| 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 | N | 30.2 | Very low | 63.4 | Low | 209 Ų | 209 | 117 Ų | 117 | 100% | 1.118 | 67% | 0.668 | S | S | * | * | 0 | 70.8 | 0 | 44.8 | -4.8 | 0 | 0 | 0 | 107.8 | A3 | N1-A3 PolarHBondContact O-N 3.05Š| |||
| 2 | T | 37.5 | Very low | 66 | Low | 144 Ų | 144 | 111.3 Ų | 111.3 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -80.3 | 119.8 | -179.7 | -47.7 | 0 | 0 | 0 | 0 | 107.5 | A4 | T2-A4 PolarHBondContact O-N 3.19Š| ||
| 3 | A | 37.5 | Very low | 68.3 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 81% | 0.81 | 62% | 0.616 | S | S | * | * | trans | -66.7 | 80.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1 S5 | N1-A3 PolarHBondContact O-N 3.05Å; A3-S5 PolarHBondContact O-N 2.83Å | ||
| 4 | A | 44.7 | Very low | 70.2 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 69% | 0.694 | 62% | 0.621 | S | S | * | * | trans | -65 | 98.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | T2 L6 | T2-A4 PolarHBondContact O-N 3.19Å; A4-L6 PolarHBondContact O-N 3.31Å | ||
| 5 | S | 49.1 | Very low | 71.9 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | trans | -47.6 | 116.2 | 166 | 47.1 | 0 | 0 | 0 | 0 | 106.6 | A3 Q7 | A3-S5 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact O-N 2.97Å | ||
| 6 | L | 57.4 | Low | 73.3 | Confident | 178 Ų | 178 | 95.4 Ų | 95.4 | 93% | 0.932 | 54% | 0.544 | S | S | * | . | trans | -68.9 | 59 | 171.1 | -74.1 | 170.3 | 0 | 0 | 0 | 108.5 | A4 Q8 | A4-L6 PolarHBondContact O-N 3.31Å; L6-Q8 PolarHBondContact O-N 2.77Å; L6-Q8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | Q | 69.4 | Low | 74.6 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | trans | -68.3 | 108.6 | 173.5 | -115.6 | 173.5 | 1.4 | 0 | 0 | 105.8 | S5 W9 S60 | S5-Q7 PolarHBondContact O-N 2.97Å; Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.23Å; Q7-W9 PolarHBondContact O-N 3.34Å; Q7-W9 VanDerWaalsContact OE1-CZ2 3.29Å; Q7-S60 PolarHBondContact OE1-OG 3.33Å | ||
| 8 | Q | 87.9 | Confident | 75.7 | Confident | 177 Ų | 177 | 88.5 Ų | 88.5 | 83% | 0.827 | 50% | 0.503 | S | S | * | . | trans | -72.1 | 89.3 | 171.7 | -174.3 | 126.5 | 52.6 | 0 | 0 | 108 | L6 | L6-Q8 PolarHBondContact O-N 2.77Å; L6-Q8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | W | 92.8 | Very high | 76.6 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 10% | 0.102 | 49% | 0.486 | C | S | . | . | trans | -60.5 | 135.7 | 179.2 | -66.7 | 119 | 0 | 0 | 0 | 111.6 | Q7 D13 C15 I30 I33 L55 L58 L59 | Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.23Å; Q7-W9 PolarHBondContact O-N 3.34Å; Q7-W9 VanDerWaalsContact OE1-CZ2 3.29Å; W9-D13 HydrophobicContact CE3-CB 3.97Å; W9-D13 HydrophobicContact CZ3-CB 4.21Å; W9-C15 HydrophobicContact CH2-CB 3.75Å; W9-C15 HydrophobicContact CZ3-CB 3.78Å; W9-I30 HydrophobicContact CB-CD1 3.72Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.52Å; W9-I30 HydrophobicContact CG-CD1 3.95Å; W9-I30 HydrophobicContact CZ3-CD1 4.33Å; W9-I33 HydrophobicContact CB-CD1 4.25Å; W9-I33 VanDerWaalsContact O-CD1 3.26Å; W9-I33 WeakPolarHBondContact O-CD1 3.46Å; W9-L55 HydrophobicContact CB-CD2 3.97Å; W9-L55 HydrophobicContact CG-CD2 4.27Å; W9-L55 PolarHBondContact NE1-O 3.47Å; W9-L55 VanDerWaalsContact NE1-O 3.16Å; W9-L58 HydrophobicContact CD2-CD1 3.89Å; W9-L58 HydrophobicContact CE3-CD1 4.48Å; W9-L58 HydrophobicContact CG-CD1 3.99Å; W9-L58 HydrophobicContact CH2-CB 4.4Å; W9-L58 HydrophobicContact CZ2-CB 3.58Å; W9-L58 HydrophobicContact CZ2-CD1 4.34Å; W9-L59 WeakPolarHBondContact CH2-O 3.37Å | ||
| 10 | K | 94.1 | Very high | 77.3 | Confident | 129 Ų | 129 | 86.4 Ų | 86.4 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | trans | -127.7 | 158.1 | 169.9 | 59.3 | 177.6 | 178.6 | -53.3 | 0 | 111.2 | G12 D13 I33 | K10-G12 PolarHBondContact O-N 3.27Å; K10-D13 WeakPolarHBondContact CE-OD1 3.39Å; K10-D13 VanDerWaalsContact CG-CG 3.42Å; K10-D13 VanDerWaalsContact CG-OD1 3.29Å; K10-D13 WeakPolarHBondContact CG-OD1 3.47Å; K10-D13 WeakPolarHBondContact CG-OD2 3.28Å; K10-D13 PolarHBondContact N-OD2 2.91Å; K10-D13 IonicContact NZ-OD1 2.64Å; K10-D13 PolarHBondContact NZ-OD1 3.07Å; K10-D13 IonicContact NZ-OD2 3.39Å; K10-D13 PolarHBondContact NZ-OD2 2.98Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 2.94Å; K10-I33 VanDerWaalsContact CA-CD1 3.5Å | ||
| 11 | V | 96.4 | Very high | 77.9 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.9 | 172.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | A31 I33 | V11-A31 VanDerWaalsContact CG1-O 3.28Å; V11-A31 WeakPolarHBondContact CG1-O 3.34Å; V11-I33 HydrophobicContact CG2-CD1 4.33Å; V11-I33 HydrophobicContact CG2-CG1 4.07Å |
| 12 | G | 95.6 | Very high | 80.8 | Confident | 48 Ų | 48 | 83.1 Ų | 83.1 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K10 I30 | K10-G12 PolarHBondContact O-N 3.27Å; G12-I30 PolarHBondContact N-O 2.95Å |
| 13 | D | 95.3 | Very high | 83.3 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 17% | 0.166 | 45% | 0.452 | C | S | . | . | trans | -66 | 137.2 | 175.5 | -78.3 | -14.9 | 0 | 0 | 0 | 111.4 | W9 K10 T29 I30 | W9-D13 HydrophobicContact CE3-CB 3.97Å; W9-D13 HydrophobicContact CZ3-CB 4.21Å; K10-D13 WeakPolarHBondContact CE-OD1 3.39Å; K10-D13 VanDerWaalsContact CG-CG 3.42Å; K10-D13 VanDerWaalsContact CG-OD1 3.29Å; K10-D13 WeakPolarHBondContact CG-OD1 3.47Å; K10-D13 WeakPolarHBondContact CG-OD2 3.28Å; K10-D13 PolarHBondContact N-OD2 2.91Å; K10-D13 IonicContact NZ-OD1 2.64Å; K10-D13 PolarHBondContact NZ-OD1 3.07Å; K10-D13 IonicContact NZ-OD2 3.39Å; K10-D13 PolarHBondContact NZ-OD2 2.98Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 2.94Å; D13-T29 WeakPolarHBondContact O-CA 3.2Å; D13-I30 HydrophobicContact CB-CD1 4.08Å; D13-I30 HydrophobicContact CB-CG1 4.44Å; D13-I30 PolarHBondContact O-N 3.07Å | ||
| 14 | K | 95.7 | Very high | 85.8 | Confident | 157 Ų | 157 | 76.9 Ų | 76.9 | 68% | 0.683 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.9 | 167.1 | -61.3 | -167.4 | 177.3 | -156.9 | 0 | 108.2 | P61 | K14-P61 HydrophobicContact CB-CB 3.95Å; K14-P61 HydrophobicContact CB-CG 4.42Å; K14-P61 WeakPolarHBondContact O-CB 3.5Å; K14-P61 WeakPolarHBondContact O-CD 3.37Å; K14-P61 VanDerWaalsContact O-CG 3.3Å; K14-P61 WeakPolarHBondContact O-CG 3.46Å |
| 15 | C | 94.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 177.1 | 178.8 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | W9 A28 L58 | W9-C15 HydrophobicContact CH2-CB 3.75Å; W9-C15 HydrophobicContact CZ3-CB 3.78Å; C15-A28 PolarHBondContact N-O 2.64Å; C15-A28 PolarHBondContact O-N 3.39Å; C15-A28 PolarHBondContact SG-O 2.91Å; C15-L58 HydrophobicContact CB-CD2 4.35Å |
| 16 | S | 94.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.4 | 165.6 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | Y26 L59 I62 | S16-Y26 WeakPolarHBondContact CA-O 3.23Å; S16-L59 PolarHBondContact N-O 2.86Å; S16-L59 WeakPolarHBondContact O-CB 3.47Å; S16-L59 PolarHBondContact O-N 2.94Å; S16-I62 WeakPolarHBondContact OG-CG1 3.22Å; S16-I62 PolarHBondContact OG-N 2.82Å |
| 17 | A | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y26 A28 V42 Y44 Q53 L58 | A17-Y26 PolarHBondContact N-O 2.95Å; A17-Y26 PolarHBondContact O-N 3.23Å; A17-A28 HydrophobicContact CB-CB 4.42Å; A17-V42 HydrophobicContact CB-CG2 4.13Å; A17-Y44 HydrophobicContact CB-CE1 4.07Å; A17-Q53 HydrophobicContact CB-CG 4.32Å; A17-L58 HydrophobicContact CB-CD2 4.22Å |
| 18 | I | 94 | Very high | 93.4 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 132.1 | 172.9 | -62.8 | 170 | 0 | 0 | 0 | 107.9 | C24 I25 Y44 Q53 | I18-C24 CarbonylContact C-O 3.53Å; I18-C24 WeakPolarHBondContact CA-O 3.32Å; I18-I25 HydrophobicContact CG1-CG1 3.91Å; I18-Y44 PolarHBondContact O-OH 3.1Å; I18-Q53 PolarHBondContact O-NE2 2.9Å; I18-Q53 VanDerWaalsContact O-NE2 3.16Å |
