| 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 | 41.3 | Very low | 47.3 | Very low | 246 Ų | 246 | 139.4 Ų | 139.4 | 100% | 1.212 | 78% | 0.781 | S | S | * | * | 0 | 96.2 | 0 | -79.1 | 170.2 | 170.5 | 0 | 0 | 107 | |||||
| 2 | E | 35.4 | Very low | 49.5 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | -125 | 91.8 | 168.9 | -168.8 | 156.2 | 109.6 | 0 | 0 | 106.1 | G4 | E2-G4 PolarHBondContact O-N 3.33Å; E2-G4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | S | 42.1 | Very low | 52.5 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | -69.8 | 103.4 | 173.6 | -63 | 0 | 0 | 0 | 0 | 107.1 | K5 | S3-K5 PolarHBondContact O-N 3.09Š| ||
| 4 | G | 44.6 | Very low | 55.1 | Low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -49.2 | 114.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E2 M6 | E2-G4 PolarHBondContact O-N 3.33Å; E2-G4 VanDerWaalsContact O-N 3.09Å; G4-M6 PolarHBondContact O-N 3.15Å | ||
| 5 | K | 41.7 | Very low | 57.4 | Low | 207 Ų | 207 | 129.3 Ų | 129.3 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | -60.6 | 97.2 | -179.2 | -169.1 | 170.6 | -178 | 177.5 | 0 | 108.5 | S3 A7 | S3-K5 PolarHBondContact O-N 3.09Å; K5-A7 PolarHBondContact O-N 3.26Å | ||
| 6 | M | 49 | Very low | 59.4 | Low | 163 Ų | 163 | 121.3 Ų | 121.3 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 122.5 | 170 | -78.7 | -160.5 | -83.2 | 0 | 0 | 108.1 | G4 S8 | G4-M6 PolarHBondContact O-N 3.15Å; M6-S8 PolarHBondContact O-N 2.96Å |
| 7 | A | 47.2 | Very low | 61.3 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 134.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | K5 | K5-A7 PolarHBondContact O-N 3.26Š|
| 8 | S | 46 | Very low | 63 | Low | 71 Ų | 71 | 120.2 Ų | 120.2 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 145 | -176.8 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | M6 K10 S11 | M6-S8 PolarHBondContact O-N 2.96Å; S8-K10 PolarHBondContact O-N 2.7Å; S8-S11 PolarHBondContact O-N 2.98Å; S8-S11 VanDerWaalsContact O-N 3.07Å |
| 9 | P | 53.9 | Low | 64.4 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -10 | -175.6 | 21.1 | -32.4 | 0 | 0 | 0 | 114.5 | Q17 | P9-Q17 PolarHBondContact O-NE2 3.48Š|
| 10 | K | 53.8 | Low | 65.6 | Low | 202 Ų | 202 | 110.8 Ų | 110.8 | 88% | 0.878 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -9.7 | 178.6 | -67.2 | -176.1 | 179.5 | 177.3 | 0 | 114.8 | S8 | S8-K10 PolarHBondContact O-N 2.7Š|
| 11 | S | 65.5 | Low | 66.8 | Low | 85 Ų | 85 | 110 Ų | 110 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -104.8 | 0.5 | 178.1 | 93 | 0 | 0 | 0 | 0 | 114.1 | S8 | S8-S11 PolarHBondContact O-N 2.98Å; S8-S11 VanDerWaalsContact O-N 3.07Å |
| 12 | M | 73.6 | Confident | 69.3 | Low | 60 Ų | 60 | 102.4 Ų | 102.4 | 30% | 0.296 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -88.6 | 132.1 | -175.6 | -169.5 | 163.5 | -96 | 0 | 0 | 109.7 | A16 Q17 I36 | M12-A16 HydrophobicContact CG-CB 3.38Å; M12-A16 HydrophobicContact SD-CB 3.96Å; M12-Q17 HydrophobicContact CB-CG 4.41Å; M12-Q17 PolarHBondContact O-NE2 3.21Å; M12-I36 HydrophobicContact CE-CD1 4.42Å; M12-I36 HydrophobicContact SD-CD1 4.35Å |
| 13 | P | 88.3 | Confident | 71.9 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | trans | -61.1 | 155.2 | -178.5 | 22.4 | -31.3 | 0 | 0 | 0 | 111.9 | D15 A16 Q17 | P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.34Å; P13-A16 HydrophobicContact CG-CB 3.83Å; P13-A16 WeakPolarHBondContact O-CB 3.38Å; P13-A16 PolarHBondContact O-N 3.11Å; P13-Q17 PolarHBondContact O-N 2.9Å | ||
| 14 | K | 88.9 | Confident | 74.3 | Confident | 173 Ų | 173 | 95.2 Ų | 95.2 | 75% | 0.752 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.9 | -42.4 | -175.2 | -70.5 | -178 | 178.9 | 180 | 0 | 112.8 | A16 Q17 M18 | K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.95Å; K14-Q17 WeakPolarHBondContact O-CB 3.47Å; K14-Q17 PolarHBondContact O-N 3.14Å; K14-M18 WeakPolarHBondContact O-CG 3.26Å; K14-M18 PolarHBondContact O-N 2.94Å |
| 15 | D | 89.8 | Confident | 76.7 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | -179.2 | -55.7 | -28.4 | 0 | 0 | 0 | 112.1 | P13 Q17 M18 M19 L40 | P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.34Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; D15-M18 WeakPolarHBondContact O-CB 3.37Å; D15-M18 PolarHBondContact O-N 2.98Å; D15-M19 WeakPolarHBondContact O-CG 3.42Å; D15-M19 PolarHBondContact O-N 3.5Å; D15-L40 HydrophobicContact CB-CD2 3.65Å |
| 16 | A | 90.1 | Very high | 79.2 | Confident | 2 Ų | 2 | 94.5 Ų | 94.5 | 2% | 0.017 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69.2 | -34.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M12 P13 K14 M19 A20 I36 L40 | M12-A16 HydrophobicContact CG-CB 3.38Å; M12-A16 HydrophobicContact SD-CB 3.96Å; P13-A16 HydrophobicContact CG-CB 3.83Å; P13-A16 WeakPolarHBondContact O-CB 3.38Å; P13-A16 PolarHBondContact O-N 3.11Å; K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.95Å; A16-M19 PolarHBondContact O-N 2.93Å; A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.39Å; A16-I36 HydrophobicContact CB-CG2 3.74Å; A16-L40 HydrophobicContact CB-CD1 3.96Å |
| 17 | Q | 90.9 | Very high | 81.2 | Confident | 93 Ų | 93 | 89.5 Ų | 89.5 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 171.4 | -64.2 | 177.6 | -6.1 | 0 | 0 | 111.7 | P9 M12 P13 K14 D15 A20 Q21 | P9-Q17 PolarHBondContact O-NE2 3.48Å; M12-Q17 HydrophobicContact CB-CG 4.41Å; M12-Q17 PolarHBondContact O-NE2 3.21Å; P13-Q17 PolarHBondContact O-N 2.9Å; K14-Q17 WeakPolarHBondContact O-CB 3.47Å; K14-Q17 PolarHBondContact O-N 3.14Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-A20 PolarHBondContact O-N 3.01Å; Q17-Q21 PolarHBondContact O-N 3.17Å |
| 18 | M | 91.1 | Very high | 83.4 | Confident | 130 Ų | 130 | 89.8 Ų | 89.8 | 64% | 0.64 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 174.5 | -68.4 | -96.4 | -77 | 0 | 0 | 111.3 | K14 D15 A20 Q21 I22 | K14-M18 WeakPolarHBondContact O-CG 3.26Å; K14-M18 PolarHBondContact O-N 2.94Å; D15-M18 WeakPolarHBondContact O-CB 3.37Å; D15-M18 PolarHBondContact O-N 2.98Å; M18-A20 VanDerWaalsContact C-N 3.34Å; M18-A20 PolarHBondContact O-N 3.2Å; M18-Q21 WeakPolarHBondContact O-CB 3.42Å; M18-Q21 PolarHBondContact O-N 3Å; M18-Q21 VanDerWaalsContact O-N 3.16Å; M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 3.47Å |
| 19 | M | 90.6 | Very high | 85.3 | Confident | 30 Ų | 30 | 92.5 Ų | 92.5 | 15% | 0.148 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 176.4 | -70.8 | -56.2 | -175.9 | 0 | 0 | 112.5 | D15 A16 Q21 I22 L23 I36 M39 L40 A43 | D15-M19 WeakPolarHBondContact O-CG 3.42Å; D15-M19 PolarHBondContact O-N 3.5Å; A16-M19 PolarHBondContact O-N 2.93Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; M19-I22 PolarHBondContact O-N 3.24Å; M19-I22 HydrophobicContact SD-CD1 4.02Å; M19-L23 WeakPolarHBondContact O-CG 3.49Å; M19-L23 PolarHBondContact O-N 2.91Å; M19-L23 VanDerWaalsContact O-N 3.13Å; M19-I36 HydrophobicContact CB-CG2 4.11Å; M19-M39 HydrophobicContact CB-CE 3.63Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.98Å; M19-M39 HydrophobicContact SD-CE 3.63Å; M19-M39 HydrophobicContact SD-CG 4.05Å; M19-M39 HydrophobicContact SD-SD 4.37Å; M19-L40 HydrophobicContact CE-CD2 3.78Å; M19-L40 HydrophobicContact CE-CG 4.5Å; M19-L40 HydrophobicContact CG-CD2 3.63Å; M19-L40 HydrophobicContact CG-CG 3.92Å; M19-A43 HydrophobicContact CE-CB 3.81Å |
| 20 | A | 89 | Confident | 87 | Confident | 21 Ų | 21 | 95.5 Ų | 95.5 | 17% | 0.174 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A16 Q17 M18 L23 K24 I36 | A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.39Å; Q17-A20 PolarHBondContact O-N 3.01Å; M18-A20 VanDerWaalsContact C-N 3.34Å; M18-A20 PolarHBondContact O-N 3.2Å; A20-L23 PolarHBondContact O-N 2.93Å; A20-K24 PolarHBondContact O-N 3.45Å; A20-I36 HydrophobicContact CB-CD1 4.11Å |
| 21 | Q | 90.6 | Very high | 88.8 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.3 | -171.8 | 60.6 | 40.2 | 0 | 0 | 111.6 | Q17 M18 M19 L23 K24 D25 | Q17-Q21 PolarHBondContact O-N 3.17Å; M18-Q21 WeakPolarHBondContact O-CB 3.42Å; M18-Q21 PolarHBondContact O-N 3Å; M18-Q21 VanDerWaalsContact O-N 3.16Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.35Å; Q21-K24 WeakPolarHBondContact O-CB 3.5Å; Q21-K24 PolarHBondContact O-N 3.31Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å |
