| 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 | 35 | Very low | 48.2 | Very low | 242 Ų | 242 | 126.7 Ų | 126.7 | 100% | 1.192 | 71% | 0.713 | S | S | * | * | 0 | 125.1 | 0 | -82.1 | 170.1 | -176.8 | 0 | 0 | 108.9 | |||||
| 2 | R | 31.8 | Very low | 50.8 | Low | 243 Ų | 243 | 120.8 Ų | 120.8 | 92% | 0.917 | 68% | 0.678 | S | S | * | * | trans | -87.4 | 113 | 170.7 | -138.7 | 176.9 | -169.8 | 157.3 | 0.9 | 105.3 | E4 | R2-E4 PolarHBondContact O-N 3.04Å; R2-E4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 33.1 | Very low | 52.9 | Low | 164 Ų | 164 | 113.9 Ų | 113.9 | 86% | 0.859 | 64% | 0.642 | S | S | * | * | trans | -67.1 | 107.7 | 173.3 | -88.8 | 135.9 | 0 | 0 | 0 | 107.6 | T5 | L3-T5 PolarHBondContact O-N 2.83Š| ||
| 4 | E | 46.5 | Very low | 54.6 | Low | 175 Ų | 175 | 107.6 Ų | 107.6 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -68.6 | 114.9 | 163.8 | -68 | -169.5 | 156.9 | 0 | 0 | 107 | R2 F6 | R2-E4 PolarHBondContact O-N 3.04Å; R2-E4 VanDerWaalsContact O-N 3.13Å; E4-F6 PolarHBondContact O-N 3.28Å; E4-F6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | T | 39.4 | Very low | 56.2 | Low | 132 Ų | 132 | 101.6 Ų | 101.6 | 81% | 0.81 | 58% | 0.575 | S | S | * | * | trans | -67.1 | 106.3 | 171.8 | 45.8 | 0 | 0 | 0 | 0 | 108.1 | L3 | L3-T5 PolarHBondContact O-N 2.83Š| ||
| 6 | F | 50.9 | Low | 57.5 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 34% | 0.342 | 54% | 0.543 | S | S | . | . | trans | -86.9 | 127.6 | 176.7 | -153.5 | -97.6 | 0 | 0 | 0 | 109.5 | E4 G8 D12 A14 F15 | E4-F6 PolarHBondContact O-N 3.28Å; E4-F6 VanDerWaalsContact O-N 3.1Å; F6-G8 VanDerWaalsContact CD1-N 3.34Å; F6-G8 WeakPolarHBondContact CD1-O 3.35Å; F6-D12 HydrophobicContact CE1-CB 3.98Å; F6-D12 WeakPolarHBondContact CE1-OD2 3.41Å; F6-D12 HydrophobicContact CZ-CB 4.43Å; F6-D12 VanDerWaalsContact CZ-CG 3.5Å; F6-D12 WeakPolarHBondContact CZ-OD2 3.14Å; F6-A14 HydrophobicContact CE1-CB 4.49Å; F6-A14 HydrophobicContact CE2-CB 3.51Å; F6-A14 HydrophobicContact CZ-CB 3.39Å; F6-F15 HydrophobicContact CD1-CB 3.76Å; F6-F15 HydrophobicContact CD1-CD2 4.13Å; F6-F15 HydrophobicContact CD1-CG 4.45Å; F6-F15 HydrophobicContact CE1-CB 3.52Å; F6-F15 HydrophobicContact CZ-CB 4.41Å | ||
| 7 | T | 52.6 | Low | 58.8 | Low | 148 Ų | 148 | 93.8 Ų | 93.8 | 91% | 0.908 | 53% | 0.526 | S | S | * | . | trans | -101.8 | 6.1 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | G | 51.3 | Low | 59.9 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 18% | 0.175 | 52% | 0.515 | C | S | . | . | trans | -99.1 | 133.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F6 | F6-G8 VanDerWaalsContact CD1-N 3.34Å; F6-G8 WeakPolarHBondContact CD1-O 3.35Å | ||
| 9 | G | 58 | Low | 60.5 | Low | 51 Ų | 51 | 88.8 Ų | 88.8 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | trans | -85.2 | -171.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | G11 D12 | G9-G11 PolarHBondContact O-N 3.27Å; G9-D12 WeakPolarHBondContact O-CB 3.39Å; G9-D12 PolarHBondContact O-N 3.02Å | ||
| 10 | A | 60.8 | Low | 61.2 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 78% | 0.777 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 128.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 11 | G | 71.3 | Confident | 61.9 | Low | 50 Ų | 50 | 84.7 Ų | 84.7 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -10.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | G9 P13 | G9-G11 PolarHBondContact O-N 3.27Å; G11-P13 WeakPolarHBondContact O-CD 3.31Å |
| 12 | D | 79.4 | Confident | 63.8 | Low | 56 Ų | 56 | 77 Ų | 77 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | trans | -76.3 | 119.1 | 165.9 | -171.6 | -30.2 | 0 | 0 | 0 | 109.9 | F6 G9 A14 F15 E16 | F6-D12 HydrophobicContact CE1-CB 3.98Å; F6-D12 WeakPolarHBondContact CE1-OD2 3.41Å; F6-D12 HydrophobicContact CZ-CB 4.43Å; F6-D12 VanDerWaalsContact CZ-CG 3.5Å; F6-D12 WeakPolarHBondContact CZ-OD2 3.14Å; G9-D12 WeakPolarHBondContact O-CB 3.39Å; G9-D12 PolarHBondContact O-N 3.02Å; D12-A14 PolarHBondContact O-N 3.14Å; D12-A14 VanDerWaalsContact O-N 3.15Å; D12-A14 PolarHBondContact OD1-N 2.95Å; D12-F15 HydrophobicContact CB-CB 4Å; D12-F15 WeakPolarHBondContact O-CB 3.5Å; D12-F15 PolarHBondContact O-N 2.83Å; D12-F15 VanDerWaalsContact O-N 3.1Å; D12-E16 WeakPolarHBondContact O-CG 3.25Å; D12-E16 PolarHBondContact O-N 2.99Å | ||
| 13 | P | 77.3 | Confident | 65.8 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.7 | -32 | 179.9 | -24 | 33.8 | 0 | 0 | 0 | 114 | G11 E16 K17 R40 W41 | G11-P13 WeakPolarHBondContact O-CD 3.31Å; P13-E16 PolarHBondContact O-N 3.14Å; P13-K17 WeakPolarHBondContact O-CB 3.01Å; P13-K17 PolarHBondContact O-N 3.17Å; P13-R40 HydrophobicContact CB-CB 4.14Å; P13-R40 HydrophobicContact CG-CB 4.09Å; P13-W41 HydrophobicContact CB-CB 3.63Å; P13-W41 HydrophobicContact CB-CG 4.4Å; P13-W41 WeakPolarHBondContact O-CB 3.2Å |
| 14 | A | 76.8 | Confident | 67.6 | Low | 25 Ų | 25 | 64 Ų | 64 | 21% | 0.207 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.2 | -32.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F6 D12 H18 | F6-A14 HydrophobicContact CE1-CB 4.49Å; F6-A14 HydrophobicContact CE2-CB 3.51Å; F6-A14 HydrophobicContact CZ-CB 3.39Å; D12-A14 PolarHBondContact O-N 3.14Å; D12-A14 VanDerWaalsContact O-N 3.15Å; D12-A14 PolarHBondContact OD1-N 2.95Å; A14-H18 PolarHBondContact O-N 2.91Å |
| 15 | F | 79.3 | Confident | 68.6 | Low | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 167.2 | 176.3 | -103.9 | 0 | 0 | 0 | 110.6 | F6 D12 K17 H18 C19 E155 | F6-F15 HydrophobicContact CD1-CB 3.76Å; F6-F15 HydrophobicContact CD1-CD2 4.13Å; F6-F15 HydrophobicContact CD1-CG 4.45Å; F6-F15 HydrophobicContact CE1-CB 3.52Å; F6-F15 HydrophobicContact CZ-CB 4.41Å; D12-F15 HydrophobicContact CB-CB 4Å; D12-F15 WeakPolarHBondContact O-CB 3.5Å; D12-F15 PolarHBondContact O-N 2.83Å; D12-F15 VanDerWaalsContact O-N 3.1Å; F15-K17 VanDerWaalsContact C-N 3.3Å; F15-K17 PolarHBondContact O-N 3.33Å; F15-H18 WeakPolarHBondContact O-CA 3.41Å; F15-H18 WeakPolarHBondContact O-CB 3.5Å; F15-H18 PolarHBondContact O-N 3.23Å; F15-C19 WeakPolarHBondContact CE1-SG 3.42Å; F15-C19 WeakPolarHBondContact CZ-SG 3.46Å; F15-C19 PolarHBondContact O-N 3.08Å; F15-C19 PolarHBondContact O-SG 3.13Å; F15-E155 HydrophobicContact CE2-CG 3.39Å; F15-E155 HydrophobicContact CZ-CG 3.6Å |
| 16 | E | 77.3 | Confident | 70 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | -178.5 | -65.1 | 170.2 | 138.8 | 0 | 0 | 111.6 | D12 P13 C19 F20 G37 T38 R40 | D12-E16 WeakPolarHBondContact O-CG 3.25Å; D12-E16 PolarHBondContact O-N 2.99Å; P13-E16 PolarHBondContact O-N 3.14Å; E16-C19 PolarHBondContact O-N 2.71Å; E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.3Å; E16-G37 WeakPolarHBondContact OE2-CA 3.41Å; E16-T38 PolarHBondContact O-OG1 2.96Å; E16-R40 IonicContact OE1-NH2 2.83Å; E16-R40 PolarHBondContact OE1-NH2 3.13Å; E16-R40 IonicContact OE2-CZ 3.8Å; E16-R40 IonicContact OE2-NE 2.85Å; E16-R40 IonicContact OE2-NH2 3.67Å; E16-R40 PolarHBondContact OE2-NH2 2.97Å |
| 17 | K | 78.6 | Confident | 71 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 24% | 0.239 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 171.1 | -175.2 | -116.8 | -179.5 | 178.8 | 0 | 112.1 | P13 F15 F20 V21 T38 W41 | P13-K17 WeakPolarHBondContact O-CB 3.01Å; P13-K17 PolarHBondContact O-N 3.17Å; F15-K17 VanDerWaalsContact C-N 3.3Å; F15-K17 PolarHBondContact O-N 3.33Å; K17-F20 PolarHBondContact O-N 3.43Å; K17-V21 WeakPolarHBondContact O-CG2 3.26Å; K17-V21 PolarHBondContact O-N 2.96Å; K17-V21 VanDerWaalsContact O-N 3.12Å; K17-T38 HydrophobicContact CB-CG2 4.48Å; K17-T38 HydrophobicContact CG-CG2 4.35Å; K17-W41 HydrophobicContact CB-CB 4.23Å; K17-W41 HydrophobicContact CB-CD2 4.02Å; K17-W41 HydrophobicContact CB-CE3 4.39Å; K17-W41 HydrophobicContact CB-CG 3.94Å; K17-W41 HydrophobicContact CD-CD2 4.01Å; K17-W41 HydrophobicContact CD-CE3 4.1Å; K17-W41 HydrophobicContact CD-CH2 3.94Å; K17-W41 HydrophobicContact CD-CZ2 3.86Å; K17-W41 HydrophobicContact CD-CZ3 4.07Å; K17-W41 HydrophobicContact CG-CD2 3.85Å; K17-W41 HydrophobicContact CG-CE3 3.8Å; K17-W41 HydrophobicContact CG-CG 4.32Å; K17-W41 HydrophobicContact CG-CZ3 4.15Å |
| 18 | H | 78.6 | Confident | 71.5 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 174.3 | -178.2 | 74.9 | 0 | 0 | 0 | 111.2 | A14 F15 F20 V21 Q22 | A14-H18 PolarHBondContact O-N 2.91Å; F15-H18 WeakPolarHBondContact O-CA 3.41Å; F15-H18 WeakPolarHBondContact O-CB 3.5Å; F15-H18 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact C-N 3.3Å; H18-F20 PolarHBondContact O-N 3.47Å; H18-V21 PolarHBondContact O-N 3.45Å; H18-Q22 PolarHBondContact CE1-NE2 3.02Å; H18-Q22 PolarHBondContact NE2-NE2 3.38Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 3.19Å |
| 19 | C | 72.1 | Confident | 72.6 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | F15 E16 V21 Q22 M23 I34 | F15-C19 WeakPolarHBondContact CE1-SG 3.42Å; F15-C19 WeakPolarHBondContact CZ-SG 3.46Å; F15-C19 PolarHBondContact O-N 3.08Å; F15-C19 PolarHBondContact O-SG 3.13Å; E16-C19 PolarHBondContact O-N 2.71Å; C19-V21 PolarHBondContact O-N 3.31Å; C19-Q22 PolarHBondContact O-N 3.46Å; C19-M23 WeakPolarHBondContact O-CB 3.49Å; C19-M23 VanDerWaalsContact O-CG 3.25Å; C19-M23 WeakPolarHBondContact O-CG 3.46Å; C19-M23 PolarHBondContact O-N 2.94Å; C19-I34 HydrophobicContact CB-CD1 3.76Å; C19-I34 HydrophobicContact CB-CG2 4.27Å |
| 20 | F | 74.4 | Confident | 73.3 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 176.2 | 176.5 | -92.8 | 0 | 0 | 0 | 112.1 | E16 K17 H18 Q22 M23 R24 I30 I34 T38 | E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.3Å; K17-F20 PolarHBondContact O-N 3.43Å; H18-F20 VanDerWaalsContact C-N 3.3Å; H18-F20 PolarHBondContact O-N 3.47Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.22Å; F20-M23 PolarHBondContact O-N 3.04Å; F20-R24 HydrophobicContact CD1-CG 4.12Å; F20-R24 HydrophobicContact CE1-CG 3.7Å; F20-R24 HydrophobicContact CE2-CG 4.12Å; F20-R24 HydrophobicContact CZ-CG 3.7Å; F20-R24 WeakPolarHBondContact O-CB 3.49Å; F20-R24 VanDerWaalsContact O-CG 3.31Å; F20-R24 WeakPolarHBondContact O-CG 3.5Å; F20-R24 PolarHBondContact O-N 2.87Å; F20-I30 HydrophobicContact CD2-CD1 3.91Å; F20-I30 HydrophobicContact CD2-CG2 3.99Å; F20-I30 HydrophobicContact CE2-CD1 3.59Å; F20-I30 HydrophobicContact CE2-CG2 4.39Å; F20-I30 HydrophobicContact CZ-CD1 4.35Å; F20-I34 HydrophobicContact CB-CG2 3.74Å; F20-I34 HydrophobicContact CD2-CG2 4.44Å; F20-T38 HydrophobicContact CB-CG2 4.35Å; F20-T38 WeakPolarHBondContact CB-OG1 3.35Å; F20-T38 HydrophobicContact CD1-CG2 4.21Å; F20-T38 HydrophobicContact CG-CG2 4.14Å |
| 21 | V | 76 | Confident | 74.1 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 178 | 172 | 0 | 0 | 0 | 0 | 110.7 | K17 H18 C19 R24 A25 V137 | K17-V21 WeakPolarHBondContact O-CG2 3.26Å; K17-V21 PolarHBondContact O-N 2.96Å; K17-V21 VanDerWaalsContact O-N 3.12Å; H18-V21 PolarHBondContact O-N 3.45Å; C19-V21 PolarHBondContact O-N 3.31Å; V21-R24 PolarHBondContact O-N 2.94Å; V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.88Å; V21-V137 HydrophobicContact CG1-CG2 4.05Å |
| 22 | Q | 74.1 | Confident | 74.3 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 178.2 | -62.9 | -70.7 | 25.2 | 0 | 0 | 112 | H18 C19 F20 R24 A25 A26 | H18-Q22 PolarHBondContact CE1-NE2 3.02Å; H18-Q22 PolarHBondContact NE2-NE2 3.38Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 3.19Å; C19-Q22 PolarHBondContact O-N 3.46Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.22Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 3.24Å; Q22-A25 PolarHBondContact O-N 3.3Å; Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.21Å |