| 19 | W | 93.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | trans | -87.4 | 129.5 | 173.7 | -172.9 | 26.4 | 0 | 0 | 0 | 110.1 | E21 G23 C24 Y26 Y44 | W19-E21 HydrophobicContact CD2-CB 4.03Å; W19-E21 HydrophobicContact CE3-CB 4.46Å; W19-E21 HydrophobicContact CG-CB 4.49Å; W19-E21 HydrophobicContact CH2-CB 4.35Å; W19-E21 HydrophobicContact CZ2-CB 3.9Å; W19-E21 HydrophobicContact CZ2-CG 4.42Å; W19-E21 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E21 PolarHBondContact O-N 3.42Å; W19-G23 VanDerWaalsContact O-CA 3.27Å; W19-G23 WeakPolarHBondContact O-CA 3.31Å; W19-G23 PolarHBondContact O-N 2.86Å; W19-C24 PolarHBondContact N-O 2.74Å; W19-Y26 HydrophobicContact CB-CD2 3.6Å; W19-Y26 HydrophobicContact CB-CE2 3.83Å; W19-Y26 HydrophobicContact CD2-CE2 4.43Å; W19-Y26 HydrophobicContact CE3-CD2 4.31Å; W19-Y26 AromaticContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; W19-Y44 WeakPolarHBondContact CA-OH 3.47Å; W19-Y44 HydrophobicContact CB-CE1 4.14Å; W19-Y44 AromaticContact CD1-CE2 3.85Å; W19-Y44 HydrophobicContact CG-CE2 4.4Å | ||
| 20 | S | 91.5 | Very high | 94 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.2 | -175.6 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | E51 | S20-E51 WeakPolarHBondContact CB-OE1 3.42Å; S20-E51 PolarHBondContact OG-OE1 2.8Å; S20-E51 PolarHBondContact OG-OE2 3.25Å |
| 21 | E | 89.8 | Confident | 94.1 | Very high | 156 Ų | 156 | 55.2 Ų | 55.2 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -35.6 | -174.4 | -166.3 | 149.6 | -167.8 | 0 | 0 | 113.1 | W19 | W19-E21 HydrophobicContact CD2-CB 4.03Å; W19-E21 HydrophobicContact CE3-CB 4.46Å; W19-E21 HydrophobicContact CG-CB 4.49Å; W19-E21 HydrophobicContact CH2-CB 4.35Å; W19-E21 HydrophobicContact CZ2-CB 3.9Å; W19-E21 HydrophobicContact CZ2-CG 4.42Å; W19-E21 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E21 PolarHBondContact O-N 3.42Å |
| 22 | D | 90.2 | Very high | 94.1 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -6.4 | -177.4 | 64.4 | 3.6 | 0 | 0 | 0 | 114.1 | C24 Y26 | D22-C24 PolarHBondContact O-N 3.01Å; D22-C24 WeakPolarHBondContact OD1-CB 3.3Å; D22-C24 PolarHBondContact OD1-N 3.01Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.4Å; D22-Y26 VanDerWaalsContact OD2-CE2 3.3Å; D22-Y26 WeakPolarHBondContact OD2-CE2 3.26Å; D22-Y26 PolarHBondContact OD2-OH 2.97Å |
| 23 | G | 89.6 | Confident | 94.2 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | trans | 68.8 | 13.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W19 | W19-G23 VanDerWaalsContact O-CA 3.27Å; W19-G23 WeakPolarHBondContact O-CA 3.31Å; W19-G23 PolarHBondContact O-N 2.86Å | ||
| 24 | C | 90.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | trans | -92.7 | 153.9 | -179.1 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | I18 W19 D22 Y26 | I18-C24 CarbonylContact C-O 3.53Å; I18-C24 WeakPolarHBondContact CA-O 3.32Å; W19-C24 PolarHBondContact N-O 2.74Å; D22-C24 PolarHBondContact O-N 3.01Å; D22-C24 WeakPolarHBondContact OD1-CB 3.3Å; D22-C24 PolarHBondContact OD1-N 3.01Å; C24-Y26 HydrophobicContact CB-CD2 4.34Å; C24-Y26 HydrophobicContact CB-CE2 3.54Å; C24-Y26 VanDerWaalsContact O-CD2 3.26Å; C24-Y26 WeakPolarHBondContact O-CD2 3.3Å | ||
| 25 | I | 93 | Very high | 93.8 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 46% | 0.456 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.3 | 180 | -60.9 | 165 | 0 | 0 | 0 | 109.6 | I18 L59 I62 | I18-I25 HydrophobicContact CG1-CG1 3.91Å; I25-L59 HydrophobicContact CD1-CD1 3.7Å; I25-L59 HydrophobicContact CG1-CD1 4.04Å; I25-L59 HydrophobicContact CG2-CD1 3.98Å; I25-I62 HydrophobicContact CG2-CD1 4.35Å |
| 26 | Y | 94.5 | Very high | 93.7 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.2 | 178.8 | -68.4 | -82.7 | 0 | 0 | 0 | 112.4 | S16 A17 W19 D22 C24 A28 Y47 | S16-Y26 WeakPolarHBondContact CA-O 3.23Å; A17-Y26 PolarHBondContact N-O 2.95Å; A17-Y26 PolarHBondContact O-N 3.23Å; W19-Y26 HydrophobicContact CB-CD2 3.6Å; W19-Y26 HydrophobicContact CB-CE2 3.83Å; W19-Y26 HydrophobicContact CD2-CE2 4.43Å; W19-Y26 HydrophobicContact CE3-CD2 4.31Å; W19-Y26 AromaticContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.4Å; D22-Y26 VanDerWaalsContact OD2-CE2 3.3Å; D22-Y26 WeakPolarHBondContact OD2-CE2 3.26Å; D22-Y26 PolarHBondContact OD2-OH 2.97Å; C24-Y26 HydrophobicContact CB-CD2 4.34Å; C24-Y26 HydrophobicContact CB-CE2 3.54Å; C24-Y26 VanDerWaalsContact O-CD2 3.26Å; C24-Y26 WeakPolarHBondContact O-CD2 3.3Å; Y26-A28 PolarHBondContact O-N 3.07Å; Y26-Y47 HydrophobicContact CD1-CE2 4.08Å; Y26-Y47 HydrophobicContact CE1-CE2 4.25Å |
| 27 | P | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.4 | 173.6 | 27.3 | -33.2 | 0 | 0 | 0 | 110.2 | T45 | P27-T45 VanDerWaalsContact O-CB 3.3Å; P27-T45 WeakPolarHBondContact O-CB 3.17Å; P27-T45 PolarHBondContact O-N 3.21Å; P27-T45 PolarHBondContact O-OG1 3.25Å |
| 28 | A | 96.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.017 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C15 A17 Y26 V42 V43 Y44 | C15-A28 PolarHBondContact N-O 2.64Å; C15-A28 PolarHBondContact O-N 3.39Å; C15-A28 PolarHBondContact SG-O 2.91Å; A17-A28 HydrophobicContact CB-CB 4.42Å; Y26-A28 PolarHBondContact O-N 3.07Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.26Å; A28-V43 CarbonylContact C-O 3.55Å; A28-V43 VanDerWaalsContact CA-O 3.22Å; A28-V43 WeakPolarHBondContact CA-O 3.3Å; A28-V43 WeakPolarHBondContact CB-O 3.33Å; A28-Y44 HydrophobicContact CB-CD1 4.1Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å |
| 29 | T | 96.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 31% | 0.307 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.3 | 174.3 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | D13 A31 V42 V43 | D13-T29 WeakPolarHBondContact O-CA 3.2Å; T29-A31 PolarHBondContact O-N 2.96Å; T29-V42 CarbonylContact O-C 3.52Å; T29-V42 WeakPolarHBondContact O-CA 3.3Å; T29-V43 PolarHBondContact N-O 3.34Å; T29-V43 PolarHBondContact O-N 2.97Å |
| 30 | I | 97 | Very high | 93.5 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.6 | 178.1 | -56.2 | -177 | 0 | 0 | 0 | 109.2 | W9 G12 D13 I33 C40 V42 L58 | W9-I30 HydrophobicContact CB-CD1 3.72Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.52Å; W9-I30 HydrophobicContact CG-CD1 3.95Å; W9-I30 HydrophobicContact CZ3-CD1 4.33Å; G12-I30 PolarHBondContact N-O 2.95Å; D13-I30 HydrophobicContact CB-CD1 4.08Å; D13-I30 HydrophobicContact CB-CG1 4.44Å; D13-I30 PolarHBondContact O-N 3.07Å; I30-I33 HydrophobicContact CG2-CD1 4.01Å; I30-I33 HydrophobicContact CG2-CG1 3.58Å; I30-C40 HydrophobicContact CG2-CB 4.19Å; I30-V42 HydrophobicContact CG1-CG1 4.49Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.13Å |
| 31 | A | 97.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 68.9 Ų | 68.9 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -34.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V11 T29 V41 V43 | V11-A31 VanDerWaalsContact CG1-O 3.28Å; V11-A31 WeakPolarHBondContact CG1-O 3.34Å; T29-A31 PolarHBondContact O-N 2.96Å; A31-V41 WeakPolarHBondContact CA-O 3.29Å; A31-V41 WeakPolarHBondContact CB-O 3.2Å; A31-V41 PolarHBondContact N-O 2.87Å; A31-V43 HydrophobicContact CB-CG2 3.67Å |
| 32 | S | 96.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.8 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | C40 V41 | S32-C40 CarbonylContact O-C 3.51Å; S32-C40 VanDerWaalsContact O-CA 3.23Å; S32-C40 WeakPolarHBondContact O-CA 3.44Å; S32-C40 VanDerWaalsContact O-CB 3.3Å; S32-C40 WeakPolarHBondContact O-CB 3.46Å; S32-V41 PolarHBondContact N-O 2.81Å; S32-V41 PolarHBondContact O-N 2.83Å; S32-V41 WeakPolarHBondContact OG-CB 3.22Å; S32-V41 WeakPolarHBondContact OG-CG2 3.45Å |
| 33 | I | 95.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.8 | 178.8 | -61.3 | 176.7 | 0 | 0 | 0 | 109.2 | W9 K10 V11 I30 F35 C40 L55 | W9-I33 HydrophobicContact CB-CD1 4.25Å; W9-I33 VanDerWaalsContact O-CD1 3.26Å; W9-I33 WeakPolarHBondContact O-CD1 3.46Å; K10-I33 VanDerWaalsContact CA-CD1 3.5Å; V11-I33 HydrophobicContact CG2-CD1 4.33Å; V11-I33 HydrophobicContact CG2-CG1 4.07Å; I30-I33 HydrophobicContact CG2-CD1 4.01Å; I30-I33 HydrophobicContact CG2-CG1 3.58Å; I33-F35 HydrophobicContact CB-CE2 4.41Å; I33-F35 HydrophobicContact CB-CZ 4.32Å; I33-F35 HydrophobicContact CG2-CD1 3.9Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.69Å; I33-F35 HydrophobicContact CG2-CE2 4.02Å; I33-F35 HydrophobicContact CG2-CG 4.15Å; I33-F35 HydrophobicContact CG2-CZ 3.76Å; I33-C40 HydrophobicContact CG1-CB 4.17Å; I33-L55 HydrophobicContact CG1-CD2 4.45Å; I33-L55 HydrophobicContact CG2-CD1 3.94Å; I33-L55 HydrophobicContact CG2-CD2 4.17Å |
| 34 | D | 94 | Very high | 94.8 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 83.6 | 176.7 | -71.7 | -69 | 0 | 0 | 0 | 110 | K36 R37 E38 T39 | D34-K36 PolarHBondContact O-N 3.16Å; D34-R37 PolarHBondContact O-N 2.79Å; D34-E38 PolarHBondContact O-N 3.28Å; D34-T39 PolarHBondContact N-O 2.95Å; D34-T39 PolarHBondContact O-N 3.37Å |