| 22 | I | 92.9 | Very high | 90.1 | Very high | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.7 | -67.4 | 165.6 | 0 | 0 | 0 | 110.9 | M18 M19 K24 D25 M26 | M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 3.47Å; M19-I22 PolarHBondContact O-N 3.24Å; M19-I22 HydrophobicContact SD-CD1 4.02Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.28Å; I22-D25 PolarHBondContact O-N 3.03Å; I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.75Å |
| 23 | L | 91.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 92.5 Ų | 92.5 | 8% | 0.079 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.8 | -69 | 172 | 0 | 0 | 0 | 111.8 | M19 A20 Q21 M26 G27 I28 Y31 I36 M39 | M19-L23 WeakPolarHBondContact O-CG 3.49Å; M19-L23 PolarHBondContact O-N 2.91Å; M19-L23 VanDerWaalsContact O-N 3.13Å; A20-L23 PolarHBondContact O-N 2.93Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.35Å; L23-M26 PolarHBondContact O-N 2.97Å; L23-G27 PolarHBondContact O-N 3.01Å; L23-I28 HydrophobicContact CD2-CD1 4.14Å; L23-I28 PolarHBondContact O-N 2.97Å; L23-Y31 HydrophobicContact CB-CD1 4.32Å; L23-Y31 HydrophobicContact CB-CE1 4.08Å; L23-Y31 HydrophobicContact CD1-CD1 3.79Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.84Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.92Å; L23-I36 HydrophobicContact CD1-CG1 4.27Å; L23-M39 HydrophobicContact CD1-CE 4.23Å; L23-M39 HydrophobicContact CD2-CE 4.35Å; L23-M39 HydrophobicContact CG-CE 4.11Å |
| 24 | K | 92.3 | Very high | 90.8 | Very high | 146 Ų | 146 | 95.8 Ų | 95.8 | 64% | 0.635 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 176 | -166 | -178.7 | -179 | -178.1 | 0 | 112.3 | A20 Q21 I22 M26 G27 | A20-K24 PolarHBondContact O-N 3.45Å; Q21-K24 WeakPolarHBondContact O-CB 3.5Å; Q21-K24 PolarHBondContact O-N 3.31Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.28Å; K24-M26 VanDerWaalsContact C-N 3.26Å; K24-M26 PolarHBondContact O-N 3.21Å; K24-G27 PolarHBondContact O-N 3.08Å |
| 25 | D | 95.3 | Very high | 91 | Very high | 120 Ų | 120 | 90.1 Ų | 90.1 | 64% | 0.642 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.1 | -30.1 | 177.6 | -64.7 | -13 | 0 | 0 | 0 | 111.6 | Q21 I22 G27 | Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å; I22-D25 PolarHBondContact O-N 3.03Å; D25-G27 PolarHBondContact O-N 3.45Å |
| 26 | M | 92.3 | Very high | 91.1 | Very high | 140 Ų | 140 | 86.1 Ų | 86.1 | 69% | 0.69 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2 | 171.6 | -67.8 | -66.9 | -67.3 | 0 | 0 | 113.7 | I22 L23 K24 I28 | I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.75Å; L23-M26 PolarHBondContact O-N 2.97Å; K24-M26 VanDerWaalsContact C-N 3.26Å; K24-M26 PolarHBondContact O-N 3.21Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.31Å; M26-I28 HydrophobicContact CB-CG1 4.31Å |
| 27 | G | 92.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 90.3 Ų | 90.3 | 59% | 0.588 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 13.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L23 K24 D25 T29 | L23-G27 PolarHBondContact O-N 3.01Å; K24-G27 PolarHBondContact O-N 3.08Å; D25-G27 PolarHBondContact O-N 3.45Å; G27-T29 PolarHBondContact O-N 3.41Å |
| 28 | I | 92.4 | Very high | 91.3 | Very high | 76 Ų | 76 | 90.6 Ų | 90.6 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | trans | -90.5 | 106.2 | -180 | -55.6 | 173.3 | 0 | 0 | 0 | 108.9 | L23 M26 Y31 | L23-I28 HydrophobicContact CD2-CD1 4.14Å; L23-I28 PolarHBondContact O-N 2.97Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.31Å; M26-I28 HydrophobicContact CB-CG1 4.31Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å | ||
| 29 | T | 86.6 | Confident | 91.3 | Very high | 127 Ų | 127 | 86.9 Ų | 86.9 | 78% | 0.779 | 45% | 0.445 | S | S | * | . | trans | -94.2 | -21.6 | -177.1 | 54.5 | 0 | 0 | 0 | 0 | 114 | G27 | G27-T29 PolarHBondContact O-N 3.41Š| ||
| 30 | E | 90.4 | Very high | 91.5 | Very high | 173 Ų | 173 | 86.5 Ų | 86.5 | 81% | 0.808 | 44% | 0.443 | S | S | * | . | trans | -121.1 | 117.8 | -178.1 | -65.3 | -173.5 | 174.1 | 0 | 0 | 110.1 | ||||
| 31 | Y | 90.4 | Very high | 91.7 | Very high | 91 Ų | 91 | 91.5 Ų | 91.5 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | trans | -151.3 | 153.4 | 176 | 53.4 | -97.7 | 0 | 0 | 0 | 110.3 | L23 I28 I36 | L23-Y31 HydrophobicContact CB-CD1 4.32Å; L23-Y31 HydrophobicContact CB-CE1 4.08Å; L23-Y31 HydrophobicContact CD1-CD1 3.79Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.84Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.92Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å; Y31-I36 HydrophobicContact CD2-CD1 4.37Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.51Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å | ||
| 32 | E | 92.3 | Very high | 91.9 | Very high | 122 Ų | 122 | 93.4 Ų | 93.4 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | trans | -72.8 | 137.7 | 172.9 | -170 | -174.8 | 154.5 | 0 | 0 | 109.7 | R34 V35 | E32-R34 HydrophobicContact CG-CB 4.09Å; E32-R34 PolarHBondContact O-N 3.36Å; E32-R34 WeakPolarHBondContact OE1-CB 3.35Å; E32-V35 HydrophobicContact CB-CG2 4.27Å; E32-V35 WeakPolarHBondContact O-CB 3.38Å; E32-V35 WeakPolarHBondContact O-CG2 3.4Å; E32-V35 PolarHBondContact O-N 2.96Å | ||
| 33 | P | 86.4 | Confident | 91.9 | Very high | 72 Ų | 72 | 90.7 Ų | 90.7 | 47% | 0.468 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -53.7 | -27.1 | 177.3 | -27.5 | 34.5 | 0 | 0 | 0 | 114 | V35 I36 | P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 2.88Å; P33-I36 PolarHBondContact O-N 3.49Å |
| 34 | R | 91.1 | Very high | 92.1 | Very high | 156 Ų | 156 | 95.6 Ų | 95.6 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -27.9 | 177.6 | -161.8 | 170.1 | -145.2 | -114.5 | -2 | 113.4 | E32 I36 N37 Q38 | E32-R34 HydrophobicContact CG-CB 4.09Å; E32-R34 PolarHBondContact O-N 3.36Å; E32-R34 WeakPolarHBondContact OE1-CB 3.35Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.33Å; R34-N37 PolarHBondContact O-N 3.03Å; R34-Q38 HydrophobicContact CG-CG 4.48Å; R34-Q38 WeakPolarHBondContact O-CG 3.28Å; R34-Q38 PolarHBondContact O-N 3.43Å |
| 35 | V | 92.5 | Very high | 92.3 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | E32 P33 N37 Q38 M39 | E32-V35 HydrophobicContact CB-CG2 4.27Å; E32-V35 WeakPolarHBondContact O-CB 3.38Å; E32-V35 WeakPolarHBondContact O-CG2 3.4Å; E32-V35 PolarHBondContact O-N 2.96Å; P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 2.88Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.48Å; V35-Q38 PolarHBondContact O-N 2.71Å; V35-M39 VanDerWaalsContact O-CB 3.27Å; V35-M39 WeakPolarHBondContact O-CB 3.33Å; V35-M39 PolarHBondContact O-N 3.48Å |
| 36 | I | 91.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 95.1 Ų | 95.1 | 1% | 0.01 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 177.8 | -66.8 | 176.1 | 0 | 0 | 0 | 110.5 | M12 A16 M19 A20 L23 Y31 P33 R34 M39 L40 | M12-I36 HydrophobicContact CE-CD1 4.42Å; M12-I36 HydrophobicContact SD-CD1 4.35Å; A16-I36 HydrophobicContact CB-CG2 3.74Å; M19-I36 HydrophobicContact CB-CG2 4.11Å; A20-I36 HydrophobicContact CB-CD1 4.11Å; L23-I36 HydrophobicContact CD1-CG1 4.27Å; Y31-I36 HydrophobicContact CD2-CD1 4.37Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.51Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å; P33-I36 PolarHBondContact O-N 3.49Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.33Å; I36-M39 PolarHBondContact O-N 3.22Å; I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 2.83Å |
| 37 | N | 91.9 | Very high | 92.4 | Very high | 89 Ų | 89 | 92.1 Ų | 92.1 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | -179.8 | -65.5 | -23.5 | 0 | 0 | 0 | 111.7 | R34 V35 M39 L40 E41 | R34-N37 PolarHBondContact O-N 3.03Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.48Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.1Å; N37-L40 PolarHBondContact O-N 3.36Å; N37-E41 WeakPolarHBondContact O-CG 3.35Å; N37-E41 PolarHBondContact O-N 3.15Å |
