| 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 | 45.4 | Very low | 62.2 | Low | 215 Ų | 215 | 106.5 Ų | 106.5 | 100% | 1.059 | 60% | 0.602 | S | S | * | * | 0 | -47.6 | 0 | -76.5 | 177.5 | -157.1 | 0 | 0 | 112.6 | G3 A4 | M1-G3 PolarHBondContact O-N 2.97Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.34Å; M1-A4 VanDerWaalsContact O-N 3.13Å | |||
| 2 | L | 48.6 | Very low | 64.5 | Low | 74 Ų | 74 | 101.2 Ų | 101.2 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -59.5 | -42.2 | -174.5 | -65.9 | 162 | 0 | 0 | 0 | 114.8 | A4 M5 L6 L18 | L2-A4 PolarHBondContact O-N 3.31Å; L2-M5 PolarHBondContact O-N 2.9Å; L2-L6 WeakPolarHBondContact O-CD1 3.38Å; L2-L18 HydrophobicContact CB-CD1 4.21Å; L2-L18 HydrophobicContact CD2-CD1 3.28Å; L2-L18 HydrophobicContact CG-CD1 4.25Å |
| 3 | G | 53 | Low | 66.6 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 76% | 0.763 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -67.9 | -16.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 | M1-G3 PolarHBondContact O-N 2.97Š|
| 4 | A | 50.5 | Low | 68.3 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 76% | 0.76 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -83.4 | -13.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 L2 | M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.34Å; M1-A4 VanDerWaalsContact O-N 3.13Å; L2-A4 PolarHBondContact O-N 3.31Å |
| 5 | M | 54.4 | Low | 70 | Confident | 161 Ų | 161 | 90.8 Ų | 90.8 | 79% | 0.793 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -95.2 | 0.9 | -173.3 | -63.6 | -170.6 | 87 | 0 | 0 | 114.4 | L2 | L2-M5 PolarHBondContact O-N 2.9Š|
| 6 | L | 57.5 | Low | 71.4 | Confident | 44 Ų | 44 | 90.3 Ų | 90.3 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | trans | -130.4 | 90.9 | -162.2 | -50.8 | 148.9 | 0 | 0 | 0 | 112 | L2 T10 W15 L18 | L2-L6 WeakPolarHBondContact O-CD1 3.38Å; L6-T10 VanDerWaalsContact CA-OG1 3.23Å; L6-T10 WeakPolarHBondContact CA-OG1 3.47Å; L6-T10 HydrophobicContact CD2-CG2 3.38Å; L6-W15 HydrophobicContact CB-CH2 3.53Å; L6-W15 HydrophobicContact CB-CZ2 3.92Å; L6-W15 HydrophobicContact CB-CZ3 4.16Å; L6-W15 HydrophobicContact CD1-CE3 4.45Å; L6-W15 HydrophobicContact CD1-CH2 3.91Å; L6-W15 HydrophobicContact CD1-CZ3 3.69Å; L6-W15 HydrophobicContact CD2-CE3 4.4Å; L6-W15 HydrophobicContact CD2-CH2 4.31Å; L6-W15 HydrophobicContact CD2-CZ3 4.26Å; L6-W15 HydrophobicContact CG-CH2 4.11Å; L6-W15 HydrophobicContact CG-CZ3 4.24Å; L6-L18 HydrophobicContact CD1-CD1 4.39Å; L6-L18 HydrophobicContact CD1-CD2 3.06Å; L6-L18 HydrophobicContact CD1-CG 4.32Å; L6-L18 HydrophobicContact CD2-CD2 3.93Å; L6-L18 HydrophobicContact CG-CD2 4.08Å | ||
| 7 | N | 66.5 | Low | 72.6 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | trans | -87.1 | -177.1 | 168.3 | 69.3 | 8.2 | 0 | 0 | 0 | 110.1 | Q9 T10 | N7-Q9 PolarHBondContact ND2-OE1 3.44Å; N7-Q9 VanDerWaalsContact ND2-OE1 3.13Å; N7-Q9 PolarHBondContact O-N 2.98Å; N7-Q9 WeakPolarHBondContact OD1-CA 3.48Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.28Å; N7-Q9 PolarHBondContact OD1-N 3.24Å; N7-T10 PolarHBondContact N-OG1 3.1Å; N7-T10 PolarHBondContact O-N 3.09Å; N7-T10 PolarHBondContact O-OG1 3.48Å; N7-T10 PolarHBondContact OD1-N 3.18Å | ||
| 8 | N | 63.7 | Low | 73.7 | Confident | 157 Ų | 157 | 87.4 Ų | 87.4 | 84% | 0.84 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -5.6 | 175.9 | -70.4 | -20.2 | 0 | 0 | 0 | 114.6 | ||
| 9 | Q | 72.7 | Confident | 74.7 | Confident | 167 Ų | 167 | 82.8 Ų | 82.8 | 78% | 0.78 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -2.1 | 178.7 | -54.2 | 173.8 | -33 | 0 | 0 | 112.9 | N7 D11 | N7-Q9 PolarHBondContact ND2-OE1 3.44Å; N7-Q9 VanDerWaalsContact ND2-OE1 3.13Å; N7-Q9 PolarHBondContact O-N 2.98Å; N7-Q9 WeakPolarHBondContact OD1-CA 3.48Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.28Å; N7-Q9 PolarHBondContact OD1-N 3.24Å; Q9-D11 PolarHBondContact O-N 3.43Å |
| 10 | T | 82.7 | Confident | 75.6 | Confident | 14 Ų | 14 | 81.2 Ų | 81.2 | 9% | 0.086 | 45% | 0.453 | C | S | . | . | trans | -60.6 | 123 | 175.9 | -52.2 | 0 | 0 | 0 | 0 | 109.6 | L6 N7 W15 L41 | L6-T10 VanDerWaalsContact CA-OG1 3.23Å; L6-T10 WeakPolarHBondContact CA-OG1 3.47Å; L6-T10 HydrophobicContact CD2-CG2 3.38Å; N7-T10 PolarHBondContact N-OG1 3.1Å; N7-T10 PolarHBondContact O-N 3.09Å; N7-T10 PolarHBondContact O-OG1 3.48Å; N7-T10 PolarHBondContact OD1-N 3.18Å; T10-W15 VanDerWaalsContact CB-NE1 3.31Å; T10-W15 HydrophobicContact CG2-CD2 3.91Å; T10-W15 HydrophobicContact CG2-CG 3.9Å; T10-W15 HydrophobicContact CG2-CZ2 4.16Å; T10-W15 PolarHBondContact O-NE1 3.47Å; T10-L41 WeakPolarHBondContact O-CD1 3.34Å | ||
| 11 | D | 89.2 | Confident | 76.5 | Confident | 85 Ų | 85 | 81.3 Ų | 81.3 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | trans | -77.7 | 170.8 | -178.9 | 73 | 4.7 | 0 | 0 | 0 | 112.9 | Q9 T13 S14 W15 | Q9-D11 PolarHBondContact O-N 3.43Å; D11-T13 VanDerWaalsContact C-N 3.3Å; D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 PolarHBondContact OD1-N 2.99Å; D11-S14 PolarHBondContact O-N 2.79Å; D11-S14 WeakPolarHBondContact OD1-CB 3.44Å; D11-S14 PolarHBondContact OD1-N 3.5Å; D11-S14 PolarHBondContact OD1-OG 2.93Å; D11-W15 PolarHBondContact O-N 3.21Å; D11-W15 VanDerWaalsContact O-N 3.16Å | ||
| 12 | L | 90.1 | Very high | 78.8 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | -177.6 | 177.9 | 64.2 | 0 | 0 | 0 | 112.1 | W15 K16 A38 L41 D42 L48 | L12-W15 PolarHBondContact O-N 2.94Å; L12-K16 HydrophobicContact CD1-CD 4.38Å; L12-K16 HydrophobicContact CG-CD 4.21Å; L12-K16 WeakPolarHBondContact O-CG 3.42Å; L12-K16 PolarHBondContact O-N 2.95Å; L12-K16 VanDerWaalsContact O-N 3.1Å; L12-A38 HydrophobicContact CD1-CB 3.68Å; L12-A38 WeakPolarHBondContact CD1-O 3.49Å; L12-L41 HydrophobicContact CB-CD1 4.36Å; L12-L41 HydrophobicContact CD1-CB 4.41Å; L12-D42 HydrophobicContact CD1-CB 4.13Å; L12-D42 HydrophobicContact CD2-CB 3.73Å; L12-L48 HydrophobicContact CD1-CD1 3.97Å |
| 13 | T | 91.5 | Very high | 81 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | -178.1 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | D11 W15 K16 E17 | D11-T13 VanDerWaalsContact C-N 3.3Å; D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 PolarHBondContact OD1-N 2.99Å; T13-W15 VanDerWaalsContact C-N 3.34Å; T13-W15 PolarHBondContact O-N 3.3Å; T13-K16 WeakPolarHBondContact O-CB 3.41Å; T13-K16 PolarHBondContact O-N 2.98Å; T13-K16 VanDerWaalsContact O-N 3.08Å; T13-E17 HydrophobicContact CG2-CG 4.5Å; T13-E17 WeakPolarHBondContact O-CG 3.41Å; T13-E17 PolarHBondContact O-N 3.28Å |
| 14 | S | 90.7 | Very high | 83 | Confident | 46 Ų | 46 | 74 Ų | 74 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | D11 K16 E17 L18 | D11-S14 PolarHBondContact O-N 2.79Å; D11-S14 WeakPolarHBondContact OD1-CB 3.44Å; D11-S14 PolarHBondContact OD1-N 3.5Å; D11-S14 PolarHBondContact OD1-OG 2.93Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.49Å; S14-E17 PolarHBondContact O-N 2.88Å; S14-L18 VanDerWaalsContact O-CB 3.26Å; S14-L18 WeakPolarHBondContact O-CB 3.39Å; S14-L18 PolarHBondContact O-N 2.93Å |
| 15 | W | 93 | Very high | 85.1 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 174.6 | -78.4 | 114.4 | 0 | 0 | 0 | 112.7 | L6 T10 D11 L12 T13 L18 A19 C34 R37 A38 L41 | L6-W15 HydrophobicContact CB-CH2 3.53Å; L6-W15 HydrophobicContact CB-CZ2 3.92Å; L6-W15 HydrophobicContact CB-CZ3 4.16Å; L6-W15 HydrophobicContact CD1-CE3 4.45Å; L6-W15 HydrophobicContact CD1-CH2 3.91Å; L6-W15 HydrophobicContact CD1-CZ3 3.69Å; L6-W15 HydrophobicContact CD2-CE3 4.4Å; L6-W15 HydrophobicContact CD2-CH2 4.31Å; L6-W15 HydrophobicContact CD2-CZ3 4.26Å; L6-W15 HydrophobicContact CG-CH2 4.11Å; L6-W15 HydrophobicContact CG-CZ3 4.24Å; T10-W15 VanDerWaalsContact CB-NE1 3.31Å; T10-W15 HydrophobicContact CG2-CD2 3.91Å; T10-W15 HydrophobicContact CG2-CG 3.9Å; T10-W15 HydrophobicContact CG2-CZ2 4.16Å; T10-W15 PolarHBondContact O-NE1 3.47Å; D11-W15 PolarHBondContact O-N 3.21Å; D11-W15 VanDerWaalsContact O-N 3.16Å; L12-W15 PolarHBondContact O-N 2.94Å; T13-W15 VanDerWaalsContact C-N 3.34Å; T13-W15 PolarHBondContact O-N 3.3Å; W15-L18 HydrophobicContact CE3-CD2 3.96Å; W15-L18 HydrophobicContact CZ3-CD2 3.95Å; W15-A19 VanDerWaalsContact O-CB 3.28Å; W15-A19 WeakPolarHBondContact O-CB 3.4Å; W15-A19 PolarHBondContact O-N 3.49Å; W15-C34 HydrophobicContact CE3-CB 4.11Å; W15-R37 HydrophobicContact CD2-CB 3.6Å; W15-R37 HydrophobicContact CD2-CG 4.37Å; W15-R37 HydrophobicContact CE3-CB 3.8Å; W15-R37 HydrophobicContact CE3-CG 4.23Å; W15-R37 HydrophobicContact CG-CB 4.12Å; W15-R37 HydrophobicContact CH2-CB 4.22Å; W15-R37 HydrophobicContact CH2-CG 3.93Å; W15-R37 HydrophobicContact CZ2-CB 4.04Å; W15-R37 HydrophobicContact CZ2-CG 4.07Å; W15-R37 HydrophobicContact CZ3-CB 4.1Å; W15-R37 HydrophobicContact CZ3-CG 4Å; W15-A38 HydrophobicContact CB-CB 4.05Å; W15-L41 VanDerWaalsContact CD1-CD1 3.49Å |
| 16 | K | 93.2 | Very high | 87 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 178.1 | -72 | 173.8 | 67.5 | -179.2 | 0 | 111.9 | L12 T13 S14 L18 A19 S20 Y35 A38 L48 | L12-K16 HydrophobicContact CD1-CD 4.38Å; L12-K16 HydrophobicContact CG-CD 4.21Å; L12-K16 WeakPolarHBondContact O-CG 3.42Å; L12-K16 PolarHBondContact O-N 2.95Å; L12-K16 VanDerWaalsContact O-N 3.1Å; T13-K16 WeakPolarHBondContact O-CB 3.41Å; T13-K16 PolarHBondContact O-N 2.98Å; T13-K16 VanDerWaalsContact O-N 3.08Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.49Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 3.05Å; K16-A19 WeakPolarHBondContact O-CB 3.47Å; K16-A19 PolarHBondContact O-N 3.44Å; K16-S20 PolarHBondContact O-N 3.02Å; K16-Y35 HydrophobicContact CG-CE1 4.48Å; K16-A38 HydrophobicContact CG-CB 4.41Å; K16-L48 HydrophobicContact CD-CD2 4.03Å; K16-L48 HydrophobicContact CG-CD2 4.03Å |
| 17 | E | 91.9 | Very high | 88.8 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 177.2 | -72.9 | 176.9 | 179 | 0 | 0 | 111 | T13 S14 A19 S20 M21 | T13-E17 HydrophobicContact CG2-CG 4.5Å; T13-E17 WeakPolarHBondContact O-CG 3.41Å; T13-E17 PolarHBondContact O-N 3.28Å; S14-E17 PolarHBondContact O-N 2.88Å; E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 2.87Å; E17-S20 WeakPolarHBondContact O-CB 3.41Å; E17-S20 PolarHBondContact O-N 3.49Å; E17-M21 HydrophobicContact CB-CE 4.32Å; E17-M21 WeakPolarHBondContact O-CG 3.33Å; E17-M21 PolarHBondContact O-N 3.19Å |
| 18 | L | 91.3 | Very high | 90.2 | Very high | 16 Ų | 16 | 72 Ų | 72 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 174.3 | -176.1 | 76.9 | 0 | 0 | 0 | 112.8 | L2 L6 S14 W15 K16 S20 M21 A22 C34 | L2-L18 HydrophobicContact CB-CD1 4.21Å; L2-L18 HydrophobicContact CD2-CD1 3.28Å; L2-L18 HydrophobicContact CG-CD1 4.25Å; L6-L18 HydrophobicContact CD1-CD1 4.39Å; L6-L18 HydrophobicContact CD1-CD2 3.06Å; L6-L18 HydrophobicContact CD1-CG 4.32Å; L6-L18 HydrophobicContact CD2-CD2 3.93Å; L6-L18 HydrophobicContact CG-CD2 4.08Å; S14-L18 VanDerWaalsContact O-CB 3.26Å; S14-L18 WeakPolarHBondContact O-CB 3.39Å; S14-L18 PolarHBondContact O-N 2.93Å; W15-L18 HydrophobicContact CE3-CD2 3.96Å; W15-L18 HydrophobicContact CZ3-CD2 3.95Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 3.05Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-M21 PolarHBondContact O-N 3.33Å; L18-A22 WeakPolarHBondContact O-CB 3.48Å; L18-A22 PolarHBondContact O-N 3.37Å; L18-C34 HydrophobicContact CD2-CB 4.31Å; L18-C34 WeakPolarHBondContact CD2-SG 3.32Å |
| 19 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W15 K16 E17 A22 V23 A31 C34 Y35 | W15-A19 VanDerWaalsContact O-CB 3.28Å; W15-A19 WeakPolarHBondContact O-CB 3.4Å; W15-A19 PolarHBondContact O-N 3.49Å; K16-A19 WeakPolarHBondContact O-CB 3.47Å; K16-A19 PolarHBondContact O-N 3.44Å; E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 2.87Å; A19-A22 PolarHBondContact O-N 3.1Å; A19-V23 WeakPolarHBondContact O-CG2 3.49Å; A19-V23 PolarHBondContact O-N 3.27Å; A19-A31 WeakPolarHBondContact O-CB 3.46Å; A19-C34 HydrophobicContact CB-CB 3.51Å; A19-Y35 HydrophobicContact CB-CD1 4.04Å; A19-Y35 HydrophobicContact CB-CD2 3.5Å; A19-Y35 VanDerWaalsContact CB-CD2 3.5Å; A19-Y35 HydrophobicContact CB-CE1 3.86Å; A19-Y35 HydrophobicContact CB-CE2 3.29Å; A19-Y35 HydrophobicContact CB-CG 3.86Å; A19-Y35 VanDerWaalsContact CB-CZ 3.48Å |