| 35 | F | 90.5 | Very high | 94.9 | Very high | 154 Ų | 154 | 58.7 Ų | 58.7 | 68% | 0.675 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.5 | -178.6 | -62 | -74.8 | 0 | 0 | 0 | 114.5 | I33 | I33-F35 HydrophobicContact CB-CE2 4.41Å; I33-F35 HydrophobicContact CB-CZ 4.32Å; I33-F35 HydrophobicContact CG2-CD1 3.9Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.69Å; I33-F35 HydrophobicContact CG2-CE2 4.02Å; I33-F35 HydrophobicContact CG2-CG 4.15Å; I33-F35 HydrophobicContact CG2-CZ 3.76Å |
| 36 | K | 91.7 | Very high | 94.9 | Very high | 212 Ų | 212 | 58.5 Ų | 58.5 | 92% | 0.922 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -33.9 | 177.1 | -66.1 | -177.1 | -179.3 | -177.5 | 0 | 113.2 | D34 | D34-K36 PolarHBondContact O-N 3.16Š|
| 37 | R | 89.9 | Confident | 94.8 | Very high | 157 Ų | 157 | 62.5 Ų | 62.5 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.7 | -177.1 | -61.6 | -178.6 | 78.4 | -140.8 | -2.7 | 111.7 | D34 T39 E52 | D34-R37 PolarHBondContact O-N 2.79Å; R37-T39 HydrophobicContact CB-CG2 4.19Å; R37-T39 PolarHBondContact O-N 3.47Å; R37-E52 IonicContact CZ-OE1 3.62Å; R37-E52 VanDerWaalsContact NH1-CD 3.31Å; R37-E52 IonicContact NH1-OE1 2.86Å; R37-E52 PolarHBondContact NH1-OE1 3.05Å; R37-E52 IonicContact NH1-OE2 2.98Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 3.63Å |
| 38 | E | 91.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 61.6 Ų | 61.6 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.8 | -171.6 | -60.2 | -179.8 | 165.2 | 0 | 0 | 112.5 | D34 N54 L55 | D34-E38 PolarHBondContact O-N 3.28Å; E38-N54 PolarHBondContact O-OD1 3.43Å; E38-L55 WeakPolarHBondContact O-CB 3.31Å; E38-L55 WeakPolarHBondContact O-CG 3.34Å; E38-L55 PolarHBondContact O-N 2.94Å |
| 39 | T | 94.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 163.4 | 178.1 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | D34 R37 E52 Q53 | D34-T39 PolarHBondContact N-O 2.95Å; D34-T39 PolarHBondContact O-N 3.37Å; R37-T39 HydrophobicContact CB-CG2 4.19Å; R37-T39 PolarHBondContact O-N 3.47Å; T39-E52 HydrophobicContact CG2-CG 4.26Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 VanDerWaalsContact CA-O 3.3Å; T39-Q53 WeakPolarHBondContact CA-O 3.43Å |
| 40 | C | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.9 | 172.7 | 67.6 | 0 | 0 | 0 | 0 | 109.9 | I30 S32 I33 E52 Q53 L55 L58 | I30-C40 HydrophobicContact CG2-CB 4.19Å; S32-C40 CarbonylContact O-C 3.51Å; S32-C40 VanDerWaalsContact O-CA 3.23Å; S32-C40 WeakPolarHBondContact O-CA 3.44Å; S32-C40 VanDerWaalsContact O-CB 3.3Å; S32-C40 WeakPolarHBondContact O-CB 3.46Å; I33-C40 HydrophobicContact CG1-CB 4.17Å; C40-E52 CarbonylContact O-C 3.51Å; C40-E52 VanDerWaalsContact O-CA 3.32Å; C40-E52 WeakPolarHBondContact O-CA 3.35Å; C40-Q53 PolarHBondContact N-O 3.46Å; C40-Q53 PolarHBondContact O-N 3.19Å; C40-L55 HydrophobicContact CB-CD2 3.68Å; C40-L55 HydrophobicContact CB-CG 4.35Å; C40-L58 VanDerWaalsContact SG-CD1 3.59Å |
| 41 | V | 97.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.8 | 168.3 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | A31 S32 R50 E51 | A31-V41 WeakPolarHBondContact CA-O 3.29Å; A31-V41 WeakPolarHBondContact CB-O 3.2Å; A31-V41 PolarHBondContact N-O 2.87Å; S32-V41 PolarHBondContact N-O 2.81Å; S32-V41 PolarHBondContact O-N 2.83Å; S32-V41 WeakPolarHBondContact OG-CB 3.22Å; S32-V41 WeakPolarHBondContact OG-CG2 3.45Å; V41-R50 HydrophobicContact CG1-CB 4.02Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 VanDerWaalsContact CA-O 3.31Å; V41-E51 WeakPolarHBondContact CA-O 3.26Å |
| 42 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 151 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | A17 A28 T29 I30 Y44 R50 E51 Q53 L58 | A17-V42 HydrophobicContact CB-CG2 4.13Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.26Å; T29-V42 CarbonylContact O-C 3.52Å; T29-V42 WeakPolarHBondContact O-CA 3.3Å; I30-V42 HydrophobicContact CG1-CG1 4.49Å; V42-Y44 HydrophobicContact CG2-CE2 4.32Å; V42-R50 VanDerWaalsContact O-CA 3.22Å; V42-R50 WeakPolarHBondContact O-CA 3.27Å; V42-E51 PolarHBondContact N-O 2.69Å; V42-E51 PolarHBondContact O-N 3.08Å; V42-Q53 HydrophobicContact CG2-CG 3.78Å; V42-L58 HydrophobicContact CG1-CD2 3.74Å |
| 43 | V | 97.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 73.9 Ų | 73.9 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.8 | 170 | 178.4 | 0 | 0 | 0 | 0 | 108 | A28 T29 A31 T45 N49 R50 | A28-V43 CarbonylContact C-O 3.55Å; A28-V43 VanDerWaalsContact CA-O 3.22Å; A28-V43 WeakPolarHBondContact CA-O 3.3Å; A28-V43 WeakPolarHBondContact CB-O 3.33Å; T29-V43 PolarHBondContact N-O 3.34Å; T29-V43 PolarHBondContact O-N 2.97Å; A31-V43 HydrophobicContact CB-CG2 3.67Å; V43-T45 PolarHBondContact O-N 3.4Å; V43-N49 WeakPolarHBondContact CA-O 3.3Å; V43-R50 HydrophobicContact CG2-CG 3.78Å |
| 44 | Y | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 75.5 Ų | 75.5 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.5 | 178.1 | -66.5 | -79.5 | 0 | 0 | 0 | 111.1 | A17 I18 W19 A28 V42 G46 Y47 G48 N49 E51 | A17-Y44 HydrophobicContact CB-CE1 4.07Å; I18-Y44 PolarHBondContact O-OH 3.1Å; W19-Y44 WeakPolarHBondContact CA-OH 3.47Å; W19-Y44 HydrophobicContact CB-CE1 4.14Å; W19-Y44 AromaticContact CD1-CE2 3.85Å; W19-Y44 HydrophobicContact CG-CE2 4.4Å; A28-Y44 HydrophobicContact CB-CD1 4.1Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å; V42-Y44 HydrophobicContact CG2-CE2 4.32Å; Y44-G46 PolarHBondContact O-N 2.88Å; Y44-Y47 PolarHBondContact O-N 2.95Å; Y44-G48 PolarHBondContact O-N 2.82Å; Y44-N49 HydrophobicContact CD2-CB 4.12Å; Y44-N49 WeakPolarHBondContact CD2-O 3.47Å; Y44-N49 PolarHBondContact N-O 3.16Å; Y44-E51 HydrophobicContact CE2-CB 3.87Å |
| 45 | T | 94.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 73.4 Ų | 73.4 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 131.9 | -178.8 | -48.4 | 0 | 0 | 0 | 0 | 109.4 | P27 V43 Y47 | P27-T45 VanDerWaalsContact O-CB 3.3Å; P27-T45 WeakPolarHBondContact O-CB 3.17Å; P27-T45 PolarHBondContact O-N 3.21Å; P27-T45 PolarHBondContact O-OG1 3.25Å; V43-T45 PolarHBondContact O-N 3.4Å; T45-Y47 VanDerWaalsContact C-N 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.15Å; T45-Y47 PolarHBondContact O-N 3.48Å |
| 46 | G | 91.7 | Very high | 94.1 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 88% | 0.876 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -27 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y44 | Y44-G46 PolarHBondContact O-N 2.88Š|
| 47 | Y | 92.1 | Very high | 94 | Very high | 132 Ų | 132 | 65 Ų | 65 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -35 | 179.8 | -58.5 | -81.9 | 0 | 0 | 0 | 113.2 | Y26 Y44 T45 N49 | Y26-Y47 HydrophobicContact CD1-CE2 4.08Å; Y26-Y47 HydrophobicContact CE1-CE2 4.25Å; Y44-Y47 PolarHBondContact O-N 2.95Å; T45-Y47 VanDerWaalsContact C-N 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.15Å; T45-Y47 PolarHBondContact O-N 3.48Å; Y47-N49 PolarHBondContact O-N 2.87Å |
| 48 | G | 91.8 | Very high | 94 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | trans | 76.2 | -2.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y44 | Y44-G48 PolarHBondContact O-N 2.82Š| ||
| 49 | N | 94.8 | Very high | 94 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | trans | -60.1 | 142.7 | 172.9 | -62.8 | -26.4 | 0 | 0 | 0 | 110.4 | V43 Y44 Y47 | V43-N49 WeakPolarHBondContact CA-O 3.3Å; Y44-N49 HydrophobicContact CD2-CB 4.12Å; Y44-N49 WeakPolarHBondContact CD2-O 3.47Å; Y44-N49 PolarHBondContact N-O 3.16Å; Y47-N49 PolarHBondContact O-N 2.87Å | ||
| 50 | R | 95.7 | Very high | 93.8 | Very high | 152 Ų | 152 | 57.5 Ų | 57.5 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.3 | -179.4 | -55.4 | -175.7 | 74.8 | -122 | 4.6 | 110.4 | V41 V42 V43 | V41-R50 HydrophobicContact CG1-CB 4.02Å; V42-R50 VanDerWaalsContact O-CA 3.22Å; V42-R50 WeakPolarHBondContact O-CA 3.27Å; V43-R50 HydrophobicContact CG2-CG 3.78Å |
| 51 | E | 95.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.3 | -177.9 | -169.3 | 168.9 | 150.2 | 0 | 0 | 111.8 | S20 V41 V42 Y44 Q53 | S20-E51 WeakPolarHBondContact CB-OE1 3.42Å; S20-E51 PolarHBondContact OG-OE1 2.8Å; S20-E51 PolarHBondContact OG-OE2 3.25Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 VanDerWaalsContact CA-O 3.31Å; V41-E51 WeakPolarHBondContact CA-O 3.26Å; V42-E51 PolarHBondContact N-O 2.69Å; V42-E51 PolarHBondContact O-N 3.08Å; Y44-E51 HydrophobicContact CE2-CB 3.87Å; E51-Q53 PolarHBondContact OE1-NE2 3.03Å |