| 38 | Q | 93.6 | Very high | 92.5 | Very high | 100 Ų | 100 | 92.9 Ų | 92.9 | 47% | 0.467 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.1 | -72 | 177.6 | -19.2 | 0 | 0 | 112.2 | R34 V35 E41 F42 | R34-Q38 HydrophobicContact CG-CG 4.48Å; R34-Q38 WeakPolarHBondContact O-CG 3.28Å; R34-Q38 PolarHBondContact O-N 3.43Å; V35-Q38 PolarHBondContact O-N 2.71Å; Q38-E41 PolarHBondContact O-N 3.02Å; Q38-F42 WeakPolarHBondContact O-CB 3.33Å; Q38-F42 PolarHBondContact O-N 2.87Å |
| 39 | M | 92.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 91.4 Ų | 91.4 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 177.5 | -167.8 | 161.3 | 65.9 | 0 | 0 | 111.6 | M19 L23 V35 I36 N37 F42 A43 | M19-M39 HydrophobicContact CB-CE 3.63Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.98Å; M19-M39 HydrophobicContact SD-CE 3.63Å; M19-M39 HydrophobicContact SD-CG 4.05Å; M19-M39 HydrophobicContact SD-SD 4.37Å; L23-M39 HydrophobicContact CD1-CE 4.23Å; L23-M39 HydrophobicContact CD2-CE 4.35Å; L23-M39 HydrophobicContact CG-CE 4.11Å; V35-M39 VanDerWaalsContact O-CB 3.27Å; V35-M39 WeakPolarHBondContact O-CB 3.33Å; V35-M39 PolarHBondContact O-N 3.48Å; I36-M39 PolarHBondContact O-N 3.22Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.1Å; M39-F42 PolarHBondContact O-N 3.29Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.31Å |
| 40 | L | 93.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 85.8 Ų | 85.8 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 171.5 | -75.7 | 171.2 | 0 | 0 | 0 | 111.7 | D15 A16 M19 I36 N37 F42 A43 F44 | D15-L40 HydrophobicContact CB-CD2 3.65Å; A16-L40 HydrophobicContact CB-CD1 3.96Å; M19-L40 HydrophobicContact CE-CD2 3.78Å; M19-L40 HydrophobicContact CE-CG 4.5Å; M19-L40 HydrophobicContact CG-CD2 3.63Å; M19-L40 HydrophobicContact CG-CG 3.92Å; I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 2.83Å; N37-L40 PolarHBondContact O-N 3.36Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 2.91Å; L40-A43 PolarHBondContact O-N 3.38Å; L40-F44 HydrophobicContact CB-CD2 4.45Å; L40-F44 HydrophobicContact CB-CE2 4.42Å; L40-F44 HydrophobicContact CD2-CE2 4.22Å; L40-F44 WeakPolarHBondContact O-CD2 3.31Å; L40-F44 PolarHBondContact O-N 2.94Å |
| 41 | E | 94.7 | Very high | 93.3 | Very high | 125 Ų | 125 | 81.3 Ų | 81.3 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.3 | -43.7 | 176.9 | -76.2 | 178.3 | -167.7 | 0 | 0 | 111.7 | N37 Q38 R45 | N37-E41 WeakPolarHBondContact O-CG 3.35Å; N37-E41 PolarHBondContact O-N 3.15Å; Q38-E41 PolarHBondContact O-N 3.02Å; E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.29Å; E41-R45 PolarHBondContact O-N 3.27Å |
| 42 | F | 93.9 | Very high | 93.5 | Very high | 134 Ų | 134 | 80.9 Ų | 80.9 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 175.4 | 175.6 | -99 | 0 | 0 | 0 | 111.6 | Q38 M39 L40 F44 R45 Y46 | Q38-F42 WeakPolarHBondContact O-CB 3.33Å; Q38-F42 PolarHBondContact O-N 2.87Å; M39-F42 PolarHBondContact O-N 3.29Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 2.91Å; F42-F44 PolarHBondContact O-N 3.41Å; F42-R45 PolarHBondContact O-N 2.98Å; F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.38Å; F42-Y46 PolarHBondContact O-N 3.01Å |
| 43 | A | 93.7 | Very high | 93.7 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M19 M39 L40 Y46 V47 | M19-A43 HydrophobicContact CE-CB 3.81Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.31Å; L40-A43 PolarHBondContact O-N 3.38Å; A43-Y46 PolarHBondContact O-N 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.37Å; A43-V47 PolarHBondContact O-N 2.86Å |
| 44 | F | 95 | Very high | 94.1 | Very high | 119 Ų | 119 | 73.2 Ų | 73.2 | 52% | 0.522 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.9 | -77.2 | -63.3 | 0 | 0 | 0 | 111.8 | L40 F42 Y46 V47 T48 | L40-F44 HydrophobicContact CB-CD2 4.45Å; L40-F44 HydrophobicContact CB-CE2 4.42Å; L40-F44 HydrophobicContact CD2-CE2 4.22Å; L40-F44 WeakPolarHBondContact O-CD2 3.31Å; L40-F44 PolarHBondContact O-N 2.94Å; F42-F44 PolarHBondContact O-N 3.41Å; F44-Y46 PolarHBondContact O-N 3.42Å; F44-V47 PolarHBondContact O-N 2.94Å; F44-T48 VanDerWaalsContact O-CG2 3.32Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 3.44Å; F44-T48 PolarHBondContact O-OG1 3.43Å |
| 45 | R | 95.4 | Very high | 94.3 | Very high | 187 Ų | 187 | 71.3 Ų | 71.3 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 176.3 | -73.7 | 179.3 | 71.4 | 172 | 2.4 | 111.2 | E41 F42 T48 T49 | E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.29Å; E41-R45 PolarHBondContact O-N 3.27Å; F42-R45 PolarHBondContact O-N 2.98Å; R45-T48 WeakPolarHBondContact CA-OG1 3.48Å; R45-T48 PolarHBondContact O-N 3.25Å; R45-T48 PolarHBondContact O-OG1 3.35Å; R45-T49 WeakPolarHBondContact O-CG2 3.41Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.81Å |
| 46 | Y | 94.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 178.2 | -177.8 | -103.4 | 0 | 0 | 0 | 111.6 | F42 A43 F44 T48 T49 I50 | F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.38Å; F42-Y46 PolarHBondContact O-N 3.01Å; A43-Y46 PolarHBondContact O-N 3.32Å; F44-Y46 PolarHBondContact O-N 3.42Å; Y46-T48 PolarHBondContact O-N 2.96Å; Y46-T49 PolarHBondContact O-N 2.75Å; Y46-T49 PolarHBondContact O-OG1 3.23Å; Y46-I50 HydrophobicContact CD1-CG1 4.29Å; Y46-I50 HydrophobicContact CE1-CD1 4.45Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.25Å; Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 3.17Å |
| 47 | V | 95.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 75.6 Ų | 75.6 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | A43 F44 T49 I50 L51 | A43-V47 WeakPolarHBondContact O-CG2 3.37Å; A43-V47 PolarHBondContact O-N 2.86Å; F44-V47 PolarHBondContact O-N 2.94Å; V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 2.93Å; V47-I50 PolarHBondContact O-N 3.49Å; V47-L51 HydrophobicContact CG1-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CG 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.23Å |
| 48 | T | 96.1 | Very high | 94.7 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | F44 R45 Y46 I50 L51 D52 | F44-T48 VanDerWaalsContact O-CG2 3.32Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 3.44Å; F44-T48 PolarHBondContact O-OG1 3.43Å; R45-T48 WeakPolarHBondContact CA-OG1 3.48Å; R45-T48 PolarHBondContact O-N 3.25Å; R45-T48 PolarHBondContact O-OG1 3.35Å; Y46-T48 PolarHBondContact O-N 2.96Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.88Å; T48-L51 PolarHBondContact O-N 3.27Å; T48-D52 VanDerWaalsContact O-CG 3.29Å; T48-D52 PolarHBondContact O-N 2.9Å |
| 49 | T | 94.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 70.8 Ų | 70.8 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 178 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | R45 Y46 V47 D52 D53 | R45-T49 WeakPolarHBondContact O-CG2 3.41Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.81Å; Y46-T49 PolarHBondContact O-N 2.75Å; Y46-T49 PolarHBondContact O-OG1 3.23Å; V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 2.93Å; T49-D52 PolarHBondContact O-N 3.39Å; T49-D53 VanDerWaalsContact O-CG 3.22Å; T49-D53 PolarHBondContact O-N 3.37Å |
| 50 | I | 95.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.9 | -68.3 | -74.8 | 0 | 0 | 0 | 110.9 | Y46 V47 T48 D52 D53 A54 V71 A74 I75 R78 | Y46-I50 HydrophobicContact CD1-CG1 4.29Å; Y46-I50 HydrophobicContact CE1-CD1 4.45Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.25Å; Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.49Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.88Å; I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D53 PolarHBondContact O-N 3.47Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.49Å; I50-V71 HydrophobicContact CG2-CG1 4.21Å; I50-A74 HydrophobicContact CD1-CB 4.49Å; I50-A74 HydrophobicContact CG2-CB 4.14Å; I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.1Å; I50-R78 HydrophobicContact CD1-CB 3.96Å; I50-R78 HydrophobicContact CD1-CG 3.64Å |
| 51 | L | 95.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 76.8 Ų | 76.8 | 41% | 0.414 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 178.5 | -69.8 | 175.4 | 0 | 0 | 0 | 112.3 | V47 T48 A54 K55 | V47-L51 HydrophobicContact CG1-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CG 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.23Å; T48-L51 PolarHBondContact O-N 3.27Å; L51-A54 PolarHBondContact O-N 2.94Å; L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.14Å |