| 20 | S | 93.2 | Very high | 92.6 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 175.6 | -163.7 | 0 | 0 | 0 | 0 | 111.6 | K16 E17 L18 A22 V23 E24 | K16-S20 PolarHBondContact O-N 3.02Å; E17-S20 WeakPolarHBondContact O-CB 3.41Å; E17-S20 PolarHBondContact O-N 3.49Å; L18-S20 VanDerWaalsContact C-N 3.32Å; S20-A22 VanDerWaalsContact C-N 3.27Å; S20-A22 PolarHBondContact O-N 3.32Å; S20-V23 WeakPolarHBondContact O-CA 3.33Å; S20-V23 WeakPolarHBondContact O-CB 3.49Å; S20-V23 PolarHBondContact O-N 2.87Å; S20-E24 PolarHBondContact O-N 3.08Å |
| 21 | M | 94.2 | Very high | 93.2 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 175.1 | -73.1 | -175 | -90.8 | 0 | 0 | 111.7 | E17 L18 V23 E24 L25 | E17-M21 HydrophobicContact CB-CE 4.32Å; E17-M21 WeakPolarHBondContact O-CG 3.33Å; E17-M21 PolarHBondContact O-N 3.19Å; L18-M21 PolarHBondContact O-N 3.33Å; M21-V23 VanDerWaalsContact C-N 3.32Å; M21-V23 PolarHBondContact O-N 2.88Å; M21-E24 PolarHBondContact O-N 2.59Å; M21-L25 WeakPolarHBondContact O-CB 3.47Å; M21-L25 VanDerWaalsContact O-CG 3.28Å; M21-L25 WeakPolarHBondContact O-CG 3.45Å; M21-L25 PolarHBondContact O-N 2.97Å |
| 22 | A | 93.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -31.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L18 A19 S20 N26 Q27 H30 A31 | L18-A22 WeakPolarHBondContact O-CB 3.48Å; L18-A22 PolarHBondContact O-N 3.37Å; A19-A22 PolarHBondContact O-N 3.1Å; S20-A22 VanDerWaalsContact C-N 3.27Å; S20-A22 PolarHBondContact O-N 3.32Å; A22-N26 PolarHBondContact O-N 2.8Å; A22-Q27 HydrophobicContact CB-CB 4.45Å; A22-Q27 CarbonylContact O-C 3.45Å; A22-Q27 WeakPolarHBondContact O-CA 3.5Å; A22-Q27 WeakPolarHBondContact O-CB 3.42Å; A22-Q27 PolarHBondContact O-N 3.42Å; A22-H30 HydrophobicContact CB-CB 4.2Å; A22-A31 HydrophobicContact CB-CB 3.82Å |
| 23 | V | 94.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 171.8 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | A19 S20 M21 L25 N26 L28 A31 L55 | A19-V23 WeakPolarHBondContact O-CG2 3.49Å; A19-V23 PolarHBondContact O-N 3.27Å; S20-V23 WeakPolarHBondContact O-CA 3.33Å; S20-V23 WeakPolarHBondContact O-CB 3.49Å; S20-V23 PolarHBondContact O-N 2.87Å; M21-V23 VanDerWaalsContact C-N 3.32Å; M21-V23 PolarHBondContact O-N 2.88Å; V23-L25 VanDerWaalsContact C-N 3.26Å; V23-L25 PolarHBondContact O-N 3.39Å; V23-N26 WeakPolarHBondContact O-CA 3.45Å; V23-N26 PolarHBondContact O-N 2.92Å; V23-L28 HydrophobicContact CG1-CD2 4.5Å; V23-A31 HydrophobicContact CG2-CB 3.5Å; V23-L55 HydrophobicContact CG2-CD2 3.9Å |
| 24 | E | 94.9 | Very high | 93.7 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.3 | -36.7 | 178.7 | -70.4 | 169.6 | -164.9 | 0 | 0 | 112.1 | S20 M21 N26 | S20-E24 PolarHBondContact O-N 3.08Å; M21-E24 PolarHBondContact O-N 2.59Å; E24-N26 PolarHBondContact O-N 3.2Å |
| 25 | L | 95.2 | Very high | 94 | Very high | 107 Ų | 107 | 63.4 Ų | 63.4 | 56% | 0.56 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 7.7 | 174.1 | -64.1 | 174.2 | 0 | 0 | 0 | 113.6 | M21 V23 Q27 | M21-L25 WeakPolarHBondContact O-CB 3.47Å; M21-L25 VanDerWaalsContact O-CG 3.28Å; M21-L25 WeakPolarHBondContact O-CG 3.45Å; M21-L25 PolarHBondContact O-N 2.97Å; V23-L25 VanDerWaalsContact C-N 3.26Å; V23-L25 PolarHBondContact O-N 3.39Å; L25-Q27 HydrophobicContact CB-CG 4.05Å; L25-Q27 PolarHBondContact O-N 2.87Å; L25-Q27 VanDerWaalsContact O-N 3.09Å |
| 26 | N | 94.2 | Very high | 94 | Very high | 126 Ų | 126 | 67 Ų | 67 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 24.2 | -174.5 | -164.5 | 29.8 | 0 | 0 | 0 | 113.8 | A22 V23 E24 L28 | A22-N26 PolarHBondContact O-N 2.8Å; V23-N26 WeakPolarHBondContact O-CA 3.45Å; V23-N26 PolarHBondContact O-N 2.92Å; E24-N26 PolarHBondContact O-N 3.2Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å |
| 27 | Q | 95 | Very high | 94 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | trans | -90.9 | 57.1 | 177.1 | -63.6 | -170.6 | -1.5 | 0 | 0 | 110.5 | A22 L25 R29 H30 A31 | A22-Q27 HydrophobicContact CB-CB 4.45Å; A22-Q27 CarbonylContact O-C 3.45Å; A22-Q27 WeakPolarHBondContact O-CA 3.5Å; A22-Q27 WeakPolarHBondContact O-CB 3.42Å; A22-Q27 PolarHBondContact O-N 3.42Å; L25-Q27 HydrophobicContact CB-CG 4.05Å; L25-Q27 PolarHBondContact O-N 2.87Å; L25-Q27 VanDerWaalsContact O-N 3.09Å; Q27-R29 PolarHBondContact O-N 3.23Å; Q27-H30 HydrophobicContact CB-CB 4.19Å; Q27-H30 WeakPolarHBondContact O-CA 3.35Å; Q27-H30 WeakPolarHBondContact O-CB 3.49Å; Q27-H30 PolarHBondContact O-N 3.49Å; Q27-H30 PolarHBondContact OE1-ND1 3.45Å; Q27-A31 PolarHBondContact O-N 3.1Å | ||
| 28 | L | 95.7 | Very high | 94 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.9 | -32.6 | -169.6 | -56.3 | -176.3 | 0 | 0 | 0 | 114.3 | V23 N26 A31 L32 L55 L59 | V23-L28 HydrophobicContact CG1-CD2 4.5Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å; L28-A31 PolarHBondContact O-N 3.02Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.43Å; L28-L55 HydrophobicContact CD2-CD2 3.99Å; L28-L59 HydrophobicContact CB-CD1 4.34Å; L28-L59 HydrophobicContact CB-CD2 3.96Å; L28-L59 HydrophobicContact CB-CG 4.17Å; L28-L59 HydrophobicContact CD1-CD2 4.16Å; L28-L59 HydrophobicContact CD1-CG 4.39Å |
| 29 | R | 93.7 | Very high | 94.2 | Very high | 174 Ų | 174 | 62.4 Ų | 62.4 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.2 | -39 | 175.6 | -66.4 | -176.3 | -176.6 | -170.2 | 3 | 112.3 | Q27 M33 L59 | Q27-R29 PolarHBondContact O-N 3.23Å; R29-M33 PolarHBondContact O-N 3.11Å; R29-L59 HydrophobicContact CG-CD1 4.29Å; R29-L59 HydrophobicContact CG-CD2 4.42Å |
| 30 | H | 92.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 175.7 | -64.8 | 107 | 0 | 0 | 0 | 110.4 | A22 Q27 L32 M33 C34 | A22-H30 HydrophobicContact CB-CB 4.2Å; Q27-H30 HydrophobicContact CB-CB 4.19Å; Q27-H30 WeakPolarHBondContact O-CA 3.35Å; Q27-H30 WeakPolarHBondContact O-CB 3.49Å; Q27-H30 PolarHBondContact O-N 3.49Å; Q27-H30 PolarHBondContact OE1-ND1 3.45Å; H30-L32 VanDerWaalsContact C-N 3.29Å; H30-L32 PolarHBondContact O-N 3.3Å; H30-M33 WeakPolarHBondContact O-CB 3.35Å; H30-M33 PolarHBondContact O-N 3.32Å; H30-M33 VanDerWaalsContact O-N 3.17Å; H30-C34 PolarHBondContact O-N 3.22Å; H30-C34 PolarHBondContact O-SG 3.43Å |
| 31 | A | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A19 A22 V23 Q27 L28 M33 C34 Y35 L55 | A19-A31 WeakPolarHBondContact O-CB 3.46Å; A22-A31 HydrophobicContact CB-CB 3.82Å; V23-A31 HydrophobicContact CG2-CB 3.5Å; Q27-A31 PolarHBondContact O-N 3.1Å; L28-A31 PolarHBondContact O-N 3.02Å; A31-M33 PolarHBondContact O-N 3.13Å; A31-C34 WeakPolarHBondContact O-CB 3.26Å; A31-C34 PolarHBondContact O-N 3.36Å; A31-C34 VanDerWaalsContact O-N 3.15Å; A31-Y35 VanDerWaalsContact O-CD2 3.29Å; A31-Y35 WeakPolarHBondContact O-CD2 3.49Å; A31-Y35 PolarHBondContact O-N 3.15Å; A31-L55 HydrophobicContact CB-CD1 4.09Å; A31-L55 HydrophobicContact CB-CD2 4.48Å |
| 32 | L | 95.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 177.4 | -176.1 | 66.3 | 0 | 0 | 0 | 111.9 | L28 H30 C34 Y35 E36 I52 L55 N56 | L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.43Å; H30-L32 VanDerWaalsContact C-N 3.29Å; H30-L32 PolarHBondContact O-N 3.3Å; L32-C34 VanDerWaalsContact C-N 3.27Å; L32-C34 PolarHBondContact O-N 2.95Å; L32-Y35 PolarHBondContact O-N 3.12Å; L32-E36 WeakPolarHBondContact O-CB 3.35Å; L32-E36 WeakPolarHBondContact O-CG 3.5Å; L32-E36 PolarHBondContact O-N 3.21Å; L32-I52 HydrophobicContact CD1-CB 4.33Å; L32-I52 HydrophobicContact CD1-CG1 4.2Å; L32-I52 HydrophobicContact CD1-CG2 3.94Å; L32-L55 HydrophobicContact CB-CD1 4.48Å; L32-L55 HydrophobicContact CD1-CB 4.25Å; L32-N56 WeakPolarHBondContact CD1-ND2 3.48Å |
| 33 | M | 92.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 75 Ų | 75 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 177 | -175.9 | -180 | 68.4 | 0 | 0 | 112.2 | R29 H30 A31 E36 R37 | R29-M33 PolarHBondContact O-N 3.11Å; H30-M33 WeakPolarHBondContact O-CB 3.35Å; H30-M33 PolarHBondContact O-N 3.32Å; H30-M33 VanDerWaalsContact O-N 3.17Å; A31-M33 PolarHBondContact O-N 3.13Å; M33-E36 PolarHBondContact O-N 3.16Å; M33-R37 WeakPolarHBondContact O-CG 3.44Å; M33-R37 PolarHBondContact O-N 3.03Å; M33-R37 VanDerWaalsContact O-N 3.14Å |
| 34 | C | 93.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.034 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | W15 L18 A19 H30 A31 L32 E36 R37 A38 | W15-C34 HydrophobicContact CE3-CB 4.11Å; L18-C34 HydrophobicContact CD2-CB 4.31Å; L18-C34 WeakPolarHBondContact CD2-SG 3.32Å; A19-C34 HydrophobicContact CB-CB 3.51Å; H30-C34 PolarHBondContact O-N 3.22Å; H30-C34 PolarHBondContact O-SG 3.43Å; A31-C34 WeakPolarHBondContact O-CB 3.26Å; A31-C34 PolarHBondContact O-N 3.36Å; A31-C34 VanDerWaalsContact O-N 3.15Å; L32-C34 VanDerWaalsContact C-N 3.27Å; L32-C34 PolarHBondContact O-N 2.95Å; C34-E36 PolarHBondContact O-N 3.28Å; C34-R37 WeakPolarHBondContact O-CB 3.29Å; C34-R37 PolarHBondContact O-N 3.35Å; C34-R37 VanDerWaalsContact O-N 3.14Å; C34-A38 PolarHBondContact O-N 3.33Å |
| 35 | Y | 95.7 | Very high | 93.8 | Very high | 26 Ų | 26 | 71 Ų | 71 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66 | -35.7 | 174.6 | -77.8 | -62.4 | 0 | 0 | 0 | 113 | K16 A19 A31 L32 R37 A38 V39 L48 T51 L55 | K16-Y35 HydrophobicContact CG-CE1 4.48Å; A19-Y35 HydrophobicContact CB-CD1 4.04Å; A19-Y35 HydrophobicContact CB-CD2 3.5Å; A19-Y35 VanDerWaalsContact CB-CD2 3.5Å; A19-Y35 HydrophobicContact CB-CE1 3.86Å; A19-Y35 HydrophobicContact CB-CE2 3.29Å; A19-Y35 HydrophobicContact CB-CG 3.86Å; A19-Y35 VanDerWaalsContact CB-CZ 3.48Å; A31-Y35 VanDerWaalsContact O-CD2 3.29Å; A31-Y35 WeakPolarHBondContact O-CD2 3.49Å; A31-Y35 PolarHBondContact O-N 3.15Å; L32-Y35 PolarHBondContact O-N 3.12Å; Y35-R37 PolarHBondContact O-N 3.33Å; Y35-A38 WeakPolarHBondContact O-CB 3.38Å; Y35-A38 PolarHBondContact O-N 3.37Å; Y35-V39 WeakPolarHBondContact O-CG2 3.45Å; Y35-V39 PolarHBondContact O-N 2.87Å; Y35-L48 HydrophobicContact CD1-CD2 4.11Å; Y35-L48 HydrophobicContact CE1-CD2 4.37Å; Y35-T51 HydrophobicContact CD1-CG2 4.32Å; Y35-T51 HydrophobicContact CD2-CG2 3.72Å; Y35-T51 HydrophobicContact CE1-CG2 3.99Å; Y35-T51 HydrophobicContact CE2-CG2 3.32Å; Y35-T51 HydrophobicContact CG-CG2 4.21Å; Y35-T51 VanDerWaalsContact CZ-CG2 3.48Å; Y35-L55 HydrophobicContact CD2-CD1 3.48Å; Y35-L55 VanDerWaalsContact CD2-CD1 3.48Å; Y35-L55 HydrophobicContact CE2-CD1 3.89Å |
| 36 | E | 93.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -30.3 | 172.8 | -75.7 | 177.4 | 174.9 | 0 | 0 | 112.3 | L32 M33 C34 K40 I52 | L32-E36 WeakPolarHBondContact O-CB 3.35Å; L32-E36 WeakPolarHBondContact O-CG 3.5Å; L32-E36 PolarHBondContact O-N 3.21Å; M33-E36 PolarHBondContact O-N 3.16Å; C34-E36 PolarHBondContact O-N 3.28Å; E36-K40 WeakPolarHBondContact O-CG 3.41Å; E36-I52 HydrophobicContact CG-CD1 4.28Å |
| 37 | R | 92.5 | Very high | 93.7 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 42% | 0.415 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.6 | -43 | 170.9 | -68.6 | -74.2 | -178.5 | 156.5 | 3.8 | 111.5 | W15 M33 C34 Y35 V39 K40 L41 | W15-R37 HydrophobicContact CD2-CB 3.6Å; W15-R37 HydrophobicContact CD2-CG 4.37Å; W15-R37 HydrophobicContact CE3-CB 3.8Å; W15-R37 HydrophobicContact CE3-CG 4.23Å; W15-R37 HydrophobicContact CG-CB 4.12Å; W15-R37 HydrophobicContact CH2-CB 4.22Å; W15-R37 HydrophobicContact CH2-CG 3.93Å; W15-R37 HydrophobicContact CZ2-CB 4.04Å; W15-R37 HydrophobicContact CZ2-CG 4.07Å; W15-R37 HydrophobicContact CZ3-CB 4.1Å; W15-R37 HydrophobicContact CZ3-CG 4Å; M33-R37 WeakPolarHBondContact O-CG 3.44Å; M33-R37 PolarHBondContact O-N 3.03Å; M33-R37 VanDerWaalsContact O-N 3.14Å; C34-R37 WeakPolarHBondContact O-CB 3.29Å; C34-R37 PolarHBondContact O-N 3.35Å; C34-R37 VanDerWaalsContact O-N 3.14Å; Y35-R37 PolarHBondContact O-N 3.33Å; R37-V39 VanDerWaalsContact C-N 3.35Å; R37-V39 PolarHBondContact O-N 3.09Å; R37-K40 WeakPolarHBondContact O-CB 3.41Å; R37-K40 PolarHBondContact O-N 3.41Å; R37-K40 VanDerWaalsContact O-N 3.08Å; R37-L41 PolarHBondContact O-N 3.05Å |