| 23 | M | 74.1 | Confident | 74.1 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 177 | -71.7 | -179.9 | 122.2 | 0 | 0 | 111.9 | C19 F20 A26 N27 A28 R29 I30 I34 I152 | C19-M23 WeakPolarHBondContact O-CB 3.49Å; C19-M23 VanDerWaalsContact O-CG 3.25Å; C19-M23 WeakPolarHBondContact O-CG 3.46Å; C19-M23 PolarHBondContact O-N 2.94Å; F20-M23 PolarHBondContact O-N 3.04Å; M23-A26 CarbonylContact O-C 3.48Å; M23-A26 PolarHBondContact O-N 2.93Å; M23-N27 PolarHBondContact O-N 3.38Å; M23-N27 VanDerWaalsContact O-N 3.13Å; M23-A28 HydrophobicContact CB-CB 4.11Å; M23-A28 HydrophobicContact CG-CB 4.34Å; M23-A28 WeakPolarHBondContact O-CB 3.39Å; M23-A28 PolarHBondContact O-N 3.31Å; M23-R29 WeakPolarHBondContact CE-O 3.47Å; M23-I30 HydrophobicContact CB-CG1 4.08Å; M23-I30 HydrophobicContact SD-CB 4.49Å; M23-I30 HydrophobicContact SD-CG2 4.17Å; M23-I34 HydrophobicContact SD-CB 4.4Å; M23-I34 HydrophobicContact SD-CG1 4.14Å; M23-I34 HydrophobicContact SD-CG2 4.12Å; M23-I152 HydrophobicContact CE-CD1 3.91Å |
| 24 | R | 70.1 | Confident | 74.1 | Confident | 120 Ų | 120 | 56.5 Ų | 56.5 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.3 | -49.3 | 175.3 | -76 | -73.3 | -70.4 | 167.7 | -5 | 111.9 | F20 V21 Q22 A26 N27 I30 D134 | F20-R24 HydrophobicContact CD1-CG 4.12Å; F20-R24 HydrophobicContact CE1-CG 3.7Å; F20-R24 HydrophobicContact CE2-CG 4.12Å; F20-R24 HydrophobicContact CZ-CG 3.7Å; F20-R24 WeakPolarHBondContact O-CB 3.49Å; F20-R24 VanDerWaalsContact O-CG 3.31Å; F20-R24 WeakPolarHBondContact O-CG 3.5Å; F20-R24 PolarHBondContact O-N 2.87Å; V21-R24 PolarHBondContact O-N 2.94Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 3.24Å; R24-A26 PolarHBondContact O-N 3.16Å; R24-A26 VanDerWaalsContact O-N 3.14Å; R24-N27 PolarHBondContact O-N 3.31Å; R24-I30 VanDerWaalsContact CD-CD1 3.47Å; R24-I30 HydrophobicContact CG-CD1 3.71Å; R24-D134 IonicContact NH2-OD1 3.75Å; R24-D134 PolarHBondContact NH2-OD1 2.9Å; R24-D134 VanDerWaalsContact NH2-OD1 3.11Å |
| 25 | A | 67.9 | Low | 74.1 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.7 | -29.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V21 Q22 V137 | V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.88Å; Q22-A25 PolarHBondContact O-N 3.3Å; A25-V137 HydrophobicContact CB-CG1 3.89Å |
| 26 | A | 68.2 | Low | 74 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q22 M23 R24 A28 P143 I148 | Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.21Å; M23-A26 CarbonylContact O-C 3.48Å; M23-A26 PolarHBondContact O-N 2.93Å; R24-A26 PolarHBondContact O-N 3.16Å; R24-A26 VanDerWaalsContact O-N 3.14Å; A26-A28 HydrophobicContact CB-CB 4.16Å; A26-A28 PolarHBondContact O-N 3.16Å; A26-P143 VanDerWaalsContact CA-CD 3.49Å; A26-P143 HydrophobicContact CB-CB 4.44Å; A26-P143 HydrophobicContact CB-CG 3.21Å; A26-P143 VanDerWaalsContact O-CD 3.25Å; A26-P143 WeakPolarHBondContact O-CD 3.44Å; A26-P143 WeakPolarHBondContact O-CG 3.49Å; A26-I148 HydrophobicContact CB-CD1 3.84Å; A26-I148 HydrophobicContact CB-CG1 4.03Å |
| 27 | N | 73.4 | Confident | 74 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 29.7 | -168.7 | -162 | 41.3 | 0 | 0 | 0 | 113.2 | M23 R24 | M23-N27 PolarHBondContact O-N 3.38Å; M23-N27 VanDerWaalsContact O-N 3.13Å; R24-N27 PolarHBondContact O-N 3.31Å |
| 28 | A | 63.4 | Low | 73.9 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | trans | -78.5 | 153.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M23 A26 I30 I148 | M23-A28 HydrophobicContact CB-CB 4.11Å; M23-A28 HydrophobicContact CG-CB 4.34Å; M23-A28 WeakPolarHBondContact O-CB 3.39Å; M23-A28 PolarHBondContact O-N 3.31Å; A26-A28 HydrophobicContact CB-CB 4.16Å; A26-A28 PolarHBondContact O-N 3.16Å; A28-I30 PolarHBondContact O-N 3.29Å; A28-I30 VanDerWaalsContact O-N 3.09Å; A28-I148 HydrophobicContact CB-CD1 3.94Å; A28-I148 HydrophobicContact CB-CG2 3.93Å | ||
| 29 | R | 73.3 | Confident | 73.8 | Confident | 225 Ų | 225 | 52.5 Ų | 52.5 | 85% | 0.849 | 27% | 0.271 | S | S | * | . | trans | -62.7 | 115.7 | 169.7 | -174.7 | 178.3 | -178.8 | 179.3 | 1.3 | 109.4 | M23 | M23-R29 WeakPolarHBondContact CE-O 3.47Š| ||
| 30 | I | 72.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | trans | -82.1 | 124.8 | 177 | -48.3 | 179.6 | 0 | 0 | 0 | 108.4 | F20 M23 R24 A28 I34 I35 | F20-I30 HydrophobicContact CD2-CD1 3.91Å; F20-I30 HydrophobicContact CD2-CG2 3.99Å; F20-I30 HydrophobicContact CE2-CD1 3.59Å; F20-I30 HydrophobicContact CE2-CG2 4.39Å; F20-I30 HydrophobicContact CZ-CD1 4.35Å; M23-I30 HydrophobicContact CB-CG1 4.08Å; M23-I30 HydrophobicContact SD-CB 4.49Å; M23-I30 HydrophobicContact SD-CG2 4.17Å; R24-I30 VanDerWaalsContact CD-CD1 3.47Å; R24-I30 HydrophobicContact CG-CD1 3.71Å; A28-I30 PolarHBondContact O-N 3.29Å; A28-I30 VanDerWaalsContact O-N 3.09Å; I30-I34 HydrophobicContact CG2-CB 4.18Å; I30-I34 HydrophobicContact CG2-CG2 4.04Å; I30-I35 HydrophobicContact CB-CG1 4.42Å; I30-I35 HydrophobicContact CG2-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CG1 3.55Å | ||
| 31 | V | 76.4 | Confident | 74.4 | Confident | 68 Ų | 68 | 55 Ų | 55 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | trans | -82.8 | 147.2 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | S33 I34 I35 | V31-S33 WeakPolarHBondContact CG2-OG 3.5Å; V31-S33 PolarHBondContact O-N 3.21Å; V31-S33 VanDerWaalsContact O-N 3.13Å; V31-I34 HydrophobicContact CG2-CB 4.15Å; V31-I34 HydrophobicContact CG2-CG1 3.5Å; V31-I34 WeakPolarHBondContact O-CB 3.18Å; V31-I34 PolarHBondContact O-N 2.94Å; V31-I35 PolarHBondContact O-N 2.75Å | ||
| 32 | V | 76.3 | Confident | 74.4 | Confident | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.4 | -36.6 | -175 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | I34 I35 Q36 F58 | V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.26Å; V32-I35 PolarHBondContact O-N 3.19Å; V32-Q36 HydrophobicContact CG1-CG 4.18Å; V32-Q36 WeakPolarHBondContact O-CB 3.25Å; V32-Q36 WeakPolarHBondContact O-CG 3.19Å; V32-Q36 PolarHBondContact O-N 3.24Å; V32-F58 HydrophobicContact CG1-CB 4.43Å |
| 33 | S | 76.3 | Confident | 74.5 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 177.8 | 51 | 0 | 0 | 0 | 0 | 112.9 | V31 Q36 G37 | V31-S33 WeakPolarHBondContact CG2-OG 3.5Å; V31-S33 PolarHBondContact O-N 3.21Å; V31-S33 VanDerWaalsContact O-N 3.13Å; S33-Q36 PolarHBondContact O-N 2.99Å; S33-G37 PolarHBondContact O-N 3.22Å |
| 34 | I | 77.1 | Confident | 74.5 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 177.5 | -64 | -63.4 | 0 | 0 | 0 | 110.9 | C19 F20 M23 I30 V31 V32 G37 T38 | C19-I34 HydrophobicContact CB-CD1 3.76Å; C19-I34 HydrophobicContact CB-CG2 4.27Å; F20-I34 HydrophobicContact CB-CG2 3.74Å; F20-I34 HydrophobicContact CD2-CG2 4.44Å; M23-I34 HydrophobicContact SD-CB 4.4Å; M23-I34 HydrophobicContact SD-CG1 4.14Å; M23-I34 HydrophobicContact SD-CG2 4.12Å; I30-I34 HydrophobicContact CG2-CB 4.18Å; I30-I34 HydrophobicContact CG2-CG2 4.04Å; V31-I34 HydrophobicContact CG2-CB 4.15Å; V31-I34 HydrophobicContact CG2-CG1 3.5Å; V31-I34 WeakPolarHBondContact O-CB 3.18Å; V31-I34 PolarHBondContact O-N 2.94Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.26Å; I34-G37 PolarHBondContact O-N 3.39Å; I34-T38 WeakPolarHBondContact O-CB 3.07Å; I34-T38 PolarHBondContact O-N 3.31Å; I34-T38 PolarHBondContact O-OG1 3.34Å |
| 35 | I | 76.2 | Confident | 74.8 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 174.7 | -55 | 177.2 | 0 | 0 | 0 | 110.1 | I30 V31 V32 G37 T38 A39 F58 | I30-I35 HydrophobicContact CB-CG1 4.42Å; I30-I35 HydrophobicContact CG2-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CG1 3.55Å; V31-I35 PolarHBondContact O-N 2.75Å; V32-I35 PolarHBondContact O-N 3.19Å; I35-G37 VanDerWaalsContact C-N 3.27Å; I35-G37 PolarHBondContact O-N 2.8Å; I35-T38 PolarHBondContact O-N 3.28Å; I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 3.22Å; I35-F58 HydrophobicContact CB-CE1 4.4Å; I35-F58 HydrophobicContact CG2-CD1 3.7Å; I35-F58 HydrophobicContact CG2-CE1 3.31Å; I35-F58 HydrophobicContact CG2-CZ 4.14Å |
| 36 | Q | 78 | Confident | 75.2 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 176 | -75 | 176 | -8.7 | 0 | 0 | 111.4 | V32 S33 A39 R40 A53 F58 | V32-Q36 HydrophobicContact CG1-CG 4.18Å; V32-Q36 WeakPolarHBondContact O-CB 3.25Å; V32-Q36 WeakPolarHBondContact O-CG 3.19Å; V32-Q36 PolarHBondContact O-N 3.24Å; S33-Q36 PolarHBondContact O-N 2.99Å; Q36-A39 PolarHBondContact O-N 3.46Å; Q36-R40 WeakPolarHBondContact O-CG 3.25Å; Q36-R40 PolarHBondContact O-N 3.13Å; Q36-A53 HydrophobicContact CB-CB 4.08Å; Q36-A53 VanDerWaalsContact CD-O 3.29Å; Q36-A53 HydrophobicContact CG-CB 4.36Å; Q36-A53 WeakPolarHBondContact CG-O 3.35Å; Q36-A53 PolarHBondContact NE2-O 2.86Å; Q36-F58 HydrophobicContact CB-CE2 4.36Å; Q36-F58 HydrophobicContact CG-CD2 3.52Å; Q36-F58 HydrophobicContact CG-CE2 3.78Å; Q36-F58 HydrophobicContact CG-CG 4.17Å |
| 37 | G | 76.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E16 S33 I34 I35 A39 R40 W41 | E16-G37 WeakPolarHBondContact OE2-CA 3.41Å; S33-G37 PolarHBondContact O-N 3.22Å; I34-G37 PolarHBondContact O-N 3.39Å; I35-G37 VanDerWaalsContact C-N 3.27Å; I35-G37 PolarHBondContact O-N 2.8Å; G37-A39 VanDerWaalsContact C-N 3.28Å; G37-A39 PolarHBondContact O-N 2.99Å; G37-R40 WeakPolarHBondContact O-CB 3.47Å; G37-R40 PolarHBondContact O-N 3.03Å; G37-W41 PolarHBondContact O-N 3.49Å |
| 38 | T | 75.8 | Confident | 75.8 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 173.9 | -56 | 0 | 0 | 0 | 0 | 111.3 | E16 K17 F20 I34 I35 W41 F42 | E16-T38 PolarHBondContact O-OG1 2.96Å; K17-T38 HydrophobicContact CB-CG2 4.48Å; K17-T38 HydrophobicContact CG-CG2 4.35Å; F20-T38 HydrophobicContact CB-CG2 4.35Å; F20-T38 WeakPolarHBondContact CB-OG1 3.35Å; F20-T38 HydrophobicContact CD1-CG2 4.21Å; F20-T38 HydrophobicContact CG-CG2 4.14Å; I34-T38 WeakPolarHBondContact O-CB 3.07Å; I34-T38 PolarHBondContact O-N 3.31Å; I34-T38 PolarHBondContact O-OG1 3.34Å; I35-T38 PolarHBondContact O-N 3.28Å; T38-W41 WeakPolarHBondContact O-CB 3.43Å; T38-W41 PolarHBondContact O-N 2.95Å; T38-F42 HydrophobicContact CG2-CD2 4.01Å; T38-F42 HydrophobicContact CG2-CE2 3.75Å; T38-F42 VanDerWaalsContact O-CD2 3.22Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.33Å |
| 39 | A | 76.6 | Confident | 76.3 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | I35 Q36 G37 W41 F42 A43 F51 F58 | I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 3.22Å; Q36-A39 PolarHBondContact O-N 3.46Å; G37-A39 VanDerWaalsContact C-N 3.28Å; G37-A39 PolarHBondContact O-N 2.99Å; A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 PolarHBondContact O-N 3.09Å; A39-F42 PolarHBondContact O-N 2.85Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.98Å; A39-F51 HydrophobicContact CB-CE1 3.71Å; A39-F51 HydrophobicContact CB-CZ 3.97Å; A39-F58 HydrophobicContact CB-CE1 4.49Å; A39-F58 HydrophobicContact CB-CE2 4.14Å; A39-F58 HydrophobicContact CB-CZ 3.48Å; A39-F58 VanDerWaalsContact CB-CZ 3.48Å |
| 40 | R | 79.8 | Confident | 76.5 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 169.4 | -73.2 | -174.3 | -66.4 | -98.3 | 3.9 | 110.7 | P13 E16 Q36 G37 A43 V44 A53 | P13-R40 HydrophobicContact CB-CB 4.14Å; P13-R40 HydrophobicContact CG-CB 4.09Å; E16-R40 IonicContact OE1-NH2 2.83Å; E16-R40 PolarHBondContact OE1-NH2 3.13Å; E16-R40 IonicContact OE2-CZ 3.8Å; E16-R40 IonicContact OE2-NE 2.85Å; E16-R40 IonicContact OE2-NH2 3.67Å; E16-R40 PolarHBondContact OE2-NH2 2.97Å; Q36-R40 WeakPolarHBondContact O-CG 3.25Å; Q36-R40 PolarHBondContact O-N 3.13Å; G37-R40 WeakPolarHBondContact O-CB 3.47Å; G37-R40 PolarHBondContact O-N 3.03Å; R40-A43 WeakPolarHBondContact O-CB 3.27Å; R40-A43 PolarHBondContact O-N 3.42Å; R40-V44 WeakPolarHBondContact O-CG2 3.46Å; R40-V44 PolarHBondContact O-N 3.48Å; R40-A53 HydrophobicContact CG-CB 3.68Å |