| 52 | D | 95.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 80.1 Ų | 80.1 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 173.8 | -70.4 | -23.8 | 0 | 0 | 0 | 111.1 | T48 T49 I50 A54 K55 I56 | T48-D52 VanDerWaalsContact O-CG 3.29Å; T48-D52 PolarHBondContact O-N 2.9Å; T49-D52 PolarHBondContact O-N 3.39Å; I50-D52 VanDerWaalsContact C-N 3.35Å; D52-A54 PolarHBondContact O-N 3.45Å; D52-K55 PolarHBondContact O-N 3.43Å; D52-K55 IonicContact OD1-NZ 2.98Å; D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å |
| 53 | D | 95.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 78 Ų | 78 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 173.9 | -66.3 | -22.2 | 0 | 0 | 0 | 110.9 | T49 I50 K55 I56 Y57 A74 R78 | T49-D53 VanDerWaalsContact O-CG 3.22Å; T49-D53 PolarHBondContact O-N 3.37Å; I50-D53 PolarHBondContact O-N 3.47Å; D53-K55 PolarHBondContact O-N 3.47Å; D53-I56 WeakPolarHBondContact O-CB 3.34Å; D53-I56 PolarHBondContact O-N 3.49Å; D53-I56 VanDerWaalsContact O-N 3.15Å; D53-Y57 HydrophobicContact CB-CE2 4.24Å; D53-Y57 WeakPolarHBondContact O-CD2 3.32Å; D53-Y57 PolarHBondContact O-N 3.06Å; D53-A74 HydrophobicContact CB-CB 4Å; D53-R78 IonicContact OD1-NH2 3.72Å; D53-R78 IonicContact OD2-CZ 2.7Å; D53-R78 IonicContact OD2-NE 3.77Å; D53-R78 PolarHBondContact OD2-NE 3.04Å; D53-R78 IonicContact OD2-NH2 2.94Å; D53-R78 PolarHBondContact OD2-NH2 3.15Å |
| 54 | A | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I50 L51 D52 I56 Y57 S58 V66 D70 V71 A74 | I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 2.94Å; D52-A54 PolarHBondContact O-N 3.45Å; A54-I56 VanDerWaalsContact C-N 3.3Å; A54-I56 PolarHBondContact O-N 3.28Å; A54-Y57 PolarHBondContact O-N 3.46Å; A54-S58 PolarHBondContact O-N 2.78Å; A54-V66 HydrophobicContact CB-CG1 3.86Å; A54-D70 HydrophobicContact CB-CB 4.22Å; A54-V71 HydrophobicContact CB-CG2 4.08Å; A54-A74 HydrophobicContact CB-CB 4.43Å |
| 55 | K | 95.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 80.6 Ų | 80.6 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 172.7 | -76.9 | 171.2 | -173.6 | 165.3 | 0 | 111.9 | L51 D52 D53 S59 V66 | L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.14Å; D52-K55 PolarHBondContact O-N 3.43Å; D52-K55 IonicContact OD1-NZ 2.98Å; D53-K55 PolarHBondContact O-N 3.47Å; K55-S59 WeakPolarHBondContact O-CB 3.14Å; K55-S59 PolarHBondContact O-N 3.4Å; K55-S59 PolarHBondContact O-OG 2.82Å; K55-V66 HydrophobicContact CG-CG2 4.11Å |
| 56 | I | 95.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 74.9 Ų | 74.9 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.5 | -67.6 | 165.6 | 0 | 0 | 0 | 109.1 | D52 D53 A54 S59 H60 | D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å; D53-I56 WeakPolarHBondContact O-CB 3.34Å; D53-I56 PolarHBondContact O-N 3.49Å; D53-I56 VanDerWaalsContact O-N 3.15Å; A54-I56 VanDerWaalsContact C-N 3.3Å; A54-I56 PolarHBondContact O-N 3.28Å; I56-S59 WeakPolarHBondContact O-CB 3.29Å; I56-S59 PolarHBondContact O-N 3.46Å; I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.39Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.46Å; I56-H60 PolarHBondContact O-CD2 2.94Å; I56-H60 PolarHBondContact O-N 3.34Å |
| 57 | Y | 94.7 | Very high | 94.5 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 178.4 | -58.6 | -40 | 0 | 0 | 0 | 113.5 | D53 A54 S59 H60 A61 L73 A74 | D53-Y57 HydrophobicContact CB-CE2 4.24Å; D53-Y57 WeakPolarHBondContact O-CD2 3.32Å; D53-Y57 PolarHBondContact O-N 3.06Å; A54-Y57 PolarHBondContact O-N 3.46Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 2.9Å; Y57-H60 WeakPolarHBondContact O-CB 3.36Å; Y57-H60 PolarHBondContact O-N 3.35Å; Y57-H60 VanDerWaalsContact O-N 3.14Å; Y57-A61 PolarHBondContact O-N 3.15Å; Y57-L73 HydrophobicContact CD1-CD2 4.28Å; Y57-L73 HydrophobicContact CD2-CB 4.39Å; Y57-L73 HydrophobicContact CD2-CD2 4.12Å; Y57-L73 HydrophobicContact CD2-CG 4.24Å; Y57-L73 HydrophobicContact CE2-CD2 4.35Å; Y57-L73 HydrophobicContact CE2-CG 4.13Å; Y57-L73 HydrophobicContact CG-CD2 4.1Å; Y57-A74 HydrophobicContact CD2-CB 4.18Å; Y57-A74 HydrophobicContact CE2-CB 3.74Å |
| 58 | S | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.028 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | A54 A61 K62 K63 T65 | A54-S58 PolarHBondContact O-N 2.78Å; S58-A61 CarbonylContact O-C 3.59Å; S58-A61 PolarHBondContact O-N 3.26Å; S58-K62 PolarHBondContact O-N 2.87Å; S58-K62 VanDerWaalsContact O-N 3.15Å; S58-K63 PolarHBondContact O-N 3.45Å; S58-K63 PolarHBondContact OG-O 3.03Å; S58-T65 PolarHBondContact OG-O 2.98Å; S58-T65 VanDerWaalsContact OG-O 3.11Å |
| 59 | S | 94.9 | Very high | 94.4 | Very high | 84 Ų | 84 | 75.1 Ų | 75.1 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.5 | -40 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | K55 I56 Y57 A61 K62 | K55-S59 WeakPolarHBondContact O-CB 3.14Å; K55-S59 PolarHBondContact O-N 3.4Å; K55-S59 PolarHBondContact O-OG 2.82Å; I56-S59 WeakPolarHBondContact O-CB 3.29Å; I56-S59 PolarHBondContact O-N 3.46Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 2.9Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 3.46Å; S59-K62 PolarHBondContact O-N 2.97Å; S59-K62 VanDerWaalsContact O-N 3.09Å |
| 60 | H | 94.7 | Very high | 94.4 | Very high | 148 Ų | 148 | 73.7 Ų | 73.7 | 69% | 0.685 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 173.4 | -77.3 | -69.1 | 0 | 0 | 0 | 112.6 | I56 Y57 K62 | I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.39Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.46Å; I56-H60 PolarHBondContact O-CD2 2.94Å; I56-H60 PolarHBondContact O-N 3.34Å; Y57-H60 WeakPolarHBondContact O-CB 3.36Å; Y57-H60 PolarHBondContact O-N 3.35Å; Y57-H60 VanDerWaalsContact O-N 3.14Å; H60-K62 PolarHBondContact O-N 3.16Å |
| 61 | A | 93.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 75.2 Ų | 75.2 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y57 S58 S59 K63 | Y57-A61 PolarHBondContact O-N 3.15Å; S58-A61 CarbonylContact O-C 3.59Å; S58-A61 PolarHBondContact O-N 3.26Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 3.46Å; A61-K63 HydrophobicContact CB-CD 4.08Å; A61-K63 HydrophobicContact CB-CG 4.01Å; A61-K63 PolarHBondContact O-N 3.27Å |
| 62 | K | 94.3 | Very high | 94.4 | Very high | 195 Ų | 195 | 78.8 Ų | 78.8 | 85% | 0.848 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.8 | -174.6 | -55.9 | 178.8 | -178.4 | 177 | 0 | 113.1 | S58 S59 H60 | S58-K62 PolarHBondContact O-N 2.87Å; S58-K62 VanDerWaalsContact O-N 3.15Å; S59-K62 PolarHBondContact O-N 2.97Å; S59-K62 VanDerWaalsContact O-N 3.09Å; H60-K62 PolarHBondContact O-N 3.16Å |
| 63 | K | 92.9 | Very high | 94.4 | Very high | 91 Ų | 91 | 78.5 Ų | 78.5 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -95.7 | 140.8 | 175.1 | -62.5 | 177.9 | -178.6 | 178.9 | 0 | 109.8 | S58 A61 D67 | S58-K63 PolarHBondContact O-N 3.45Å; S58-K63 PolarHBondContact OG-O 3.03Å; A61-K63 HydrophobicContact CB-CD 4.08Å; A61-K63 HydrophobicContact CB-CG 4.01Å; A61-K63 PolarHBondContact O-N 3.27Å; K63-D67 WeakPolarHBondContact CD-OD2 3.39Å; K63-D67 IonicContact NZ-OD2 3.95Å; K63-D67 PolarHBondContact NZ-OD2 3.32Å | ||
| 64 | A | 89.3 | Confident | 94.4 | Very high | 109 Ų | 109 | 77 Ų | 77 | 90% | 0.901 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -84.6 | -16.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 65 | T | 93.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 80.5 Ų | 80.5 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -117.6 | 138.6 | -178.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | S58 | S58-T65 PolarHBondContact OG-O 2.98Å; S58-T65 VanDerWaalsContact OG-O 3.11Å |
| 66 | V | 94 | Very high | 94.2 | Very high | 67 Ų | 67 | 80.7 Ų | 80.7 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | trans | -78 | 122.7 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | A54 K55 D70 V71 | A54-V66 HydrophobicContact CB-CG1 3.86Å; K55-V66 HydrophobicContact CG-CG2 4.11Å; V66-D70 HydrophobicContact CG1-CB 4.14Å; V66-V71 HydrophobicContact CG1-CG2 4.05Å | ||