| 38 | A | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L12 W15 K16 C34 Y35 K40 L41 D42 L48 | L12-A38 HydrophobicContact CD1-CB 3.68Å; L12-A38 WeakPolarHBondContact CD1-O 3.49Å; W15-A38 HydrophobicContact CB-CB 4.05Å; K16-A38 HydrophobicContact CG-CB 4.41Å; C34-A38 PolarHBondContact O-N 3.33Å; Y35-A38 WeakPolarHBondContact O-CB 3.38Å; Y35-A38 PolarHBondContact O-N 3.37Å; A38-K40 PolarHBondContact O-N 3Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 PolarHBondContact O-N 3.21Å; A38-D42 PolarHBondContact O-N 3.33Å; A38-L48 HydrophobicContact CB-CD1 4.14Å; A38-L48 HydrophobicContact CB-CD2 4.2Å |
| 39 | V | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -30.9 | 176.6 | 166.6 | 0 | 0 | 0 | 0 | 112.6 | Y35 R37 L41 D42 R43 L48 Y49 I52 | Y35-V39 WeakPolarHBondContact O-CG2 3.45Å; Y35-V39 PolarHBondContact O-N 2.87Å; R37-V39 VanDerWaalsContact C-N 3.35Å; R37-V39 PolarHBondContact O-N 3.09Å; V39-L41 VanDerWaalsContact C-N 3.26Å; V39-L41 PolarHBondContact O-N 2.91Å; V39-D42 CarbonylContact O-C 3.59Å; V39-D42 VanDerWaalsContact O-C 3.26Å; V39-D42 PolarHBondContact O-N 2.87Å; V39-R43 WeakPolarHBondContact O-CA 3.48Å; V39-R43 WeakPolarHBondContact O-CG 3.07Å; V39-R43 PolarHBondContact O-N 3.17Å; V39-L48 HydrophobicContact CG2-CB 3.56Å; V39-L48 HydrophobicContact CG2-CD1 4.17Å; V39-Y49 HydrophobicContact CG1-CE1 3.88Å; V39-Y49 HydrophobicContact CG1-CE2 4.08Å; V39-Y49 WeakPolarHBondContact CG1-OH 3.09Å; V39-Y49 HydrophobicContact CG2-CE2 4.48Å; V39-I52 HydrophobicContact CB-CD1 4.43Å; V39-I52 HydrophobicContact CG2-CD1 3.57Å |
| 40 | K | 91.6 | Very high | 93.9 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 54% | 0.543 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -29.9 | 176.2 | -71.8 | 175.3 | -176.9 | -177.4 | 0 | 112.4 | E36 R37 A38 | E36-K40 WeakPolarHBondContact O-CG 3.41Å; R37-K40 WeakPolarHBondContact O-CB 3.41Å; R37-K40 PolarHBondContact O-N 3.41Å; R37-K40 VanDerWaalsContact O-N 3.08Å; A38-K40 PolarHBondContact O-N 3Å |
| 41 | L | 91.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.4 | -36 | 177.4 | -61.5 | 176.2 | 0 | 0 | 0 | 111.6 | T10 L12 W15 R37 A38 V39 | T10-L41 WeakPolarHBondContact O-CD1 3.34Å; L12-L41 HydrophobicContact CB-CD1 4.36Å; L12-L41 HydrophobicContact CD1-CB 4.41Å; W15-L41 VanDerWaalsContact CD1-CD1 3.49Å; R37-L41 PolarHBondContact O-N 3.05Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 PolarHBondContact O-N 3.21Å; V39-L41 VanDerWaalsContact C-N 3.26Å; V39-L41 PolarHBondContact O-N 2.91Å |
| 42 | D | 92.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -134.5 | 84.8 | 179.7 | -174.6 | 3.1 | 0 | 0 | 0 | 111 | L12 A38 V39 K44 N45 L48 | L12-D42 HydrophobicContact CD1-CB 4.13Å; L12-D42 HydrophobicContact CD2-CB 3.73Å; A38-D42 PolarHBondContact O-N 3.33Å; V39-D42 CarbonylContact O-C 3.59Å; V39-D42 VanDerWaalsContact O-C 3.26Å; V39-D42 PolarHBondContact O-N 2.87Å; D42-K44 PolarHBondContact O-N 2.88Å; D42-K44 PolarHBondContact OD1-N 3.36Å; D42-N45 HydrophobicContact CB-CB 4.29Å; D42-N45 VanDerWaalsContact CG-CB 3.42Å; D42-N45 WeakPolarHBondContact OD2-CB 3.46Å; D42-N45 PolarHBondContact OD2-ND2 3.05Å; D42-L48 HydrophobicContact CB-CD1 4.31Å | ||
| 43 | R | 94.1 | Very high | 94.3 | Very high | 139 Ų | 139 | 51.6 Ų | 51.6 | 53% | 0.525 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15 | -175.9 | -62.2 | -176.8 | -169.7 | -172.2 | 5.7 | 113.7 | V39 Y49 E75 | V39-R43 WeakPolarHBondContact O-CA 3.48Å; V39-R43 WeakPolarHBondContact O-CG 3.07Å; V39-R43 PolarHBondContact O-N 3.17Å; R43-Y49 WeakPolarHBondContact O-CE2 3.18Å; R43-Y49 PolarHBondContact O-OH 3.18Å; R43-E75 WeakPolarHBondContact CD-OE2 3.48Å |
| 44 | K | 92.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -4.1 | -176.3 | -69.4 | -171.4 | 175.5 | -162.5 | 0 | 112.8 | D42 F46 L76 L78 D81 | D42-K44 PolarHBondContact O-N 2.88Å; D42-K44 PolarHBondContact OD1-N 3.36Å; K44-F46 PolarHBondContact O-N 3.05Å; K44-L76 VanDerWaalsContact C-CD2 3.41Å; K44-L76 WeakPolarHBondContact O-CD2 3.2Å; K44-L78 PolarHBondContact NZ-O 3.33Å; K44-D81 WeakPolarHBondContact O-CB 3.45Å |
| 45 | N | 92.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | trans | -87.3 | 99.2 | -174.5 | -170.7 | -32.1 | 0 | 0 | 0 | 112.6 | D42 S47 L48 Y49 D81 | D42-N45 HydrophobicContact CB-CB 4.29Å; D42-N45 VanDerWaalsContact CG-CB 3.42Å; D42-N45 WeakPolarHBondContact OD2-CB 3.46Å; D42-N45 PolarHBondContact OD2-ND2 3.05Å; N45-S47 PolarHBondContact O-N 3.19Å; N45-S47 WeakPolarHBondContact OD1-CB 3.48Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 VanDerWaalsContact OD1-N 3.14Å; N45-S47 PolarHBondContact OD1-OG 3.38Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 4.09Å; N45-L48 PolarHBondContact O-N 2.62Å; N45-Y49 VanDerWaalsContact O-CD2 3.31Å; N45-Y49 WeakPolarHBondContact O-CD2 3.26Å; N45-D81 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 46 | F | 94.7 | Very high | 94.8 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -32.9 | -178.8 | -175.2 | -128.9 | 0 | 0 | 0 | 113.2 | K44 L48 Y49 C50 F53 L76 L82 F90 | K44-F46 PolarHBondContact O-N 3.05Å; F46-L48 VanDerWaalsContact C-N 3.27Å; F46-L48 PolarHBondContact O-N 3.16Å; F46-Y49 WeakPolarHBondContact O-CB 3.31Å; F46-Y49 PolarHBondContact O-N 3.23Å; F46-Y49 VanDerWaalsContact O-N 3.1Å; F46-C50 PolarHBondContact O-N 3.3Å; F46-C50 PolarHBondContact O-SG 3.05Å; F46-F53 HydrophobicContact CE2-CE2 4.36Å; F46-L76 HydrophobicContact CB-CD1 4.09Å; F46-L76 HydrophobicContact CB-CD2 4.48Å; F46-L76 HydrophobicContact CD2-CD1 3.32Å; F46-L76 HydrophobicContact CE2-CD1 4.09Å; F46-L76 HydrophobicContact CG-CD1 4.11Å; F46-L82 HydrophobicContact CB-CD1 4.5Å; F46-L82 HydrophobicContact CD1-CD1 3.56Å; F46-L82 HydrophobicContact CD1-CD2 4.28Å; F46-L82 HydrophobicContact CD2-CD2 4.32Å; F46-L82 HydrophobicContact CE1-CD1 3.89Å; F46-L82 HydrophobicContact CE1-CD2 4.37Å; F46-L82 HydrophobicContact CE2-CD2 4.38Å; F46-L82 HydrophobicContact CG-CD1 4.11Å; F46-L82 HydrophobicContact CG-CD2 4.22Å; F46-L82 HydrophobicContact CZ-CD2 4.39Å; F46-F90 HydrophobicContact CE2-CD1 4.07Å; F46-F90 HydrophobicContact CE2-CD2 4.29Å; F46-F90 AromaticContact CE2-CE1 3.95Å; F46-F90 HydrophobicContact CE2-CE1 3.95Å; F46-F90 HydrophobicContact CE2-CE2 4.19Å; F46-F90 HydrophobicContact CE2-CG 4.23Å; F46-F90 HydrophobicContact CE2-CZ 4.02Å; F46-F90 HydrophobicContact CZ-CD1 4.49Å; F46-F90 HydrophobicContact CZ-CD2 4.15Å; F46-F90 HydrophobicContact CZ-CE2 4.36Å; F46-F90 HydrophobicContact CZ-CG 4.22Å |
| 47 | S | 94.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 43% | 0.434 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -36.1 | -179.1 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | N45 Y49 C50 T51 | N45-S47 PolarHBondContact O-N 3.19Å; N45-S47 WeakPolarHBondContact OD1-CB 3.48Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 VanDerWaalsContact OD1-N 3.14Å; N45-S47 PolarHBondContact OD1-OG 3.38Å; S47-Y49 VanDerWaalsContact C-N 3.35Å; S47-C50 WeakPolarHBondContact O-CB 3.31Å; S47-C50 PolarHBondContact O-N 2.88Å; S47-T51 PolarHBondContact O-N 3.22Å; S47-T51 VanDerWaalsContact O-N 3.11Å; S47-T51 PolarHBondContact O-OG1 3.42Å |
| 48 | L | 95.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.6 | -62.2 | 177.4 | 0 | 0 | 0 | 111.3 | L12 K16 Y35 A38 V39 D42 N45 F46 T51 I52 | L12-L48 HydrophobicContact CD1-CD1 3.97Å; K16-L48 HydrophobicContact CD-CD2 4.03Å; K16-L48 HydrophobicContact CG-CD2 4.03Å; Y35-L48 HydrophobicContact CD1-CD2 4.11Å; Y35-L48 HydrophobicContact CE1-CD2 4.37Å; A38-L48 HydrophobicContact CB-CD1 4.14Å; A38-L48 HydrophobicContact CB-CD2 4.2Å; V39-L48 HydrophobicContact CG2-CB 3.56Å; V39-L48 HydrophobicContact CG2-CD1 4.17Å; D42-L48 HydrophobicContact CB-CD1 4.31Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 4.09Å; N45-L48 PolarHBondContact O-N 2.62Å; F46-L48 VanDerWaalsContact C-N 3.27Å; F46-L48 PolarHBondContact O-N 3.16Å; L48-T51 PolarHBondContact O-N 2.87Å; L48-I52 WeakPolarHBondContact O-CG1 3.4Å; L48-I52 PolarHBondContact O-N 2.93Å |
| 49 | Y | 96.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.2 | -70.7 | -84.3 | 0 | 0 | 0 | 111.6 | V39 R43 N45 F46 S47 T51 I52 F53 A72 E75 L76 | V39-Y49 HydrophobicContact CG1-CE1 3.88Å; V39-Y49 HydrophobicContact CG1-CE2 4.08Å; V39-Y49 WeakPolarHBondContact CG1-OH 3.09Å; V39-Y49 HydrophobicContact CG2-CE2 4.48Å; R43-Y49 WeakPolarHBondContact O-CE2 3.18Å; R43-Y49 PolarHBondContact O-OH 3.18Å; N45-Y49 VanDerWaalsContact O-CD2 3.31Å; N45-Y49 WeakPolarHBondContact O-CD2 3.26Å; F46-Y49 WeakPolarHBondContact O-CB 3.31Å; F46-Y49 PolarHBondContact O-N 3.23Å; F46-Y49 VanDerWaalsContact O-N 3.1Å; S47-Y49 VanDerWaalsContact C-N 3.35Å; Y49-T51 VanDerWaalsContact C-N 3.28Å; Y49-T51 PolarHBondContact O-N 3.43Å; Y49-I52 WeakPolarHBondContact O-CB 3.43Å; Y49-I52 PolarHBondContact O-N 3.14Å; Y49-I52 VanDerWaalsContact O-N 3.09Å; Y49-F53 HydrophobicContact CD1-CE1 4.45Å; Y49-F53 WeakPolarHBondContact O-CD1 3.47Å; Y49-F53 WeakPolarHBondContact O-CD2 3.42Å; Y49-F53 WeakPolarHBondContact O-CE1 3.4Å; Y49-F53 WeakPolarHBondContact O-CG 3.13Å; Y49-F53 PolarHBondContact O-N 3.03Å; Y49-A72 HydrophobicContact CD1-CB 3.47Å; Y49-A72 VanDerWaalsContact CD1-CB 3.47Å; Y49-A72 HydrophobicContact CD2-CB 4.38Å; Y49-A72 HydrophobicContact CE1-CB 3.94Å; Y49-A72 HydrophobicContact CG-CB 3.71Å; Y49-E75 VanDerWaalsContact OH-CB 3.28Å; Y49-E75 WeakPolarHBondContact OH-CB 3.39Å; Y49-E75 WeakPolarHBondContact OH-CG 3.42Å; Y49-L76 HydrophobicContact CD2-CD1 4.19Å; Y49-L76 HydrophobicContact CD2-CD2 4.35Å; Y49-L76 HydrophobicContact CD2-CG 4.48Å; Y49-L76 HydrophobicContact CE2-CD2 4.16Å; Y49-L76 HydrophobicContact CE2-CG 4.36Å |
| 50 | C | 96.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 26% | 0.264 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.7 | -44.9 | 174.7 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | F46 S47 F53 Q54 | F46-C50 PolarHBondContact O-N 3.3Å; F46-C50 PolarHBondContact O-SG 3.05Å; S47-C50 WeakPolarHBondContact O-CB 3.31Å; S47-C50 PolarHBondContact O-N 2.88Å; C50-F53 WeakPolarHBondContact O-CB 3.23Å; C50-F53 PolarHBondContact O-N 3.42Å; C50-Q54 WeakPolarHBondContact O-CG 3.49Å; C50-Q54 PolarHBondContact O-N 3.25Å |
| 51 | T | 96.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 112 | Y35 S47 L48 Y49 F53 Q54 L55 | Y35-T51 HydrophobicContact CD1-CG2 4.32Å; Y35-T51 HydrophobicContact CD2-CG2 3.72Å; Y35-T51 HydrophobicContact CE1-CG2 3.99Å; Y35-T51 HydrophobicContact CE2-CG2 3.32Å; Y35-T51 HydrophobicContact CG-CG2 4.21Å; Y35-T51 VanDerWaalsContact CZ-CG2 3.48Å; S47-T51 PolarHBondContact O-N 3.22Å; S47-T51 VanDerWaalsContact O-N 3.11Å; S47-T51 PolarHBondContact O-OG1 3.42Å; L48-T51 PolarHBondContact O-N 2.87Å; Y49-T51 VanDerWaalsContact C-N 3.28Å; Y49-T51 PolarHBondContact O-N 3.43Å; T51-F53 VanDerWaalsContact C-N 3.3Å; T51-F53 PolarHBondContact O-N 3.1Å; T51-Q54 PolarHBondContact O-N 3.22Å; T51-L55 HydrophobicContact CG2-CD1 4.1Å; T51-L55 HydrophobicContact CG2-CG 4.38Å; T51-L55 WeakPolarHBondContact O-CB 3.46Å; T51-L55 VanDerWaalsContact O-CG 3.32Å; T51-L55 WeakPolarHBondContact O-CG 3.31Å; T51-L55 PolarHBondContact O-N 3.01Å |
| 52 | I | 97.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 174 | -72.5 | 174.2 | 0 | 0 | 0 | 111.5 | L32 E36 V39 L48 Y49 N56 A68 | L32-I52 HydrophobicContact CD1-CB 4.33Å; L32-I52 HydrophobicContact CD1-CG1 4.2Å; L32-I52 HydrophobicContact CD1-CG2 3.94Å; E36-I52 HydrophobicContact CG-CD1 4.28Å; V39-I52 HydrophobicContact CB-CD1 4.43Å; V39-I52 HydrophobicContact CG2-CD1 3.57Å; L48-I52 WeakPolarHBondContact O-CG1 3.4Å; L48-I52 PolarHBondContact O-N 2.93Å; Y49-I52 WeakPolarHBondContact O-CB 3.43Å; Y49-I52 PolarHBondContact O-N 3.14Å; Y49-I52 VanDerWaalsContact O-N 3.09Å; I52-N56 WeakPolarHBondContact O-CB 3.47Å; I52-N56 PolarHBondContact O-N 3.29Å; I52-N56 PolarHBondContact O-ND2 3.18Å; I52-A68 HydrophobicContact CG2-CB 3.94Å |