| 41 | W | 80.3 | Confident | 76.7 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.9 | -178.1 | 83.5 | 0 | 0 | 0 | 111.6 | P13 K17 G37 T38 A39 A43 V44 K45 | P13-W41 HydrophobicContact CB-CB 3.63Å; P13-W41 HydrophobicContact CB-CG 4.4Å; P13-W41 WeakPolarHBondContact O-CB 3.2Å; K17-W41 HydrophobicContact CB-CB 4.23Å; K17-W41 HydrophobicContact CB-CD2 4.02Å; K17-W41 HydrophobicContact CB-CE3 4.39Å; K17-W41 HydrophobicContact CB-CG 3.94Å; K17-W41 HydrophobicContact CD-CD2 4.01Å; K17-W41 HydrophobicContact CD-CE3 4.1Å; K17-W41 HydrophobicContact CD-CH2 3.94Å; K17-W41 HydrophobicContact CD-CZ2 3.86Å; K17-W41 HydrophobicContact CD-CZ3 4.07Å; K17-W41 HydrophobicContact CG-CD2 3.85Å; K17-W41 HydrophobicContact CG-CE3 3.8Å; K17-W41 HydrophobicContact CG-CG 4.32Å; K17-W41 HydrophobicContact CG-CZ3 4.15Å; G37-W41 PolarHBondContact O-N 3.49Å; T38-W41 WeakPolarHBondContact O-CB 3.43Å; T38-W41 PolarHBondContact O-N 2.95Å; A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 PolarHBondContact O-N 3.09Å; W41-A43 VanDerWaalsContact C-N 3.34Å; W41-A43 PolarHBondContact O-N 3.26Å; W41-V44 PolarHBondContact O-N 3.46Å; W41-K45 HydrophobicContact CH2-CD 3.53Å; W41-K45 HydrophobicContact CZ2-CD 4.22Å; W41-K45 HydrophobicContact CZ3-CD 3.76Å; W41-K45 PolarHBondContact O-N 3.4Å |
| 42 | F | 75 | Confident | 76.4 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 18% | 0.18 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 173.6 | -79.9 | -62.4 | 0 | 0 | 0 | 112.3 | T38 A39 V44 K45 F46 F130 | T38-F42 HydrophobicContact CG2-CD2 4.01Å; T38-F42 HydrophobicContact CG2-CE2 3.75Å; T38-F42 VanDerWaalsContact O-CD2 3.22Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.33Å; A39-F42 PolarHBondContact O-N 2.85Å; F42-V44 VanDerWaalsContact C-N 3.27Å; F42-V44 PolarHBondContact O-N 2.87Å; F42-K45 PolarHBondContact O-N 3.4Å; F42-F46 HydrophobicContact CB-CD2 4.31Å; F42-F46 HydrophobicContact CB-CE2 4.48Å; F42-F46 HydrophobicContact CD1-CD2 4.18Å; F42-F46 AromaticContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CE1-CE2 4.21Å; F42-F46 HydrophobicContact CG-CE2 4.45Å; F42-F46 WeakPolarHBondContact O-CD2 3.49Å; F42-F46 PolarHBondContact O-N 2.78Å; F42-F130 HydrophobicContact CE2-CD2 4.47Å; F42-F130 HydrophobicContact CE2-CE2 4.47Å; F42-F130 AromaticContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CE2 4.28Å |
| 43 | A | 77.6 | Confident | 76.1 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A39 R40 W41 R47 K48 F51 | A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.98Å; R40-A43 WeakPolarHBondContact O-CB 3.27Å; R40-A43 PolarHBondContact O-N 3.42Å; W41-A43 VanDerWaalsContact C-N 3.34Å; W41-A43 PolarHBondContact O-N 3.26Å; A43-R47 CarbonylContact O-C 3.48Å; A43-R47 PolarHBondContact O-N 3.26Å; A43-R47 VanDerWaalsContact O-N 3.1Å; A43-K48 HydrophobicContact CB-CB 4.14Å; A43-K48 PolarHBondContact O-N 3.21Å; A43-F51 HydrophobicContact CB-CB 3.63Å; A43-F51 HydrophobicContact CB-CD1 3.56Å; A43-F51 HydrophobicContact CB-CE1 4.46Å; A43-F51 HydrophobicContact CB-CG 3.79Å |
| 44 | V | 74.6 | Confident | 76 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.8 | -49.5 | 172.3 | 174.7 | 0 | 0 | 0 | 0 | 111 | R40 W41 F42 F46 R47 | R40-V44 WeakPolarHBondContact O-CG2 3.46Å; R40-V44 PolarHBondContact O-N 3.48Å; W41-V44 PolarHBondContact O-N 3.46Å; F42-V44 VanDerWaalsContact C-N 3.27Å; F42-V44 PolarHBondContact O-N 2.87Å; V44-F46 VanDerWaalsContact C-N 3.28Å; V44-F46 PolarHBondContact O-N 3.32Å; V44-R47 PolarHBondContact O-N 2.81Å; V44-R47 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 76.1 | Confident | 75.4 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.1 | -42.7 | 179.7 | -176 | 176.8 | 174.4 | -167.2 | 0 | 111.6 | W41 F42 D129 | W41-K45 HydrophobicContact CH2-CD 3.53Å; W41-K45 HydrophobicContact CZ2-CD 4.22Å; W41-K45 HydrophobicContact CZ3-CD 3.76Å; W41-K45 PolarHBondContact O-N 3.4Å; F42-K45 PolarHBondContact O-N 3.4Å; K45-D129 IonicContact NZ-OD2 3.71Å; K45-D129 PolarHBondContact NZ-OD2 2.81Å |
| 46 | F | 75.3 | Confident | 74.9 | Confident | 60 Ų | 60 | 71 Ų | 71 | 26% | 0.263 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 12.7 | -178 | -63.1 | -62.2 | 0 | 0 | 0 | 114.7 | F42 V44 K48 D126 | F42-F46 HydrophobicContact CB-CD2 4.31Å; F42-F46 HydrophobicContact CB-CE2 4.48Å; F42-F46 HydrophobicContact CD1-CD2 4.18Å; F42-F46 AromaticContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CE1-CE2 4.21Å; F42-F46 HydrophobicContact CG-CE2 4.45Å; F42-F46 WeakPolarHBondContact O-CD2 3.49Å; F42-F46 PolarHBondContact O-N 2.78Å; V44-F46 VanDerWaalsContact C-N 3.28Å; V44-F46 PolarHBondContact O-N 3.32Å; F46-K48 HydrophobicContact CB-CG 4.18Å; F46-K48 PolarHBondContact O-N 2.85Å; F46-K48 VanDerWaalsContact O-N 3.11Å; F46-D126 HydrophobicContact CE1-CB 3.86Å; F46-D126 VanDerWaalsContact CE1-CG 3.47Å; F46-D126 WeakPolarHBondContact CE2-OD1 3.24Å; F46-D126 WeakPolarHBondContact CE2-OD2 3.33Å; F46-D126 HydrophobicContact CZ-CB 3.86Å; F46-D126 WeakPolarHBondContact CZ-OD1 3.43Å; F46-D126 VanDerWaalsContact CZ-OD2 3.24Å; F46-D126 WeakPolarHBondContact CZ-OD2 3.36Å |
| 47 | R | 79.9 | Confident | 74.1 | Confident | 223 Ų | 223 | 74 Ų | 74 | 84% | 0.842 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.8 | 178.2 | -52.5 | -178.1 | -177.4 | -171.2 | 1.1 | 113.3 | A43 V44 T49 | A43-R47 CarbonylContact O-C 3.48Å; A43-R47 PolarHBondContact O-N 3.26Å; A43-R47 VanDerWaalsContact O-N 3.1Å; V44-R47 PolarHBondContact O-N 2.81Å; V44-R47 VanDerWaalsContact O-N 3.12Å; R47-T49 PolarHBondContact O-N 3.26Å; R47-T49 VanDerWaalsContact O-N 3.14Å |
| 48 | K | 74.9 | Confident | 73.5 | Confident | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | trans | -80 | 90.9 | 174.3 | -63.7 | -65.5 | -178.1 | 179.3 | 0 | 109.3 | A43 F46 | A43-K48 HydrophobicContact CB-CB 4.14Å; A43-K48 PolarHBondContact O-N 3.21Å; F46-K48 HydrophobicContact CB-CG 4.18Å; F46-K48 PolarHBondContact O-N 2.85Å; F46-K48 VanDerWaalsContact O-N 3.11Å | ||
| 49 | T | 73.9 | Confident | 72.6 | Confident | 139 Ų | 139 | 79.8 Ų | 79.8 | 85% | 0.853 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 144.6 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | R47 F51 | R47-T49 PolarHBondContact O-N 3.26Å; R47-T49 VanDerWaalsContact O-N 3.14Å; T49-F51 VanDerWaalsContact C-N 3.29Å; T49-F51 PolarHBondContact O-N 3.08Å |
| 50 | G | 77.7 | Confident | 71.9 | Confident | 73 Ų | 73 | 84.8 Ų | 84.8 | 75% | 0.753 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L52 | G50-L52 PolarHBondContact O-N 3.34Å; G50-L52 VanDerWaalsContact O-N 3.1Å |
| 51 | F | 76.3 | Confident | 70.9 | Confident | 80 Ų | 80 | 87.6 Ų | 87.6 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | trans | -67.4 | 108.9 | 171.7 | -177.6 | -104.6 | 0 | 0 | 0 | 110.3 | A39 A43 T49 A53 | A39-F51 HydrophobicContact CB-CE1 3.71Å; A39-F51 HydrophobicContact CB-CZ 3.97Å; A43-F51 HydrophobicContact CB-CB 3.63Å; A43-F51 HydrophobicContact CB-CD1 3.56Å; A43-F51 HydrophobicContact CB-CE1 4.46Å; A43-F51 HydrophobicContact CB-CG 3.79Å; T49-F51 VanDerWaalsContact C-N 3.29Å; T49-F51 PolarHBondContact O-N 3.08Å; F51-A53 HydrophobicContact CD1-CB 4.25Å; F51-A53 HydrophobicContact CE1-CB 3.66Å; F51-A53 HydrophobicContact CZ-CB 4.36Å | ||
| 52 | L | 70.2 | Confident | 70 | Confident | 134 Ų | 134 | 90.4 Ų | 90.4 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | trans | -99.1 | 98.8 | 174.5 | -63.9 | 174.7 | 0 | 0 | 0 | 107.4 | G50 S54 Q57 | G50-L52 PolarHBondContact O-N 3.34Å; G50-L52 VanDerWaalsContact O-N 3.1Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-Q57 PolarHBondContact O-OE1 2.83Å; L52-Q57 VanDerWaalsContact O-OE1 3.06Å | ||
| 53 | A | 70.8 | Confident | 69.2 | Low | 11 Ų | 11 | 91.4 Ų | 91.4 | 9% | 0.091 | 47% | 0.465 | C | S | . | . | trans | -66.6 | 59.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q36 R40 F51 F58 | Q36-A53 HydrophobicContact CB-CB 4.08Å; Q36-A53 VanDerWaalsContact CD-O 3.29Å; Q36-A53 HydrophobicContact CG-CB 4.36Å; Q36-A53 WeakPolarHBondContact CG-O 3.35Å; Q36-A53 PolarHBondContact NE2-O 2.86Å; R40-A53 HydrophobicContact CG-CB 3.68Å; F51-A53 HydrophobicContact CD1-CB 4.25Å; F51-A53 HydrophobicContact CE1-CB 3.66Å; F51-A53 HydrophobicContact CZ-CB 4.36Å; A53-F58 HydrophobicContact CB-CE2 3.96Å | ||
| 54 | S | 74.3 | Confident | 68.2 | Low | 46 Ų | 46 | 95 Ų | 95 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | trans | -77.2 | 151.7 | -175.1 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | L52 N56 Q57 F58 | L52-S54 PolarHBondContact O-N 3.1Å; S54-N56 PolarHBondContact O-N 3.14Å; S54-Q57 PolarHBondContact O-N 3.46Å; S54-Q57 VanDerWaalsContact O-N 3.08Å; S54-Q57 PolarHBondContact OG-N 3.33Å; S54-F58 PolarHBondContact O-N 2.85Å | ||
| 55 | S | 63.5 | Low | 67.3 | Low | 56 Ų | 56 | 94.2 Ų | 94.2 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -49.9 | -46.6 | 173 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | Q57 F58 E59 | S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.26Å; S55-F58 CarbonylContact O-C 3.58Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 PolarHBondContact O-N 3.36Å; S55-E59 WeakPolarHBondContact O-CG 3.18Å; S55-E59 PolarHBondContact O-N 3.37Å |
| 56 | N | 66.7 | Low | 66.5 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -31.2 | -178.3 | -58.5 | 5.8 | 0 | 0 | 0 | 113.2 | S54 K60 | S54-N56 PolarHBondContact O-N 3.14Å; N56-K60 WeakPolarHBondContact O-CG 3.38Å; N56-K60 PolarHBondContact O-N 2.9Å |
| 57 | Q | 61.1 | Low | 65.6 | Low | 97 Ų | 97 | 93.1 Ų | 93.1 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.2 | -36.8 | 174 | -79.2 | -168.8 | -4 | 0 | 0 | 111.8 | L52 S54 S55 K60 Y61 | L52-Q57 PolarHBondContact O-OE1 2.83Å; L52-Q57 VanDerWaalsContact O-OE1 3.06Å; S54-Q57 PolarHBondContact O-N 3.46Å; S54-Q57 VanDerWaalsContact O-N 3.08Å; S54-Q57 PolarHBondContact OG-N 3.33Å; S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.26Å; Q57-K60 PolarHBondContact O-N 2.99Å; Q57-Y61 PolarHBondContact O-N 2.9Å |
| 58 | F | 63.5 | Low | 64.4 | Low | 21 Ų | 21 | 84.4 Ų | 84.4 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -76.1 | -35.1 | 178.4 | -84.7 | -79.1 | 0 | 0 | 0 | 113.3 | V32 I35 Q36 A39 A53 S54 S55 K60 Y61 E62 | V32-F58 HydrophobicContact CG1-CB 4.43Å; I35-F58 HydrophobicContact CB-CE1 4.4Å; I35-F58 HydrophobicContact CG2-CD1 3.7Å; I35-F58 HydrophobicContact CG2-CE1 3.31Å; I35-F58 HydrophobicContact CG2-CZ 4.14Å; Q36-F58 HydrophobicContact CB-CE2 4.36Å; Q36-F58 HydrophobicContact CG-CD2 3.52Å; Q36-F58 HydrophobicContact CG-CE2 3.78Å; Q36-F58 HydrophobicContact CG-CG 4.17Å; A39-F58 HydrophobicContact CB-CE1 4.49Å; A39-F58 HydrophobicContact CB-CE2 4.14Å; A39-F58 HydrophobicContact CB-CZ 3.48Å; A39-F58 VanDerWaalsContact CB-CZ 3.48Å; A53-F58 HydrophobicContact CB-CE2 3.96Å; S54-F58 PolarHBondContact O-N 2.85Å; S55-F58 CarbonylContact O-C 3.58Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 PolarHBondContact O-N 3.36Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.38Å; F58-Y61 CarbonylContact O-C 3.55Å; F58-Y61 WeakPolarHBondContact O-CA 3.25Å; F58-Y61 VanDerWaalsContact O-CB 3.32Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 2.89Å; F58-E62 WeakPolarHBondContact O-CG 3.39Å; F58-E62 PolarHBondContact O-N 3.36Å |
| 59 | E | 57.5 | Low | 63.2 | Low | 107 Ų | 107 | 80.6 Ų | 80.6 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 169.2 | -73.8 | 167.3 | -162.3 | 0 | 0 | 110.5 | S55 Y61 E62 L63 | S55-E59 WeakPolarHBondContact O-CG 3.18Å; S55-E59 PolarHBondContact O-N 3.37Å; E59-Y61 VanDerWaalsContact C-N 3.25Å; E59-Y61 PolarHBondContact O-N 2.87Å; E59-E62 PolarHBondContact O-N 2.75Å; E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.32Å; E59-L63 PolarHBondContact O-N 3.48Å |
| 60 | K | 61.7 | Low | 62.4 | Low | 124 Ų | 124 | 75.3 Ų | 75.3 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -32.3 | 172 | -70.5 | 179.3 | -176 | -171.4 | 0 | 112.7 | N56 Q57 F58 R64 | N56-K60 WeakPolarHBondContact O-CG 3.38Å; N56-K60 PolarHBondContact O-N 2.9Å; Q57-K60 PolarHBondContact O-N 2.99Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.38Å; K60-R64 WeakPolarHBondContact O-CG 3.34Å |