| 67 | D | 94.7 | Very high | 94 | Very high | 59 Ų | 59 | 79.1 Ų | 79.1 | 32% | 0.316 | 43% | 0.433 | S | S | . | . | trans | -93 | 163.8 | 178.7 | -67.9 | -30.8 | 0 | 0 | 0 | 111.7 | K63 D69 D70 V71 | K63-D67 WeakPolarHBondContact CD-OD2 3.39Å; K63-D67 IonicContact NZ-OD2 3.95Å; K63-D67 PolarHBondContact NZ-OD2 3.32Å; D67-D69 PolarHBondContact O-N 3.2Å; D67-D70 PolarHBondContact N-OD2 3.43Å; D67-D70 PolarHBondContact O-N 2.91Å; D67-D70 VanDerWaalsContact O-N 3.17Å; D67-V71 PolarHBondContact O-N 3.46Å | ||
| 68 | A | 94.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 56% | 0.562 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.3 | -29.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V71 R72 | A68-V71 PolarHBondContact O-N 3.39Å; A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 3.37Å |
| 69 | D | 94.5 | Very high | 93.5 | Very high | 96 Ų | 96 | 80.8 Ų | 80.8 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.4 | -32.5 | 178.4 | -64.8 | -33.3 | 0 | 0 | 0 | 112.3 | D67 V71 R72 L73 | D67-D69 PolarHBondContact O-N 3.2Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-CZ 3.75Å; D69-R72 IonicContact OD1-NH1 3.59Å; D69-R72 PolarHBondContact OD1-NH1 3.31Å; D69-L73 WeakPolarHBondContact O-CB 3.29Å; D69-L73 PolarHBondContact O-N 3.2Å |
| 70 | D | 94.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 83.5 Ų | 83.5 | 8% | 0.075 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.4 | -59.3 | -40.7 | 0 | 0 | 0 | 110.7 | A54 V66 D67 A74 | A54-D70 HydrophobicContact CB-CB 4.22Å; V66-D70 HydrophobicContact CG1-CB 4.14Å; D67-D70 PolarHBondContact N-OD2 3.43Å; D67-D70 PolarHBondContact O-N 2.91Å; D67-D70 VanDerWaalsContact O-N 3.17Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.46Å |
| 71 | V | 95.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 83.9 Ų | 83.9 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | I50 A54 V66 D67 A68 D69 L73 A74 I75 | I50-V71 HydrophobicContact CG2-CG1 4.21Å; A54-V71 HydrophobicContact CB-CG2 4.08Å; V66-V71 HydrophobicContact CG1-CG2 4.05Å; D67-V71 PolarHBondContact O-N 3.46Å; A68-V71 PolarHBondContact O-N 3.39Å; D69-V71 VanDerWaalsContact C-N 3.33Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 3.19Å; V71-A74 PolarHBondContact O-N 3.18Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.36Å |
| 72 | R | 95.4 | Very high | 92 | Very high | 155 Ų | 155 | 85.2 Ų | 85.2 | 59% | 0.585 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 176 | -75.9 | 167.7 | 176.9 | 172 | -4.4 | 111.6 | A68 D69 I75 Q76 | A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 3.37Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-CZ 3.75Å; D69-R72 IonicContact OD1-NH1 3.59Å; D69-R72 PolarHBondContact OD1-NH1 3.31Å; R72-I75 PolarHBondContact O-N 2.95Å; R72-Q76 WeakPolarHBondContact O-CG 3.37Å; R72-Q76 PolarHBondContact O-N 3.38Å |
| 73 | L | 95.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 82 Ų | 82 | 40% | 0.398 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.7 | -178.5 | 60.9 | 0 | 0 | 0 | 111.2 | Y57 D69 V71 I75 Q76 C77 | Y57-L73 HydrophobicContact CD1-CD2 4.28Å; Y57-L73 HydrophobicContact CD2-CB 4.39Å; Y57-L73 HydrophobicContact CD2-CD2 4.12Å; Y57-L73 HydrophobicContact CD2-CG 4.24Å; Y57-L73 HydrophobicContact CE2-CD2 4.35Å; Y57-L73 HydrophobicContact CE2-CG 4.13Å; Y57-L73 HydrophobicContact CG-CD2 4.1Å; D69-L73 WeakPolarHBondContact O-CB 3.29Å; D69-L73 PolarHBondContact O-N 3.2Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 3.19Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.45Å; L73-Q76 PolarHBondContact O-N 3.02Å; L73-C77 PolarHBondContact O-N 3.37Å; L73-C77 PolarHBondContact O-SG 2.91Å |
| 74 | A | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I50 D53 A54 Y57 D70 V71 R78 | I50-A74 HydrophobicContact CD1-CB 4.49Å; I50-A74 HydrophobicContact CG2-CB 4.14Å; D53-A74 HydrophobicContact CB-CB 4Å; A54-A74 HydrophobicContact CB-CB 4.43Å; Y57-A74 HydrophobicContact CD2-CB 4.18Å; Y57-A74 HydrophobicContact CE2-CB 3.74Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.46Å; V71-A74 PolarHBondContact O-N 3.18Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CG 3.35Å; A74-R78 PolarHBondContact O-N 3.5Å; A74-R78 VanDerWaalsContact O-N 3.08Å |
| 75 | I | 94.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 83.1 Ų | 83.1 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.6 | -67.3 | 165.3 | 0 | 0 | 0 | 110.8 | I50 V71 R72 L73 R78 A79 | I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.1Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.36Å; R72-I75 PolarHBondContact O-N 2.95Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.45Å; I75-R78 PolarHBondContact O-N 3.03Å; I75-A79 VanDerWaalsContact O-CB 3.31Å; I75-A79 WeakPolarHBondContact O-CB 3.23Å; I75-A79 PolarHBondContact O-N 3.13Å |
| 76 | Q | 92.9 | Very high | 89.5 | Confident | 121 Ų | 121 | 84 Ų | 84 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -49.9 | 179 | -76.1 | 179.2 | -12.7 | 0 | 0 | 111.9 | R72 L73 R78 A79 D80 | R72-Q76 WeakPolarHBondContact O-CG 3.37Å; R72-Q76 PolarHBondContact O-N 3.38Å; L73-Q76 PolarHBondContact O-N 3.02Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å; Q76-A79 WeakPolarHBondContact O-CB 3.35Å; Q76-A79 PolarHBondContact O-N 3.44Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; Q76-D80 PolarHBondContact O-N 3.39Å |
| 77 | C | 91.4 | Very high | 88.9 | Confident | 54 Ų | 54 | 83.9 Ų | 83.9 | 37% | 0.365 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61 | -37 | 178.9 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | L73 Q81 | L73-C77 PolarHBondContact O-N 3.37Å; L73-C77 PolarHBondContact O-SG 2.91Å; C77-Q81 PolarHBondContact O-N 3.13Å |
| 78 | R | 90.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 24% | 0.242 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 174.9 | -76.6 | -74.3 | -174.3 | 166.6 | -1.8 | 112.8 | I50 D53 A74 I75 Q76 Q81 S82 | I50-R78 HydrophobicContact CD1-CB 3.96Å; I50-R78 HydrophobicContact CD1-CG 3.64Å; D53-R78 IonicContact OD1-NH2 3.72Å; D53-R78 IonicContact OD2-CZ 2.7Å; D53-R78 IonicContact OD2-NE 3.77Å; D53-R78 PolarHBondContact OD2-NE 3.04Å; D53-R78 IonicContact OD2-NH2 2.94Å; D53-R78 PolarHBondContact OD2-NH2 3.15Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CG 3.35Å; A74-R78 PolarHBondContact O-N 3.5Å; A74-R78 VanDerWaalsContact O-N 3.08Å; I75-R78 PolarHBondContact O-N 3.03Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å; R78-Q81 PolarHBondContact O-N 3.28Å; R78-S82 WeakPolarHBondContact O-CB 3.12Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.4Å |
| 79 | A | 88.5 | Confident | 88.5 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 28% | 0.281 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I75 Q76 Q81 S82 F83 | I75-A79 VanDerWaalsContact O-CB 3.31Å; I75-A79 WeakPolarHBondContact O-CB 3.23Å; I75-A79 PolarHBondContact O-N 3.13Å; Q76-A79 WeakPolarHBondContact O-CB 3.35Å; Q76-A79 PolarHBondContact O-N 3.44Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; A79-Q81 PolarHBondContact O-N 2.94Å; A79-S82 PolarHBondContact O-N 2.93Å; A79-F83 CarbonylContact O-C 3.51Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.36Å; A79-F83 PolarHBondContact O-N 3.43Å; A79-F83 VanDerWaalsContact O-O 3.07Å |
| 80 | D | 86.3 | Confident | 88.3 | Confident | 140 Ų | 140 | 91 Ų | 91 | 75% | 0.749 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -28.7 | -179.1 | -64.6 | -23 | 0 | 0 | 0 | 113.4 | Q76 | Q76-D80 PolarHBondContact O-N 3.39Å |
| 81 | Q | 84.9 | Confident | 88.2 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 73% | 0.734 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -88.9 | -37.4 | -177.5 | -162.7 | 170.6 | 41.1 | 0 | 0 | 113.7 | C77 R78 A79 | C77-Q81 PolarHBondContact O-N 3.13Å; R78-Q81 PolarHBondContact O-N 3.28Å; A79-Q81 PolarHBondContact O-N 2.94Å |
| 82 | S | 81 | Confident | 88 | Confident | 78 Ų | 78 | 98.2 Ų | 98.2 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -106.8 | -25.3 | -170.9 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | R78 A79 | R78-S82 WeakPolarHBondContact O-CB 3.12Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.4Å; A79-S82 PolarHBondContact O-N 2.93Å |
| 83 | F | 79.9 | Confident | 88 | Confident | 127 Ų | 127 | 94 Ų | 94 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | trans | -110 | 108.6 | -177.2 | -63.3 | -93.7 | 0 | 0 | 0 | 109.1 | A79 S85 | A79-F83 CarbonylContact O-C 3.51Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.36Å; A79-F83 PolarHBondContact O-N 3.43Å; A79-F83 VanDerWaalsContact O-O 3.07Å; F83-S85 PolarHBondContact O-N 3.37Å | ||