| 53 | F | 97.7 | Very high | 95.7 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 177.3 | -53.5 | -21.4 | 0 | 0 | 0 | 110.7 | F46 Y49 C50 T51 L55 N56 A57 V65 A68 Q69 A72 F90 | F46-F53 HydrophobicContact CE2-CE2 4.36Å; Y49-F53 HydrophobicContact CD1-CE1 4.45Å; Y49-F53 WeakPolarHBondContact O-CD1 3.47Å; Y49-F53 WeakPolarHBondContact O-CD2 3.42Å; Y49-F53 WeakPolarHBondContact O-CE1 3.4Å; Y49-F53 WeakPolarHBondContact O-CG 3.13Å; Y49-F53 PolarHBondContact O-N 3.03Å; C50-F53 WeakPolarHBondContact O-CB 3.23Å; C50-F53 PolarHBondContact O-N 3.42Å; T51-F53 VanDerWaalsContact C-N 3.3Å; T51-F53 PolarHBondContact O-N 3.1Å; F53-L55 PolarHBondContact O-N 3.43Å; F53-N56 PolarHBondContact O-N 3.43Å; F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 2.92Å; F53-V65 HydrophobicContact CB-CG1 4.29Å; F53-A68 HydrophobicContact CD1-CB 3.8Å; F53-A68 VanDerWaalsContact CE1-C 3.45Å; F53-A68 HydrophobicContact CE1-CB 3.76Å; F53-Q69 HydrophobicContact CD1-CG 3.86Å; F53-Q69 HydrophobicContact CD2-CG 4.01Å; F53-Q69 HydrophobicContact CE1-CB 4.35Å; F53-Q69 HydrophobicContact CE1-CG 3.72Å; F53-Q69 HydrophobicContact CE2-CG 3.85Å; F53-Q69 HydrophobicContact CG-CG 4.02Å; F53-Q69 HydrophobicContact CZ-CB 4.32Å; F53-Q69 HydrophobicContact CZ-CG 3.7Å; F53-A72 HydrophobicContact CE1-CB 4.26Å; F53-A72 HydrophobicContact CZ-CB 3.65Å; F53-F90 HydrophobicContact CE2-CE2 4.02Å; F53-F90 AromaticContact CE2-CZ 3.87Å; F53-F90 HydrophobicContact CE2-CZ 3.87Å; F53-F90 HydrophobicContact CZ-CE2 4.49Å; F53-F90 AromaticContact CZ-CZ 3.9Å; F53-F90 HydrophobicContact CZ-CZ 3.9Å |
| 54 | Q | 97 | Very high | 95.8 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.1 | -46.3 | 179 | -71.4 | 172.5 | -10.2 | 0 | 0 | 111.3 | C50 T51 N56 A57 S58 | C50-Q54 WeakPolarHBondContact O-CG 3.49Å; C50-Q54 PolarHBondContact O-N 3.25Å; T51-Q54 PolarHBondContact O-N 3.22Å; Q54-N56 PolarHBondContact O-N 2.97Å; Q54-A57 WeakPolarHBondContact O-CB 3.33Å; Q54-A57 PolarHBondContact O-N 3.35Å; Q54-S58 PolarHBondContact O-N 3.14Å; Q54-S58 PolarHBondContact O-OG 3.3Å; Q54-S58 VanDerWaalsContact O-OG 3.1Å |
| 55 | L | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 178.4 | -72.2 | 173.9 | 0 | 0 | 0 | 112.7 | V23 L28 A31 L32 Y35 T51 F53 A57 S58 L59 | V23-L55 HydrophobicContact CG2-CD2 3.9Å; L28-L55 HydrophobicContact CD2-CD2 3.99Å; A31-L55 HydrophobicContact CB-CD1 4.09Å; A31-L55 HydrophobicContact CB-CD2 4.48Å; L32-L55 HydrophobicContact CB-CD1 4.48Å; L32-L55 HydrophobicContact CD1-CB 4.25Å; Y35-L55 HydrophobicContact CD2-CD1 3.48Å; Y35-L55 VanDerWaalsContact CD2-CD1 3.48Å; Y35-L55 HydrophobicContact CE2-CD1 3.89Å; T51-L55 HydrophobicContact CG2-CD1 4.1Å; T51-L55 HydrophobicContact CG2-CG 4.38Å; T51-L55 WeakPolarHBondContact O-CB 3.46Å; T51-L55 VanDerWaalsContact O-CG 3.32Å; T51-L55 WeakPolarHBondContact O-CG 3.31Å; T51-L55 PolarHBondContact O-N 3.01Å; F53-L55 PolarHBondContact O-N 3.43Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-L59 WeakPolarHBondContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 2.9Å; L55-L59 VanDerWaalsContact O-N 3.1Å |
| 56 | N | 97.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 175.4 | -82.3 | -72.7 | 0 | 0 | 0 | 112 | L32 I52 F53 Q54 L59 G60 R61 K64 V65 | L32-N56 WeakPolarHBondContact CD1-ND2 3.48Å; I52-N56 WeakPolarHBondContact O-CB 3.47Å; I52-N56 PolarHBondContact O-N 3.29Å; I52-N56 PolarHBondContact O-ND2 3.18Å; F53-N56 PolarHBondContact O-N 3.43Å; Q54-N56 PolarHBondContact O-N 2.97Å; N56-L59 PolarHBondContact O-N 3.38Å; N56-G60 PolarHBondContact O-N 2.89Å; N56-R61 HydrophobicContact CB-CB 4.48Å; N56-R61 WeakPolarHBondContact O-CB 3.43Å; N56-R61 PolarHBondContact O-N 3.44Å; N56-K64 HydrophobicContact CB-CB 4.37Å; N56-K64 VanDerWaalsContact OD1-CB 3.31Å; N56-K64 WeakPolarHBondContact OD1-CB 3.39Å; N56-V65 HydrophobicContact CB-CG2 3.56Å |
| 57 | A | 97.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F53 Q54 L55 L59 G60 V65 | F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 2.92Å; Q54-A57 WeakPolarHBondContact O-CB 3.33Å; Q54-A57 PolarHBondContact O-N 3.35Å; L55-A57 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 2.96Å; A57-G60 WeakPolarHBondContact O-CA 3.48Å; A57-G60 PolarHBondContact O-N 3.14Å; A57-V65 HydrophobicContact CB-CG2 4.07Å |
| 58 | S | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -28.2 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 113 | Q54 L55 G60 | Q54-S58 PolarHBondContact O-N 3.14Å; Q54-S58 PolarHBondContact O-OG 3.3Å; Q54-S58 VanDerWaalsContact O-OG 3.1Å; L55-S58 PolarHBondContact O-N 3.48Å; S58-G60 VanDerWaalsContact C-N 3.26Å; S58-G60 PolarHBondContact O-N 3.5Å |
| 59 | L | 96.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 2.7 | 172.7 | -72.3 | 171.6 | 0 | 0 | 0 | 113.6 | L28 R29 L55 N56 A57 R61 | L28-L59 HydrophobicContact CB-CD1 4.34Å; L28-L59 HydrophobicContact CB-CD2 3.96Å; L28-L59 HydrophobicContact CB-CG 4.17Å; L28-L59 HydrophobicContact CD1-CD2 4.16Å; L28-L59 HydrophobicContact CD1-CG 4.39Å; R29-L59 HydrophobicContact CG-CD1 4.29Å; R29-L59 HydrophobicContact CG-CD2 4.42Å; L55-L59 WeakPolarHBondContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 2.9Å; L55-L59 VanDerWaalsContact O-N 3.1Å; N56-L59 PolarHBondContact O-N 3.38Å; A57-L59 PolarHBondContact O-N 2.96Å; L59-R61 HydrophobicContact CB-CG 3.96Å; L59-R61 PolarHBondContact O-N 2.81Å |
| 60 | G | 95.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 13.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N56 A57 S58 M62 | N56-G60 PolarHBondContact O-N 2.89Å; A57-G60 WeakPolarHBondContact O-CA 3.48Å; A57-G60 PolarHBondContact O-N 3.14Å; S58-G60 VanDerWaalsContact C-N 3.26Å; S58-G60 PolarHBondContact O-N 3.5Å; G60-M62 PolarHBondContact O-N 3.01Å |
| 61 | R | 95.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 52.9 Ų | 52.9 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | trans | -93.1 | 61.1 | -171.6 | -61.2 | 176.1 | 177.7 | -176.3 | -4.6 | 111.7 | N56 L59 N63 K64 V65 | N56-R61 HydrophobicContact CB-CB 4.48Å; N56-R61 WeakPolarHBondContact O-CB 3.43Å; N56-R61 PolarHBondContact O-N 3.44Å; L59-R61 HydrophobicContact CB-CG 3.96Å; L59-R61 PolarHBondContact O-N 2.81Å; R61-N63 VanDerWaalsContact C-N 3.3Å; R61-N63 PolarHBondContact O-N 3.19Å; R61-K64 HydrophobicContact CB-CB 3.94Å; R61-K64 HydrophobicContact CB-CG 4.05Å; R61-K64 WeakPolarHBondContact O-CA 3.39Å; R61-K64 WeakPolarHBondContact O-CB 3.41Å; R61-K64 PolarHBondContact O-N 3.14Å; R61-V65 PolarHBondContact O-N 3.37Å | ||
| 62 | M | 95.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 51.2 Ų | 51.2 | 58% | 0.581 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.6 | -38.3 | -174.2 | -61.3 | -55.1 | 174.2 | 0 | 0 | 113.7 | G60 K64 V65 L66 | G60-M62 PolarHBondContact O-N 3.01Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.9Å; M62-V65 VanDerWaalsContact O-CB 3.31Å; M62-V65 WeakPolarHBondContact O-CB 3.47Å; M62-V65 PolarHBondContact O-N 3.44Å; M62-V65 VanDerWaalsContact O-N 3.09Å; M62-V65 HydrophobicContact SD-CG2 4.38Å; M62-L66 PolarHBondContact O-N 3.3Å |
| 63 | N | 94.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | 172.7 | -84 | -40.7 | 0 | 0 | 0 | 113.1 | R61 L67 K103 | R61-N63 VanDerWaalsContact C-N 3.3Å; R61-N63 PolarHBondContact O-N 3.19Å; N63-L67 WeakPolarHBondContact O-CG 3.45Å; N63-L67 PolarHBondContact O-N 2.94Å; N63-L67 VanDerWaalsContact O-N 3.14Å; N63-K103 PolarHBondContact OD1-NZ 2.9Å |
| 64 | K | 96.1 | Very high | 96.6 | Very high | 121 Ų | 121 | 54 Ų | 54 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.9 | -31.7 | 176.8 | -64.5 | -67.5 | -174.9 | 179.3 | 0 | 111.5 | N56 R61 M62 L67 A68 | N56-K64 HydrophobicContact CB-CB 4.37Å; N56-K64 VanDerWaalsContact OD1-CB 3.31Å; N56-K64 WeakPolarHBondContact OD1-CB 3.39Å; R61-K64 HydrophobicContact CB-CB 3.94Å; R61-K64 HydrophobicContact CB-CG 4.05Å; R61-K64 WeakPolarHBondContact O-CA 3.39Å; R61-K64 WeakPolarHBondContact O-CB 3.41Å; R61-K64 PolarHBondContact O-N 3.14Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.9Å; K64-L67 HydrophobicContact CD-CD1 4.46Å; K64-A68 WeakPolarHBondContact O-CB 3.32Å; K64-A68 PolarHBondContact O-N 3.13Å |
| 65 | V | 97.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 170.7 | -180 | 0 | 0 | 0 | 0 | 109.8 | F53 N56 A57 R61 M62 L67 A68 Q69 | F53-V65 HydrophobicContact CB-CG1 4.29Å; N56-V65 HydrophobicContact CB-CG2 3.56Å; A57-V65 HydrophobicContact CB-CG2 4.07Å; R61-V65 PolarHBondContact O-N 3.37Å; M62-V65 VanDerWaalsContact O-CB 3.31Å; M62-V65 WeakPolarHBondContact O-CB 3.47Å; M62-V65 PolarHBondContact O-N 3.44Å; M62-V65 VanDerWaalsContact O-N 3.09Å; M62-V65 HydrophobicContact SD-CG2 4.38Å; V65-L67 PolarHBondContact O-N 3Å; V65-A68 PolarHBondContact O-N 3.27Å; V65-Q69 HydrophobicContact CG1-CG 4.37Å; V65-Q69 WeakPolarHBondContact O-CB 3.46Å; V65-Q69 VanDerWaalsContact O-CG 3.32Å; V65-Q69 WeakPolarHBondContact O-CG 3.33Å; V65-Q69 PolarHBondContact O-N 3.13Å |
| 66 | L | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | -178.7 | -176 | 60.4 | 0 | 0 | 0 | 112.1 | M62 A68 Q69 I70 V94 K97 E101 K103 | M62-L66 PolarHBondContact O-N 3.3Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.42Å; L66-Q69 WeakPolarHBondContact O-CB 3.49Å; L66-Q69 PolarHBondContact O-N 2.9Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; L66-I70 HydrophobicContact CD1-CD1 4.32Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CG-CD1 3.87Å; L66-I70 HydrophobicContact CG-CG1 4.42Å; L66-I70 WeakPolarHBondContact O-CD1 3.32Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 2.97Å; L66-V94 HydrophobicContact CD1-CG1 4.08Å; L66-K97 HydrophobicContact CD1-CB 3.81Å; L66-K97 HydrophobicContact CD1-CD 4.19Å; L66-E101 VanDerWaalsContact CD2-CD 3.45Å; L66-E101 HydrophobicContact CD2-CG 4.35Å; L66-E101 WeakPolarHBondContact CD2-OE2 3.45Å; L66-K103 HydrophobicContact CD2-CD 3.89Å |
| 67 | L | 96.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 45% | 0.45 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.4 | -72.4 | 173.7 | 0 | 0 | 0 | 112.6 | N63 K64 V65 Q69 I70 K71 | N63-L67 WeakPolarHBondContact O-CG 3.45Å; N63-L67 PolarHBondContact O-N 2.94Å; N63-L67 VanDerWaalsContact O-N 3.14Å; K64-L67 HydrophobicContact CD-CD1 4.46Å; V65-L67 PolarHBondContact O-N 3Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; L67-I70 HydrophobicContact CD2-CD1 4.49Å; L67-K71 WeakPolarHBondContact O-CB 3.42Å; L67-K71 PolarHBondContact O-N 3.39Å |
| 68 | A | 96.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I52 F53 K64 V65 L66 K71 A72 | I52-A68 HydrophobicContact CG2-CB 3.94Å; F53-A68 HydrophobicContact CD1-CB 3.8Å; F53-A68 VanDerWaalsContact CE1-C 3.45Å; F53-A68 HydrophobicContact CE1-CB 3.76Å; K64-A68 WeakPolarHBondContact O-CB 3.32Å; K64-A68 PolarHBondContact O-N 3.13Å; V65-A68 PolarHBondContact O-N 3.27Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.42Å; A68-K71 PolarHBondContact O-N 2.95Å; A68-A72 WeakPolarHBondContact O-CB 3.41Å; A68-A72 PolarHBondContact O-N 2.9Å |
| 69 | Q | 98.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 176.4 | -75.9 | -179.4 | -28.7 | 0 | 0 | 112 | F53 V65 L66 L67 K71 A72 V73 F90 V94 | F53-Q69 HydrophobicContact CD1-CG 3.86Å; F53-Q69 HydrophobicContact CD2-CG 4.01Å; F53-Q69 HydrophobicContact CE1-CB 4.35Å; F53-Q69 HydrophobicContact CE1-CG 3.72Å; F53-Q69 HydrophobicContact CE2-CG 3.85Å; F53-Q69 HydrophobicContact CG-CG 4.02Å; F53-Q69 HydrophobicContact CZ-CB 4.32Å; F53-Q69 HydrophobicContact CZ-CG 3.7Å; V65-Q69 HydrophobicContact CG1-CG 4.37Å; V65-Q69 WeakPolarHBondContact O-CB 3.46Å; V65-Q69 VanDerWaalsContact O-CG 3.32Å; V65-Q69 WeakPolarHBondContact O-CG 3.33Å; V65-Q69 PolarHBondContact O-N 3.13Å; L66-Q69 WeakPolarHBondContact O-CB 3.49Å; L66-Q69 PolarHBondContact O-N 2.9Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.31Å; Q69-K71 PolarHBondContact O-N 3.39Å; Q69-A72 WeakPolarHBondContact O-CB 3.31Å; Q69-A72 PolarHBondContact O-N 3.45Å; Q69-A72 VanDerWaalsContact O-N 3.13Å; Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.24Å; Q69-F90 HydrophobicContact CB-CZ 4.27Å; Q69-F90 HydrophobicContact CG-CE2 4.38Å; Q69-F90 HydrophobicContact CG-CZ 4.32Å; Q69-V94 HydrophobicContact CB-CG1 4.07Å; Q69-V94 HydrophobicContact CB-CG2 3.76Å; Q69-V94 HydrophobicContact CG-CG2 4.45Å |