| 52 | E | 96.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 64.8 Ų | 64.8 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.4 | 172.5 | -178.5 | 170.8 | 103.8 | 0 | 0 | 109.2 | R37 T39 C40 | R37-E52 IonicContact CZ-OE1 3.62Å; R37-E52 VanDerWaalsContact NH1-CD 3.31Å; R37-E52 IonicContact NH1-OE1 2.86Å; R37-E52 PolarHBondContact NH1-OE1 3.05Å; R37-E52 IonicContact NH1-OE2 2.98Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 3.63Å; T39-E52 HydrophobicContact CG2-CG 4.26Å; C40-E52 CarbonylContact O-C 3.51Å; C40-E52 VanDerWaalsContact O-CA 3.32Å; C40-E52 WeakPolarHBondContact O-CA 3.35Å |
| 53 | Q | 95.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 68.9 Ų | 68.9 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.2 | -178.3 | -69.1 | -66.1 | -21.3 | 0 | 0 | 110.4 | A17 I18 T39 C40 V42 E51 L58 | A17-Q53 HydrophobicContact CB-CG 4.32Å; I18-Q53 PolarHBondContact O-NE2 2.9Å; I18-Q53 VanDerWaalsContact O-NE2 3.16Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 VanDerWaalsContact CA-O 3.3Å; T39-Q53 WeakPolarHBondContact CA-O 3.43Å; C40-Q53 PolarHBondContact N-O 3.46Å; C40-Q53 PolarHBondContact O-N 3.19Å; V42-Q53 HydrophobicContact CG2-CG 3.78Å; E51-Q53 PolarHBondContact OE1-NE2 3.03Å; Q53-L58 HydrophobicContact CB-CD2 4.37Å |
| 54 | N | 93.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137 | 172.2 | -165.6 | -49.9 | 0 | 0 | 0 | 110 | E38 S56 D57 L58 | E38-N54 PolarHBondContact O-OD1 3.43Å; N54-S56 PolarHBondContact O-N 2.84Å; N54-S56 WeakPolarHBondContact OD1-CB 3.46Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.42Å; N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.31Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact O-N 2.84Å; N54-D57 VanDerWaalsContact O-N 3.1Å; N54-L58 PolarHBondContact O-N 2.96Å |
| 55 | L | 91.1 | Very high | 86.3 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.141 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.1 | 176.2 | -72.5 | 170.7 | 0 | 0 | 0 | 112.9 | W9 I33 E38 C40 L58 | W9-L55 HydrophobicContact CB-CD2 3.97Å; W9-L55 HydrophobicContact CG-CD2 4.27Å; W9-L55 PolarHBondContact NE1-O 3.47Å; W9-L55 VanDerWaalsContact NE1-O 3.16Å; I33-L55 HydrophobicContact CG1-CD2 4.45Å; I33-L55 HydrophobicContact CG2-CD1 3.94Å; I33-L55 HydrophobicContact CG2-CD2 4.17Å; E38-L55 WeakPolarHBondContact O-CB 3.31Å; E38-L55 WeakPolarHBondContact O-CG 3.34Å; E38-L55 PolarHBondContact O-N 2.94Å; C40-L55 HydrophobicContact CB-CD2 3.68Å; C40-L55 HydrophobicContact CB-CG 4.35Å; L55-L58 HydrophobicContact CD2-CD1 4.29Å |
| 56 | S | 90 | Very high | 84 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.8 | 179 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | N54 | N54-S56 PolarHBondContact O-N 2.84Å; N54-S56 WeakPolarHBondContact OD1-CB 3.46Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.42Å |
| 57 | D | 90.4 | Very high | 81.7 | Confident | 95 Ų | 95 | 83.6 Ų | 83.6 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.3 | -177.9 | -62.4 | -24.1 | 0 | 0 | 0 | 112.1 | N54 L59 | N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.31Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact O-N 2.84Å; N54-D57 VanDerWaalsContact O-N 3.1Å; D57-L59 PolarHBondContact O-N 3Å |
| 58 | L | 90.9 | Very high | 79.4 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 7% | 0.073 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 133.5 | 174.2 | -74.9 | -178.4 | 0 | 0 | 0 | 111.2 | W9 C15 A17 I30 C40 V42 Q53 N54 L55 | W9-L58 HydrophobicContact CD2-CD1 3.89Å; W9-L58 HydrophobicContact CE3-CD1 4.48Å; W9-L58 HydrophobicContact CG-CD1 3.99Å; W9-L58 HydrophobicContact CH2-CB 4.4Å; W9-L58 HydrophobicContact CZ2-CB 3.58Å; W9-L58 HydrophobicContact CZ2-CD1 4.34Å; C15-L58 HydrophobicContact CB-CD2 4.35Å; A17-L58 HydrophobicContact CB-CD2 4.22Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.13Å; C40-L58 VanDerWaalsContact SG-CD1 3.59Å; V42-L58 HydrophobicContact CG1-CD2 3.74Å; Q53-L58 HydrophobicContact CB-CD2 4.37Å; N54-L58 PolarHBondContact O-N 2.96Å; L55-L58 HydrophobicContact CD2-CD1 4.29Å |
| 59 | L | 91.4 | Very high | 77.5 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -96.4 | 148.5 | 177.2 | -54.7 | 174.5 | 0 | 0 | 0 | 109.8 | W9 S16 I25 D57 | W9-L59 WeakPolarHBondContact CH2-O 3.37Å; S16-L59 PolarHBondContact N-O 2.86Å; S16-L59 WeakPolarHBondContact O-CB 3.47Å; S16-L59 PolarHBondContact O-N 2.94Å; I25-L59 HydrophobicContact CD1-CD1 3.7Å; I25-L59 HydrophobicContact CG1-CD1 4.04Å; I25-L59 HydrophobicContact CG2-CD1 3.98Å; D57-L59 PolarHBondContact O-N 3Å |
| 60 | S | 89.1 | Confident | 75.3 | Confident | 55 Ų | 55 | 94.2 Ų | 94.2 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 143.9 | 169.2 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | Q7 I62 | Q7-S60 PolarHBondContact OE1-OG 3.33Å; S60-I62 PolarHBondContact O-N 3.24Å |
| 61 | P | 87.5 | Confident | 73 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 130.5 | 178.8 | 23.3 | -31.5 | 0 | 0 | 0 | 109.2 | K14 C63 | K14-P61 HydrophobicContact CB-CB 3.95Å; K14-P61 HydrophobicContact CB-CG 4.42Å; K14-P61 WeakPolarHBondContact O-CB 3.5Å; K14-P61 WeakPolarHBondContact O-CD 3.37Å; K14-P61 VanDerWaalsContact O-CG 3.3Å; K14-P61 WeakPolarHBondContact O-CG 3.46Å; P61-C63 PolarHBondContact O-N 3Å |
| 62 | I | 77.1 | Confident | 70.3 | Confident | 117 Ų | 117 | 100.7 Ų | 100.7 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | trans | -62.5 | 111.6 | 170.7 | -63 | 158.9 | 0 | 0 | 0 | 105.7 | S16 I25 S60 E64 | S16-I62 WeakPolarHBondContact OG-CG1 3.22Å; S16-I62 PolarHBondContact OG-N 2.82Å; I25-I62 HydrophobicContact CG2-CD1 4.35Å; S60-I62 PolarHBondContact O-N 3.24Å; I62-E64 PolarHBondContact O-N 3.03Å | ||
| 63 | C | 61.1 | Low | 67.9 | Low | 87 Ų | 87 | 101.1 Ų | 101.1 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | trans | -66.3 | 129.6 | 171.8 | 84.6 | 0 | 0 | 0 | 0 | 107 | P61 V65 | P61-C63 PolarHBondContact O-N 3Å; C63-V65 HydrophobicContact CB-CG2 4.29Å; C63-V65 PolarHBondContact O-N 2.98Å; C63-V65 WeakPolarHBondContact SG-CB 3.48Å | ||
| 64 | E | 55.3 | Low | 65.5 | Low | 196 Ų | 196 | 107.9 Ų | 107.9 | 92% | 0.916 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -69.8 | 48.1 | 167.9 | -77.9 | 178 | 146.6 | 0 | 0 | 110.6 | I62 | I62-E64 PolarHBondContact O-N 3.03Š|
| 65 | V | 46.3 | Very low | 63 | Low | 83 Ų | 83 | 113 Ų | 113 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | trans | -106.5 | 61.5 | 167.7 | -172.1 | 0 | 0 | 0 | 0 | 107.5 | C63 N68 | C63-V65 HydrophobicContact CB-CG2 4.29Å; C63-V65 PolarHBondContact O-N 2.98Å; C63-V65 WeakPolarHBondContact SG-CB 3.48Å; V65-N68 HydrophobicContact CG1-CB 4.26Å | ||
| 66 | A | 46.1 | Very low | 60.5 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | trans | -114.7 | 35.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 67 | N | 44.8 | Very low | 58.3 | Low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -135.9 | 18.3 | 167.3 | -73.7 | -39.6 | 0 | 0 | 0 | 113 | ||
| 68 | N | 41.9 | Very low | 55.8 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | trans | -139.4 | 26.7 | 177.4 | -66.7 | -58.1 | 0 | 0 | 0 | 113.9 | V65 E70 | V65-N68 HydrophobicContact CG1-CB 4.26Å; N68-E70 PolarHBondContact O-N 2.95Å | ||
| 69 | I | 52.7 | Low | 53.2 | Low | 166 Ų | 166 | 131.5 Ų | 131.5 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 71.2 | 162 | -54.5 | 178.1 | 0 | 0 | 0 | 107.6 | ||
| 70 | E | 49.1 | Very low | 50.6 | Low | 188 Ų | 188 | 133.9 Ų | 133.9 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 0.6 | 143 | -156.9 | 152.5 | -154.8 | 0 | 0 | 112.6 | N68 | N68-E70 PolarHBondContact O-N 2.95Š|
| 71 | Q | 47.9 | Very low | 48.2 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -147.7 | 76.5 | 173.5 | -69.7 | -174 | -4.1 | 0 | 0 | 112 | ||
| 72 | N | 37.3 | Very low | 45.6 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -164.5 | 73.1 | 144 | -163.7 | 0.9 | 0 | 0 | 0 | 110.7 | Q74 | N72-Q74 PolarHBondContact OD1-N 3.11Å; N72-Q74 VanDerWaalsContact OD1-N 3.1Å | ||