| 61 | Y | 58.5 | Low | 61.4 | Low | 133 Ų | 133 | 75.1 Ų | 75.1 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.9 | -42.2 | 175.6 | -171.4 | -89.9 | 0 | 0 | 0 | 112.2 | Q57 F58 E59 L63 R64 | Q57-Y61 PolarHBondContact O-N 2.9Å; F58-Y61 CarbonylContact O-C 3.55Å; F58-Y61 WeakPolarHBondContact O-CA 3.25Å; F58-Y61 VanDerWaalsContact O-CB 3.32Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 2.89Å; E59-Y61 VanDerWaalsContact C-N 3.25Å; E59-Y61 PolarHBondContact O-N 2.87Å; Y61-L63 PolarHBondContact O-N 2.98Å; Y61-R64 VanDerWaalsContact CD2-CD 3.44Å; Y61-R64 HydrophobicContact CD2-CG 4.49Å; Y61-R64 WeakPolarHBondContact O-CB 3.23Å; Y61-R64 WeakPolarHBondContact O-CG 3.32Å; Y61-R64 PolarHBondContact O-N 3.4Å |
| 62 | E | 60.4 | Low | 60 | Low | 106 Ų | 106 | 76.5 Ų | 76.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.6 | -29.3 | 175.4 | -74.6 | -174.3 | 173.6 | 0 | 0 | 112.1 | F58 E59 R64 P65 | F58-E62 WeakPolarHBondContact O-CG 3.39Å; F58-E62 PolarHBondContact O-N 3.36Å; E59-E62 PolarHBondContact O-N 2.75Å; E62-R64 PolarHBondContact O-N 3.12Å; E62-P65 VanDerWaalsContact O-CD 3.23Å; E62-P65 WeakPolarHBondContact O-CD 3.39Å |
| 63 | L | 58.3 | Low | 59.3 | Low | 63 Ų | 63 | 72.9 Ų | 72.9 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.1 | -14.3 | 171.2 | -68.2 | 173.1 | 0 | 0 | 0 | 112.7 | E59 Y61 K66 I67 I83 | E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.32Å; E59-L63 PolarHBondContact O-N 3.48Å; Y61-L63 PolarHBondContact O-N 2.98Å; L63-K66 HydrophobicContact CD2-CD 4.32Å; L63-K66 CarbonylContact O-C 3.45Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 3.41Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-I67 HydrophobicContact CB-CD1 3.68Å; L63-I67 HydrophobicContact CB-CG1 4.22Å; L63-I67 WeakPolarHBondContact O-CB 3.44Å; L63-I67 VanDerWaalsContact O-CD1 3.32Å; L63-I67 WeakPolarHBondContact O-CD1 3.42Å; L63-I67 WeakPolarHBondContact O-CG1 3.31Å; L63-I67 PolarHBondContact O-N 2.97Å; L63-I83 HydrophobicContact CD1-CD1 3.83Å |
| 64 | R | 56.3 | Low | 58.3 | Low | 88 Ų | 88 | 75.4 Ų | 75.4 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | -175.4 | -64.1 | -178.6 | 164.4 | -138.2 | 1.4 | 114.1 | K60 Y61 E62 K66 S68 W87 | K60-R64 WeakPolarHBondContact O-CG 3.34Å; Y61-R64 VanDerWaalsContact CD2-CD 3.44Å; Y61-R64 HydrophobicContact CD2-CG 4.49Å; Y61-R64 WeakPolarHBondContact O-CB 3.23Å; Y61-R64 WeakPolarHBondContact O-CG 3.32Å; Y61-R64 PolarHBondContact O-N 3.4Å; E62-R64 PolarHBondContact O-N 3.12Å; R64-K66 VanDerWaalsContact C-N 3.31Å; R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 2.77Å; R64-S68 PolarHBondContact O-N 3.39Å; R64-S68 PolarHBondContact O-OG 2.93Å; R64-W87 HydrophobicContact CB-CH2 3.7Å; R64-W87 HydrophobicContact CB-CZ2 4.24Å; R64-W87 HydrophobicContact CB-CZ3 4.4Å; R64-W87 VanDerWaalsContact CD-CH2 3.48Å; R64-W87 HydrophobicContact CG-CH2 3.24Å; R64-W87 HydrophobicContact CG-CZ2 4.23Å; R64-W87 HydrophobicContact CG-CZ3 3.56Å |
| 65 | P | 56.7 | Low | 57.3 | Low | 89 Ų | 89 | 76.7 Ų | 76.7 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 175.3 | -21.3 | 35.2 | 0 | 0 | 0 | 111 | E62 S68 Q69 | E62-P65 VanDerWaalsContact O-CD 3.23Å; E62-P65 WeakPolarHBondContact O-CD 3.39Å; P65-S68 PolarHBondContact O-N 2.74Å; P65-Q69 VanDerWaalsContact O-CB 3.25Å; P65-Q69 WeakPolarHBondContact O-CB 3.33Å; P65-Q69 PolarHBondContact O-N 3.03Å |
| 66 | K | 58.9 | Low | 56.9 | Low | 114 Ų | 114 | 77.2 Ų | 77.2 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178.9 | -171 | 177.2 | 179.7 | -179.8 | 0 | 112.6 | L63 R64 Q69 E70 | L63-K66 HydrophobicContact CD2-CD 4.32Å; L63-K66 CarbonylContact O-C 3.45Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 3.41Å; L63-K66 VanDerWaalsContact O-N 3.12Å; R64-K66 VanDerWaalsContact C-N 3.31Å; K66-Q69 PolarHBondContact O-N 3.4Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CB 3.47Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 3.08Å |
| 67 | I | 56.8 | Low | 56.5 | Low | 7 Ų | 7 | 77.8 Ų | 77.8 | 4% | 0.036 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 174.3 | -68.5 | 157 | 0 | 0 | 0 | 110.1 | L63 Q69 E70 I71 I79 I83 W87 | L63-I67 HydrophobicContact CB-CD1 3.68Å; L63-I67 HydrophobicContact CB-CG1 4.22Å; L63-I67 WeakPolarHBondContact O-CB 3.44Å; L63-I67 VanDerWaalsContact O-CD1 3.32Å; L63-I67 WeakPolarHBondContact O-CD1 3.42Å; L63-I67 WeakPolarHBondContact O-CG1 3.31Å; L63-I67 PolarHBondContact O-N 2.97Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.49Å; I67-E70 PolarHBondContact O-N 3.2Å; I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.72Å; I67-I79 HydrophobicContact CG1-CG2 4.37Å; I67-I79 HydrophobicContact CG2-CD1 4.18Å; I67-I83 HydrophobicContact CD1-CG2 3.16Å; I67-I83 HydrophobicContact CG1-CG2 3.81Å; I67-W87 HydrophobicContact CG2-CD2 3.95Å; I67-W87 HydrophobicContact CG2-CG 3.89Å |
| 68 | S | 53.9 | Low | 56.4 | Low | 40 Ų | 40 | 78.6 Ų | 78.6 | 28% | 0.28 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | R64 P65 L72 | R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 2.77Å; R64-S68 PolarHBondContact O-N 3.39Å; R64-S68 PolarHBondContact O-OG 2.93Å; P65-S68 PolarHBondContact O-N 2.74Å; S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 VanDerWaalsContact O-CD1 3.29Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.44Å; S68-L72 PolarHBondContact O-N 3.3Å |
| 69 | Q | 50.4 | Low | 56.1 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 175.3 | -175.2 | -178 | -3.5 | 0 | 0 | 111.9 | P65 K66 I67 I71 L72 C73 | P65-Q69 VanDerWaalsContact O-CB 3.25Å; P65-Q69 WeakPolarHBondContact O-CB 3.33Å; P65-Q69 PolarHBondContact O-N 3.03Å; K66-Q69 PolarHBondContact O-N 3.4Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.49Å; Q69-I71 VanDerWaalsContact C-N 3.34Å; Q69-I71 PolarHBondContact O-N 2.87Å; Q69-L72 PolarHBondContact O-N 3.42Å; Q69-C73 VanDerWaalsContact O-CB 3.27Å; Q69-C73 WeakPolarHBondContact O-CB 3.45Å; Q69-C73 PolarHBondContact O-N 3.46Å; Q69-C73 PolarHBondContact O-SG 3.31Å |
| 70 | E | 57.5 | Low | 56.2 | Low | 27 Ų | 27 | 76.9 Ų | 76.9 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | -179.3 | -75.4 | -179.7 | -169.6 | 0 | 0 | 111.9 | K66 I67 G74 E75 S76 I79 | K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CB 3.47Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 3.08Å; I67-E70 PolarHBondContact O-N 3.2Å; E70-G74 PolarHBondContact O-N 2.9Å; E70-E75 HydrophobicContact CB-CB 4.43Å; E70-E75 CarbonylContact O-C 3.58Å; E70-E75 WeakPolarHBondContact O-CA 3.36Å; E70-E75 PolarHBondContact O-N 2.91Å; E70-S76 PolarHBondContact O-N 3.38Å; E70-I79 HydrophobicContact CB-CD1 3.87Å; E70-I79 HydrophobicContact CB-CG1 4.07Å; E70-I79 WeakPolarHBondContact OE2-CG1 3.37Å |
| 71 | I | 55.7 | Low | 56.2 | Low | 70 Ų | 70 | 76.3 Ų | 76.3 | 36% | 0.359 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 173.4 | -68.8 | 172 | 0 | 0 | 0 | 110.8 | I67 Q69 G74 I79 W87 | I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.72Å; Q69-I71 VanDerWaalsContact C-N 3.34Å; Q69-I71 PolarHBondContact O-N 2.87Å; I71-G74 PolarHBondContact O-N 3.38Å; I71-I79 HydrophobicContact CD1-CD1 4.23Å; I71-I79 HydrophobicContact CG1-CD1 3.64Å; I71-W87 HydrophobicContact CD1-CG 4.37Å |
| 72 | L | 48.3 | Very low | 56.2 | Low | 108 Ų | 108 | 78 Ų | 78 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.3 | -35 | -178.8 | -73.9 | 167 | 0 | 0 | 0 | 112.7 | S68 Q69 G74 | S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 VanDerWaalsContact O-CD1 3.29Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.44Å; S68-L72 PolarHBondContact O-N 3.3Å; Q69-L72 PolarHBondContact O-N 3.42Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.4Å |
| 73 | C | 55.4 | Low | 55.9 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.3 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | Q69 E75 | Q69-C73 VanDerWaalsContact O-CB 3.27Å; Q69-C73 WeakPolarHBondContact O-CB 3.45Å; Q69-C73 PolarHBondContact O-N 3.46Å; Q69-C73 PolarHBondContact O-SG 3.31Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 HydrophobicContact CB-CG 4.26Å; C73-E75 PolarHBondContact O-N 3.43Å |
| 74 | G | 48 | Very low | 55.6 | Low | 63 Ų | 63 | 72.8 Ų | 72.8 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 15.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E70 I71 L72 S76 | E70-G74 PolarHBondContact O-N 2.9Å; I71-G74 PolarHBondContact O-N 3.38Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.4Å; G74-S76 VanDerWaalsContact C-N 3.33Å |
| 75 | E | 55.2 | Low | 55.4 | Low | 73 Ų | 73 | 71.6 Ų | 71.6 | 34% | 0.341 | 42% | 0.416 | S | S | . | . | trans | -95.8 | 27.9 | 179.7 | -57.6 | -163 | 164.2 | 0 | 0 | 112.9 | E70 C73 S77 K78 | E70-E75 HydrophobicContact CB-CB 4.43Å; E70-E75 CarbonylContact O-C 3.58Å; E70-E75 WeakPolarHBondContact O-CA 3.36Å; E70-E75 PolarHBondContact O-N 2.91Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 HydrophobicContact CB-CG 4.26Å; C73-E75 PolarHBondContact O-N 3.43Å; E75-S77 PolarHBondContact O-N 2.89Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.16Å; E75-K78 IonicContact OE1-NZ 3.95Å; E75-K78 IonicContact OE2-NZ 2.71Å; E75-K78 PolarHBondContact OE2-NZ 2.94Å | ||
| 76 | S | 54.6 | Low | 55.1 | Low | 67 Ų | 67 | 69.6 Ų | 69.6 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -60.9 | -13.6 | -174 | 62.5 | 0 | 0 | 0 | 0 | 115 | E70 G74 K78 I79 | E70-S76 PolarHBondContact O-N 3.38Å; G74-S76 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 3.14Å; S76-I79 PolarHBondContact O-N 2.73Å |
| 77 | S | 56.7 | Low | 54.3 | Low | 114 Ų | 114 | 65.7 Ų | 65.7 | 80% | 0.797 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -68.5 | -13.4 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | E75 | E75-S77 PolarHBondContact O-N 2.89Š|
| 78 | K | 61 | Low | 53.7 | Low | 113 Ų | 113 | 70.5 Ų | 70.5 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -89.9 | -7.3 | 176.9 | -63.5 | 176.9 | -173.5 | 166.7 | 0 | 113.6 | E75 S76 | E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.16Å; E75-K78 IonicContact OE1-NZ 3.95Å; E75-K78 IonicContact OE2-NZ 2.71Å; E75-K78 PolarHBondContact OE2-NZ 2.94Å; S76-K78 PolarHBondContact O-N 3.14Å |
| 79 | I | 55.9 | Low | 53.4 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.072 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -91.1 | 127.5 | -177.2 | -54.3 | 172.1 | 0 | 0 | 0 | 109.5 | I67 E70 I71 S76 V81 I83 | I67-I79 HydrophobicContact CG1-CG2 4.37Å; I67-I79 HydrophobicContact CG2-CD1 4.18Å; E70-I79 HydrophobicContact CB-CD1 3.87Å; E70-I79 HydrophobicContact CB-CG1 4.07Å; E70-I79 WeakPolarHBondContact OE2-CG1 3.37Å; I71-I79 HydrophobicContact CD1-CD1 4.23Å; I71-I79 HydrophobicContact CG1-CD1 3.64Å; S76-I79 PolarHBondContact O-N 2.73Å; I79-V81 PolarHBondContact O-N 2.83Å; I79-I83 HydrophobicContact CG2-CB 4Å; I79-I83 HydrophobicContact CG2-CG2 3.95Å |
| 80 | P | 59.2 | Low | 53.2 | Low | 78 Ų | 78 | 76.1 Ų | 76.1 | 51% | 0.506 | 44% | 0.443 | S | S | . | . | trans | -52.5 | 130.5 | 170.6 | -26.2 | 33.9 | 0 | 0 | 0 | 111.5 | E82 I83 S84 | P80-E82 PolarHBondContact O-N 2.8Å; P80-E82 VanDerWaalsContact O-N 3.1Å; P80-I83 HydrophobicContact CB-CD1 4.06Å; P80-I83 HydrophobicContact CB-CG1 4.14Å; P80-I83 HydrophobicContact CG-CD1 3.9Å; P80-I83 WeakPolarHBondContact O-CA 3.07Å; P80-I83 WeakPolarHBondContact O-CB 3.21Å; P80-I83 PolarHBondContact O-N 3.41Å; P80-S84 PolarHBondContact O-N 3.48Å; P80-S84 VanDerWaalsContact O-N 3.14Å | ||
| 81 | V | 61.7 | Low | 52.7 | Low | 113 Ų | 113 | 78.2 Ų | 78.2 | 69% | 0.685 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54 | -36.8 | -173.3 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | I79 I83 S84 S85 | I79-V81 PolarHBondContact O-N 2.83Å; V81-I83 VanDerWaalsContact C-N 3.28Å; V81-I83 PolarHBondContact O-N 2.85Å; V81-S84 PolarHBondContact O-N 2.89Å; V81-S85 WeakPolarHBondContact O-CB 3.21Å; V81-S85 PolarHBondContact O-N 3.36Å; V81-S85 PolarHBondContact O-OG 3.36Å |