| 84 | T | 82.4 | Confident | 88 | Confident | 131 Ų | 131 | 94.4 Ų | 94.4 | 80% | 0.804 | 51% | 0.506 | S | S | * | . | trans | -81.7 | 115.3 | 168.5 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | S | 75.5 | Confident | 87.9 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 136.9 | 159.8 | 56.8 | 0 | 0 | 0 | 0 | 108.1 | F83 | F83-S85 PolarHBondContact O-N 3.37Š|
| 86 | P | 78.3 | Confident | 87.9 | Confident | 112 Ų | 112 | 95.7 Ų | 95.7 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 133.1 | 174 | 23 | -32.2 | 0 | 0 | 0 | 109 | ||
| 87 | P | 82.2 | Confident | 88 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -54 | 143.4 | -179.2 | -25.5 | 32.7 | 0 | 0 | 0 | 111.1 | R89 F91 L92 | P87-R89 PolarHBondContact O-N 2.94Å; P87-F91 HydrophobicContact CB-CD1 4.05Å; P87-L92 HydrophobicContact CB-CD2 4.5Å; P87-L92 HydrophobicContact CB-CG 4.33Å |
| 88 | P | 89.8 | Confident | 88.2 | Confident | 87 Ų | 87 | 101 Ų | 101 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 143.1 | 180 | 23.1 | -31.4 | 0 | 0 | 0 | 110.4 | D90 F91 L92 | P88-D90 PolarHBondContact O-N 2.96Å; P88-D90 VanDerWaalsContact O-N 3.15Å; P88-F91 HydrophobicContact CG-CB 3.91Å; P88-F91 WeakPolarHBondContact O-CB 3.31Å; P88-F91 PolarHBondContact O-N 3.3Å; P88-L92 PolarHBondContact O-N 3.04Å |
| 89 | R | 90.1 | Very high | 88.4 | Confident | 176 Ų | 176 | 106.5 Ų | 106.5 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.5 | -37.9 | -175.9 | -178.1 | 175 | 179.3 | -87.8 | -1.4 | 112.3 | P87 F91 L92 L93 | P87-R89 PolarHBondContact O-N 2.94Å; R89-F91 VanDerWaalsContact C-N 3.35Å; R89-F91 PolarHBondContact O-N 3.2Å; R89-L92 PolarHBondContact O-N 3.01Å; R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 HydrophobicContact CG-CG 4.37Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.48Å |
| 90 | D | 91.2 | Very high | 88.6 | Confident | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.9 | -38.5 | -178.4 | -57.6 | -36.3 | 0 | 0 | 0 | 111.9 | P88 L92 L93 D94 | P88-D90 PolarHBondContact O-N 2.96Å; P88-D90 VanDerWaalsContact O-N 3.15Å; D90-L92 PolarHBondContact O-N 3.34Å; D90-L93 WeakPolarHBondContact O-CB 3.46Å; D90-L93 PolarHBondContact O-N 3.37Å; D90-D94 PolarHBondContact O-N 3.01Å |
| 91 | F | 92.5 | Very high | 89 | Confident | 113 Ų | 113 | 111 Ų | 111 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 173.7 | 180 | -106.7 | 0 | 0 | 0 | 111.7 | P87 P88 R89 L93 D94 I95 | P87-F91 HydrophobicContact CB-CD1 4.05Å; P88-F91 HydrophobicContact CG-CB 3.91Å; P88-F91 WeakPolarHBondContact O-CB 3.31Å; P88-F91 PolarHBondContact O-N 3.3Å; R89-F91 VanDerWaalsContact C-N 3.35Å; R89-F91 PolarHBondContact O-N 3.2Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; F91-D94 PolarHBondContact O-N 3.42Å; F91-I95 HydrophobicContact CD1-CD1 3.89Å; F91-I95 HydrophobicContact CE1-CD1 3.44Å; F91-I95 VanDerWaalsContact CE1-CD1 3.44Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.73Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 2.9Å; F91-I95 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 92.3 | Very high | 89.4 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 174.3 | -69.6 | 174.6 | 0 | 0 | 0 | 112.3 | P87 P88 R89 D90 A96 | P87-L92 HydrophobicContact CB-CD2 4.5Å; P87-L92 HydrophobicContact CB-CG 4.33Å; P88-L92 PolarHBondContact O-N 3.04Å; R89-L92 PolarHBondContact O-N 3.01Å; D90-L92 PolarHBondContact O-N 3.34Å; L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.27Å; L92-A96 PolarHBondContact O-N 2.87Å |
| 93 | L | 94.8 | Very high | 89.8 | Confident | 67 Ų | 67 | 109.8 Ų | 109.8 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -36.9 | 176.3 | -76.1 | 176.8 | 0 | 0 | 0 | 112.6 | R89 D90 F91 A96 R97 | R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 HydrophobicContact CG-CG 4.37Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.48Å; D90-L93 WeakPolarHBondContact O-CB 3.46Å; D90-L93 PolarHBondContact O-N 3.37Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; L93-A96 PolarHBondContact O-N 3.41Å; L93-R97 WeakPolarHBondContact O-CB 3.43Å; L93-R97 PolarHBondContact O-N 3.34Å |
| 94 | D | 93.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 111.3 Ų | 111.3 | 44% | 0.444 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.5 | -43.5 | 175.9 | -72.9 | -23.8 | 0 | 0 | 0 | 111.5 | D90 F91 A96 R97 Q98 | D90-D94 PolarHBondContact O-N 3.01Å; F91-D94 PolarHBondContact O-N 3.42Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 3.32Å; D94-R97 PolarHBondContact O-N 3.49Å; D94-R97 IonicContact OD1-CZ 2.71Å; D94-R97 IonicContact OD1-NH1 2.86Å; D94-R97 PolarHBondContact OD1-NH1 2.94Å; D94-R97 IonicContact OD1-NH2 3.36Å; D94-Q98 PolarHBondContact O-N 3.3Å |
| 95 | I | 93.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 110.3 Ų | 110.3 | 35% | 0.349 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.6 | -45.9 | 171.8 | -66.1 | 169.9 | 0 | 0 | 0 | 110.2 | F91 R97 Q98 R99 | F91-I95 HydrophobicContact CD1-CD1 3.89Å; F91-I95 HydrophobicContact CE1-CD1 3.44Å; F91-I95 VanDerWaalsContact CE1-CD1 3.44Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.73Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 2.9Å; F91-I95 VanDerWaalsContact O-N 3.14Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.86Å; I95-Q98 PolarHBondContact O-N 2.99Å; I95-R99 HydrophobicContact CG2-CG 4.22Å; I95-R99 WeakPolarHBondContact O-CB 3.34Å; I95-R99 VanDerWaalsContact O-CG 3.29Å; I95-R99 WeakPolarHBondContact O-CG 3.41Å; I95-R99 PolarHBondContact O-N 3.07Å |
| 96 | A | 94.6 | Very high | 90.8 | Very high | 34 Ų | 34 | 113.9 Ų | 113.9 | 28% | 0.281 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.9 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | L92 L93 D94 Q98 R99 N100 | L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.27Å; L92-A96 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 3.41Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 3.32Å; A96-Q98 PolarHBondContact O-N 2.94Å; A96-R99 PolarHBondContact O-N 3.37Å; A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.44Å; A96-N100 PolarHBondContact O-ND2 3.38Å; A96-N100 PolarHBondContact O-OD1 3.25Å |
| 97 | R | 95.3 | Very high | 90.9 | Very high | 151 Ų | 151 | 116.5 Ų | 116.5 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.9 | -45.6 | 176.6 | -166.5 | -174.2 | -61.1 | 118.4 | 4.3 | 110.8 | L93 D94 I95 Q101 | L93-R97 WeakPolarHBondContact O-CB 3.43Å; L93-R97 PolarHBondContact O-N 3.34Å; D94-R97 PolarHBondContact O-N 3.49Å; D94-R97 IonicContact OD1-CZ 2.71Å; D94-R97 IonicContact OD1-NH1 2.86Å; D94-R97 PolarHBondContact OD1-NH1 2.94Å; D94-R97 IonicContact OD1-NH2 3.36Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.86Å; R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.4Å; R97-Q101 PolarHBondContact O-N 3.47Å |
| 98 | Q | 95.4 | Very high | 90.5 | Very high | 136 Ų | 136 | 121.7 Ų | 121.7 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -42.3 | 178.1 | -173.2 | -179 | -1.2 | 0 | 0 | 112.3 | D94 I95 A96 | D94-Q98 PolarHBondContact O-N 3.3Å; I95-Q98 PolarHBondContact O-N 2.99Å; A96-Q98 PolarHBondContact O-N 2.94Å |
| 99 | R | 93.3 | Very high | 89.9 | Confident | 180 Ų | 180 | 123.9 Ų | 123.9 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -39.8 | 179.2 | -66.3 | -62.1 | -66.1 | 159.7 | -2.4 | 112.3 | I95 A96 Q101 T102 | I95-R99 HydrophobicContact CG2-CG 4.22Å; I95-R99 WeakPolarHBondContact O-CB 3.34Å; I95-R99 VanDerWaalsContact O-CG 3.29Å; I95-R99 WeakPolarHBondContact O-CG 3.41Å; I95-R99 PolarHBondContact O-N 3.07Å; A96-R99 PolarHBondContact O-N 3.37Å; R99-Q101 VanDerWaalsContact C-N 3.26Å; R99-Q101 PolarHBondContact O-N 3.32Å; R99-T102 PolarHBondContact O-N 3.36Å |
| 100 | N | 94.4 | Very high | 88.8 | Confident | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77 | -9 | -177.5 | -63.8 | -12.2 | 0 | 0 | 0 | 113.6 | A96 T102 | A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.44Å; A96-N100 PolarHBondContact O-ND2 3.38Å; A96-N100 PolarHBondContact O-OD1 3.25Å; N100-T102 PolarHBondContact O-N 3.48Å |
