Å | ||
| 151 | L | 75 | Confident | 66.6 | Low | 164 Ų | 164 | 146.4 Ų | 146.4 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -2.8 | -179.7 | -65.3 | 174.9 | 0 | 0 | 0 | 112.5 | P149 | P149-L151 PolarHBondContact O-N 2.78Š|
| 152 | N | 77.8 | Confident | 67.6 | Low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -0.8 | 170.6 | -60.8 | -40.9 | 0 | 0 | 0 | 113.5 | D150 Y154 | D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 3.19Å; N152-Y154 PolarHBondContact O-N 3.24Å |
| 153 | E | 79.1 | Confident | 68.7 | Low | 118 Ų | 118 | 150.9 Ų | 150.9 | 55% | 0.551 | 76% | 0.761 | S | S | * | * | trans | -73.9 | 110.8 | 175.4 | -163.5 | 173.6 | 179.9 | 0 | 0 | 109.4 | D150 K156 | D150-E153 HydrophobicContact CB-CB 4.38Å; D150-E153 PolarHBondContact O-N 3.4Å; E153-K156 IonicContact OE1-NZ 3.76Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å | ||
| 154 | Y | 76.6 | Confident | 69.6 | Low | 206 Ų | 206 | 150.6 Ų | 150.6 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 142.1 | 174.1 | -81.5 | -89 | 0 | 0 | 0 | 110.2 | N152 K156 | N152-Y154 PolarHBondContact O-N 3.24Å; Y154-K156 PolarHBondContact O-N 2.78Å |
| 155 | P | 75.6 | Confident | 70.7 | Confident | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.6 | 179.2 | 24.1 | -32.3 | 0 | 0 | 0 | 110 | ||
| 156 | K | 78.1 | Confident | 72 | Confident | 158 Ų | 158 | 159.1 Ų | 159.1 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 133.9 | 176.5 | -75.1 | 172.5 | 177.2 | 131.9 | 0 | 109.1 | E153 Y154 E158 | E153-K156 IonicContact OE1-NZ 3.76Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å; Y154-K156 PolarHBondContact O-N 2.78Å; K156-E158 PolarHBondContact O-N 3.24Å |
| 157 | P | 80 | Confident | 74.1 | Confident | 120 Ų | 120 | 156.1 Ų | 156.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.5 | 171.7 | 27.9 | -32.1 | 0 | 0 | 0 | 108.8 | ||
| 158 | E | 77.6 | Confident | 75.3 | Confident | 195 Ų | 195 | 154 Ų | 154 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 121.9 | 177 | 38.4 | -148.6 | 147 | 0 | 0 | 109.5 | K156 | K156-E158 PolarHBondContact O-N 3.24Š|
| 159 | D | 75.8 | Confident | 76 | Confident | 241 Ų | 241 | 150.5 Ų | 150.5 | 100% | 1.289 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 0 | 178.2 | -74.6 | -52 | 0 | 0 | 0 | 112.8 |
Retrieved 159 of 159 residues in 124 ms
(Link to these results)