| 82 | E | 60.2 | Low | 52.2 | Low | 168 Ų | 168 | 78 Ų | 78 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.3 | -38.5 | 177.4 | -63.5 | 178 | -179.8 | 0 | 0 | 112.7 | P80 S86 | P80-E82 PolarHBondContact O-N 2.8Å; P80-E82 VanDerWaalsContact O-N 3.1Å; E82-S86 WeakPolarHBondContact O-CB 3.33Å; E82-S86 PolarHBondContact O-N 2.89Å; E82-S86 VanDerWaalsContact O-N 3.08Å; E82-S86 PolarHBondContact O-OG 3.44Å |
| 83 | I | 53 | Low | 52.1 | Low | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.138 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.6 | -45.3 | 178.2 | -61 | -178 | 0 | 0 | 0 | 109.3 | L63 I67 I79 P80 V81 S85 S86 W87 | L63-I83 HydrophobicContact CD1-CD1 3.83Å; I67-I83 HydrophobicContact CD1-CG2 3.16Å; I67-I83 HydrophobicContact CG1-CG2 3.81Å; I79-I83 HydrophobicContact CG2-CB 4Å; I79-I83 HydrophobicContact CG2-CG2 3.95Å; P80-I83 HydrophobicContact CB-CD1 4.06Å; P80-I83 HydrophobicContact CB-CG1 4.14Å; P80-I83 HydrophobicContact CG-CD1 3.9Å; P80-I83 WeakPolarHBondContact O-CA 3.07Å; P80-I83 WeakPolarHBondContact O-CB 3.21Å; P80-I83 PolarHBondContact O-N 3.41Å; V81-I83 VanDerWaalsContact C-N 3.28Å; V81-I83 PolarHBondContact O-N 2.85Å; I83-S85 PolarHBondContact O-N 3.12Å; I83-S86 PolarHBondContact O-N 3.42Å; I83-S86 PolarHBondContact O-OG 2.9Å; I83-W87 PolarHBondContact O-N 3.04Å |
| 84 | S | 51.7 | Low | 51.8 | Low | 32 Ų | 32 | 77 Ų | 77 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | P80 V81 S86 W87 N88 | P80-S84 PolarHBondContact O-N 3.48Å; P80-S84 VanDerWaalsContact O-N 3.14Å; V81-S84 PolarHBondContact O-N 2.89Å; S84-S86 PolarHBondContact O-N 2.83Å; S84-W87 WeakPolarHBondContact O-CA 3.29Å; S84-W87 WeakPolarHBondContact O-CB 3.49Å; S84-W87 PolarHBondContact O-N 3.1Å; S84-W87 VanDerWaalsContact O-N 3.08Å; S84-N88 PolarHBondContact O-N 3.2Å |
| 85 | S | 53.2 | Low | 51.7 | Low | 63 Ų | 63 | 77.1 Ų | 77.1 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.9 | -77.2 | 0 | 0 | 0 | 0 | 112.4 | V81 I83 W87 N88 N89 | V81-S85 WeakPolarHBondContact O-CB 3.21Å; V81-S85 PolarHBondContact O-N 3.36Å; V81-S85 PolarHBondContact O-OG 3.36Å; I83-S85 PolarHBondContact O-N 3.12Å; S85-W87 PolarHBondContact O-N 3.15Å; S85-N88 PolarHBondContact O-N 3.33Å; S85-N89 PolarHBondContact O-N 3.44Å |
| 86 | S | 49.1 | Very low | 51.3 | Low | 47 Ų | 47 | 79.8 Ų | 79.8 | 33% | 0.329 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -30.6 | 173.9 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | E82 I83 S84 V90 | E82-S86 WeakPolarHBondContact O-CB 3.33Å; E82-S86 PolarHBondContact O-N 2.89Å; E82-S86 VanDerWaalsContact O-N 3.08Å; E82-S86 PolarHBondContact O-OG 3.44Å; I83-S86 PolarHBondContact O-N 3.42Å; I83-S86 PolarHBondContact O-OG 2.9Å; S84-S86 PolarHBondContact O-N 2.83Å; S86-V90 WeakPolarHBondContact O-CG2 3.33Å; S86-V90 PolarHBondContact O-N 3.28Å |
| 87 | W | 42.7 | Very low | 51.2 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 13% | 0.125 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.9 | -41.8 | 176.9 | -145.3 | -114.6 | 0 | 0 | 0 | 113.3 | R64 I67 I71 I83 S84 S85 N89 V90 Q91 | R64-W87 HydrophobicContact CB-CH2 3.7Å; R64-W87 HydrophobicContact CB-CZ2 4.24Å; R64-W87 HydrophobicContact CB-CZ3 4.4Å; R64-W87 VanDerWaalsContact CD-CH2 3.48Å; R64-W87 HydrophobicContact CG-CH2 3.24Å; R64-W87 HydrophobicContact CG-CZ2 4.23Å; R64-W87 HydrophobicContact CG-CZ3 3.56Å; I67-W87 HydrophobicContact CG2-CD2 3.95Å; I67-W87 HydrophobicContact CG2-CG 3.89Å; I71-W87 HydrophobicContact CD1-CG 4.37Å; I83-W87 PolarHBondContact O-N 3.04Å; S84-W87 WeakPolarHBondContact O-CA 3.29Å; S84-W87 WeakPolarHBondContact O-CB 3.49Å; S84-W87 PolarHBondContact O-N 3.1Å; S84-W87 VanDerWaalsContact O-N 3.08Å; S85-W87 PolarHBondContact O-N 3.15Å; W87-N89 PolarHBondContact O-N 3.07Å; W87-V90 PolarHBondContact O-N 3.04Å; W87-Q91 PolarHBondContact O-N 3.29Å |
| 88 | N | 44.6 | Very low | 50.6 | Low | 108 Ų | 108 | 81.5 Ų | 81.5 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.8 | -32.2 | 175.2 | -79.7 | -30.8 | 0 | 0 | 0 | 112.3 | S84 S85 | S84-N88 PolarHBondContact O-N 3.2Å; S85-N88 PolarHBondContact O-N 3.33Å |
| 89 | N | 47.8 | Very low | 49.8 | Very low | 148 Ų | 148 | 79.7 Ų | 79.7 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -79.1 | -21.9 | 174.9 | -76.8 | -21.9 | 0 | 0 | 0 | 113.6 | S85 W87 | S85-N89 PolarHBondContact O-N 3.44Å; W87-N89 PolarHBondContact O-N 3.07Å |
| 90 | V | 45.5 | Very low | 49.5 | Very low | 73 Ų | 73 | 88.4 Ų | 88.4 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -87.2 | -33.9 | -171 | 165.1 | 0 | 0 | 0 | 0 | 112.9 | S86 W87 | S86-V90 WeakPolarHBondContact O-CG2 3.33Å; S86-V90 PolarHBondContact O-N 3.28Å; W87-V90 PolarHBondContact O-N 3.04Å |
| 91 | Q | 47.8 | Very low | 49 | Very low | 72 Ų | 72 | 94.2 Ų | 94.2 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -158 | 38.7 | -172 | -79.4 | -157.8 | -42.3 | 0 | 0 | 119 | W87 E93 A94 I95 | W87-Q91 PolarHBondContact O-N 3.29Å; Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 3.46Å; Q91-A94 HydrophobicContact CB-CB 4.29Å; Q91-A94 HydrophobicContact CG-CB 3.9Å; Q91-I95 HydrophobicContact CB-CB 4.47Å; Q91-I95 HydrophobicContact CB-CD1 3.41Å; Q91-I95 VanDerWaalsContact CB-CD1 3.41Å; Q91-I95 HydrophobicContact CB-CG1 3.67Å; Q91-I95 HydrophobicContact CG-CD1 4.45Å; Q91-I95 HydrophobicContact CG-CG1 4.46Å; Q91-I95 WeakPolarHBondContact O-CB 3.38Å; Q91-I95 WeakPolarHBondContact O-CD1 3.12Å; Q91-I95 WeakPolarHBondContact O-CG1 3.49Å; Q91-I95 PolarHBondContact O-N 3.42Å; Q91-I95 VanDerWaalsContact O-N 3.11Å |
| 92 | S | 45 | Very low | 47.7 | Very low | 65 Ų | 65 | 90.8 Ų | 90.8 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -32.1 | 171.2 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | R96 | S92-R96 WeakPolarHBondContact O-CB 3.16Å; S92-R96 WeakPolarHBondContact O-CG 3.34Å; S92-R96 PolarHBondContact O-N 3Å; S92-R96 PolarHBondContact O-NE 3.08Å; S92-R96 VanDerWaalsContact O-NE 3.11Å |
| 93 | E | 45.2 | Very low | 46.5 | Very low | 106 Ų | 106 | 86 Ų | 86 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -85.6 | -41.6 | -179.2 | -152.8 | 78.9 | -167.1 | 0 | 0 | 112.4 | Q91 R96 K97 | Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 3.46Å; E93-R96 PolarHBondContact O-N 2.9Å; E93-R96 IonicContact OE1-NH1 2.92Å; E93-R96 IonicContact OE2-CZ 3.69Å; E93-R96 IonicContact OE2-NH1 3.85Å; E93-R96 PolarHBondContact OE2-NH1 2.96Å; E93-R96 IonicContact OE2-NH2 3.11Å; E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.47Å |
| 94 | A | 48.7 | Very low | 45.8 | Very low | 39 Ų | 39 | 88.6 Ų | 88.6 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.8 | -43.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q91 K97 C98 | Q91-A94 HydrophobicContact CB-CB 4.29Å; Q91-A94 HydrophobicContact CG-CB 3.9Å; A94-K97 PolarHBondContact O-N 3.26Å; A94-C98 WeakPolarHBondContact O-CB 3.24Å; A94-C98 PolarHBondContact O-N 3.34Å; A94-C98 PolarHBondContact O-SG 2.9Å; A94-C98 VanDerWaalsContact O-SG 3.39Å |
| 95 | I | 46.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 90.9 Ų | 90.9 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 172.8 | -69.3 | 158.8 | 0 | 0 | 0 | 110.2 | Q91 K97 C98 L99 | Q91-I95 HydrophobicContact CB-CB 4.47Å; Q91-I95 HydrophobicContact CB-CD1 3.41Å; Q91-I95 VanDerWaalsContact CB-CD1 3.41Å; Q91-I95 HydrophobicContact CB-CG1 3.67Å; Q91-I95 HydrophobicContact CG-CD1 4.45Å; Q91-I95 HydrophobicContact CG-CG1 4.46Å; Q91-I95 WeakPolarHBondContact O-CB 3.38Å; Q91-I95 WeakPolarHBondContact O-CD1 3.12Å; Q91-I95 WeakPolarHBondContact O-CG1 3.49Å; Q91-I95 PolarHBondContact O-N 3.42Å; Q91-I95 VanDerWaalsContact O-N 3.11Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.29Å; I95-C98 PolarHBondContact O-N 3.39Å; I95-L99 HydrophobicContact CG2-CD1 3.66Å; I95-L99 HydrophobicContact CG2-CG 4.13Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 VanDerWaalsContact O-CG 3.26Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 3.45Å |
| 96 | R | 46.9 | Very low | 44.7 | Very low | 128 Ų | 128 | 97.3 Ų | 97.3 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 173.4 | -89.1 | -171.6 | -102.9 | 124.1 | -3.8 | 112.6 | S92 E93 R100 | S92-R96 WeakPolarHBondContact O-CB 3.16Å; S92-R96 WeakPolarHBondContact O-CG 3.34Å; S92-R96 PolarHBondContact O-N 3Å; S92-R96 PolarHBondContact O-NE 3.08Å; S92-R96 VanDerWaalsContact O-NE 3.11Å; E93-R96 PolarHBondContact O-N 2.9Å; E93-R96 IonicContact OE1-NH1 2.92Å; E93-R96 IonicContact OE2-CZ 3.69Å; E93-R96 IonicContact OE2-NH1 3.85Å; E93-R96 PolarHBondContact OE2-NH1 2.96Å; E93-R96 IonicContact OE2-NH2 3.11Å; R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.4Å |
| 97 | K | 52.9 | Low | 44.1 | Very low | 138 Ų | 138 | 102.1 Ų | 102.1 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 177.6 | -82.3 | 176.1 | 178.2 | 174.2 | 0 | 111.8 | E93 A94 I95 R100 K101 | E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.47Å; A94-K97 PolarHBondContact O-N 3.26Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.29Å; K97-R100 PolarHBondContact O-N 2.72Å; K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.91Å |
| 98 | C | 44.1 | Very low | 43.9 | Very low | 80 Ų | 80 | 107.7 Ų | 107.7 | 54% | 0.541 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 174.9 | -72.1 | 0 | 0 | 0 | 0 | 112 | A94 I95 R100 K101 G102 | A94-C98 WeakPolarHBondContact O-CB 3.24Å; A94-C98 PolarHBondContact O-N 3.34Å; A94-C98 PolarHBondContact O-SG 2.9Å; A94-C98 VanDerWaalsContact O-SG 3.39Å; I95-C98 PolarHBondContact O-N 3.39Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.46Å; C98-K101 PolarHBondContact O-N 3.49Å; C98-G102 PolarHBondContact O-N 2.93Å |
| 99 | L | 44.7 | Very low | 44 | Very low | 75 Ų | 75 | 108.4 Ų | 108.4 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -34.7 | 176.4 | -69.8 | 170.8 | 0 | 0 | 0 | 112.6 | I95 G103 C104 | I95-L99 HydrophobicContact CG2-CD1 3.66Å; I95-L99 HydrophobicContact CG2-CG 4.13Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 VanDerWaalsContact O-CG 3.26Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 3.45Å; L99-G103 PolarHBondContact O-N 2.72Å; L99-C104 HydrophobicContact CB-CB 4.4Å; L99-C104 HydrophobicContact CD2-CB 3.9Å; L99-C104 PolarHBondContact O-N 3.5Å |
| 100 | R | 50 | Low | 43.5 | Very low | 197 Ų | 197 | 111.8 Ų | 111.8 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -39.1 | 174.6 | -167.2 | -176.1 | -63.1 | -146.7 | -0.2 | 112.1 | R96 K97 C98 | R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.4Å; K97-R100 PolarHBondContact O-N 2.72Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.46Å |
| 101 | K | 47 | Very low | 43.5 | Very low | 200 Ų | 200 | 115.4 Ų | 115.4 | 87% | 0.87 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.8 | -33.3 | 174.6 | -97.9 | -174.2 | 169.3 | -171 | 0 | 112.7 | K97 C98 G103 | K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.91Å; C98-K101 PolarHBondContact O-N 3.49Å; K101-G103 VanDerWaalsContact C-N 3.34Å; K101-G103 PolarHBondContact O-N 3.27Å |
| 102 | G | 35 | Very low | 43.2 | Very low | 41 Ų | 41 | 121.6 Ų | 121.6 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 5.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C98 C104 | C98-G102 PolarHBondContact O-N 2.93Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.24Å |
| 103 | G | 35.1 | Very low | 43.1 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 15.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L99 K101 V105 | L99-G103 PolarHBondContact O-N 2.72Å; K101-G103 VanDerWaalsContact C-N 3.34Å; K101-G103 PolarHBondContact O-N 3.27Å; G103-V105 PolarHBondContact O-N 2.69Å |
| 104 | C | 37.4 | Very low | 42.8 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 55% | 0.547 | 65% | 0.645 | S | S | . | * | trans | -97.8 | 37.1 | -174 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | L99 G102 | L99-C104 HydrophobicContact CB-CB 4.4Å; L99-C104 HydrophobicContact CD2-CB 3.9Å; L99-C104 PolarHBondContact O-N 3.5Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.24Å | ||