| 70 | I | 97.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.8 | -65.1 | 154 | 0 | 0 | 0 | 110.2 | L66 L67 A72 V73 Q74 V94 E106 K109 | L66-I70 HydrophobicContact CD1-CD1 4.32Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CG-CD1 3.87Å; L66-I70 HydrophobicContact CG-CG1 4.42Å; L66-I70 WeakPolarHBondContact O-CD1 3.32Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 2.97Å; L67-I70 HydrophobicContact CD2-CD1 4.49Å; I70-A72 VanDerWaalsContact C-N 3.31Å; I70-A72 PolarHBondContact O-N 2.89Å; I70-V73 WeakPolarHBondContact O-CB 3.38Å; I70-V73 PolarHBondContact O-N 2.88Å; I70-Q74 WeakPolarHBondContact O-CG 3.45Å; I70-Q74 PolarHBondContact O-N 3.39Å; I70-V94 HydrophobicContact CG1-CG1 3.79Å; I70-E106 HydrophobicContact CD1-CB 3.58Å; I70-E106 HydrophobicContact CD1-CG 3.52Å; I70-E106 HydrophobicContact CG1-CB 4.37Å; I70-K109 HydrophobicContact CG2-CD 4.46Å |
| 71 | K | 96 | Very high | 93.9 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.6 | -176 | 178.1 | 179.4 | -175.5 | 0 | 111.8 | L67 A68 Q69 Q74 E75 | L67-K71 WeakPolarHBondContact O-CB 3.42Å; L67-K71 PolarHBondContact O-N 3.39Å; A68-K71 PolarHBondContact O-N 2.95Å; Q69-K71 VanDerWaalsContact C-N 3.31Å; Q69-K71 PolarHBondContact O-N 3.39Å; K71-Q74 PolarHBondContact O-N 3.34Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 HydrophobicContact CG-CG 4.03Å; K71-E75 VanDerWaalsContact O-CG 3.25Å; K71-E75 WeakPolarHBondContact O-CG 3.49Å; K71-E75 PolarHBondContact O-N 2.75Å |
| 72 | A | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y49 F53 A68 Q69 I70 Q74 E75 L76 F90 | Y49-A72 HydrophobicContact CD1-CB 3.47Å; Y49-A72 VanDerWaalsContact CD1-CB 3.47Å; Y49-A72 HydrophobicContact CD2-CB 4.38Å; Y49-A72 HydrophobicContact CE1-CB 3.94Å; Y49-A72 HydrophobicContact CG-CB 3.71Å; F53-A72 HydrophobicContact CE1-CB 4.26Å; F53-A72 HydrophobicContact CZ-CB 3.65Å; A68-A72 WeakPolarHBondContact O-CB 3.41Å; A68-A72 PolarHBondContact O-N 2.9Å; Q69-A72 WeakPolarHBondContact O-CB 3.31Å; Q69-A72 PolarHBondContact O-N 3.45Å; Q69-A72 VanDerWaalsContact O-N 3.13Å; I70-A72 VanDerWaalsContact C-N 3.31Å; I70-A72 PolarHBondContact O-N 2.89Å; A72-Q74 VanDerWaalsContact C-N 3.26Å; A72-Q74 PolarHBondContact O-N 3.49Å; A72-E75 PolarHBondContact O-N 3.26Å; A72-L76 HydrophobicContact CB-CD1 3.97Å; A72-L76 WeakPolarHBondContact O-CB 3.5Å; A72-L76 WeakPolarHBondContact O-CD1 3.15Å; A72-L76 WeakPolarHBondContact O-CG 3.24Å; A72-L76 PolarHBondContact O-N 3.17Å; A72-F90 HydrophobicContact CB-CE1 3.96Å; A72-F90 HydrophobicContact CB-CZ 4.1Å |
| 73 | V | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.5 | -45 | 174 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | Q69 I70 M77 Y87 F90 A91 V94 C113 | Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.24Å; I70-V73 WeakPolarHBondContact O-CB 3.38Å; I70-V73 PolarHBondContact O-N 2.88Å; V73-M77 PolarHBondContact O-N 3.39Å; V73-Y87 PolarHBondContact O-OH 3.04Å; V73-F90 HydrophobicContact CG2-CD1 3.89Å; V73-F90 HydrophobicContact CG2-CE1 3.56Å; V73-F90 HydrophobicContact CG2-CZ 4.28Å; V73-A91 HydrophobicContact CG1-CB 3.94Å; V73-A91 HydrophobicContact CG2-CB 4.32Å; V73-V94 HydrophobicContact CG2-CB 3.97Å; V73-V94 HydrophobicContact CG2-CG1 4.24Å; V73-V94 HydrophobicContact CG2-CG2 3.94Å; V73-C113 HydrophobicContact CG1-CB 3.68Å |
| 74 | Q | 96 | Very high | 93.6 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.5 | -46.4 | -179.7 | -61.1 | -177.8 | -79.1 | 0 | 0 | 113.2 | I70 K71 A72 | I70-Q74 WeakPolarHBondContact O-CG 3.45Å; I70-Q74 PolarHBondContact O-N 3.39Å; K71-Q74 PolarHBondContact O-N 3.34Å; A72-Q74 VanDerWaalsContact C-N 3.26Å; A72-Q74 PolarHBondContact O-N 3.49Å |
| 75 | E | 94.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.5 | -28.7 | -175.1 | -61.2 | -85.4 | -169.1 | 0 | 0 | 112.3 | R43 Y49 K71 A72 | R43-E75 WeakPolarHBondContact CD-OE2 3.48Å; Y49-E75 VanDerWaalsContact OH-CB 3.28Å; Y49-E75 WeakPolarHBondContact OH-CB 3.39Å; Y49-E75 WeakPolarHBondContact OH-CG 3.42Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 HydrophobicContact CG-CG 4.03Å; K71-E75 VanDerWaalsContact O-CG 3.25Å; K71-E75 WeakPolarHBondContact O-CG 3.49Å; K71-E75 PolarHBondContact O-N 2.75Å; A72-E75 PolarHBondContact O-N 3.26Å |
| 76 | L | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.3 | -3.8 | -177.6 | -59.4 | 170.1 | 0 | 0 | 0 | 113.7 | K44 F46 Y49 A72 L78 S79 Y87 | K44-L76 VanDerWaalsContact C-CD2 3.41Å; K44-L76 WeakPolarHBondContact O-CD2 3.2Å; F46-L76 HydrophobicContact CB-CD1 4.09Å; F46-L76 HydrophobicContact CB-CD2 4.48Å; F46-L76 HydrophobicContact CD2-CD1 3.32Å; F46-L76 HydrophobicContact CE2-CD1 4.09Å; F46-L76 HydrophobicContact CG-CD1 4.11Å; Y49-L76 HydrophobicContact CD2-CD1 4.19Å; Y49-L76 HydrophobicContact CD2-CD2 4.35Å; Y49-L76 HydrophobicContact CD2-CG 4.48Å; Y49-L76 HydrophobicContact CE2-CD2 4.16Å; Y49-L76 HydrophobicContact CE2-CG 4.36Å; A72-L76 HydrophobicContact CB-CD1 3.97Å; A72-L76 WeakPolarHBondContact O-CB 3.5Å; A72-L76 WeakPolarHBondContact O-CD1 3.15Å; A72-L76 WeakPolarHBondContact O-CG 3.24Å; A72-L76 PolarHBondContact O-N 3.17Å; L76-L78 PolarHBondContact O-N 3.31Å; L76-S79 WeakPolarHBondContact O-CB 3.32Å; L76-S79 PolarHBondContact O-N 2.98Å; L76-S79 PolarHBondContact O-OG 3.26Å; L76-Y87 HydrophobicContact CB-CD2 4.32Å; L76-Y87 HydrophobicContact CB-CE2 4.31Å |
| 77 | M | 92 | Very high | 93.4 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 18% | 0.177 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -38.1 | -176.2 | -174.9 | -178.8 | 73.6 | 0 | 0 | 113.1 | V73 Y87 C113 I116 R117 | V73-M77 PolarHBondContact O-N 3.39Å; M77-Y87 WeakPolarHBondContact CA-OH 3.17Å; M77-Y87 HydrophobicContact CB-CE2 4.44Å; M77-C113 HydrophobicContact CG-CB 4.39Å; M77-C113 HydrophobicContact SD-CB 4.02Å; M77-I116 HydrophobicContact CE-CG2 4.05Å; M77-I116 HydrophobicContact SD-CB 4.04Å; M77-I116 HydrophobicContact SD-CD1 4.25Å; M77-I116 HydrophobicContact SD-CG2 3.86Å; M77-R117 HydrophobicContact CG-CB 4.21Å; M77-R117 WeakPolarHBondContact O-CD 3.42Å; M77-R117 WeakPolarHBondContact O-CG 3.5Å; M77-R117 PolarHBondContact O-NE 3.21Å |
| 78 | L | 85.1 | Confident | 93.5 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 28.9 | 177.8 | -57.2 | 175.7 | 0 | 0 | 0 | 111.9 | K44 L76 | K44-L78 PolarHBondContact NZ-O 3.33Å; L76-L78 PolarHBondContact O-N 3.31Å |
| 79 | S | 86.9 | Confident | 93.5 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | trans | -77.4 | 145.1 | 171.1 | 75.6 | 0 | 0 | 0 | 0 | 110.6 | L76 | L76-S79 WeakPolarHBondContact O-CB 3.32Å; L76-S79 PolarHBondContact O-N 2.98Å; L76-S79 PolarHBondContact O-OG 3.26Å | ||
| 80 | T | 84.3 | Confident | 93.5 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 72% | 0.718 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -91.6 | -16.9 | 169.7 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | L82 | T80-L82 VanDerWaalsContact C-N 3.27Å; T80-L82 PolarHBondContact O-N 3.14Å |
| 81 | D | 83 | Confident | 93.5 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -62.5 | -34.2 | 178.4 | -81.4 | 27.2 | 0 | 0 | 0 | 112.5 | K44 N45 | K44-D81 WeakPolarHBondContact O-CB 3.45Å; N45-D81 WeakPolarHBondContact CA-OD2 3.42Å |
| 82 | L | 89.6 | Confident | 93.5 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -104.3 | 117.3 | 178.8 | -157.9 | 60.4 | 0 | 0 | 0 | 109.8 | F46 T80 K86 Y87 | F46-L82 HydrophobicContact CB-CD1 4.5Å; F46-L82 HydrophobicContact CD1-CD1 3.56Å; F46-L82 HydrophobicContact CD1-CD2 4.28Å; F46-L82 HydrophobicContact CD2-CD2 4.32Å; F46-L82 HydrophobicContact CE1-CD1 3.89Å; F46-L82 HydrophobicContact CE1-CD2 4.37Å; F46-L82 HydrophobicContact CE2-CD2 4.38Å; F46-L82 HydrophobicContact CG-CD1 4.11Å; F46-L82 HydrophobicContact CG-CD2 4.22Å; F46-L82 HydrophobicContact CZ-CD2 4.39Å; T80-L82 VanDerWaalsContact C-N 3.27Å; T80-L82 PolarHBondContact O-N 3.14Å; L82-K86 HydrophobicContact CD1-CB 3.79Å; L82-K86 HydrophobicContact CD1-CD 4.35Å; L82-K86 HydrophobicContact CG-CB 3.99Å; L82-Y87 HydrophobicContact CD2-CD2 4.26Å |
| 83 | Q | 93.7 | Very high | 93.6 | Very high | 132 Ų | 132 | 60.1 Ų | 60.1 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | trans | -53.9 | 142.6 | 172.4 | -63.3 | -59.7 | -42.1 | 0 | 0 | 110 | E85 K86 Y87 | Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.42Å; Q83-K86 HydrophobicContact CB-CG 4.46Å; Q83-K86 WeakPolarHBondContact O-CB 3.37Å; Q83-K86 PolarHBondContact O-N 2.97Å; Q83-Y87 PolarHBondContact O-N 3.39Å | ||
| 84 | L | 94.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -49.3 | -51.3 | -173.5 | 176.1 | 64.9 | 0 | 0 | 0 | 112.3 | K86 Y87 L88 R117 A121 V123 | L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.43Å; L84-Y87 WeakPolarHBondContact O-CB 3.08Å; L84-Y87 PolarHBondContact O-N 3.26Å; L84-Y87 VanDerWaalsContact O-N 3.14Å; L84-L88 HydrophobicContact CD1-CD1 4.09Å; L84-L88 HydrophobicContact CD1-CD2 4.48Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CG-CD1 4.1Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CG 3.49Å; L84-L88 PolarHBondContact O-N 3.22Å; L84-R117 HydrophobicContact CD1-CG 3.84Å; L84-A121 HydrophobicContact CD1-CB 3.89Å; L84-A121 HydrophobicContact CD2-CB 3.42Å; L84-A121 VanDerWaalsContact CD2-CB 3.42Å; L84-A121 HydrophobicContact CG-CB 4.3Å; L84-V123 HydrophobicContact CD2-CG2 3.74Å |
| 85 | E | 95.5 | Very high | 93.7 | Very high | 136 Ų | 136 | 57.1 Ų | 57.1 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.4 | -46 | 179.9 | -172.7 | -175.3 | 175.1 | 0 | 0 | 112.1 | Q83 Y87 L88 Q89 | Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.42Å; E85-Y87 VanDerWaalsContact C-N 3.33Å; E85-Y87 PolarHBondContact O-N 2.92Å; E85-L88 PolarHBondContact O-N 3.19Å; E85-Q89 WeakPolarHBondContact O-CB 3.33Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 3.04Å; E85-Q89 PolarHBondContact OE1-NE2 3.31Å |
| 86 | K | 96 | Very high | 93.8 | Very high | 129 Ų | 129 | 58.2 Ų | 58.2 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 177.8 | -68 | -175.5 | 178.3 | 179.7 | 0 | 112 | L82 Q83 L84 F90 | L82-K86 HydrophobicContact CD1-CB 3.79Å; L82-K86 HydrophobicContact CD1-CD 4.35Å; L82-K86 HydrophobicContact CG-CB 3.99Å; Q83-K86 HydrophobicContact CB-CG 4.46Å; Q83-K86 WeakPolarHBondContact O-CB 3.37Å; Q83-K86 PolarHBondContact O-N 2.97Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.43Å; K86-F90 VanDerWaalsContact O-CB 3.28Å; K86-F90 WeakPolarHBondContact O-CB 3.44Å; K86-F90 PolarHBondContact O-N 2.97Å |
| 87 | Y | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 175.2 | 171.3 | -88.7 | 0 | 0 | 0 | 111.3 | V73 L76 M77 L82 Q83 L84 E85 F90 A91 C113 R117 | V73-Y87 PolarHBondContact O-OH 3.04Å; L76-Y87 HydrophobicContact CB-CD2 4.32Å; L76-Y87 HydrophobicContact CB-CE2 4.31Å; M77-Y87 WeakPolarHBondContact CA-OH 3.17Å; M77-Y87 HydrophobicContact CB-CE2 4.44Å; L82-Y87 HydrophobicContact CD2-CD2 4.26Å; Q83-Y87 PolarHBondContact O-N 3.39Å; L84-Y87 WeakPolarHBondContact O-CB 3.08Å; L84-Y87 PolarHBondContact O-N 3.26Å; L84-Y87 VanDerWaalsContact O-N 3.14Å; E85-Y87 VanDerWaalsContact C-N 3.33Å; E85-Y87 PolarHBondContact O-N 2.92Å; Y87-F90 PolarHBondContact O-N 2.66Å; Y87-A91 HydrophobicContact CE1-CB 4.2Å; Y87-A91 WeakPolarHBondContact O-CB 3.34Å; Y87-A91 PolarHBondContact O-N 3.24Å; Y87-C113 WeakPolarHBondContact OH-CB 3.44Å; Y87-C113 PolarHBondContact OH-O 3.33Å; Y87-C113 VanDerWaalsContact OH-O 3.11Å; Y87-R117 HydrophobicContact CD1-CB 4.07Å; Y87-R117 HydrophobicContact CD1-CG 3.51Å; Y87-R117 HydrophobicContact CE1-CB 3.5Å; Y87-R117 HydrophobicContact CE1-CG 3.46Å; Y87-R117 VanDerWaalsContact CE1-CG 3.46Å; Y87-R117 HydrophobicContact CG-CG 4.45Å |