| 73 | A | 47.5 | Very low | 43.9 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -99.5 | 81.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 74 | Q | 43.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -149.7 | 93.8 | 147.5 | -153.7 | 149.2 | -51.9 | 0 | 0 | 110.4 | N72 | N72-Q74 PolarHBondContact OD1-N 3.11Å; N72-Q74 VanDerWaalsContact OD1-N 3.1Å | ||
| 75 | E | 42.5 | Very low | 41.8 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -53.2 | 156.2 | 156.4 | -167.5 | 168.8 | -167.1 | 0 | 0 | 110.7 | ||||
| 76 | N | 38.3 | Very low | 41.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -43.4 | 155 | -178.2 | 59.1 | 69 | 0 | 0 | 0 | 116.5 | ||||
| 77 | E | 43.9 | Very low | 41.8 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -59.2 | 116.9 | 178.7 | -159.9 | -179.2 | 177.6 | 0 | 0 | 113.3 | ||||
| 78 | N | 37.1 | Very low | 41.6 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -161.8 | 133.5 | 139.6 | 59.7 | 96.8 | 0 | 0 | 0 | 112 | ||||
| 79 | E | 37.2 | Very low | 41.2 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 5.9 | 116.7 | 167.7 | -72.3 | -159.1 | 96 | 0 | 0 | 120.1 | ||||
| 80 | S | 35 | Very low | 40.1 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | -164.3 | 135.7 | 99.6 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 81 | Q | 40.7 | Very low | 39.5 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -77.6 | 127.1 | 179.7 | -22.5 | -109.8 | -54.4 | 0 | 0 | 107.2 | ||||
| 82 | V | 32.8 | Very low | 39.1 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -146.7 | 111.3 | 145.3 | 75.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 83 | S | 40.6 | Very low | 39.6 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -43.2 | 148.1 | 166.1 | 165.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 84 | T | 37.2 | Very low | 38.7 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 177.1 | 117.8 | 103.1 | -59.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 85 | D | 35.9 | Very low | 38.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | 54.1 | 116 | 138.7 | -156.8 | -129.8 | 0 | 0 | 0 | 121 | ||||
| 86 | E | 47.8 | Very low | 37.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -72 | 135 | 167.3 | -35.2 | -84.9 | 91.6 | 0 | 0 | 109.4 | ||||
| 87 | S | 43.4 | Very low | 38.1 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -143.6 | 131.3 | 155.2 | -110 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 88 | E | 41.8 | Very low | 37.9 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -108.6 | 120.3 | -162.6 | 18 | 173.1 | 105.4 | 0 | 0 | 108.2 | ||||
| 89 | N | 32.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -165.6 | 120.3 | 163.9 | -159.1 | 25.4 | 0 | 0 | 0 | 107.3 | ||||
| 90 | S | 31.2 | Very low | 38.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | -170.6 | 143.7 | 59.3 | -46.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 91 | R | 35.9 | Very low | 39.1 | Very low | 239 Ų | 239 | 142.5 Ų | 142.5 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 139.9 | 171.1 | 179.8 | 175.1 | -84.9 | 165.8 | -5.9 | 111.2 | ||||
| 92 | S | 39.7 | Very low | 39 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -45.5 | 177.4 | 168 | 44.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 93 | P | 48.1 | Very low | 39.5 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -147.2 | 176 | 19.1 | 40.5 | -18.7 | 0 | 0 | 0 | 117.6 | ||||
| 94 | G | 27.2 | Very low | 39.5 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 161.1 | 95.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 95 | N | 32.3 | Very low | 40.1 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 54.2 | 122.4 | 135.2 | -64.6 | -5.6 | 0 | 0 | 0 | 125.6 | ||||
| 96 | K | 37.3 | Very low | 40.5 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 85.3 | 125.6 | 131.1 | -78.1 | -179.3 | 174.8 | 177.7 | 0 | 122 | ||||
| 97 | S | 43.9 | Very low | 40.3 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 45.2 | 128.9 | 150.9 | 74.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 98 | D | 39.8 | Very low | 40.6 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | -153.7 | 153.1 | 69.9 | -77.6 | -45.7 | 0 | 0 | 0 | 114.5 | I100 | D98-I100 PolarHBondContact O-N 3.06Å; D98-I100 VanDerWaalsContact O-N 3.14Å | |||
| 99 | N | 45.5 | Very low | 41 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -70.8 | 94.3 | 177 | -164.5 | -88.8 | 0 | 0 | 0 | 110.2 | ||||
| 100 | I | 45.9 | Very low | 42.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -102.1 | 94.9 | 165.1 | -56.1 | -172.1 | 0 | 0 | 0 | 108.6 | D98 P102 | D98-I100 PolarHBondContact O-N 3.06Å; D98-I100 VanDerWaalsContact O-N 3.14Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å | ||
| 101 | K | 41.6 | Very low | 43.3 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -55.6 | 119.4 | 165.3 | 179.2 | 159.4 | 170.1 | 174.6 | 0 | 109.7 | K103 | K101-K103 PolarHBondContact O-N 2.57Š| ||
| 102 | P | 39.8 | Very low | 44.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -69.2 | 103.8 | 167.1 | 26.4 | -29 | 0 | 0 | 0 | 107.5 | I100 S104 | I100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-S104 VanDerWaalsContact C-N 3.28Å; P102-S104 PolarHBondContact O-N 3.25Å | ||
| 103 | K | 42.2 | Very low | 45.4 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -65.6 | 96.8 | 160.5 | -95.2 | 170.4 | 63.9 | -178.4 | 0 | 106 | K101 A105 | K101-K103 PolarHBondContact O-N 2.57Å; K103-A105 PolarHBondContact O-N 2.91Å | ||
| 104 | S | 41.7 | Very low | 45.6 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -55.2 | 109.2 | 162.5 | 44.8 | 0 | 0 | 0 | 0 | 107.8 | P102 P106 | P102-S104 VanDerWaalsContact C-N 3.28Å; P102-S104 PolarHBondContact O-N 3.25Å; S104-P106 VanDerWaalsContact O-CD 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.28Å | ||
| 105 | A | 48.2 | Very low | 47.1 | Very low | 75 Ų | 75 | 136 Ų | 136 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | -72.9 | 118.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | K103 W107 | K103-A105 PolarHBondContact O-N 2.91Å; A105-W107 PolarHBondContact O-N 3.31Å | ||
| 106 | P | 45 | Very low | 48.6 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 60% | 0.597 | 75% | 0.746 | S | S | * | * | trans | -70.1 | 118.8 | 173.3 | -16.8 | 32.6 | 0 | 0 | 0 | 108.2 | S104 N108 | S104-P106 VanDerWaalsContact O-CD 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.28Å; P106-N108 PolarHBondContact O-N 2.79Å | ||
| 107 | W | 43.5 | Very low | 49.5 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -66.9 | 38.1 | 175.9 | -73.5 | 83.7 | 0 | 0 | 0 | 113.4 | A105 | A105-W107 PolarHBondContact O-N 3.31Š|
| 108 | N | 49.7 | Very low | 49.8 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 3.7 | -170.8 | -69.5 | -31.7 | 0 | 0 | 0 | 113.9 | P106 | P106-N108 PolarHBondContact O-N 2.79Š| ||
| 109 | S | 49.5 | Very low | 50.5 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -3.3 | -176.7 | -56.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 110 | F | 55.8 | Low | 50.6 | Low | 175 Ų | 175 | 130.4 Ų | 130.4 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 2.1 | -179.6 | -66.8 | -72.2 | 0 | 0 | 0 | 114.3 | ||
| 111 | L | 56.9 | Low | 50.4 | Low | 130 Ų | 130 | 134.8 Ų | 134.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -99.3 | 125 | 179.4 | -59.3 | 179.8 | 0 | 0 | 0 | 109.8 | ||
| 112 | P | 58.2 | Low | 51 | Low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145 | 169.3 | 25.9 | -31.9 | 0 | 0 | 0 | 109.4 | ||
| 113 | P | 60.6 | Low | 51.1 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.2 | -179.5 | 24.3 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 114 | P | 53.8 | Low | 51.4 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 144.6 | 177.2 | 25.5 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 115 | P | 58.7 | Low | 51.4 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.8 | 177.9 | 26.1 | -33.2 | 0 | 0 | 0 | 111.4 | M117 | P115-M117 PolarHBondContact O-N 3.46Š|
| 116 | P | 62.2 | Low | 51.5 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.1 | 179.5 | 25.4 | -31.8 | 0 | 0 | 0 | 111 | ||
| 117 | M | 58.1 | Low | 51.4 | Low | 178 Ų | 178 | 136.4 Ų | 136.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 134.3 | 170.7 | -100.3 | 163.3 | 78.2 | 0 | 0 | 110.5 | P115 G119 | P115-M117 PolarHBondContact O-N 3.46Å; M117-G119 PolarHBondContact O-N 2.78Å; M117-G119 VanDerWaalsContact O-N 3.11Å |