| 105 | V | 40.8 | Very low | 42.4 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | trans | -127 | 115.6 | 169.1 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | G103 D107 | G103-V105 PolarHBondContact O-N 2.69Å; V105-D107 PolarHBondContact O-N 2.93Å | ||
| 106 | K | 42.7 | Very low | 42 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | trans | -72 | 115.3 | 159.8 | -75 | 177.6 | 175.7 | 173.8 | 0 | 106.7 | D108 | K106-D108 PolarHBondContact O-N 3.46Š| ||
| 107 | D | 36.8 | Very low | 41.6 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -61.9 | 92.1 | -180 | -77.3 | -37.6 | 0 | 0 | 0 | 111 | V105 | V105-D107 PolarHBondContact O-N 2.93Š|
| 108 | D | 38.6 | Very low | 40.8 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | -152.7 | 33.9 | 172.7 | -91 | -34.7 | 0 | 0 | 0 | 114.6 | K106 | K106-D108 PolarHBondContact O-N 3.46Š| ||
| 109 | V | 45.6 | Very low | 40.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | -148.4 | 112.2 | 158.1 | -168.1 | 0 | 0 | 0 | 0 | 111 | L111 | V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 HydrophobicContact CG1-CD1 4.5Å; V109-L111 HydrophobicContact CG1-CD2 4.08Å; V109-L111 HydrophobicContact CG1-CG 3.81Å; V109-L111 PolarHBondContact O-N 3.45Å | ||
| 110 | K | 37.5 | Very low | 40.4 | Very low | 219 Ų | 219 | 140 Ų | 140 | 95% | 0.952 | 75% | 0.748 | S | S | * | * | trans | -68.7 | 84.8 | 168.1 | -77.7 | 178.9 | 176.9 | 174.7 | 0 | 110.3 | ||||
| 111 | L | 45.4 | Very low | 39.9 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -91.8 | 108.9 | 165.2 | -67.8 | 177.8 | 0 | 0 | 0 | 109.6 | V109 | V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 HydrophobicContact CG1-CD1 4.5Å; V109-L111 HydrophobicContact CG1-CD2 4.08Å; V109-L111 HydrophobicContact CG1-CG 3.81Å; V109-L111 PolarHBondContact O-N 3.45Å | ||
| 112 | R | 40.7 | Very low | 39.7 | Very low | 201 Ų | 201 | 138 Ų | 138 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -67.2 | 123.2 | 174.1 | 178.2 | -175.3 | 167.5 | 174.2 | -2.8 | 109.6 | D114 | R112-D114 IonicContact CZ-OD2 2.87Å; R112-D114 IonicContact NE-OD1 3.59Å; R112-D114 IonicContact NE-OD2 3.53Å; R112-D114 IonicContact NH2-OD1 3.71Å; R112-D114 IonicContact NH2-OD2 3.59Å | ||
| 113 | P | 43.2 | Very low | 40.1 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -89.3 | 110.4 | 176.7 | 31.2 | -25 | 0 | 0 | 0 | 109.8 | ||||
| 114 | D | 38.4 | Very low | 40.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -99.7 | 121.2 | 167.9 | -84.8 | -24.5 | 0 | 0 | 0 | 109.9 | R112 | R112-D114 IonicContact CZ-OD2 2.87Å; R112-D114 IonicContact NE-OD1 3.59Å; R112-D114 IonicContact NE-OD2 3.53Å; R112-D114 IonicContact NH2-OD1 3.71Å; R112-D114 IonicContact NH2-OD2 3.59Å | ||
| 115 | S | 41.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 87.1 | 112.8 | 161.4 | -29.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 116 | P | 37.8 | Very low | 41.5 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -88.1 | 107.4 | 170.8 | 33.1 | -25.9 | 0 | 0 | 0 | 110.1 | ||||
| 117 | T | 37.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -82.4 | 126.1 | 162 | -51.8 | 0 | 0 | 0 | 0 | 107.6 | D119 | T117-D119 PolarHBondContact O-N 3.29Š| ||
| 118 | R | 36.2 | Very low | 42.3 | Very low | 245 Ų | 245 | 137.6 Ų | 137.6 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -52.2 | 99.8 | -179.1 | -84.6 | 172.4 | 67.1 | 168 | 2.5 | 111.3 | ||||
| 119 | D | 39.9 | Very low | 43.4 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -80.5 | 130 | 161 | -70.9 | -35 | 0 | 0 | 0 | 108.6 | T117 E121 | T117-D119 PolarHBondContact O-N 3.29Å; D119-E121 PolarHBondContact O-N 2.94Å | ||
| 120 | A | 40.6 | Very low | 43.8 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -54.8 | 126 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I122 | A120-I122 PolarHBondContact O-N 2.86Š| ||
| 121 | E | 39 | Very low | 44.5 | Very low | 190 Ų | 190 | 123.5 Ų | 123.5 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -51.9 | 105.7 | 168.1 | -72.7 | 169.5 | 162.9 | 0 | 0 | 108 | D119 E123 | D119-E121 PolarHBondContact O-N 2.94Å; E121-E123 PolarHBondContact O-N 3.11Å | ||
| 122 | I | 43.1 | Very low | 45.3 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | -69.9 | 98.2 | 159.1 | -55 | 174.9 | 0 | 0 | 0 | 103.4 | A120 G124 | A120-I122 PolarHBondContact O-N 2.86Å; I122-G124 PolarHBondContact O-N 3.06Å; I122-G124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | E | 43.9 | Very low | 46.1 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | trans | -44.8 | 118 | 171.7 | -172 | 168.1 | -166.8 | 0 | 0 | 108 | E121 A125 | E121-E123 PolarHBondContact O-N 3.11Å; E123-A125 HydrophobicContact CG-CB 4.36Å; E123-A125 PolarHBondContact O-N 3.1Å | ||
| 124 | G | 42.9 | Very low | 46.8 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -70.6 | 37.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | I122 | I122-G124 PolarHBondContact O-N 3.06Å; I122-G124 VanDerWaalsContact O-N 3.11Å |
| 125 | A | 42.3 | Very low | 47.6 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 56% | 0.562 | 61% | 0.608 | S | S | * | * | trans | -104.8 | 31.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E123 | E123-A125 HydrophobicContact CG-CB 4.36Å; E123-A125 PolarHBondContact O-N 3.1Å | ||
| 126 | D | 57.9 | Low | 48.5 | Very low | 62 Ų | 62 | 111.8 Ų | 111.8 | 33% | 0.332 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -140.7 | -34.5 | -175.5 | -177.6 | -0.1 | 0 | 0 | 0 | 113.4 | F46 D129 F130 | F46-D126 HydrophobicContact CE1-CB 3.86Å; F46-D126 VanDerWaalsContact CE1-CG 3.47Å; F46-D126 WeakPolarHBondContact CE2-OD1 3.24Å; F46-D126 WeakPolarHBondContact CE2-OD2 3.33Å; F46-D126 HydrophobicContact CZ-CB 3.86Å; F46-D126 WeakPolarHBondContact CZ-OD1 3.43Å; F46-D126 VanDerWaalsContact CZ-OD2 3.24Å; F46-D126 WeakPolarHBondContact CZ-OD2 3.36Å; D126-D129 WeakPolarHBondContact O-CB 3.4Å; D126-D129 PolarHBondContact O-N 3.37Å; D126-F130 PolarHBondContact O-N 3.37Å |
| 127 | F | 44.2 | Very low | 49.2 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68 | -45.4 | -178.7 | -171.7 | -102.7 | 0 | 0 | 0 | 112.7 | D129 F130 V131 | F127-D129 PolarHBondContact O-N 3.18Å; F127-F130 PolarHBondContact O-N 2.9Å; F127-F130 VanDerWaalsContact O-N 3.14Å; F127-V131 HydrophobicContact CD1-CG2 3.84Å; F127-V131 HydrophobicContact CE1-CG2 3.44Å; F127-V131 VanDerWaalsContact CE1-CG2 3.44Å; F127-V131 HydrophobicContact CE2-CG2 4.2Å; F127-V131 HydrophobicContact CG-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 3.64Å; F127-V131 WeakPolarHBondContact O-CG2 3.48Å; F127-V131 PolarHBondContact O-N 3.39Å |
| 128 | D | 52.1 | Low | 49.5 | Very low | 121 Ų | 121 | 105.1 Ų | 105.1 | 65% | 0.647 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -30.4 | 178.4 | -64.1 | -18.4 | 0 | 0 | 0 | 111.8 | A132 | D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.88Å |
| 129 | D | 61.2 | Low | 49.6 | Very low | 78 Ų | 78 | 100.5 Ų | 100.5 | 42% | 0.417 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.9 | -42.3 | 174.2 | -115.5 | 35.9 | 0 | 0 | 0 | 111.1 | K45 D126 F127 I133 | K45-D129 IonicContact NZ-OD2 3.71Å; K45-D129 PolarHBondContact NZ-OD2 2.81Å; D126-D129 WeakPolarHBondContact O-CB 3.4Å; D126-D129 PolarHBondContact O-N 3.37Å; F127-D129 PolarHBondContact O-N 3.18Å; D129-I133 WeakPolarHBondContact O-CD1 3.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.19Å; D129-I133 PolarHBondContact O-N 3.46Å; D129-I133 VanDerWaalsContact O-N 3.14Å |
| 130 | F | 53.4 | Low | 49.8 | Very low | 88 Ų | 88 | 97.4 Ų | 97.4 | 39% | 0.386 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -45.5 | 175.7 | -179.5 | -90.9 | 0 | 0 | 0 | 111.6 | F42 D126 F127 I133 D134 | F42-F130 HydrophobicContact CE2-CD2 4.47Å; F42-F130 HydrophobicContact CE2-CE2 4.47Å; F42-F130 AromaticContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CE2 4.28Å; D126-F130 PolarHBondContact O-N 3.37Å; F127-F130 PolarHBondContact O-N 2.9Å; F127-F130 VanDerWaalsContact O-N 3.14Å; F130-I133 PolarHBondContact O-N 2.89Å; F130-D134 PolarHBondContact O-N 2.95Å |
| 131 | V | 53.9 | Low | 50.2 | Low | 31 Ų | 31 | 99.1 Ų | 99.1 | 19% | 0.188 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | F127 I133 D134 D135 | F127-V131 HydrophobicContact CD1-CG2 3.84Å; F127-V131 HydrophobicContact CE1-CG2 3.44Å; F127-V131 VanDerWaalsContact CE1-CG2 3.44Å; F127-V131 HydrophobicContact CE2-CG2 4.2Å; F127-V131 HydrophobicContact CG-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 3.64Å; F127-V131 WeakPolarHBondContact O-CG2 3.48Å; F127-V131 PolarHBondContact O-N 3.39Å; V131-I133 VanDerWaalsContact C-N 3.27Å; V131-I133 PolarHBondContact O-N 3.22Å; V131-D134 PolarHBondContact O-N 3.34Å; V131-D134 VanDerWaalsContact O-N 3.13Å; V131-D135 WeakPolarHBondContact O-CB 3.21Å; V131-D135 PolarHBondContact O-N 3.06Å |
| 132 | A | 60.9 | Low | 50.4 | Low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.2 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D128 E136 | D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.88Å; A132-E136 WeakPolarHBondContact O-CB 3.47Å; A132-E136 PolarHBondContact O-N 3.1Å |
| 133 | I | 57.6 | Low | 50.8 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 25% | 0.246 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -69 | -41 | 174.8 | -68.8 | 164.8 | 0 | 0 | 0 | 111.3 | D129 F130 V131 V137 | D129-I133 WeakPolarHBondContact O-CD1 3.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.19Å; D129-I133 PolarHBondContact O-N 3.46Å; D129-I133 VanDerWaalsContact O-N 3.14Å; F130-I133 PolarHBondContact O-N 2.89Å; V131-I133 VanDerWaalsContact C-N 3.27Å; V131-I133 PolarHBondContact O-N 3.22Å; I133-V137 VanDerWaalsContact O-CG2 3.24Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 2.98Å |
| 134 | D | 57.6 | Low | 51.4 | Low | 70 Ų | 70 | 87.8 Ų | 87.8 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 177.8 | -163.7 | 64.8 | 0 | 0 | 0 | 111.2 | R24 F130 V131 V137 | R24-D134 IonicContact NH2-OD1 3.75Å; R24-D134 PolarHBondContact NH2-OD1 2.9Å; R24-D134 VanDerWaalsContact NH2-OD1 3.11Å; F130-D134 PolarHBondContact O-N 2.95Å; V131-D134 PolarHBondContact O-N 3.34Å; V131-D134 VanDerWaalsContact O-N 3.13Å; D134-V137 PolarHBondContact O-N 3.13Å |
| 135 | D | 56.6 | Low | 51.9 | Low | 110 Ų | 110 | 88.8 Ų | 88.8 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.7 | -35.9 | 177.5 | -82.5 | -14.3 | 0 | 0 | 0 | 113.3 | V131 V137 | V131-D135 WeakPolarHBondContact O-CB 3.21Å; V131-D135 PolarHBondContact O-N 3.06Å; D135-V137 PolarHBondContact O-N 3.3Å |
| 136 | E | 60.6 | Low | 52.6 | Low | 166 Ų | 166 | 92.8 Ų | 92.8 | 78% | 0.776 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -24 | 175.6 | -170.6 | 178.2 | -177 | 0 | 0 | 111.5 | A132 A138 | A132-E136 WeakPolarHBondContact O-CB 3.47Å; A132-E136 PolarHBondContact O-N 3.1Å; E136-A138 PolarHBondContact O-N 3.44Å |
| 137 | V | 51.4 | Low | 52.8 | Low | 41 Ų | 41 | 92.3 Ų | 92.3 | 25% | 0.248 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -79 | 70.7 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | V21 A25 I133 D134 D135 T139 | V21-V137 HydrophobicContact CG1-CG2 4.05Å; A25-V137 HydrophobicContact CB-CG1 3.89Å; I133-V137 VanDerWaalsContact O-CG2 3.24Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 2.98Å; D134-V137 PolarHBondContact O-N 3.13Å; D135-V137 PolarHBondContact O-N 3.3Å; V137-T139 PolarHBondContact O-N 3.27Å |
| 138 | A | 44.2 | Very low | 53.3 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | trans | -54.1 | 133.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E136 S140 | E136-A138 PolarHBondContact O-N 3.44Å; A138-S140 PolarHBondContact O-N 3Å | ||
| 139 | T | 38 | Very low | 53.4 | Low | 148 Ų | 148 | 88.4 Ų | 88.4 | 91% | 0.908 | 50% | 0.498 | S | S | * | . | trans | -61 | 83.4 | 175.2 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | V137 | V137-T139 PolarHBondContact O-N 3.27Š| ||