| 88 | L | 96.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | -179.5 | -67 | -179.9 | 0 | 0 | 0 | 111.2 | L84 E85 F90 A91 E92 Y114 A118 V123 | L84-L88 HydrophobicContact CD1-CD1 4.09Å; L84-L88 HydrophobicContact CD1-CD2 4.48Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CG-CD1 4.1Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CG 3.49Å; L84-L88 PolarHBondContact O-N 3.22Å; E85-L88 PolarHBondContact O-N 3.19Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.41Å; L88-A91 PolarHBondContact O-N 3.04Å; L88-E92 WeakPolarHBondContact O-CB 3.4Å; L88-E92 PolarHBondContact O-N 2.82Å; L88-Y114 HydrophobicContact CB-CD2 4.41Å; L88-Y114 HydrophobicContact CB-CE2 3.77Å; L88-Y114 HydrophobicContact CD2-CD1 4.48Å; L88-Y114 HydrophobicContact CD2-CD2 3.94Å; L88-Y114 HydrophobicContact CD2-CE1 4.35Å; L88-Y114 HydrophobicContact CD2-CE2 3.83Å; L88-Y114 HydrophobicContact CD2-CG 4.25Å; L88-Y114 HydrophobicContact CG-CE2 4.31Å; L88-Y114 WeakPolarHBondContact O-CE2 3.39Å; L88-A118 HydrophobicContact CD1-CB 4.35Å; L88-A118 HydrophobicContact CD2-CB 3.96Å; L88-V123 HydrophobicContact CD1-CG1 4.38Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å |
| 89 | Q | 97.2 | Very high | 94.7 | Very high | 110 Ų | 110 | 57.5 Ų | 57.5 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 173.6 | -72.4 | 173.9 | 3.4 | 0 | 0 | 111.9 | E85 F93 | E85-Q89 WeakPolarHBondContact O-CB 3.33Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 3.04Å; E85-Q89 PolarHBondContact OE1-NE2 3.31Å; Q89-F93 VanDerWaalsContact O-CB 3.26Å; Q89-F93 WeakPolarHBondContact O-CB 3.25Å; Q89-F93 PolarHBondContact O-N 3.13Å |
| 90 | F | 97.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 177.5 | 176.1 | -114.5 | 0 | 0 | 0 | 112.2 | F46 F53 Q69 A72 V73 K86 Y87 L88 E92 F93 V94 | F46-F90 HydrophobicContact CE2-CD1 4.07Å; F46-F90 HydrophobicContact CE2-CD2 4.29Å; F46-F90 AromaticContact CE2-CE1 3.95Å; F46-F90 HydrophobicContact CE2-CE1 3.95Å; F46-F90 HydrophobicContact CE2-CE2 4.19Å; F46-F90 HydrophobicContact CE2-CG 4.23Å; F46-F90 HydrophobicContact CE2-CZ 4.02Å; F46-F90 HydrophobicContact CZ-CD1 4.49Å; F46-F90 HydrophobicContact CZ-CD2 4.15Å; F46-F90 HydrophobicContact CZ-CE2 4.36Å; F46-F90 HydrophobicContact CZ-CG 4.22Å; F53-F90 HydrophobicContact CE2-CE2 4.02Å; F53-F90 AromaticContact CE2-CZ 3.87Å; F53-F90 HydrophobicContact CE2-CZ 3.87Å; F53-F90 HydrophobicContact CZ-CE2 4.49Å; F53-F90 AromaticContact CZ-CZ 3.9Å; F53-F90 HydrophobicContact CZ-CZ 3.9Å; Q69-F90 HydrophobicContact CB-CZ 4.27Å; Q69-F90 HydrophobicContact CG-CE2 4.38Å; Q69-F90 HydrophobicContact CG-CZ 4.32Å; A72-F90 HydrophobicContact CB-CE1 3.96Å; A72-F90 HydrophobicContact CB-CZ 4.1Å; V73-F90 HydrophobicContact CG2-CD1 3.89Å; V73-F90 HydrophobicContact CG2-CE1 3.56Å; V73-F90 HydrophobicContact CG2-CZ 4.28Å; K86-F90 VanDerWaalsContact O-CB 3.28Å; K86-F90 WeakPolarHBondContact O-CB 3.44Å; K86-F90 PolarHBondContact O-N 2.97Å; Y87-F90 PolarHBondContact O-N 2.66Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.41Å; F90-E92 VanDerWaalsContact C-N 3.33Å; F90-E92 PolarHBondContact O-N 3.02Å; F90-F93 HydrophobicContact CD2-CD1 4.48Å; F90-F93 WeakPolarHBondContact O-CB 3.38Å; F90-F93 PolarHBondContact O-N 3.41Å; F90-V94 HydrophobicContact CD2-CG2 4.16Å; F90-V94 HydrophobicContact CE1-CG2 4.33Å; F90-V94 HydrophobicContact CE2-CG2 3.7Å; F90-V94 HydrophobicContact CZ-CG2 3.79Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 3.46Å |
| 91 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V73 Y87 L88 V94 Y95 Y114 | V73-A91 HydrophobicContact CG1-CB 3.94Å; V73-A91 HydrophobicContact CG2-CB 4.32Å; Y87-A91 HydrophobicContact CE1-CB 4.2Å; Y87-A91 WeakPolarHBondContact O-CB 3.34Å; Y87-A91 PolarHBondContact O-N 3.24Å; L88-A91 PolarHBondContact O-N 3.04Å; A91-V94 PolarHBondContact O-N 3.01Å; A91-Y95 WeakPolarHBondContact O-CB 3.44Å; A91-Y95 PolarHBondContact O-N 3.05Å; A91-Y114 HydrophobicContact CB-CD2 4.07Å |
| 92 | E | 97.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 175.1 | -178.8 | 162.7 | -138.3 | 0 | 0 | 112.4 | L88 F90 V94 Y95 N96 Y114 K128 | L88-E92 WeakPolarHBondContact O-CB 3.4Å; L88-E92 PolarHBondContact O-N 2.82Å; F90-E92 VanDerWaalsContact C-N 3.33Å; F90-E92 PolarHBondContact O-N 3.02Å; E92-V94 VanDerWaalsContact C-N 3.31Å; E92-V94 PolarHBondContact O-N 3.45Å; E92-Y95 WeakPolarHBondContact O-CB 3.1Å; E92-Y95 PolarHBondContact O-N 3.38Å; E92-N96 WeakPolarHBondContact O-CB 3.13Å; E92-N96 VanDerWaalsContact O-CG 3.32Å; E92-N96 PolarHBondContact O-N 3.31Å; E92-N96 PolarHBondContact O-ND2 3.22Å; E92-Y114 HydrophobicContact CB-CD2 4.35Å; E92-Y114 HydrophobicContact CB-CE2 4.13Å; E92-K128 WeakPolarHBondContact OE1-CE 3.28Å; E92-K128 IonicContact OE1-NZ 3.77Å; E92-K128 PolarHBondContact OE1-NZ 3.48Å |
| 93 | F | 98 | Very high | 96.4 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 174 | 167.1 | -101.4 | 0 | 0 | 0 | 112.1 | Q89 F90 K97 | Q89-F93 VanDerWaalsContact O-CB 3.26Å; Q89-F93 WeakPolarHBondContact O-CB 3.25Å; Q89-F93 PolarHBondContact O-N 3.13Å; F90-F93 HydrophobicContact CD2-CD1 4.48Å; F90-F93 WeakPolarHBondContact O-CB 3.38Å; F90-F93 PolarHBondContact O-N 3.41Å; F93-K97 HydrophobicContact CE1-CD 4.06Å; F93-K97 HydrophobicContact CZ-CD 4.05Å; F93-K97 VanDerWaalsContact CZ-NZ 3.32Å; F93-K97 PolarHBondContact O-N 3.24Å |
| 94 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | L66 Q69 I70 V73 F90 A91 E92 N96 K97 C98 | L66-V94 HydrophobicContact CD1-CG1 4.08Å; Q69-V94 HydrophobicContact CB-CG1 4.07Å; Q69-V94 HydrophobicContact CB-CG2 3.76Å; Q69-V94 HydrophobicContact CG-CG2 4.45Å; I70-V94 HydrophobicContact CG1-CG1 3.79Å; V73-V94 HydrophobicContact CG2-CB 3.97Å; V73-V94 HydrophobicContact CG2-CG1 4.24Å; V73-V94 HydrophobicContact CG2-CG2 3.94Å; F90-V94 HydrophobicContact CD2-CG2 4.16Å; F90-V94 HydrophobicContact CE1-CG2 4.33Å; F90-V94 HydrophobicContact CE2-CG2 3.7Å; F90-V94 HydrophobicContact CZ-CG2 3.79Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 3.46Å; A91-V94 PolarHBondContact O-N 3.01Å; E92-V94 VanDerWaalsContact C-N 3.31Å; E92-V94 PolarHBondContact O-N 3.45Å; V94-N96 PolarHBondContact O-N 3.32Å; V94-K97 WeakPolarHBondContact O-CB 3.49Å; V94-K97 PolarHBondContact O-N 3.43Å; V94-C98 PolarHBondContact O-N 2.95Å; V94-C98 PolarHBondContact O-SG 2.87Å |
| 95 | Y | 97.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 68 Ų | 68 | 9% | 0.09 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.9 | -51 | 172.3 | 169.6 | -104 | 0 | 0 | 0 | 111.5 | A91 E92 K97 C98 C99 K107 L111 D131 Q135 | A91-Y95 WeakPolarHBondContact O-CB 3.44Å; A91-Y95 PolarHBondContact O-N 3.05Å; E92-Y95 WeakPolarHBondContact O-CB 3.1Å; E92-Y95 PolarHBondContact O-N 3.38Å; Y95-K97 VanDerWaalsContact C-N 3.29Å; Y95-K97 PolarHBondContact O-N 3.27Å; Y95-C98 WeakPolarHBondContact O-CA 3.49Å; Y95-C98 WeakPolarHBondContact O-CB 3.46Å; Y95-C98 PolarHBondContact O-N 3.19Å; Y95-C99 PolarHBondContact O-N 3.08Å; Y95-C99 PolarHBondContact O-SG 3.11Å; Y95-K107 HydrophobicContact CD2-CB 3.96Å; Y95-K107 WeakPolarHBondContact CD2-O 3.47Å; Y95-K107 HydrophobicContact CE2-CB 3.95Å; Y95-L111 HydrophobicContact CD2-CB 4Å; Y95-L111 HydrophobicContact CE2-CB 3.97Å; Y95-L111 HydrophobicContact CE2-CD1 4.45Å; Y95-L111 HydrophobicContact CE2-CD2 4.07Å; Y95-L111 HydrophobicContact CE2-CG 4.4Å; Y95-D131 PolarHBondContact OH-OD2 3.21Å; Y95-Q135 PolarHBondContact OH-NE2 2.91Å |
| 96 | N | 97.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 179.9 | -71.6 | -25.2 | 0 | 0 | 0 | 112.5 | E92 V94 C99 A100 | E92-N96 WeakPolarHBondContact O-CB 3.13Å; E92-N96 VanDerWaalsContact O-CG 3.32Å; E92-N96 PolarHBondContact O-N 3.31Å; E92-N96 PolarHBondContact O-ND2 3.22Å; V94-N96 PolarHBondContact O-N 3.32Å; N96-C99 PolarHBondContact O-N 3.35Å; N96-A100 PolarHBondContact O-N 2.97Å |
| 97 | K | 97.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 59 Ų | 59 | 30% | 0.3 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 171.6 | -78 | -174 | 169.9 | -176.9 | 0 | 112.7 | L66 F93 V94 Y95 C99 A100 E101 | L66-K97 HydrophobicContact CD1-CB 3.81Å; L66-K97 HydrophobicContact CD1-CD 4.19Å; F93-K97 HydrophobicContact CE1-CD 4.06Å; F93-K97 HydrophobicContact CZ-CD 4.05Å; F93-K97 VanDerWaalsContact CZ-NZ 3.32Å; F93-K97 PolarHBondContact O-N 3.24Å; V94-K97 WeakPolarHBondContact O-CB 3.49Å; V94-K97 PolarHBondContact O-N 3.43Å; Y95-K97 VanDerWaalsContact C-N 3.29Å; Y95-K97 PolarHBondContact O-N 3.27Å; K97-C99 VanDerWaalsContact C-N 3.28Å; K97-C99 PolarHBondContact O-N 3.2Å; K97-A100 PolarHBondContact O-N 3.18Å; K97-E101 PolarHBondContact O-N 3.23Å |
| 98 | C | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 175.6 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | V94 Y95 E101 K102 K103 E106 K107 | V94-C98 PolarHBondContact O-N 2.95Å; V94-C98 PolarHBondContact O-SG 2.87Å; Y95-C98 WeakPolarHBondContact O-CA 3.49Å; Y95-C98 WeakPolarHBondContact O-CB 3.46Å; Y95-C98 PolarHBondContact O-N 3.19Å; C98-E101 PolarHBondContact O-N 3.4Å; C98-K102 PolarHBondContact O-N 3.06Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C98-K103 HydrophobicContact CB-CB 4.5Å; C98-K103 PolarHBondContact O-N 2.88Å; C98-E106 HydrophobicContact CB-CB 4.45Å; C98-K107 HydrophobicContact CB-CB 3.7Å |
| 99 | C | 95.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 173.4 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | Y95 N96 K97 E101 K102 | Y95-C99 PolarHBondContact O-N 3.08Å; Y95-C99 PolarHBondContact O-SG 3.11Å; N96-C99 PolarHBondContact O-N 3.35Å; K97-C99 VanDerWaalsContact C-N 3.28Å; K97-C99 PolarHBondContact O-N 3.2Å; C99-E101 VanDerWaalsContact C-N 3.27Å; C99-E101 PolarHBondContact O-N 3.17Å; C99-K102 PolarHBondContact O-N 3.42Å |
| 100 | A | 96.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 71% | 0.711 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.8 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N96 K97 K102 | N96-A100 PolarHBondContact O-N 2.97Å; K97-A100 PolarHBondContact O-N 3.18Å; A100-K102 VanDerWaalsContact C-N 3.31Å |
| 101 | E | 95.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.5 | 176.8 | -67.3 | -168.7 | -165 | 0 | 0 | 114.1 | L66 K97 C98 C99 K103 | L66-E101 VanDerWaalsContact CD2-CD 3.45Å; L66-E101 HydrophobicContact CD2-CG 4.35Å; L66-E101 WeakPolarHBondContact CD2-OE2 3.45Å; K97-E101 PolarHBondContact O-N 3.23Å; C98-E101 PolarHBondContact O-N 3.4Å; C99-E101 VanDerWaalsContact C-N 3.27Å; C99-E101 PolarHBondContact O-N 3.17Å; E101-K103 HydrophobicContact CB-CD 4.21Å; E101-K103 HydrophobicContact CB-CG 4.05Å; E101-K103 PolarHBondContact O-N 3.37Å; E101-K103 VanDerWaalsContact OE2-CE 3.24Å; E101-K103 WeakPolarHBondContact OE2-CE 3.49Å; E101-K103 IonicContact OE2-NZ 2.75Å; E101-K103 PolarHBondContact OE2-NZ 3.44Å |
| 102 | K | 94.6 | Very high | 96 | Very high | 187 Ų | 187 | 58.9 Ų | 58.9 | 81% | 0.813 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.6 | -177.6 | -55 | -178.2 | 179.8 | -178 | 0 | 113.3 | C98 C99 A100 T104 | C98-K102 PolarHBondContact O-N 3.06Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C99-K102 PolarHBondContact O-N 3.42Å; A100-K102 VanDerWaalsContact C-N 3.31Å; K102-T104 PolarHBondContact O-N 3.47Å |
| 103 | K | 94 | Very high | 95.9 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -91.4 | 83.6 | 179.5 | -70.7 | -175.1 | 170.5 | 157.2 | 0 | 110.5 | N63 L66 C98 E101 R105 E106 K107 | N63-K103 PolarHBondContact OD1-NZ 2.9Å; L66-K103 HydrophobicContact CD2-CD 3.89Å; C98-K103 HydrophobicContact CB-CB 4.5Å; C98-K103 PolarHBondContact O-N 2.88Å; E101-K103 HydrophobicContact CB-CD 4.21Å; E101-K103 HydrophobicContact CB-CG 4.05Å; E101-K103 PolarHBondContact O-N 3.37Å; E101-K103 VanDerWaalsContact OE2-CE 3.24Å; E101-K103 WeakPolarHBondContact OE2-CE 3.49Å; E101-K103 IonicContact OE2-NZ 2.75Å; E101-K103 PolarHBondContact OE2-NZ 3.44Å; K103-R105 PolarHBondContact O-N 2.99Å; K103-E106 HydrophobicContact CB-CB 3.99Å; K103-E106 HydrophobicContact CB-CG 4.4Å; K103-E106 PolarHBondContact O-N 2.74Å; K103-K107 PolarHBondContact O-N 3.32Å | ||
| 104 | T | 93.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | -170.3 | -54.2 | 0 | 0 | 0 | 0 | 114 | K102 E106 K107 L108 E139 | K102-T104 PolarHBondContact O-N 3.47Å; T104-E106 VanDerWaalsContact C-N 3.29Å; T104-E106 PolarHBondContact O-N 3.3Å; T104-K107 VanDerWaalsContact CG2-CE 3.49Å; T104-K107 WeakPolarHBondContact O-CG 3.36Å; T104-K107 PolarHBondContact O-N 3.19Å; T104-L108 WeakPolarHBondContact O-CB 3.5Å; T104-L108 PolarHBondContact O-N 3.13Å; T104-E139 HydrophobicContact CG2-CG 3.83Å; T104-E139 WeakPolarHBondContact CG2-OE1 3.42Å |