| 118 | P | 48.4 | Very low | 51.4 | Low | 126 Ų | 126 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -65.1 | 111.5 | 165.7 | -16.2 | 29.8 | 0 | 0 | 0 | 108.8 | ||||
| 119 | G | 54.6 | Low | 51.5 | Low | 56 Ų | 56 | 132 Ų | 132 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | -61.4 | 159.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M117 R121 | M117-G119 PolarHBondContact O-N 2.78Å; M117-G119 VanDerWaalsContact O-N 3.11Å; G119-R121 PolarHBondContact O-N 3.23Å | ||
| 120 | P | 48.6 | Very low | 51.8 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -62.4 | 111 | 173.9 | -17.8 | 30.6 | 0 | 0 | 0 | 110 | L122 | P120-L122 PolarHBondContact O-N 3.1Š| ||
| 121 | R | 41.8 | Very low | 51.6 | Low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -64 | 100.9 | 168.6 | -99.7 | -173.4 | 180 | -97.7 | 2.9 | 108.7 | G119 G123 | G119-R121 PolarHBondContact O-N 3.23Å; R121-G123 VanDerWaalsContact C-N 3.35Å; R121-G123 PolarHBondContact O-N 3Å; R121-G123 VanDerWaalsContact O-N 3.07Å | ||
| 122 | L | 52.9 | Low | 51.4 | Low | 177 Ų | 177 | 137.9 Ų | 137.9 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -65.9 | 96.8 | 155.1 | -79.5 | 163.2 | 0 | 0 | 0 | 107.8 | P120 | P120-L122 PolarHBondContact O-N 3.1Š| ||
| 123 | G | 43.3 | Very low | 51.7 | Low | 60 Ų | 60 | 134.1 Ų | 134.1 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92 | 137.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R121 | R121-G123 VanDerWaalsContact C-N 3.35Å; R121-G123 PolarHBondContact O-N 3Å; R121-G123 VanDerWaalsContact O-N 3.07Å |
| 124 | P | 48 | Very low | 52.3 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 140.2 | 176.3 | 32.7 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 125 | G | 41.6 | Very low | 52.9 | Low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 164.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 126 | K | 49.4 | Very low | 53.4 | Low | 209 Ų | 209 | 134.3 Ų | 134.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -143.7 | 149.8 | 149.4 | -79.9 | -169.7 | 173.2 | 174.6 | 0 | 110.7 | ||||
| 127 | P | 43.8 | Very low | 54 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -98.8 | 143.1 | -166.4 | 27.4 | -12.6 | 0 | 0 | 0 | 113.4 | ||||
| 128 | G | 43.4 | Very low | 54.8 | Low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 94.7 | 100.7 | 148 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 129 | L | 51.6 | Low | 56 | Low | 177 Ų | 177 | 130.1 Ų | 130.1 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -151.4 | 103.9 | 136.5 | -98.3 | 168.6 | 0 | 0 | 0 | 107.5 | F131 | L129-F131 PolarHBondContact O-N 3.44Š| ||
| 130 | K | 55.1 | Low | 56.9 | Low | 195 Ų | 195 | 132.9 Ų | 132.9 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 97.3 | 178.7 | 38.1 | -178.6 | 171.1 | -177.2 | 0 | 109.5 | ||||
| 131 | F | 52.2 | Low | 57.8 | Low | 183 Ų | 183 | 132 Ų | 132 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | -92.5 | 101.5 | 168 | -172.6 | -102.2 | 0 | 0 | 0 | 108.3 | L129 G133 | L129-F131 PolarHBondContact O-N 3.44Å; F131-G133 PolarHBondContact O-N 3.48Å | ||
| 132 | N | 52.8 | Low | 59.2 | Low | 165 Ų | 165 | 125.4 Ų | 125.4 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -80.8 | 63.6 | 173.3 | -72.9 | -38.6 | 0 | 0 | 0 | 110.3 | ||||
| 133 | G | 64.8 | Low | 59.2 | Low | 30 Ų | 30 | 121.3 Ų | 121.3 | 31% | 0.309 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -125.8 | 157.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F131 | F131-G133 PolarHBondContact O-N 3.48Š|
| 134 | P | 72.9 | Confident | 59.7 | Low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56 | 149.4 | 174.4 | 23.4 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 135 | P | 66.5 | Low | 59.9 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.5 | -175.3 | 24.7 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 136 | P | 69.5 | Low | 60.5 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 147.2 | 172.7 | 27.1 | -33.5 | 0 | 0 | 0 | 110 | ||
| 137 | P | 74.8 | Confident | 60.2 | Low | 113 Ų | 113 | 125.9 Ų | 125.9 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 151.4 | 175 | 26.6 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 138 | P | 73.9 | Confident | 60.5 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.4 | 174.8 | 25.8 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 139 | P | 74.9 | Confident | 60.9 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.2 | 174 | 26.3 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 140 | P | 72.9 | Confident | 60.9 | Low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147 | 174.1 | 25.9 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 141 | P | 67.9 | Low | 60.8 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.5 | 174.3 | 25 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 142 | P | 69.9 | Low | 60.9 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.3 | 177.1 | -19.5 | 29.5 | 0 | 0 | 0 | 110.2 | H144 | P142-H144 PolarHBondContact O-N 2.86Š|
| 143 | P | 53.5 | Low | 61.1 | Low | 91 Ų | 91 | 124.9 Ų | 124.9 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | trans | -64.7 | 104.3 | 169.6 | 26.9 | -30.4 | 0 | 0 | 0 | 108.1 | L145 | P143-L145 PolarHBondContact O-N 3.28Š| ||
| 144 | H | 53.8 | Low | 60.5 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 26.5 | 67.3 | 151.1 | 51.7 | -88.5 | 0 | 0 | 0 | 115.9 | P142 L146 | P142-H144 PolarHBondContact O-N 2.86Å; H144-L146 PolarHBondContact O-N 2.77Å | ||
| 145 | L | 53.2 | Low | 59.6 | Low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 31 | 169.7 | -68.7 | 178.5 | 0 | 0 | 0 | 112.8 | P143 | P143-L145 PolarHBondContact O-N 3.28Š|
| 146 | L | 54 | Low | 59.3 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 22.7 | 176.1 | -66.7 | 178.3 | 0 | 0 | 0 | 113.2 | H144 | H144-L146 PolarHBondContact O-N 2.77Š|
| 147 | S | 42.5 | Very low | 58.8 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -100.9 | 13.2 | 175.6 | -83.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 148 | C | 51.1 | Low | 57.9 | Low | 114 Ų | 114 | 124.1 Ų | 124.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -126.4 | 18.6 | -170.6 | -60.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 149 | W | 50.6 | Low | 57.3 | Low | 247 Ų | 247 | 125.4 Ų | 125.4 | 94% | 0.936 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -124.4 | 25.3 | 179.1 | -85.6 | 66.1 | 0 | 0 | 0 | 114.9 | ||
| 150 | L | 52 | Low | 56.7 | Low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.4 | 119.5 | 163.1 | -67.5 | 173.5 | 0 | 0 | 0 | 108.1 | ||
| 151 | P | 53.3 | Low | 55.9 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | trans | -59.2 | 147.1 | 169.9 | 26.6 | -31.5 | 0 | 0 | 0 | 108.4 | F153 | P151-F153 PolarHBondContact O-N 3.27Š| ||
| 152 | P | 55 | Low | 55.5 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -57.8 | 114.6 | 175.2 | -17.2 | 29 | 0 | 0 | 0 | 108.6 | P154 | P152-P154 WeakPolarHBondContact O-CD 3.43Š| ||
| 153 | F | 57 | Low | 55.1 | Low | 171 Ų | 171 | 120.8 Ų | 120.8 | 75% | 0.75 | 70% | 0.696 | S | S | * | * | trans | -64.9 | 123.5 | 168.6 | -79.1 | -85.5 | 0 | 0 | 0 | 107.3 | P151 S155 | P151-F153 PolarHBondContact O-N 3.27Å; F153-S155 PolarHBondContact O-N 3.03Å | ||
| 154 | P | 50.9 | Low | 55.7 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 126.7 | 176.8 | 25 | -31.3 | 0 | 0 | 0 | 108.9 | P152 G156 | P152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-G156 VanDerWaalsContact C-N 3.32Å; P154-G156 PolarHBondContact O-N 3.2Å | ||
| 155 | S | 53.4 | Low | 56.3 | Low | 136 Ų | 136 | 120.2 Ų | 120.2 | 95% | 0.951 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -61.9 | 93.1 | 170 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | F153 | F153-S155 PolarHBondContact O-N 3.03Š|
| 156 | G | 61.8 | Low | 56.7 | Low | 51 Ų | 51 | 118.1 Ų | 118.1 | 53% | 0.526 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -158.7 | 163.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P154 | P154-G156 VanDerWaalsContact C-N 3.32Å; P154-G156 PolarHBondContact O-N 3.2Å |
| 157 | P | 57.9 | Low | 56.9 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -53.2 | 146.8 | 174.5 | 24.3 | -32.8 | 0 | 0 | 0 | 109.6 | I159 | P157-I159 PolarHBondContact O-N 3.23Š|