| 140 | S | 43.9 | Very low | 53.4 | Low | 85 Ų | 85 | 89 Ų | 89 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | trans | -75.9 | 140.3 | 170 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | A138 | A138-S140 PolarHBondContact O-N 3Š| ||
| 141 | T | 50.7 | Low | 53.8 | Low | 127 Ų | 127 | 88.9 Ų | 88.9 | 78% | 0.779 | 50% | 0.498 | S | S | * | . | trans | -25.2 | 130.2 | 178.4 | -29.3 | 0 | 0 | 0 | 0 | 113.9 | P143 | T141-P143 WeakPolarHBondContact O-CD 3.49Š| ||
| 142 | E | 42.8 | Very low | 53.9 | Low | 158 Ų | 158 | 90.9 Ų | 90.9 | 74% | 0.738 | 51% | 0.507 | S | S | * | . | trans | -40.5 | 108 | 174.6 | -175.4 | 177.9 | -167.3 | 0 | 0 | 110.2 | ||||
| 143 | P | 50.4 | Low | 53.7 | Low | 40 Ų | 40 | 89.2 Ų | 89.2 | 26% | 0.26 | 49% | 0.491 | S | S | . | . | trans | -73.3 | 148.3 | 177.4 | 26.2 | -29.1 | 0 | 0 | 0 | 109.8 | A26 T141 P145 I148 | A26-P143 VanDerWaalsContact CA-CD 3.49Å; A26-P143 HydrophobicContact CB-CB 4.44Å; A26-P143 HydrophobicContact CB-CG 3.21Å; A26-P143 VanDerWaalsContact O-CD 3.25Å; A26-P143 WeakPolarHBondContact O-CD 3.44Å; A26-P143 WeakPolarHBondContact O-CG 3.49Å; T141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-P145 WeakPolarHBondContact O-CD 3.22Å; P143-I148 HydrophobicContact CB-CD1 4.36Å; P143-I148 HydrophobicContact CB-CG1 4.24Å; P143-I148 HydrophobicContact CG-CD1 3.85Å; P143-I148 HydrophobicContact CG-CG1 4.08Å | ||
| 144 | D | 57.5 | Low | 53.9 | Low | 87 Ų | 87 | 92.1 Ų | 92.1 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | trans | -53.3 | 120.8 | 175.3 | 170.9 | 25.4 | 0 | 0 | 0 | 110.6 | Q146 A147 I148 | D144-Q146 PolarHBondContact O-N 3.29Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.13Å; D144-A147 HydrophobicContact CB-CB 4.03Å; D144-A147 WeakPolarHBondContact O-CB 3.47Å; D144-A147 PolarHBondContact O-N 3.34Å; D144-A147 PolarHBondContact OD2-N 3.05Å; D144-I148 PolarHBondContact O-N 3.1Å | ||
| 145 | P | 52.2 | Low | 54.1 | Low | 92 Ų | 92 | 93 Ų | 93 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -51.8 | -32.2 | 177.7 | -28.4 | 35.4 | 0 | 0 | 0 | 113.7 | P143 F149 | P143-P145 WeakPolarHBondContact O-CD 3.22Å; P145-F149 PolarHBondContact O-N 3.32Å |
| 146 | Q | 57.9 | Low | 54 | Low | 151 Ų | 151 | 90.1 Ų | 90.1 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70 | -39.7 | 175.9 | -92.7 | 164.7 | -38.3 | 0 | 0 | 112.6 | D144 I148 F149 Q150 | D144-Q146 PolarHBondContact O-N 3.29Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.13Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3.05Å; Q146-F149 PolarHBondContact O-N 3.48Å; Q146-Q150 WeakPolarHBondContact O-CB 3.19Å; Q146-Q150 PolarHBondContact O-N 3.29Å |
| 147 | A | 61.1 | Low | 53.4 | Low | 52 Ų | 52 | 85.5 Ų | 85.5 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D144 F151 | D144-A147 HydrophobicContact CB-CB 4.03Å; D144-A147 WeakPolarHBondContact O-CB 3.47Å; D144-A147 PolarHBondContact O-N 3.34Å; D144-A147 PolarHBondContact OD2-N 3.05Å; A147-F151 VanDerWaalsContact O-CB 3.25Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.47Å |
| 148 | I | 56.4 | Low | 53.1 | Low | 29 Ų | 29 | 89.3 Ų | 89.3 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 176.2 | -55.7 | 160.6 | 0 | 0 | 0 | 110.2 | A26 A28 P143 D144 Q146 F151 I152 | A26-I148 HydrophobicContact CB-CD1 3.84Å; A26-I148 HydrophobicContact CB-CG1 4.03Å; A28-I148 HydrophobicContact CB-CD1 3.94Å; A28-I148 HydrophobicContact CB-CG2 3.93Å; P143-I148 HydrophobicContact CB-CD1 4.36Å; P143-I148 HydrophobicContact CB-CG1 4.24Å; P143-I148 HydrophobicContact CG-CD1 3.85Å; P143-I148 HydrophobicContact CG-CG1 4.08Å; D144-I148 PolarHBondContact O-N 3.1Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3.05Å; I148-F151 PolarHBondContact O-N 3.22Å; I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 WeakPolarHBondContact O-CD1 3.38Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 3.13Å |
| 149 | F | 52.6 | Low | 53.3 | Low | 127 Ų | 127 | 90.1 Ų | 90.1 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 179.6 | -169.9 | -105.6 | 0 | 0 | 0 | 111.5 | P145 Q146 I152 L153 | P145-F149 PolarHBondContact O-N 3.32Å; Q146-F149 PolarHBondContact O-N 3.48Å; F149-I152 PolarHBondContact O-N 3.47Å; F149-L153 HydrophobicContact CD1-CD1 3.56Å; F149-L153 HydrophobicContact CD1-CG 4.34Å; F149-L153 HydrophobicContact CE1-CD1 3.42Å; F149-L153 VanDerWaalsContact CE1-CD1 3.42Å; F149-L153 HydrophobicContact CE1-CG 4.19Å; F149-L153 HydrophobicContact CG-CD1 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.2Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.21Å; F149-L153 PolarHBondContact O-N 3.34Å |
| 150 | Q | 61.8 | Low | 53.6 | Low | 91 Ų | 91 | 87.8 Ų | 87.8 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 178.2 | -160.9 | 60.1 | 39.9 | 0 | 0 | 112.2 | Q146 I152 L153 D154 | Q146-Q150 WeakPolarHBondContact O-CB 3.19Å; Q146-Q150 PolarHBondContact O-N 3.29Å; Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 3.24Å; Q150-L153 WeakPolarHBondContact O-CB 3.48Å; Q150-L153 PolarHBondContact O-N 2.93Å; Q150-D154 PolarHBondContact NE2-OD1 3.37Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.14Å; Q150-D154 WeakPolarHBondContact O-CB 3.17Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.44Å |
| 151 | F | 61.8 | Low | 53.8 | Low | 86 Ų | 86 | 91.3 Ų | 91.3 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 173.9 | 179.1 | -96.3 | 0 | 0 | 0 | 111.9 | A147 I148 L153 D154 E155 | A147-F151 VanDerWaalsContact O-CB 3.25Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.47Å; I148-F151 PolarHBondContact O-N 3.22Å; F151-L153 VanDerWaalsContact C-N 3.33Å; F151-L153 PolarHBondContact O-N 3.1Å; F151-D154 PolarHBondContact O-N 2.8Å; F151-E155 WeakPolarHBondContact O-CB 3.26Å; F151-E155 PolarHBondContact O-N 2.98Å |
| 152 | I | 55.4 | Low | 53.2 | Low | 72 Ų | 72 | 89.6 Ų | 89.6 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.5 | -67.5 | 163.7 | 0 | 0 | 0 | 111 | M23 I148 F149 Q150 A156 | M23-I152 HydrophobicContact CE-CD1 3.91Å; I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 WeakPolarHBondContact O-CD1 3.38Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 3.13Å; F149-I152 PolarHBondContact O-N 3.47Å; Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 3.24Å; I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.36Å |
| 153 | L | 56.4 | Low | 53.1 | Low | 18 Ų | 18 | 87.9 Ų | 87.9 | 9% | 0.094 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 178.7 | -73.1 | 169.1 | 0 | 0 | 0 | 112.2 | F149 Q150 F151 A156 G157 M158 V160 | F149-L153 HydrophobicContact CD1-CD1 3.56Å; F149-L153 HydrophobicContact CD1-CG 4.34Å; F149-L153 HydrophobicContact CE1-CD1 3.42Å; F149-L153 VanDerWaalsContact CE1-CD1 3.42Å; F149-L153 HydrophobicContact CE1-CG 4.19Å; F149-L153 HydrophobicContact CG-CD1 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.2Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.21Å; F149-L153 PolarHBondContact O-N 3.34Å; Q150-L153 WeakPolarHBondContact O-CB 3.48Å; Q150-L153 PolarHBondContact O-N 2.93Å; F151-L153 VanDerWaalsContact C-N 3.33Å; F151-L153 PolarHBondContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 3.18Å; L153-G157 PolarHBondContact O-N 2.83Å; L153-G157 VanDerWaalsContact O-N 3.16Å; L153-M158 WeakPolarHBondContact CB-O 3.32Å; L153-M158 HydrophobicContact CD2-CB 4.07Å; L153-M158 PolarHBondContact O-N 2.94Å; L153-V160 HydrophobicContact CD1-CG2 3.33Å; L153-V160 HydrophobicContact CD2-CG2 3.87Å; L153-V160 HydrophobicContact CG-CG2 4.22Å |
| 154 | D | 62.9 | Low | 52.5 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | -179.4 | -69.8 | -6.3 | 0 | 0 | 0 | 110.9 | Q150 F151 G157 | Q150-D154 PolarHBondContact NE2-OD1 3.37Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.14Å; Q150-D154 WeakPolarHBondContact O-CB 3.17Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.44Å; F151-D154 PolarHBondContact O-N 2.8Å; D154-G157 PolarHBondContact O-N 3.35Å |
| 155 | E | 60.7 | Low | 51.9 | Low | 88 Ų | 88 | 92 Ų | 92 | 41% | 0.411 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.5 | -36.7 | 178.9 | -169.9 | 71.3 | -161.4 | 0 | 0 | 112.2 | F15 F151 G157 | F15-E155 HydrophobicContact CE2-CG 3.39Å; F15-E155 HydrophobicContact CZ-CG 3.6Å; F151-E155 WeakPolarHBondContact O-CB 3.26Å; F151-E155 PolarHBondContact O-N 2.98Å; E155-G157 PolarHBondContact O-N 3.21Å |
| 156 | A | 54.3 | Low | 51.8 | Low | 49 Ų | 49 | 90.9 Ų | 90.9 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -3.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I152 L153 M158 | I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.36Å; L153-A156 PolarHBondContact O-N 3.18Å; A156-M158 HydrophobicContact CB-CB 4.35Å; A156-M158 HydrophobicContact CB-CG 3.86Å; A156-M158 HydrophobicContact CB-SD 4.07Å; A156-M158 PolarHBondContact O-N 2.86Å |
| 157 | G | 48.5 | Very low | 51.5 | Low | 69 Ų | 69 | 91.7 Ų | 91.7 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 20.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L153 D154 E155 | L153-G157 PolarHBondContact O-N 2.83Å; L153-G157 VanDerWaalsContact O-N 3.16Å; D154-G157 PolarHBondContact O-N 3.35Å; E155-G157 PolarHBondContact O-N 3.21Å |
| 158 | M | 45 | Very low | 51.3 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 60% | 0.601 | 59% | 0.585 | S | S | * | * | trans | -95.6 | 101.6 | -178.7 | -66 | -177.4 | 76.7 | 0 | 0 | 108.7 | L153 A156 | L153-M158 WeakPolarHBondContact CB-O 3.32Å; L153-M158 HydrophobicContact CD2-CB 4.07Å; L153-M158 PolarHBondContact O-N 2.94Å; A156-M158 HydrophobicContact CB-CB 4.35Å; A156-M158 HydrophobicContact CB-CG 3.86Å; A156-M158 HydrophobicContact CB-SD 4.07Å; A156-M158 PolarHBondContact O-N 2.86Å | ||
| 159 | S | 48.1 | Very low | 51.2 | Low | 91 Ų | 91 | 98 Ų | 98 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -73.6 | 135.2 | 165.8 | 63.3 | 0 | 0 | 0 | 0 | 109.3 | E161 | S159-E161 PolarHBondContact O-N 3.11Š| ||
| 160 | V | 44.9 | Very low | 51.2 | Low | 100 Ų | 100 | 100.4 Ų | 100.4 | 61% | 0.606 | 62% | 0.617 | S | S | * | * | trans | -71.7 | 79.1 | 167 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | L153 A162 | L153-V160 HydrophobicContact CD1-CG2 3.33Å; L153-V160 HydrophobicContact CD2-CG2 3.87Å; L153-V160 HydrophobicContact CG-CG2 4.22Å; V160-A162 PolarHBondContact O-N 3.47Å | ||
| 161 | E | 47.5 | Very low | 50.5 | Low | 159 Ų | 159 | 105.3 Ų | 105.3 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -74.5 | 106.2 | 163.3 | -79.5 | -75.6 | 143.5 | 0 | 0 | 107 | S159 S163 | S159-E161 PolarHBondContact O-N 3.11Å; E161-S163 VanDerWaalsContact C-N 3.29Å; E161-S163 PolarHBondContact O-N 3.44Å | ||
| 162 | A | 38.5 | Very low | 49.7 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | trans | -62.1 | 88.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V160 S164 | V160-A162 PolarHBondContact O-N 3.47Å; A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 2.9Å | ||
| 163 | S | 41.3 | Very low | 49 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | trans | -78.3 | 82.6 | 165.1 | 55.6 | 0 | 0 | 0 | 0 | 109 | E161 | E161-S163 VanDerWaalsContact C-N 3.29Å; E161-S163 PolarHBondContact O-N 3.44Å | ||
| 164 | S | 37 | Very low | 48.4 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -83.8 | 109.4 | 160.2 | 79 | 0 | 0 | 0 | 0 | 108.4 | A162 | A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 2.9Å | ||
| 165 | A | 45.8 | Very low | 47.3 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | 177.7 | 121.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 166 | G | 50.6 | Low | 46.5 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 101.8 | 105.9 | 134 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 167 | D | 50.8 | Low | 45.7 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | 61.8 | 143.4 | 136.7 | -67.3 | -10.8 | 0 | 0 | 0 | 118.7 | ||||
| 168 | D | 56.4 | Low | 45.2 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -175.6 | 156 | -5.3 | 178.8 | 16.7 | 0 | 0 | 0 | 103.1 | ||||