| 105 | R | 93.7 | Very high | 95.6 | Very high | 173 Ų | 173 | 53 Ų | 53 | 65% | 0.653 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.2 | -37.7 | -179.3 | -172.2 | 179.8 | -177.4 | -176.6 | 3.3 | 111.8 | K103 K109 | K103-R105 PolarHBondContact O-N 2.99Å; R105-K109 WeakPolarHBondContact O-CG 3.43Å; R105-K109 PolarHBondContact O-N 3.1Å |
| 106 | E | 95.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.5 | -39.2 | -179.3 | -70 | 64.9 | -145 | 0 | 0 | 112.6 | I70 C98 K103 T104 L108 K109 C110 | I70-E106 HydrophobicContact CD1-CB 3.58Å; I70-E106 HydrophobicContact CD1-CG 3.52Å; I70-E106 HydrophobicContact CG1-CB 4.37Å; C98-E106 HydrophobicContact CB-CB 4.45Å; K103-E106 HydrophobicContact CB-CB 3.99Å; K103-E106 HydrophobicContact CB-CG 4.4Å; K103-E106 PolarHBondContact O-N 2.74Å; T104-E106 VanDerWaalsContact C-N 3.29Å; T104-E106 PolarHBondContact O-N 3.3Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 2.93Å; E106-K109 PolarHBondContact O-N 3.12Å; E106-C110 PolarHBondContact O-N 3.43Å; E106-C110 VanDerWaalsContact O-N 3.17Å; E106-C110 PolarHBondContact O-SG 3.43Å |
| 107 | K | 95.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.2 | 66 | 168.5 | 180 | 156.5 | 0 | 110.3 | Y95 C98 K103 T104 K109 C110 L111 Q135 | Y95-K107 HydrophobicContact CD2-CB 3.96Å; Y95-K107 WeakPolarHBondContact CD2-O 3.47Å; Y95-K107 HydrophobicContact CE2-CB 3.95Å; C98-K107 HydrophobicContact CB-CB 3.7Å; K103-K107 PolarHBondContact O-N 3.32Å; T104-K107 VanDerWaalsContact CG2-CE 3.49Å; T104-K107 WeakPolarHBondContact O-CG 3.36Å; T104-K107 PolarHBondContact O-N 3.19Å; K107-K109 PolarHBondContact O-N 3.4Å; K107-C110 WeakPolarHBondContact O-CB 3.45Å; K107-C110 PolarHBondContact O-N 3.32Å; K107-C110 VanDerWaalsContact O-N 3.1Å; K107-L111 PolarHBondContact O-N 3.1Å; K107-Q135 VanDerWaalsContact CD-OE1 3.25Å |
| 108 | L | 95 | Very high | 95 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -37.8 | -177 | -167 | 69.1 | 0 | 0 | 0 | 111.9 | T104 E106 C110 L111 K112 Y132 Q135 L136 | T104-L108 WeakPolarHBondContact O-CB 3.5Å; T104-L108 PolarHBondContact O-N 3.13Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 2.93Å; L108-C110 PolarHBondContact O-N 3.17Å; L108-L111 PolarHBondContact O-N 3Å; L108-K112 VanDerWaalsContact O-CB 3.3Å; L108-K112 WeakPolarHBondContact O-CB 3.03Å; L108-K112 PolarHBondContact O-N 3.27Å; L108-Y132 HydrophobicContact CD1-CD2 3.61Å; L108-Y132 HydrophobicContact CD1-CE2 3.54Å; L108-Y132 HydrophobicContact CG-CD2 4.44Å; L108-Y132 HydrophobicContact CG-CE2 3.93Å; L108-Q135 HydrophobicContact CD1-CB 3.85Å; L108-L136 HydrophobicContact CD1-CD2 4.25Å; L108-L136 HydrophobicContact CD1-CG 4.28Å; L108-L136 HydrophobicContact CD2-CD2 3.78Å; L108-L136 HydrophobicContact CG-CD2 4.36Å |
| 109 | K | 95.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 171 | -73.1 | 171.5 | -177 | 170.9 | 0 | 112.1 | I70 R105 E106 K107 C113 | I70-K109 HydrophobicContact CG2-CD 4.46Å; R105-K109 WeakPolarHBondContact O-CG 3.43Å; R105-K109 PolarHBondContact O-N 3.1Å; E106-K109 PolarHBondContact O-N 3.12Å; K107-K109 PolarHBondContact O-N 3.4Å; K109-C113 PolarHBondContact O-N 2.88Å; K109-C113 VanDerWaalsContact O-N 3.11Å; K109-C113 PolarHBondContact O-SG 3.07Å; K109-C113 VanDerWaalsContact O-SG 3.37Å |
| 110 | C | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 111 | E106 K107 L108 C113 Y114 | E106-C110 PolarHBondContact O-N 3.43Å; E106-C110 VanDerWaalsContact O-N 3.17Å; E106-C110 PolarHBondContact O-SG 3.43Å; K107-C110 WeakPolarHBondContact O-CB 3.45Å; K107-C110 PolarHBondContact O-N 3.32Å; K107-C110 VanDerWaalsContact O-N 3.1Å; L108-C110 PolarHBondContact O-N 3.17Å; C110-C113 PolarHBondContact O-N 3.4Å; C110-Y114 WeakPolarHBondContact O-CB 3.39Å; C110-Y114 PolarHBondContact O-N 3.33Å |
| 111 | L | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 178.8 | -173 | 57.5 | 0 | 0 | 0 | 111.7 | Y95 K107 L108 C113 Y114 V115 K128 D131 Y132 | Y95-L111 HydrophobicContact CD2-CB 4Å; Y95-L111 HydrophobicContact CE2-CB 3.97Å; Y95-L111 HydrophobicContact CE2-CD1 4.45Å; Y95-L111 HydrophobicContact CE2-CD2 4.07Å; Y95-L111 HydrophobicContact CE2-CG 4.4Å; K107-L111 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 3Å; L111-C113 PolarHBondContact O-N 2.86Å; L111-Y114 WeakPolarHBondContact O-CB 3.38Å; L111-Y114 PolarHBondContact O-N 3.19Å; L111-V115 HydrophobicContact CD1-CG2 4.29Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.83Å; L111-K128 HydrophobicContact CD1-CB 4.23Å; L111-K128 HydrophobicContact CD1-CD 4.26Å; L111-D131 HydrophobicContact CD2-CB 4.28Å; L111-Y132 HydrophobicContact CB-CD2 4.45Å; L111-Y132 HydrophobicContact CD2-CD2 4.2Å; L111-Y132 HydrophobicContact CD2-CG 4.49Å; L111-Y132 HydrophobicContact CG-CD2 4.15Å; L111-Y132 HydrophobicContact CG-CG 4.36Å |
| 112 | K | 95 | Very high | 93.7 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 30% | 0.296 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.4 | -52 | 171.6 | 179.7 | 175.2 | -178 | 160.3 | 0 | 111.5 | L108 Y114 V115 I116 Y132 E144 | L108-K112 VanDerWaalsContact O-CB 3.3Å; L108-K112 WeakPolarHBondContact O-CB 3.03Å; L108-K112 PolarHBondContact O-N 3.27Å; K112-Y114 VanDerWaalsContact C-N 3.32Å; K112-Y114 PolarHBondContact O-N 3.38Å; K112-V115 PolarHBondContact O-N 3.07Å; K112-I116 HydrophobicContact CD-CD1 4.49Å; K112-I116 HydrophobicContact CG-CD1 3.73Å; K112-I116 VanDerWaalsContact O-CG1 3.27Å; K112-I116 WeakPolarHBondContact O-CG1 3.09Å; K112-I116 PolarHBondContact O-N 3.45Å; K112-Y132 HydrophobicContact CB-CE1 4.44Å; K112-Y132 HydrophobicContact CB-CE2 3.83Å; K112-Y132 WeakPolarHBondContact CD-OH 3.38Å; K112-Y132 HydrophobicContact CG-CE1 4.46Å; K112-E144 WeakPolarHBondContact CE-OE1 3.49Å; K112-E144 VanDerWaalsContact NZ-CD 3.28Å; K112-E144 IonicContact NZ-OE1 3.19Å; K112-E144 PolarHBondContact NZ-OE1 2.97Å; K112-E144 IonicContact NZ-OE2 2.66Å; K112-E144 PolarHBondContact NZ-OE2 3.49Å |
| 113 | C | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -31.6 | -179.5 | -72.3 | 0 | 0 | 0 | 0 | 113.4 | V73 M77 Y87 K109 C110 L111 R117 | V73-C113 HydrophobicContact CG1-CB 3.68Å; M77-C113 HydrophobicContact CG-CB 4.39Å; M77-C113 HydrophobicContact SD-CB 4.02Å; Y87-C113 WeakPolarHBondContact OH-CB 3.44Å; Y87-C113 PolarHBondContact OH-O 3.33Å; Y87-C113 VanDerWaalsContact OH-O 3.11Å; K109-C113 PolarHBondContact O-N 2.88Å; K109-C113 VanDerWaalsContact O-N 3.11Å; K109-C113 PolarHBondContact O-SG 3.07Å; K109-C113 VanDerWaalsContact O-SG 3.37Å; C110-C113 PolarHBondContact O-N 3.4Å; L111-C113 PolarHBondContact O-N 2.86Å; C113-R117 WeakPolarHBondContact O-CB 3.27Å; C113-R117 PolarHBondContact O-N 2.92Å |
| 114 | Y | 96.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -55.3 | 172.8 | -178.2 | -76 | 0 | 0 | 0 | 110.3 | L88 A91 E92 C110 L111 K112 I116 R117 A118 C125 K128 | L88-Y114 HydrophobicContact CB-CD2 4.41Å; L88-Y114 HydrophobicContact CB-CE2 3.77Å; L88-Y114 HydrophobicContact CD2-CD1 4.48Å; L88-Y114 HydrophobicContact CD2-CD2 3.94Å; L88-Y114 HydrophobicContact CD2-CE1 4.35Å; L88-Y114 HydrophobicContact CD2-CE2 3.83Å; L88-Y114 HydrophobicContact CD2-CG 4.25Å; L88-Y114 HydrophobicContact CG-CE2 4.31Å; L88-Y114 WeakPolarHBondContact O-CE2 3.39Å; A91-Y114 HydrophobicContact CB-CD2 4.07Å; E92-Y114 HydrophobicContact CB-CD2 4.35Å; E92-Y114 HydrophobicContact CB-CE2 4.13Å; C110-Y114 WeakPolarHBondContact O-CB 3.39Å; C110-Y114 PolarHBondContact O-N 3.33Å; L111-Y114 WeakPolarHBondContact O-CB 3.38Å; L111-Y114 PolarHBondContact O-N 3.19Å; K112-Y114 VanDerWaalsContact C-N 3.32Å; K112-Y114 PolarHBondContact O-N 3.38Å; Y114-I116 PolarHBondContact O-N 3.03Å; Y114-R117 PolarHBondContact O-N 3.39Å; Y114-A118 HydrophobicContact CD1-CB 4.34Å; Y114-A118 HydrophobicContact CE1-CB 4.06Å; Y114-A118 WeakPolarHBondContact O-CB 3.47Å; Y114-A118 PolarHBondContact O-N 3.29Å; Y114-C125 HydrophobicContact CE1-CB 4.35Å; Y114-K128 HydrophobicContact CD1-CB 4.2Å; Y114-K128 HydrophobicContact CD1-CG 4.14Å; Y114-K128 HydrophobicContact CE1-CB 4.16Å; Y114-K128 HydrophobicContact CE1-CG 3.73Å |
| 115 | V | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | -175 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | L111 K112 R117 A118 H119 K128 I129 F152 | L111-V115 HydrophobicContact CD1-CG2 4.29Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.83Å; K112-V115 PolarHBondContact O-N 3.07Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 3.43Å; V115-A118 PolarHBondContact O-N 3.43Å; V115-H119 WeakPolarHBondContact O-CB 3.33Å; V115-H119 PolarHBondContact O-N 3.37Å; V115-K128 HydrophobicContact CG2-CB 3.9Å; V115-I129 HydrophobicContact CB-CG1 4.5Å; V115-I129 HydrophobicContact CG1-CB 4.46Å; V115-I129 HydrophobicContact CG1-CD1 4.33Å; V115-I129 HydrophobicContact CG1-CG1 3.39Å; V115-I129 HydrophobicContact CG2-CG1 4.33Å; V115-F152 HydrophobicContact CG1-CD1 4.13Å; V115-F152 HydrophobicContact CG1-CD2 4.09Å; V115-F152 HydrophobicContact CG1-CE1 3.88Å; V115-F152 HydrophobicContact CG1-CE2 3.85Å; V115-F152 HydrophobicContact CG1-CG 4.24Å; V115-F152 HydrophobicContact CG1-CZ 3.75Å |
| 116 | I | 91.2 | Very high | 93 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 25% | 0.246 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 177.2 | -69.4 | 169.1 | 0 | 0 | 0 | 110.9 | M77 K112 Y114 S120 F152 | M77-I116 HydrophobicContact CE-CG2 4.05Å; M77-I116 HydrophobicContact SD-CB 4.04Å; M77-I116 HydrophobicContact SD-CD1 4.25Å; M77-I116 HydrophobicContact SD-CG2 3.86Å; K112-I116 HydrophobicContact CD-CD1 4.49Å; K112-I116 HydrophobicContact CG-CD1 3.73Å; K112-I116 VanDerWaalsContact O-CG1 3.27Å; K112-I116 WeakPolarHBondContact O-CG1 3.09Å; K112-I116 PolarHBondContact O-N 3.45Å; Y114-I116 PolarHBondContact O-N 3.03Å; I116-S120 VanDerWaalsContact O-CB 3.29Å; I116-S120 WeakPolarHBondContact O-CB 3.4Å; I116-S120 PolarHBondContact O-N 3.29Å; I116-S120 PolarHBondContact O-OG 2.87Å; I116-F152 HydrophobicContact CG1-CE1 4.3Å; I116-F152 HydrophobicContact CG1-CZ 3.75Å |
| 117 | R | 93.7 | Very high | 92.7 | Very high | 51 Ų | 51 | 49 Ų | 49 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.8 | -40.7 | -176.5 | -175.7 | 48.4 | 164.9 | 162.4 | -0.4 | 112.5 | M77 L84 Y87 C113 Y114 V115 S120 A121 | M77-R117 HydrophobicContact CG-CB 4.21Å; M77-R117 WeakPolarHBondContact O-CD 3.42Å; M77-R117 WeakPolarHBondContact O-CG 3.5Å; M77-R117 PolarHBondContact O-NE 3.21Å; L84-R117 HydrophobicContact CD1-CG 3.84Å; Y87-R117 HydrophobicContact CD1-CB 4.07Å; Y87-R117 HydrophobicContact CD1-CG 3.51Å; Y87-R117 HydrophobicContact CE1-CB 3.5Å; Y87-R117 HydrophobicContact CE1-CG 3.46Å; Y87-R117 VanDerWaalsContact CE1-CG 3.46Å; Y87-R117 HydrophobicContact CG-CG 4.45Å; C113-R117 WeakPolarHBondContact O-CB 3.27Å; C113-R117 PolarHBondContact O-N 2.92Å; Y114-R117 PolarHBondContact O-N 3.39Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 3.43Å; R117-S120 PolarHBondContact O-OG 2.88Å; R117-S120 VanDerWaalsContact O-OG 3.07Å; R117-A121 WeakPolarHBondContact O-CB 3.4Å; R117-A121 PolarHBondContact O-N 3.41Å |
| 118 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L88 Y114 V115 S120 A121 G122 V123 C125 | L88-A118 HydrophobicContact CD1-CB 4.35Å; L88-A118 HydrophobicContact CD2-CB 3.96Å; Y114-A118 HydrophobicContact CD1-CB 4.34Å; Y114-A118 HydrophobicContact CE1-CB 4.06Å; Y114-A118 WeakPolarHBondContact O-CB 3.47Å; Y114-A118 PolarHBondContact O-N 3.29Å; V115-A118 PolarHBondContact O-N 3.43Å; A118-S120 PolarHBondContact O-N 3.11Å; A118-A121 CarbonylContact O-C 3.6Å; A118-A121 PolarHBondContact O-N 2.97Å; A118-A121 VanDerWaalsContact O-N 3.1Å; A118-G122 PolarHBondContact O-N 2.95Å; A118-V123 HydrophobicContact CB-CB 4.2Å; A118-V123 HydrophobicContact CB-CG1 4.49Å; A118-V123 PolarHBondContact O-N 2.9Å; A118-C125 HydrophobicContact CB-CB 3.74Å |