| 101 | Q | 94.8 | Very high | 87.6 | Confident | 140 Ų | 140 | 125.4 Ų | 125.4 | 65% | 0.654 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -26 | 170.5 | -81.8 | 167.4 | 22.9 | 0 | 0 | 112.8 | R97 R99 P103 | R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.4Å; R97-Q101 PolarHBondContact O-N 3.47Å; R99-Q101 VanDerWaalsContact C-N 3.26Å; R99-Q101 PolarHBondContact O-N 3.32Å; Q101-P103 VanDerWaalsContact O-CD 3.31Å; Q101-P103 WeakPolarHBondContact O-CD 3.43Å |
| 102 | T | 91.8 | Very high | 87 | Confident | 100 Ų | 100 | 122.2 Ų | 122.2 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -79 | 114 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | R99 N100 | R99-T102 PolarHBondContact O-N 3.36Å; N100-T102 PolarHBondContact O-N 3.48Å |
| 103 | P | 89.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.7 | 179.2 | 27.5 | -34.5 | 0 | 0 | 0 | 110.3 | Q101 | Q101-P103 VanDerWaalsContact O-CD 3.31Å; Q101-P103 WeakPolarHBondContact O-CD 3.43Å |
| 104 | L | 88.7 | Confident | 85.4 | Confident | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 141.1 | 178.9 | -64 | 174.5 | 0 | 0 | 0 | 110.5 | ||
| 105 | P | 87 | Confident | 84.8 | Confident | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.9 | 172.5 | -22.9 | 33.2 | 0 | 0 | 0 | 111.2 | I107 | P105-I107 PolarHBondContact O-N 3.4Š|
| 106 | L | 83.8 | Confident | 84.4 | Confident | 169 Ų | 169 | 133.4 Ų | 133.4 | 89% | 0.885 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.1 | 178.2 | -69.8 | 86.9 | 0 | 0 | 0 | 110.5 | K108 | L106-K108 PolarHBondContact O-N 3.21Š|
| 107 | I | 81.4 | Confident | 83.8 | Confident | 166 Ų | 166 | 135.2 Ų | 135.2 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | trans | -75.5 | 114.1 | 176.3 | -55.4 | 172.4 | 0 | 0 | 0 | 107.6 | P105 | P105-I107 PolarHBondContact O-N 3.4Š| ||
| 108 | K | 73.7 | Confident | 83.1 | Confident | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | -75 | 142.9 | 170.1 | -69.2 | -173.3 | 178.9 | -174.6 | 0 | 109 | L106 Y110 | L106-K108 PolarHBondContact O-N 3.21Å; K108-Y110 PolarHBondContact O-N 3.32Å | ||
| 109 | P | 77.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 137.5 Ų | 137.5 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -71.8 | 24.2 | -177.3 | 30.6 | -36.4 | 0 | 0 | 0 | 114.3 | ||
| 110 | Y | 66.8 | Low | 81.8 | Confident | 196 Ų | 196 | 136.7 Ų | 136.7 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -82.4 | 119.1 | 177.2 | -172.3 | -96.5 | 0 | 0 | 0 | 109.4 | K108 G112 | K108-Y110 PolarHBondContact O-N 3.32Å; Y110-G112 PolarHBondContact O-N 3.24Å | ||
| 111 | S | 66.1 | Low | 81.3 | Confident | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | -69.3 | 95.9 | 176.6 | -55 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 112 | G | 78.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 133 Ų | 133 | 46% | 0.464 | 70% | 0.7 | S | S | . | * | S | Bend | trans | 165.9 | 160.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | Y110 R114 | Y110-G112 PolarHBondContact O-N 3.24Å; G112-R114 PolarHBondContact O-N 2.96Å |
| 113 | P | 78.8 | Confident | 80.3 | Confident | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -65.8 | 125.3 | 175.4 | 25.9 | -31.5 | 0 | 0 | 0 | 110.5 | L115 | P113-L115 PolarHBondContact O-N 3.4Š| ||
| 114 | R | 75.4 | Confident | 79.9 | Confident | 225 Ų | 225 | 131.1 Ų | 131.1 | 85% | 0.849 | 69% | 0.694 | S | S | * | * | trans | -80 | 104.7 | 177.3 | -175 | 173.7 | -176.6 | -94.4 | 1.4 | 109.8 | G112 | G112-R114 PolarHBondContact O-N 2.96Š| ||
| 115 | L | 81.8 | Confident | 79.6 | Confident | 128 Ų | 128 | 128.2 Ų | 128.2 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.4 | 168.8 | -63.5 | 177 | 0 | 0 | 0 | 110.2 | P113 | P113-L115 PolarHBondContact O-N 3.4Š|
| 116 | P | 83.9 | Confident | 79.3 | Confident | 68 Ų | 68 | 130.2 Ų | 130.2 | 44% | 0.442 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 161.2 | 162.8 | -24.2 | 35.1 | 0 | 0 | 0 | 111.1 | C121 | P116-C121 PolarHBondContact O-SG 2.75Š|
| 117 | P | 83.3 | Confident | 79.3 | Confident | 73 Ų | 73 | 130.2 Ų | 130.2 | 47% | 0.474 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -49.9 | 144.9 | 169.4 | -24 | 30.2 | 0 | 0 | 0 | 111.2 | R119 Y120 C121 | P117-R119 PolarHBondContact O-N 3.18Å; P117-Y120 HydrophobicContact CB-CD2 3.91Å; P117-Y120 HydrophobicContact CB-CE2 4.35Å; P117-Y120 HydrophobicContact CG-CD2 3.9Å; P117-Y120 HydrophobicContact CG-CE2 4.18Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å; P117-C121 PolarHBondContact O-N 2.97Å |
| 118 | D | 79.2 | Confident | 79.3 | Confident | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -51.7 | -31.4 | -173.5 | -172.7 | 58.1 | 0 | 0 | 0 | 113.9 | Y120 C121 | D118-Y120 PolarHBondContact O-N 3.36Å; D118-C121 WeakPolarHBondContact O-CB 3.43Å; D118-C121 PolarHBondContact O-N 2.88Å |
| 119 | R | 80.9 | Confident | 79.8 | Confident | 209 Ų | 209 | 132.9 Ų | 132.9 | 79% | 0.789 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -61 | -23.9 | 173.8 | -60.1 | -172.2 | -61.9 | -178.8 | 0.4 | 114.7 | P117 | P117-R119 PolarHBondContact O-N 3.18Š|
| 120 | Y | 81.5 | Confident | 79.9 | Confident | 163 Ų | 163 | 135 Ų | 135 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -105.4 | 4.1 | 176.2 | -54.1 | -68.7 | 0 | 0 | 0 | 111.9 | P117 D118 | P117-Y120 HydrophobicContact CB-CD2 3.91Å; P117-Y120 HydrophobicContact CB-CE2 4.35Å; P117-Y120 HydrophobicContact CG-CD2 3.9Å; P117-Y120 HydrophobicContact CG-CE2 4.18Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å; D118-Y120 PolarHBondContact O-N 3.36Å |
| 121 | C | 84 | Confident | 80.4 | Confident | 26 Ų | 26 | 130.6 Ų | 130.6 | 18% | 0.176 | 68% | 0.677 | C | S | . | * | S | Bend | trans | -90.8 | 133.8 | 172.4 | -70.8 | 0 | 0 | 0 | 0 | 109.9 | P116 P117 D118 T123 | P116-C121 PolarHBondContact O-SG 2.75Å; P117-C121 PolarHBondContact O-N 2.97Å; D118-C121 WeakPolarHBondContact O-CB 3.43Å; D118-C121 PolarHBondContact O-N 2.88Å; C121-T123 VanDerWaalsContact CB-OG1 3.28Å; C121-T123 WeakPolarHBondContact CB-OG1 3.28Å; C121-T123 PolarHBondContact O-N 3.04Å; C121-T123 VanDerWaalsContact O-N 3.08Å |
| 122 | L | 83.3 | Confident | 80.8 | Confident | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 41.4 | 175.7 | -61.3 | 174.2 | 0 | 0 | 0 | 111.6 | ||
| 123 | T | 82.4 | Confident | 80.3 | Confident | 104 Ų | 104 | 139.2 Ų | 139.2 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -21.7 | -178.7 | 25.6 | 0 | 0 | 0 | 0 | 112.7 | C121 | C121-T123 VanDerWaalsContact CB-OG1 3.28Å; C121-T123 WeakPolarHBondContact CB-OG1 3.28Å; C121-T123 PolarHBondContact O-N 3.04Å; C121-T123 VanDerWaalsContact O-N 3.08Å |
| 124 | A | 80.9 | Confident | 79.4 | Confident | 66 Ų | 66 | 142.3 Ų | 142.3 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -74.3 | 137.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N126 | A124-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 80.9 | Confident | 78.7 | Confident | 99 Ų | 99 | 141 Ų | 141 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -60.9 | 117.5 | 173.4 | -20.5 | 31 | 0 | 0 | 0 | 111.3 | Y127 | P125-Y127 HydrophobicContact CB-CE1 4.46Å; P125-Y127 PolarHBondContact O-N 3.26Å | ||
| 126 | N | 81.7 | Confident | 77.6 | Confident | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -78 | 10.3 | 174.9 | -71.8 | -30.8 | 0 | 0 | 0 | 113.6 | A124 | A124-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact O-N 3.15Å |
| 127 | Y | 84.1 | Confident | 75.9 | Confident | 169 Ų | 169 | 141 Ų | 141 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | trans | -137.3 | 143.9 | -179.4 | 64.7 | -85.9 | 0 | 0 | 0 | 110.7 | P125 L129 | P125-Y127 HydrophobicContact CB-CE1 4.46Å; P125-Y127 PolarHBondContact O-N 3.26Å; Y127-L129 HydrophobicContact CE2-CD1 4.1Å | ||
| 128 | R | 81.7 | Confident | 74.8 | Confident | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | trans | -116.1 | 120 | 167.6 | -65.5 | -177.8 | 84.1 | 168 | 5.3 | 107.8 | K130 | R128-K130 PolarHBondContact O-N 3.15Š| ||
| 129 | L | 82.2 | Confident | 73.4 | Confident | 156 Ų | 156 | 141.7 Ų | 141.7 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.2 | 169.2 | -87.2 | 135.8 | 0 | 0 | 0 | 108.2 | Y127 S131 | Y127-L129 HydrophobicContact CE2-CD1 4.1Å; L129-S131 PolarHBondContact O-N 3.2Å |