| 158 | P | 55.6 | Low | 57.6 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 49% | 0.494 | 69% | 0.693 | S | S | . | * | trans | -52.8 | 114 | -173.9 | 21 | -32.3 | 0 | 0 | 0 | 110.1 | I160 | P158-I160 PolarHBondContact O-N 2.97Š| ||
| 159 | I | 61 | Low | 57.6 | Low | 142 Ų | 142 | 119 Ų | 119 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | trans | -72.2 | 103 | 175 | -71 | 170.4 | 0 | 0 | 0 | 106.7 | P157 | P157-I159 PolarHBondContact O-N 3.23Š| ||
| 160 | I | 62.7 | Low | 57.7 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 46% | 0.456 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 118.1 | 167.8 | -65.4 | 176.9 | 0 | 0 | 0 | 107.1 | P158 W184 | P158-I160 PolarHBondContact O-N 2.97Å; I160-W184 HydrophobicContact CB-CZ2 4.25Å; I160-W184 HydrophobicContact CG2-CH2 3.12Å; I160-W184 HydrophobicContact CG2-CZ2 2.92Å; I160-W184 HydrophobicContact CG2-CZ3 4.03Å |
| 161 | P | 56.4 | Low | 57.7 | Low | 76 Ų | 76 | 111.3 Ų | 111.3 | 49% | 0.494 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 133.6 | -171.5 | 25.9 | -34.3 | 0 | 0 | 0 | 111 | W184 | P161-W184 HydrophobicContact CG-CZ2 4.21Å; P161-W184 WeakPolarHBondContact O-CZ2 3.04Å |
| 162 | P | 59.4 | Low | 58 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.6 | -173.5 | 23.8 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 163 | P | 61.3 | Low | 58.3 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 143.4 | -177.5 | 24.4 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 164 | P | 66.3 | Low | 58.7 | Low | 88 Ų | 88 | 106.4 Ų | 106.4 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.3 | -179.8 | 24.9 | -32.1 | 0 | 0 | 0 | 111.2 | I166 | P164-I166 PolarHBondContact O-N 2.99Š|
| 165 | P | 66.5 | Low | 59.5 | Low | 134 Ų | 134 | 108 Ų | 108 | 87% | 0.87 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.9 | 176.6 | 24.4 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 166 | I | 62 | Low | 60.5 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 59% | 0.585 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 131.5 | -176.6 | -57.4 | 158.4 | 0 | 0 | 0 | 109.5 | P164 L177 | P164-I166 PolarHBondContact O-N 2.99Å; I166-L177 HydrophobicContact CD1-CD1 4.12Å; I166-L177 HydrophobicContact CD1-CD2 3.92Å; I166-L177 HydrophobicContact CG2-CD2 4.46Å |
| 167 | C | 57.2 | Low | 61.2 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 82% | 0.824 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 121.3 | 166.5 | -132.9 | 0 | 0 | 0 | 0 | 108.1 | D169 | C167-D169 PolarHBondContact O-N 3.04Š|
| 168 | P | 58.7 | Low | 62.1 | Low | 116 Ų | 116 | 100 Ų | 100 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | trans | -92.4 | 98 | -175.3 | 33.5 | -27.5 | 0 | 0 | 0 | 109.8 | ||||
| 169 | D | 49.8 | Very low | 63.1 | Low | 165 Ų | 165 | 99.7 Ų | 99.7 | 88% | 0.882 | 60% | 0.602 | S | S | * | * | trans | -150.8 | 56.8 | 166.7 | -121.9 | -36.5 | 0 | 0 | 0 | 112 | C167 | C167-D169 PolarHBondContact O-N 3.04Š| ||
| 170 | S | 53 | Low | 64.2 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | trans | -179 | 118.3 | 163.5 | 152.8 | 0 | 0 | 0 | 0 | 109.4 | D172 D173 | S170-D172 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact OG-N 2.77Å; S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 PolarHBondContact O-N 2.91Å; S170-D173 PolarHBondContact OG-OD2 3.49Å | ||
| 171 | L | 53.2 | Low | 65 | Low | 169 Ų | 169 | 96.5 Ų | 96.5 | 89% | 0.885 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -16.2 | 179.7 | -176.1 | 63.2 | 0 | 0 | 0 | 112.4 | D173 | L171-D173 VanDerWaalsContact C-N 3.34Š|
| 172 | D | 58.3 | Low | 65.9 | Low | 143 Ų | 143 | 97.5 Ų | 97.5 | 77% | 0.765 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -21 | -178.9 | -156.1 | -114.6 | 0 | 0 | 0 | 112.3 | S170 A174 | S170-D172 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact OG-N 2.77Å; D172-A174 VanDerWaalsContact C-N 3.27Å; D172-A174 PolarHBondContact O-N 3.13Å |
| 173 | D | 60.7 | Low | 66.4 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.1 | 0.7 | -179 | -66.7 | -62.2 | 0 | 0 | 0 | 113.4 | S170 L171 L177 | S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 PolarHBondContact O-N 2.91Å; S170-D173 PolarHBondContact OG-OD2 3.49Å; L171-D173 VanDerWaalsContact C-N 3.34Å; D173-L177 WeakPolarHBondContact O-CA 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.21Å; D173-L177 PolarHBondContact O-N 2.85Å |
| 174 | A | 65.4 | Low | 66.9 | Low | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -39.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D172 G178 | D172-A174 VanDerWaalsContact C-N 3.27Å; D172-A174 PolarHBondContact O-N 3.13Å; A174-G178 PolarHBondContact O-N 3.48Å |
| 175 | D | 68.5 | Low | 67.1 | Low | 136 Ų | 136 | 98.1 Ų | 98.1 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -76.9 | -35.8 | 177.9 | -74.5 | -36 | 0 | 0 | 0 | 112.1 | S179 | D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.28Å; D175-S179 PolarHBondContact O-N 3.37Å; D175-S179 PolarHBondContact O-OG 2.93Å |
| 176 | A | 75.1 | Confident | 67.2 | Low | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.1 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S179 M180 | A176-S179 PolarHBondContact O-N 2.84Å; A176-M180 WeakPolarHBondContact O-CB 3.32Å; A176-M180 PolarHBondContact O-N 2.71Å |
| 177 | L | 76.3 | Confident | 67.2 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 25% | 0.251 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -43.7 | 173.2 | 177.1 | 59.9 | 0 | 0 | 0 | 110.9 | I166 D173 S179 M180 L181 | I166-L177 HydrophobicContact CD1-CD1 4.12Å; I166-L177 HydrophobicContact CD1-CD2 3.92Å; I166-L177 HydrophobicContact CG2-CD2 4.46Å; D173-L177 WeakPolarHBondContact O-CA 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.21Å; D173-L177 PolarHBondContact O-N 2.85Å; L177-S179 VanDerWaalsContact C-N 3.34Å; L177-S179 PolarHBondContact O-N 2.83Å; L177-M180 HydrophobicContact CD1-CE 3.53Å; L177-M180 PolarHBondContact O-N 2.87Å; L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3.39Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 3.25Å |
| 178 | G | 76.9 | Confident | 67.6 | Low | 25 Ų | 25 | 93.1 Ų | 93.1 | 26% | 0.258 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A174 M180 L181 I182 | A174-G178 PolarHBondContact O-N 3.48Å; G178-M180 PolarHBondContact O-N 3.14Å; G178-L181 PolarHBondContact O-N 3.32Å; G178-I182 WeakPolarHBondContact O-CB 3.36Å; G178-I182 WeakPolarHBondContact O-CD1 3.44Å; G178-I182 PolarHBondContact O-N 2.88Å |
| 179 | S | 76.6 | Confident | 67.4 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | D175 A176 L177 S183 | D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.28Å; D175-S179 PolarHBondContact O-N 3.37Å; D175-S179 PolarHBondContact O-OG 2.93Å; A176-S179 PolarHBondContact O-N 2.84Å; L177-S179 VanDerWaalsContact C-N 3.34Å; L177-S179 PolarHBondContact O-N 2.83Å; S179-S183 VanDerWaalsContact O-CB 3.28Å; S179-S183 WeakPolarHBondContact O-CB 3.28Å; S179-S183 PolarHBondContact O-N 3.41Å; S179-S183 PolarHBondContact O-OG 3.5Å |
| 180 | M | 84.3 | Confident | 67.2 | Low | 99 Ų | 99 | 95 Ų | 95 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 174.8 | -177.6 | -173.1 | 64.3 | 0 | 0 | 111.6 | A176 L177 G178 S183 W184 | A176-M180 WeakPolarHBondContact O-CB 3.32Å; A176-M180 PolarHBondContact O-N 2.71Å; L177-M180 HydrophobicContact CD1-CE 3.53Å; L177-M180 PolarHBondContact O-N 2.87Å; G178-M180 PolarHBondContact O-N 3.14Å; M180-S183 PolarHBondContact O-N 3.28Å; M180-W184 WeakPolarHBondContact O-CB 3.26Å; M180-W184 PolarHBondContact O-N 3.35Å |
| 181 | L | 78.5 | Confident | 67.1 | Low | 64 Ų | 64 | 96.8 Ų | 96.8 | 34% | 0.335 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 178.4 | -72.8 | 169.2 | 0 | 0 | 0 | 111.6 | L177 G178 W184 Y185 | L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3.39Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 3.25Å; G178-L181 PolarHBondContact O-N 3.32Å; L181-W184 HydrophobicContact CD2-CE3 4.31Å; L181-W184 PolarHBondContact O-N 2.84Å; L181-Y185 WeakPolarHBondContact O-CB 2.85Å; L181-Y185 PolarHBondContact O-N 2.81Å |