| 169 | A | 54.6 | Low | 44.8 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | trans | 23 | 129.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 170 | E | 53.2 | Low | 44.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -162.6 | 147.8 | 76.1 | -80 | -66.4 | 158.6 | 0 | 0 | 110.2 | |||||
| 171 | K | 47.3 | Very low | 44.1 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 143.1 | 176.4 | -68 | 170.8 | 175.3 | 168.7 | 0 | 110.6 | ||||
| 172 | E | 43.8 | Very low | 43.6 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | -158.6 | 128.8 | 124.8 | -107.9 | 177.3 | -164.9 | 0 | 0 | 109.9 | |||||
| 173 | S | 41.6 | Very low | 43.7 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -91.8 | 128 | -178.6 | 140 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 174 | D | 44.6 | Very low | 44.2 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -129.3 | 115.9 | 154.2 | -146.8 | -1.2 | 0 | 0 | 0 | 109.2 | E176 | D174-E176 PolarHBondContact O-N 3.38Š| ||
| 175 | S | 37.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | -81.7 | 98.4 | -175.2 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | T177 | S175-T177 PolarHBondContact O-N 3.4Å; S175-T177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | E | 43.9 | Very low | 44.8 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 106.8 | 161.2 | -81.6 | -170.2 | 138.9 | 0 | 0 | 108.6 | D174 E178 | D174-E176 PolarHBondContact O-N 3.38Å; E176-E178 PolarHBondContact O-N 3.5Å | ||
| 177 | T | 37.7 | Very low | 44.6 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | trans | -57.8 | 105.7 | 172.8 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | S175 M179 | S175-T177 PolarHBondContact O-N 3.4Å; S175-T177 VanDerWaalsContact O-N 3.14Å; T177-M179 PolarHBondContact O-N 3.11Å | ||
| 178 | E | 39.6 | Very low | 44.4 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -64.7 | 93.6 | 172.5 | -161.9 | -172.7 | 168.4 | 0 | 0 | 109.9 | E176 V180 | E176-E178 PolarHBondContact O-N 3.5Å; E178-V180 HydrophobicContact CG-CG2 3.65Å; E178-V180 PolarHBondContact O-N 2.86Å; E178-V180 WeakPolarHBondContact OE1-CG2 3.16Å | ||
| 179 | M | 35.1 | Very low | 44.2 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -74.1 | 79.3 | 168.3 | -70.4 | -162.1 | -70.1 | 0 | 0 | 109.6 | T177 Q181 | T177-M179 PolarHBondContact O-N 3.11Å; M179-Q181 PolarHBondContact O-N 3.43Å | ||
| 180 | V | 33.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | trans | -71.3 | 84.3 | 167 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | E178 K182 | E178-V180 HydrophobicContact CG-CG2 3.65Å; E178-V180 PolarHBondContact O-N 2.86Å; E178-V180 WeakPolarHBondContact OE1-CG2 3.16Å; V180-K182 PolarHBondContact O-N 3.35Å | ||
| 181 | Q | 45.3 | Very low | 43.7 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | trans | -70.2 | 112.3 | 165.4 | -76.1 | -169.4 | -9.9 | 0 | 0 | 108.4 | M179 L183 | M179-Q181 PolarHBondContact O-N 3.43Å; Q181-L183 PolarHBondContact O-N 3.27Å | ||
| 182 | K | 37.6 | Very low | 43.7 | Very low | 201 Ų | 201 | 121 Ų | 121 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | trans | -59.6 | 103 | 169.7 | -112.3 | 177.4 | 175.7 | 178.9 | 0 | 108.6 | V180 N184 | V180-K182 PolarHBondContact O-N 3.35Å; K182-N184 PolarHBondContact O-N 3.37Å | ||
| 183 | L | 40.8 | Very low | 44 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 45% | 0.45 | 62% | 0.615 | S | S | . | * | trans | -58.2 | 125.3 | 167.1 | -76.7 | 163.3 | 0 | 0 | 0 | 108.3 | Q181 H187 V188 M191 | Q181-L183 PolarHBondContact O-N 3.27Å; L183-H187 HydrophobicContact CD2-CB 4Å; L183-V188 HydrophobicContact CB-CG2 4.1Å; L183-M191 HydrophobicContact CD1-CE 4.04Å; L183-M191 HydrophobicContact CD2-CE 4.44Å | ||
| 184 | N | 50.2 | Low | 44.4 | Very low | 71 Ų | 71 | 114 Ų | 114 | 38% | 0.38 | 60% | 0.596 | S | S | . | * | trans | -74.6 | 160.6 | 171.9 | 78.4 | 9.6 | 0 | 0 | 0 | 109.8 | K182 E186 H187 V188 | K182-N184 PolarHBondContact O-N 3.37Å; N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.39Å; N184-H187 VanDerWaalsContact CG-ND1 3.33Å; N184-H187 PolarHBondContact O-N 2.87Å; N184-H187 WeakPolarHBondContact OD1-CB 2.88Å; N184-H187 PolarHBondContact OD1-N 2.86Å; N184-H187 PolarHBondContact OD1-ND1 2.79Å; N184-V188 PolarHBondContact O-N 2.9Å | ||
| 185 | E | 46.4 | Very low | 44.4 | Very low | 179 Ų | 179 | 112 Ų | 112 | 84% | 0.836 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.9 | -30.4 | -176.8 | -155 | 169.8 | -163.4 | 0 | 0 | 112.5 | V188 G189 | E185-V188 PolarHBondContact O-N 3.02Å; E185-G189 PolarHBondContact O-N 3.31Å |
| 186 | E | 49.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 114.3 Ų | 114.3 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 177.1 | -165.6 | 174.3 | -165.9 | 0 | 0 | 112.4 | N184 G189 C190 | N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.39Å; E186-G189 PolarHBondContact O-N 3.14Å; E186-C190 PolarHBondContact O-N 3.31Å |
| 187 | H | 46.8 | Very low | 44.8 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 36% | 0.356 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -41.5 | 174.9 | -71.9 | 133.2 | 0 | 0 | 0 | 111.1 | L183 N184 G189 C190 M191 | L183-H187 HydrophobicContact CD2-CB 4Å; N184-H187 VanDerWaalsContact CG-ND1 3.33Å; N184-H187 PolarHBondContact O-N 2.87Å; N184-H187 WeakPolarHBondContact OD1-CB 2.88Å; N184-H187 PolarHBondContact OD1-N 2.86Å; N184-H187 PolarHBondContact OD1-ND1 2.79Å; H187-G189 VanDerWaalsContact C-N 3.35Å; H187-C190 PolarHBondContact O-N 3.14Å; H187-M191 WeakPolarHBondContact O-CG 3.21Å; H187-M191 PolarHBondContact O-N 3.11Å |
| 188 | V | 45.5 | Very low | 45 | Very low | 58 Ų | 58 | 109.3 Ų | 109.3 | 35% | 0.352 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | L183 N184 E185 M191 L192 | L183-V188 HydrophobicContact CB-CG2 4.1Å; N184-V188 PolarHBondContact O-N 2.9Å; E185-V188 PolarHBondContact O-N 3.02Å; V188-M191 HydrophobicContact CG2-CE 4.34Å; V188-M191 PolarHBondContact O-N 3.14Å; V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 WeakPolarHBondContact O-CB 3.17Å; V188-L192 PolarHBondContact O-N 3.36Å |
| 189 | G | 53.1 | Low | 45 | Very low | 30 Ų | 30 | 104.2 Ų | 104.2 | 31% | 0.309 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E185 E186 H187 L192 T193 | E185-G189 PolarHBondContact O-N 3.31Å; E186-G189 PolarHBondContact O-N 3.14Å; H187-G189 VanDerWaalsContact C-N 3.35Å; G189-L192 PolarHBondContact O-N 2.84Å; G189-T193 WeakPolarHBondContact O-CB 3.38Å; G189-T193 PolarHBondContact O-N 2.92Å; G189-T193 PolarHBondContact O-OG1 2.87Å |
| 190 | C | 47.9 | Very low | 44.8 | Very low | 77 Ų | 77 | 102.9 Ų | 102.9 | 52% | 0.52 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -45.7 | 174.8 | -90.2 | 0 | 0 | 0 | 0 | 111.9 | E186 H187 L192 T193 Q194 | E186-C190 PolarHBondContact O-N 3.31Å; H187-C190 PolarHBondContact O-N 3.14Å; C190-L192 PolarHBondContact O-N 3.12Å; C190-T193 PolarHBondContact O-N 3.29Å; C190-Q194 WeakPolarHBondContact O-CG 3.35Å; C190-Q194 PolarHBondContact O-N 2.87Å |
| 191 | M | 48.6 | Very low | 45.4 | Very low | 65 Ų | 65 | 102.9 Ų | 102.9 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -42.3 | 176.4 | -70.4 | -171 | -55.1 | 0 | 0 | 112 | L183 H187 V188 T193 Q194 L195 | L183-M191 HydrophobicContact CD1-CE 4.04Å; L183-M191 HydrophobicContact CD2-CE 4.44Å; H187-M191 WeakPolarHBondContact O-CG 3.21Å; H187-M191 PolarHBondContact O-N 3.11Å; V188-M191 HydrophobicContact CG2-CE 4.34Å; V188-M191 PolarHBondContact O-N 3.14Å; M191-T193 VanDerWaalsContact C-N 3.32Å; M191-T193 PolarHBondContact O-N 2.94Å; M191-Q194 PolarHBondContact O-N 3.27Å; M191-L195 WeakPolarHBondContact O-CB 3.35Å; M191-L195 PolarHBondContact O-N 2.96Å |
| 192 | L | 47.2 | Very low | 45.4 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -39.2 | 174.8 | -105.9 | 145.7 | 0 | 0 | 0 | 112.1 | V188 G189 C190 K196 | V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 WeakPolarHBondContact O-CB 3.17Å; V188-L192 PolarHBondContact O-N 3.36Å; G189-L192 PolarHBondContact O-N 2.84Å; C190-L192 PolarHBondContact O-N 3.12Å; L192-K196 WeakPolarHBondContact O-CB 3.42Å; L192-K196 WeakPolarHBondContact O-CG 3.21Å; L192-K196 PolarHBondContact O-N 2.92Å |
| 193 | T | 50.2 | Low | 45.8 | Very low | 84 Ų | 84 | 95.9 Ų | 95.9 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 176.8 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | G189 C190 M191 K196 C197 | G189-T193 WeakPolarHBondContact O-CB 3.38Å; G189-T193 PolarHBondContact O-N 2.92Å; G189-T193 PolarHBondContact O-OG1 2.87Å; C190-T193 PolarHBondContact O-N 3.29Å; M191-T193 VanDerWaalsContact C-N 3.32Å; M191-T193 PolarHBondContact O-N 2.94Å; T193-K196 WeakPolarHBondContact O-CB 3.14Å; T193-K196 PolarHBondContact O-N 3.41Å; T193-C197 PolarHBondContact O-N 2.76Å; T193-C197 PolarHBondContact O-SG 2.91Å; T193-C197 VanDerWaalsContact O-SG 3.34Å |
| 194 | Q | 50.6 | Low | 46.1 | Very low | 82 Ų | 82 | 96.5 Ų | 96.5 | 38% | 0.383 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.5 | -75.1 | 178.9 | -17.6 | 0 | 0 | 112.3 | C190 M191 K196 C197 F198 | C190-Q194 WeakPolarHBondContact O-CG 3.35Å; C190-Q194 PolarHBondContact O-N 2.87Å; M191-Q194 PolarHBondContact O-N 3.27Å; Q194-K196 VanDerWaalsContact C-N 3.33Å; Q194-K196 PolarHBondContact O-N 2.98Å; Q194-C197 WeakPolarHBondContact O-CB 3.3Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-C197 VanDerWaalsContact O-N 3.1Å; Q194-F198 WeakPolarHBondContact O-CD2 3.5Å; Q194-F198 PolarHBondContact O-N 3.01Å |
| 195 | L | 44.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 98.1 Ų | 98.1 | 62% | 0.623 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 173 | -91.2 | 149.3 | 0 | 0 | 0 | 111.6 | M191 C197 F198 A199 | M191-L195 WeakPolarHBondContact O-CB 3.35Å; M191-L195 PolarHBondContact O-N 2.96Å; L195-C197 VanDerWaalsContact C-N 3.26Å; L195-C197 PolarHBondContact O-N 3.28Å; L195-F198 PolarHBondContact O-N 3.11Å; L195-A199 PolarHBondContact O-N 3.44Å |
| 196 | K | 43.9 | Very low | 45.9 | Very low | 142 Ų | 142 | 92.7 Ų | 92.7 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -30.8 | 173.8 | -77.4 | 176.7 | 179 | -178.4 | 0 | 113.2 | L192 T193 Q194 F198 A199 | L192-K196 WeakPolarHBondContact O-CB 3.42Å; L192-K196 WeakPolarHBondContact O-CG 3.21Å; L192-K196 PolarHBondContact O-N 2.92Å; T193-K196 WeakPolarHBondContact O-CB 3.14Å; T193-K196 PolarHBondContact O-N 3.41Å; Q194-K196 VanDerWaalsContact C-N 3.33Å; Q194-K196 PolarHBondContact O-N 2.98Å; K196-F198 VanDerWaalsContact C-N 3.3Å; K196-A199 PolarHBondContact O-N 3.49Å |
| 197 | C | 45.7 | Very low | 45.6 | Very low | 68 Ų | 68 | 88.6 Ų | 88.6 | 46% | 0.459 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.2 | -13.1 | 174.2 | -66.8 | 0 | 0 | 0 | 0 | 114.1 | T193 Q194 L195 | T193-C197 PolarHBondContact O-N 2.76Å; T193-C197 PolarHBondContact O-SG 2.91Å; T193-C197 VanDerWaalsContact O-SG 3.34Å; Q194-C197 WeakPolarHBondContact O-CB 3.3Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-C197 VanDerWaalsContact O-N 3.1Å; L195-C197 VanDerWaalsContact C-N 3.26Å; L195-C197 PolarHBondContact O-N 3.28Å |
| 198 | F | 42.8 | Very low | 45.5 | Very low | 142 Ų | 142 | 89.5 Ų | 89.5 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.7 | -19.6 | 171.2 | -76.6 | -74.2 | 0 | 0 | 0 | 112.8 | Q194 L195 K196 | Q194-F198 WeakPolarHBondContact O-CD2 3.5Å; Q194-F198 PolarHBondContact O-N 3.01Å; L195-F198 PolarHBondContact O-N 3.11Å; K196-F198 VanDerWaalsContact C-N 3.3Å |
| 199 | A | 38.1 | Very low | 45.5 | Very low | 68 Ų | 68 | 92.2 Ų | 92.2 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | trans | -102.5 | 17.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L195 K196 | L195-A199 PolarHBondContact O-N 3.44Å; K196-A199 PolarHBondContact O-N 3.49Å | ||
| 200 | A | 32.8 | Very low | 44.8 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 100% | 1.132 | 57% | 0.567 | S | S | * | * | trans | -142.2 | 0 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 200 of 200 residues in 92.4 ms
(Link to these results)