| 130 | K | 80.4 | Confident | 72.1 | Confident | 177 Ų | 177 | 137 Ų | 137 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 116.3 | 166.9 | -67.7 | -178 | 179.7 | 178.9 | 0 | 106.4 | R128 L132 | R128-K130 PolarHBondContact O-N 3.15Å; K130-L132 PolarHBondContact O-N 3.27Å; K130-L132 VanDerWaalsContact O-N 3.08Å |
| 131 | S | 77.9 | Confident | 70.8 | Confident | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118 | 170.7 | 57.3 | 0 | 0 | 0 | 0 | 107.7 | L129 Q133 | L129-S131 PolarHBondContact O-N 3.2Å; S131-Q133 PolarHBondContact O-N 3.27Å |
| 132 | L | 72.8 | Confident | 69.2 | Low | 169 Ų | 169 | 142.4 Ų | 142.4 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 107.7 | 169.5 | -156.8 | 74.4 | 0 | 0 | 0 | 105.5 | K130 K134 | K130-L132 PolarHBondContact O-N 3.27Å; K130-L132 VanDerWaalsContact O-N 3.08Å; L132-K134 PolarHBondContact O-N 3.01Å | ||
| 133 | Q | 68.8 | Low | 67.7 | Low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -56.8 | 107.7 | 172.6 | -73.6 | -175.3 | -27.6 | 0 | 0 | 106.4 | S131 K135 | S131-Q133 PolarHBondContact O-N 3.27Å; Q133-K135 PolarHBondContact O-N 3.09Å | ||
| 134 | K | 59.5 | Low | 66.4 | Low | 191 Ų | 191 | 143.3 Ų | 143.3 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 92.5 | 171.2 | -173.7 | 175.5 | -177.5 | 176.6 | 0 | 105.5 | L132 A136 | L132-K134 PolarHBondContact O-N 3.01Å; K134-A136 PolarHBondContact O-N 3.37Å | ||
| 135 | K | 61 | Low | 64.8 | Low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -55.3 | 114.6 | 167.2 | -141.3 | 174.6 | -177 | 179.8 | 0 | 104.5 | Q133 | Q133-K135 PolarHBondContact O-N 3.09Š| ||
| 136 | A | 59.4 | Low | 63.2 | Low | 80 Ų | 80 | 147.9 Ų | 147.9 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 139.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | K134 A138 | K134-A136 PolarHBondContact O-N 3.37Å; A136-A138 PolarHBondContact O-N 3.2Å |
| 137 | P | 48 | Very low | 61.8 | Low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.9 | 176.8 | 23.8 | -30.4 | 0 | 0 | 0 | 107.9 | ||
| 138 | A | 59.7 | Low | 59.8 | Low | 85 Ų | 85 | 152 Ų | 152 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | A136 A140 | A136-A138 PolarHBondContact O-N 3.2Å; A138-A140 PolarHBondContact O-N 3Å |
| 139 | P | 50.5 | Low | 58.6 | Low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 138.8 | -179.9 | 23.5 | -32.2 | 0 | 0 | 0 | 110.5 | G141 | P139-G141 PolarHBondContact O-N 3.08Š|
| 140 | A | 52.6 | Low | 56.9 | Low | 110 Ų | 110 | 145.2 Ų | 145.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -52.2 | 127.4 | -171 | 0 | 0 | 0 | 0 | 0 | 112.6 | A138 | A138-A140 PolarHBondContact O-N 3Š|
| 141 | G | 54.5 | Low | 55.2 | Low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 164.1 | 37.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | P139 | P139-G141 PolarHBondContact O-N 3.08Š| ||
| 142 | R | 50.2 | Low | 54.1 | Low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -174.2 | 126.7 | 151.4 | -129.5 | 168 | 167.9 | 161.1 | -4.5 | 111.8 | T144 | R142-T144 PolarHBondContact O-N 3.28Š| ||
| 143 | I | 52.3 | Low | 52.8 | Low | 170 Ų | 170 | 139.3 Ų | 139.3 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -79.5 | 115 | 173 | -58.4 | 170.2 | 0 | 0 | 0 | 108 | ||||
| 144 | T | 54.6 | Low | 51.8 | Low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -131.1 | 126 | 163.8 | 55.5 | 0 | 0 | 0 | 0 | 108.7 | R142 | R142-T144 PolarHBondContact O-N 3.28Š| ||
| 145 | V | 48 | Very low | 51 | Low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 138.1 | -176.8 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | R147 | V145-R147 PolarHBondContact O-N 2.85Š|
| 146 | P | 47.8 | Very low | 50.3 | Low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.4 | 178.8 | 27.7 | -23.9 | 0 | 0 | 0 | 111.1 | ||
| 147 | R | 52.8 | Low | 49.4 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 120.6 | 164.8 | -178.3 | -166.6 | 175.1 | 164.5 | 1.7 | 108.9 | V145 S149 | V145-R147 PolarHBondContact O-N 2.85Å; R147-S149 PolarHBondContact O-N 2.79Å |
| 148 | L | 42.2 | Very low | 49.2 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118.9 | 171.6 | -79 | 134.2 | 0 | 0 | 0 | 110.2 | ||
| 149 | S | 54.5 | Low | 48.7 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -108.1 | 117.3 | 168.8 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | R147 G151 | R147-S149 PolarHBondContact O-N 2.79Å; S149-G151 PolarHBondContact O-N 3.01Å | ||
| 150 | V | 47.9 | Very low | 48.4 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 110.1 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 151 | G | 44.3 | Very low | 48 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -69 | 132.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | S149 | S149-G151 PolarHBondContact O-N 3.01Š| ||
| 152 | S | 54.1 | Low | 47.4 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 128.7 | 175.9 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | S154 | S152-S154 PolarHBondContact O-N 3.49Š| ||
| 153 | V | 46.8 | Very low | 47 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -77.2 | 108.6 | 168.9 | -70.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 154 | S | 48.1 | Very low | 46.8 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | -101.9 | 103.1 | 168.8 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | S152 R156 | S152-S154 PolarHBondContact O-N 3.49Å; S154-R156 PolarHBondContact O-N 3.01Å | ||
| 155 | S | 40.8 | Very low | 46.2 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 103.2 | 168.8 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 156 | R | 46.6 | Very low | 46.1 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -98.3 | 116.8 | 164.2 | -112.1 | -177.6 | 179.3 | -140.7 | 0.6 | 108.7 | S154 S158 | S154-R156 PolarHBondContact O-N 3.01Å; R156-S158 PolarHBondContact O-N 3.43Å | ||
| 157 | P | 41 | Very low | 45.9 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -68.6 | 124.4 | 173 | 26.1 | -29.1 | 0 | 0 | 0 | 108.8 | ||||
| 158 | S | 44.5 | Very low | 45.1 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -92.3 | 108.3 | 171.4 | -56.6 | 0 | 0 | 0 | 0 | 107.5 | R156 | R156-S158 PolarHBondContact O-N 3.43Š| ||
| 159 | T | 48.8 | Very low | 44.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.3 | 169.1 | 37.9 | 0 | 0 | 0 | 0 | 109.7 | T161 | T159-T161 PolarHBondContact O-N 3.46Š|
| 160 | P | 44.1 | Very low | 44.1 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 118.3 | 176.9 | 28.4 | -30.4 | 0 | 0 | 0 | 109.8 | ||
| 161 | T | 43.9 | Very low | 43.9 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.9 | 170.5 | 24.3 | 0 | 0 | 0 | 0 | 110.3 | T159 G163 | T159-T161 PolarHBondContact O-N 3.46Å; T161-G163 PolarHBondContact O-N 3.4Å |
| 162 | L | 42.9 | Very low | 43.9 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.7 | 174.7 | -161.8 | 73.2 | 0 | 0 | 0 | 109.1 | ||
| 163 | G | 41.2 | Very low | 43.3 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T161 | T161-G163 PolarHBondContact O-N 3.4Š|
| 164 | T | 47.7 | Very low | 43.1 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.5 | 176 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 165 | P | 43.2 | Very low | 42.8 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 133.3 | 174.4 | 31.1 | -31.2 | 0 | 0 | 0 | 111.1 | ||
| 166 | T | 44 | Very low | 43 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 138 | 170.5 | 30.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 167 | P | 44 | Very low | 42.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.4 | 176.9 | 30.3 | -30 | 0 | 0 | 0 | 110.7 | ||
| 168 | Q | 35.6 | Very low | 42.8 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 126.6 | 167.2 | -72.4 | -177.8 | -21.2 | 0 | 0 | 108.8 | ||
| 169 | T | 38.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 83% | 0.834 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 146.7 | 169.8 | -42.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 170 | M | 38.8 | Very low | 42.1 | Very low | 262 Ų | 262 | 146.6 Ų | 146.6 | 100% | 1.291 | 87% | 0.87 | S | S | * | * | trans | -39.1 | 0 | -170.7 | -67.2 | -173.7 | 165.1 | 0 | 0 | 117.1 |
Retrieved 170 of 170 residues in 58 ms
(Link to these results)