| 182 | I | 75.1 | Confident | 66.9 | Low | 98 Ų | 98 | 91.1 Ų | 91.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 171.3 | -87.6 | 81.4 | 0 | 0 | 0 | 110.2 | G178 W184 Y185 M186 | G178-I182 WeakPolarHBondContact O-CB 3.36Å; G178-I182 WeakPolarHBondContact O-CD1 3.44Å; G178-I182 PolarHBondContact O-N 2.88Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 2.85Å; I182-Y185 PolarHBondContact O-N 3.23Å; I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.11Å; I182-M186 WeakPolarHBondContact O-CB 3.47Å; I182-M186 WeakPolarHBondContact O-CG 2.99Å; I182-M186 PolarHBondContact O-N 2.74Å |
| 183 | S | 70.3 | Confident | 66.3 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 112 | S179 M180 S187 | S179-S183 VanDerWaalsContact O-CB 3.28Å; S179-S183 WeakPolarHBondContact O-CB 3.28Å; S179-S183 PolarHBondContact O-N 3.41Å; S179-S183 PolarHBondContact O-OG 3.5Å; M180-S183 PolarHBondContact O-N 3.28Å; S183-S187 WeakPolarHBondContact O-CB 2.94Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 VanDerWaalsContact O-N 3.13Å; S183-S187 PolarHBondContact O-OG 2.85Å |
| 184 | W | 72.2 | Confident | 65.9 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 31% | 0.307 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 176.7 | 178.2 | 64.3 | 0 | 0 | 0 | 112.9 | I160 P161 M180 L181 I182 S187 | I160-W184 HydrophobicContact CB-CZ2 4.25Å; I160-W184 HydrophobicContact CG2-CH2 3.12Å; I160-W184 HydrophobicContact CG2-CZ2 2.92Å; I160-W184 HydrophobicContact CG2-CZ3 4.03Å; P161-W184 HydrophobicContact CG-CZ2 4.21Å; P161-W184 WeakPolarHBondContact O-CZ2 3.04Å; M180-W184 WeakPolarHBondContact O-CB 3.26Å; M180-W184 PolarHBondContact O-N 3.35Å; L181-W184 HydrophobicContact CD2-CE3 4.31Å; L181-W184 PolarHBondContact O-N 2.84Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 2.85Å; W184-S187 VanDerWaalsContact CA-OG 3.3Å; W184-S187 WeakPolarHBondContact CA-OG 3.46Å; W184-S187 PolarHBondContact O-OG 2.78Å |
| 185 | Y | 71.2 | Confident | 65 | Low | 131 Ų | 131 | 102.6 Ų | 102.6 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 175.2 | 176.7 | -105.8 | 0 | 0 | 0 | 112.2 | L181 I182 S187 G188 Y189 | L181-Y185 WeakPolarHBondContact O-CB 2.85Å; L181-Y185 PolarHBondContact O-N 2.81Å; I182-Y185 PolarHBondContact O-N 3.23Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; Y185-S187 PolarHBondContact O-N 2.64Å; Y185-G188 PolarHBondContact O-N 3.34Å; Y185-Y189 HydrophobicContact CD2-CE2 4.39Å; Y185-Y189 AromaticContact CE1-CE2 3.96Å; Y185-Y189 HydrophobicContact CE1-CE2 3.96Å; Y185-Y189 AromaticContact CE2-CE2 3.78Å; Y185-Y189 HydrophobicContact CE2-CE2 3.78Å; Y185-Y189 AromaticContact CZ-CE2 3.55Å; Y185-Y189 PolarHBondContact OH-OH 3.48Å |
| 186 | M | 69 | Low | 64 | Low | 141 Ų | 141 | 102.7 Ų | 102.7 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.4 | -26.2 | 177.9 | -70.7 | -166.7 | 72.7 | 0 | 0 | 113.3 | I182 G188 | I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.11Å; I182-M186 WeakPolarHBondContact O-CB 3.47Å; I182-M186 WeakPolarHBondContact O-CG 2.99Å; I182-M186 PolarHBondContact O-N 2.74Å; M186-G188 PolarHBondContact O-N 3.39Å |
| 187 | S | 60.8 | Low | 62.6 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -0.3 | 173.4 | 44 | 0 | 0 | 0 | 0 | 113.6 | S183 W184 Y185 | S183-S187 WeakPolarHBondContact O-CB 2.94Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 VanDerWaalsContact O-N 3.13Å; S183-S187 PolarHBondContact O-OG 2.85Å; W184-S187 VanDerWaalsContact CA-OG 3.3Å; W184-S187 WeakPolarHBondContact CA-OG 3.46Å; W184-S187 PolarHBondContact O-OG 2.78Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; Y185-S187 PolarHBondContact O-N 2.64Å |
| 188 | G | 65.5 | Low | 61.2 | Low | 30 Ų | 30 | 108.4 Ų | 108.4 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107 | 15.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y185 M186 | Y185-G188 PolarHBondContact O-N 3.34Å; M186-G188 PolarHBondContact O-N 3.39Å |
| 189 | Y | 54.7 | Low | 59.5 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | trans | -119 | 69.2 | -179.4 | -83.4 | -89.5 | 0 | 0 | 0 | 113 | Y185 | Y185-Y189 HydrophobicContact CD2-CE2 4.39Å; Y185-Y189 AromaticContact CE1-CE2 3.96Å; Y185-Y189 HydrophobicContact CE1-CE2 3.96Å; Y185-Y189 AromaticContact CE2-CE2 3.78Å; Y185-Y189 HydrophobicContact CE2-CE2 3.78Å; Y185-Y189 AromaticContact CZ-CE2 3.55Å; Y185-Y189 PolarHBondContact OH-OH 3.48Å | ||
| 190 | H | 46.3 | Very low | 57.5 | Low | 172 Ų | 172 | 118.6 Ų | 118.6 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -163 | 37 | 162 | -119.5 | -75.6 | 0 | 0 | 0 | 116.9 | ||
| 191 | T | 49.6 | Very low | 55.4 | Low | 99 Ų | 99 | 120.3 Ų | 120.3 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -138 | 59.2 | 175.7 | -42.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 192 | G | 49.8 | Very low | 53.7 | Low | 49 Ų | 49 | 122.9 Ų | 122.9 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -162.5 | -14 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y194 | G192-Y194 PolarHBondContact O-N 3.35Š|
| 193 | Y | 46.6 | Very low | 52.4 | Low | 233 Ų | 233 | 126.8 Ų | 126.8 | 91% | 0.914 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 1.3 | -170.5 | -93.3 | -82.1 | 0 | 0 | 0 | 116.7 | ||
| 194 | Y | 51.4 | Low | 51 | Low | 148 Ų | 148 | 131.2 Ų | 131.2 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 3.7 | -178.6 | 51.3 | -96.9 | 0 | 0 | 0 | 115.2 | G192 T196 | G192-Y194 PolarHBondContact O-N 3.35Å; Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.49Å |
| 195 | M | 45.8 | Very low | 49.3 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 0.1 | -177.9 | -59.9 | -118.5 | 97.5 | 0 | 0 | 114.5 | ||
| 196 | T | 47.8 | Very low | 48.2 | Very low | 138 Ų | 138 | 132 Ų | 132 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 9.2 | -179.4 | 31 | 0 | 0 | 0 | 0 | 114.9 | Y194 | Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.49Å |
| 197 | G | 45.9 | Very low | 46.9 | Very low | 56 Ų | 56 | 132.2 Ų | 132.2 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -91.6 | -24.9 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 198 | F | 46.2 | Very low | 46.1 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 75% | 0.746 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -123.3 | 10.5 | -161.7 | -68.3 | -73.7 | 0 | 0 | 0 | 116.3 | ||
| 199 | H | 41.6 | Very low | 44.9 | Very low | 188 Ų | 188 | 140 Ų | 140 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -105.9 | 37.2 | 174.8 | -144.5 | -103 | 0 | 0 | 0 | 113.5 | ||
| 200 | C | 36.1 | Very low | 44.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -146 | 39.5 | 170.2 | -144.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 201 | V | 39.3 | Very low | 44.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -144.9 | 58.1 | 162.8 | -156.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 202 | S | 43.2 | Very low | 44.2 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -155.9 | 133.9 | 148.8 | -104 | 0 | 0 | 0 | 0 | 111.3 | ||
| 203 | Q | 46.5 | Very low | 43.9 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 77.9 | 86 | 175.9 | -57 | -176.7 | -24.2 | 0 | 0 | 115.2 | ||||
| 204 | D | 40.8 | Very low | 43.8 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | -147.5 | 106.7 | 110.7 | -82.4 | -39.6 | 0 | 0 | 0 | 109.1 | |||||
| 205 | G | 36.9 | Very low | 43.3 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 148.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 206 | L | 49.1 | Very low | 43.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | 30.9 | 111.5 | 146.2 | -72 | 154.6 | 0 | 0 | 0 | 116 | ||||
| 207 | N | 41.6 | Very low | 42.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | -177.9 | 124.1 | 118.2 | -94.6 | -53.6 | 0 | 0 | 0 | 113.6 | |||||
| 208 | L | 43.2 | Very low | 42.7 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 73% | 0.733 | 83% | 0.833 | S | S | * | * | trans | 81.3 | 117.4 | 135.3 | -73.4 | 156.9 | 0 | 0 | 0 | 121.7 | ||||
| 209 | L | 41.4 | Very low | 42.4 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 78% | 0.775 | 84% | 0.839 | S | S | * | * | trans | 87 | 98.7 | 134.7 | -79.4 | 154.5 | 0 | 0 | 0 | 119.4 | ||||
| 210 | T | 36.3 | Very low | 42.5 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 84% | 0.837 | S | S | * | * | -40.5 | 157 | 128.2 | 28.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 211 | P | 55 | Low | 43 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 100% | 1.273 | 84% | 0.839 | S | S | * | * | cis | -117.9 | 0 | 36.6 | 36 | -23.5 | 0 | 0 | 0 | 116.9 |
Retrieved 211 of 211 residues in 125.7 ms
(Link to these results)