| 119 | H | 88.7 | Confident | 92.1 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | -179.7 | -175.6 | 76.9 | 0 | 0 | 0 | 112.1 | V115 A121 G122 F152 | V115-H119 WeakPolarHBondContact O-CB 3.33Å; V115-H119 PolarHBondContact O-N 3.37Å; H119-A121 PolarHBondContact O-N 3.3Å; H119-A121 VanDerWaalsContact O-N 3.13Å; H119-G122 PolarHBondContact O-N 2.9Å; H119-F152 HydrophobicContact CB-CD1 4.37Å; H119-F152 HydrophobicContact CB-CE1 4.44Å |
| 120 | S | 88.2 | Confident | 91.8 | Very high | 74 Ų | 74 | 48 Ų | 48 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -20.1 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | I116 R117 A118 | I116-S120 VanDerWaalsContact O-CB 3.29Å; I116-S120 WeakPolarHBondContact O-CB 3.4Å; I116-S120 PolarHBondContact O-N 3.29Å; I116-S120 PolarHBondContact O-OG 2.87Å; R117-S120 PolarHBondContact O-OG 2.88Å; R117-S120 VanDerWaalsContact O-OG 3.07Å; A118-S120 PolarHBondContact O-N 3.11Å |
| 121 | A | 90.9 | Very high | 91.5 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L84 R117 A118 H119 V123 | L84-A121 HydrophobicContact CD1-CB 3.89Å; L84-A121 HydrophobicContact CD2-CB 3.42Å; L84-A121 VanDerWaalsContact CD2-CB 3.42Å; L84-A121 HydrophobicContact CG-CB 4.3Å; R117-A121 WeakPolarHBondContact O-CB 3.4Å; R117-A121 PolarHBondContact O-N 3.41Å; A118-A121 CarbonylContact O-C 3.6Å; A118-A121 PolarHBondContact O-N 2.97Å; A118-A121 VanDerWaalsContact O-N 3.1Å; H119-A121 PolarHBondContact O-N 3.3Å; H119-A121 VanDerWaalsContact O-N 3.13Å; A121-V123 HydrophobicContact CB-CG2 4.24Å; A121-V123 PolarHBondContact O-N 2.93Å |
| 122 | G | 88.8 | Confident | 91.3 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 19.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A118 H119 | A118-G122 PolarHBondContact O-N 2.95Å; H119-G122 PolarHBondContact O-N 2.9Å |
| 123 | V | 92.2 | Very high | 90.9 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | trans | -80.4 | 129.4 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | L84 L88 A118 A121 C125 | L84-V123 HydrophobicContact CD2-CG2 3.74Å; L88-V123 HydrophobicContact CD1-CG1 4.38Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å; A118-V123 HydrophobicContact CB-CB 4.2Å; A118-V123 HydrophobicContact CB-CG1 4.49Å; A118-V123 PolarHBondContact O-N 2.9Å; A121-V123 HydrophobicContact CB-CG2 4.24Å; A121-V123 PolarHBondContact O-N 2.93Å; V123-C125 PolarHBondContact O-N 3.45Å; V123-C125 VanDerWaalsContact O-N 3.1Å; V123-C125 PolarHBondContact O-SG 3.1Å | ||
| 124 | D | 90.2 | Very high | 90.6 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | trans | -60.4 | 116.8 | 172.2 | -176.7 | 8.3 | 0 | 0 | 0 | 109.7 | S126 | D124-S126 WeakPolarHBondContact OD1-CB 3.3Å; D124-S126 PolarHBondContact OD1-N 3.43Å; D124-S126 PolarHBondContact OD1-OG 3.49Å | ||
| 125 | C | 90.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | trans | -136.8 | 25.8 | 179.3 | 56 | 0 | 0 | 0 | 0 | 110.9 | Y114 A118 V123 E127 K128 I129 | Y114-C125 HydrophobicContact CE1-CB 4.35Å; A118-C125 HydrophobicContact CB-CB 3.74Å; V123-C125 PolarHBondContact O-N 3.45Å; V123-C125 VanDerWaalsContact O-N 3.1Å; V123-C125 PolarHBondContact O-SG 3.1Å; C125-E127 VanDerWaalsContact C-N 3.31Å; C125-E127 PolarHBondContact O-N 2.98Å; C125-K128 HydrophobicContact CB-CB 4.41Å; C125-K128 CarbonylContact O-C 3.26Å; C125-K128 WeakPolarHBondContact O-CA 3.5Å; C125-K128 PolarHBondContact O-N 3.28Å; C125-I129 WeakPolarHBondContact O-CG1 3.29Å; C125-I129 PolarHBondContact O-N 3.01Å | ||
| 126 | S | 87.1 | Confident | 90.1 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -49.9 | -46.9 | 179.7 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | D124 K128 I129 A130 | D124-S126 WeakPolarHBondContact OD1-CB 3.3Å; D124-S126 PolarHBondContact OD1-N 3.43Å; D124-S126 PolarHBondContact OD1-OG 3.49Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.76Å; S126-I129 PolarHBondContact O-N 3.18Å; S126-A130 WeakPolarHBondContact O-CB 3.49Å; S126-A130 PolarHBondContact O-N 3.23Å |
| 127 | E | 89.5 | Confident | 89.9 | Confident | 165 Ų | 165 | 47.5 Ų | 47.5 | 77% | 0.771 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 175.8 | -66.2 | -173.9 | 169.9 | 0 | 0 | 113 | C125 A130 D131 | C125-E127 VanDerWaalsContact C-N 3.31Å; C125-E127 PolarHBondContact O-N 2.98Å; E127-A130 PolarHBondContact O-N 3.19Å; E127-D131 PolarHBondContact O-N 3.45Å |
| 128 | K | 91.6 | Very high | 89.6 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.6 | -32.5 | 179.2 | -62.6 | -66.5 | -169.6 | -177.2 | 0 | 111.8 | E92 L111 Y114 V115 C125 S126 Y132 | E92-K128 WeakPolarHBondContact OE1-CE 3.28Å; E92-K128 IonicContact OE1-NZ 3.77Å; E92-K128 PolarHBondContact OE1-NZ 3.48Å; L111-K128 HydrophobicContact CD1-CB 4.23Å; L111-K128 HydrophobicContact CD1-CD 4.26Å; Y114-K128 HydrophobicContact CD1-CB 4.2Å; Y114-K128 HydrophobicContact CD1-CG 4.14Å; Y114-K128 HydrophobicContact CE1-CB 4.16Å; Y114-K128 HydrophobicContact CE1-CG 3.73Å; V115-K128 HydrophobicContact CG2-CB 3.9Å; C125-K128 HydrophobicContact CB-CB 4.41Å; C125-K128 CarbonylContact O-C 3.26Å; C125-K128 WeakPolarHBondContact O-CA 3.5Å; C125-K128 PolarHBondContact O-N 3.28Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.76Å; K128-Y132 WeakPolarHBondContact O-CB 3.06Å; K128-Y132 PolarHBondContact O-N 3.5Å |
| 129 | I | 87.4 | Confident | 89.4 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 170.6 | -69.4 | 161.7 | 0 | 0 | 0 | 109.4 | V115 C125 S126 D131 Y132 L133 F152 T153 | V115-I129 HydrophobicContact CB-CG1 4.5Å; V115-I129 HydrophobicContact CG1-CB 4.46Å; V115-I129 HydrophobicContact CG1-CD1 4.33Å; V115-I129 HydrophobicContact CG1-CG1 3.39Å; V115-I129 HydrophobicContact CG2-CG1 4.33Å; C125-I129 WeakPolarHBondContact O-CG1 3.29Å; C125-I129 PolarHBondContact O-N 3.01Å; S126-I129 PolarHBondContact O-N 3.18Å; I129-D131 PolarHBondContact O-N 3.36Å; I129-Y132 WeakPolarHBondContact O-CB 3.41Å; I129-Y132 PolarHBondContact O-N 2.81Å; I129-Y132 VanDerWaalsContact O-N 3.09Å; I129-L133 HydrophobicContact CG2-CD1 4.01Å; I129-L133 HydrophobicContact CG2-CG 4.3Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 3.04Å; I129-F152 HydrophobicContact CD1-CB 4.21Å; I129-F152 HydrophobicContact CG1-CB 4.38Å; I129-F152 HydrophobicContact CG1-CG 4.46Å; I129-F152 HydrophobicContact CG2-CB 3.93Å; I129-T153 HydrophobicContact CG2-CG2 4.5Å |
| 130 | A | 87.7 | Confident | 89.4 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S126 E127 Y132 Q134 Y189 | S126-A130 WeakPolarHBondContact O-CB 3.49Å; S126-A130 PolarHBondContact O-N 3.23Å; E127-A130 PolarHBondContact O-N 3.19Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 3.44Å; A130-Q134 WeakPolarHBondContact O-CB 3.16Å; A130-Q134 PolarHBondContact O-N 3.27Å; A130-Y189 HydrophobicContact CB-CE2 4.3Å; A130-Y189 VanDerWaalsContact CB-OH 3.26Å; A130-Y189 WeakPolarHBondContact CB-OH 3.31Å; A130-Y189 PolarHBondContact O-OH 3.43Å |
| 131 | D | 90.7 | Very high | 89.2 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 173.8 | -173.5 | 25.1 | 0 | 0 | 0 | 111.4 | Y95 L111 E127 I129 Q134 Q135 | Y95-D131 PolarHBondContact OH-OD2 3.21Å; L111-D131 HydrophobicContact CD2-CB 4.28Å; E127-D131 PolarHBondContact O-N 3.45Å; I129-D131 PolarHBondContact O-N 3.36Å; D131-Q134 PolarHBondContact O-N 2.64Å; D131-Q135 VanDerWaalsContact CG-NE2 3.27Å; D131-Q135 WeakPolarHBondContact O-CB 3.02Å; D131-Q135 VanDerWaalsContact O-CG 3.29Å; D131-Q135 WeakPolarHBondContact O-CG 3.41Å; D131-Q135 PolarHBondContact O-N 3.46Å; D131-Q135 PolarHBondContact OD1-NE2 2.92Å; D131-Q135 PolarHBondContact OD2-NE2 3.09Å |
| 132 | Y | 92.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 179.9 | -177.9 | -132.2 | 0 | 0 | 0 | 112.9 | L108 L111 K112 K128 I129 A130 Q135 L136 E144 A148 F152 | L108-Y132 HydrophobicContact CD1-CD2 3.61Å; L108-Y132 HydrophobicContact CD1-CE2 3.54Å; L108-Y132 HydrophobicContact CG-CD2 4.44Å; L108-Y132 HydrophobicContact CG-CE2 3.93Å; L111-Y132 HydrophobicContact CB-CD2 4.45Å; L111-Y132 HydrophobicContact CD2-CD2 4.2Å; L111-Y132 HydrophobicContact CD2-CG 4.49Å; L111-Y132 HydrophobicContact CG-CD2 4.15Å; L111-Y132 HydrophobicContact CG-CG 4.36Å; K112-Y132 HydrophobicContact CB-CE1 4.44Å; K112-Y132 HydrophobicContact CB-CE2 3.83Å; K112-Y132 WeakPolarHBondContact CD-OH 3.38Å; K112-Y132 HydrophobicContact CG-CE1 4.46Å; K128-Y132 WeakPolarHBondContact O-CB 3.06Å; K128-Y132 PolarHBondContact O-N 3.5Å; I129-Y132 WeakPolarHBondContact O-CB 3.41Å; I129-Y132 PolarHBondContact O-N 2.81Å; I129-Y132 VanDerWaalsContact O-N 3.09Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 3.44Å; Y132-Q135 PolarHBondContact O-N 3.31Å; Y132-L136 HydrophobicContact CD1-CD1 4.23Å; Y132-L136 HydrophobicContact CD2-CD1 4.32Å; Y132-L136 HydrophobicContact CD2-CG 4.32Å; Y132-L136 HydrophobicContact CE1-CD1 3.78Å; Y132-L136 HydrophobicContact CE2-CD1 3.85Å; Y132-L136 HydrophobicContact CE2-CD2 4.18Å; Y132-L136 HydrophobicContact CE2-CG 3.91Å; Y132-L136 HydrophobicContact CG-CD1 4.47Å; Y132-L136 WeakPolarHBondContact O-CG 3.49Å; Y132-L136 PolarHBondContact O-N 2.84Å; Y132-E144 PolarHBondContact OH-OE1 3.42Å; Y132-A148 HydrophobicContact CD1-CB 4.27Å; Y132-A148 HydrophobicContact CE1-CB 3.67Å; Y132-F152 HydrophobicContact CD1-CE2 4.16Å; Y132-F152 HydrophobicContact CE1-CE2 4.03Å |
| 133 | L | 87.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.9 | -63.7 | 178.2 | 0 | 0 | 0 | 111.2 | I129 Q135 L136 S137 L145 A148 Y189 | I129-L133 HydrophobicContact CG2-CD1 4.01Å; I129-L133 HydrophobicContact CG2-CG 4.3Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 3.04Å; L133-Q135 PolarHBondContact O-N 3.02Å; L133-L136 PolarHBondContact O-N 3.44Å; L133-S137 PolarHBondContact O-N 3.04Å; L133-L145 HydrophobicContact CB-CD1 4.1Å; L133-L145 HydrophobicContact CD2-CD1 3.97Å; L133-L145 WeakPolarHBondContact O-CD1 3.4Å; L133-A148 HydrophobicContact CD2-CB 3.73Å; L133-Y189 HydrophobicContact CB-CD1 4.3Å; L133-Y189 HydrophobicContact CB-CE1 4.37Å |
| 134 | Q | 88.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 176.8 | -178.8 | 59.3 | 27.5 | 0 | 0 | 111.5 | A130 D131 L136 S137 E138 Y189 | A130-Q134 WeakPolarHBondContact O-CB 3.16Å; A130-Q134 PolarHBondContact O-N 3.27Å; D131-Q134 PolarHBondContact O-N 2.64Å; Q134-L136 PolarHBondContact O-N 3.25Å; Q134-S137 WeakPolarHBondContact O-CB 3.26Å; Q134-S137 PolarHBondContact O-N 3.02Å; Q134-E138 PolarHBondContact NE2-OE1 3.35Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 3.47Å; Q134-Y189 HydrophobicContact CB-CE1 4.46Å |
| 135 | Q | 91.5 | Very high | 87.4 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 178.5 | -70.7 | -174.9 | 48.7 | 0 | 0 | 113.1 | Y95 K107 L108 D131 Y132 L133 S137 E138 E139 | Y95-Q135 PolarHBondContact OH-NE2 2.91Å; K107-Q135 VanDerWaalsContact CD-OE1 3.25Å; L108-Q135 HydrophobicContact CD1-CB 3.85Å; D131-Q135 VanDerWaalsContact CG-NE2 3.27Å; D131-Q135 WeakPolarHBondContact O-CB 3.02Å; D131-Q135 VanDerWaalsContact O-CG 3.29Å; D131-Q135 WeakPolarHBondContact O-CG 3.41Å; D131-Q135 PolarHBondContact O-N 3.46Å; D131-Q135 PolarHBondContact OD1-NE2 2.92Å; D131-Q135 PolarHBondContact OD2-NE2 3.09Å; Y132-Q135 PolarHBondContact O-N 3.31Å; L133-Q135 PolarHBondContact O-N 3.02Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-E138 PolarHBondContact O-N 3.43Å; Q135-E139 WeakPolarHBondContact O-CB 3.32Å; Q135-E139 VanDerWaalsContact O-CG 3.3Å; Q135-E139 WeakPolarHBondContact O-CG 3.42Å; Q135-E139 PolarHBondContact O-N 3.45Å; Q135-E139 VanDerWaalsContact O-N 3.08Å |
| 136 | L | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.3 | -74.7 | 171.4 | 0 | 0 | 0 | 111.8 | L108 Y132 L133 Q134 E139 H140 Q141 E144 L145 A148 | L108-L136 HydrophobicContact CD1-CD2 4.25Å; L108-L136 HydrophobicContact CD1-CG 4.28Å; L108-L136 HydrophobicContact CD2-CD2 3.78Å; L108-L136 HydrophobicContact CG-CD2 4.36Å; Y132-L136 HydrophobicContact CD1-CD1 4.23Å; Y132-L136 HydrophobicContact CD2-CD1 4.32Å; Y132-L136 HydrophobicContact CD2-CG 4.32Å; Y132-L136 HydrophobicContact CE1-CD1 3.78Å; Y132-L136 HydrophobicContact CE2-CD1 3.85Å; Y132-L136 HydrophobicContact CE2-CD2 4.18Å; Y132-L136 HydrophobicContact CE2-CG 3.91Å; Y132-L136 HydrophobicContact CG-CD1 4.47Å; Y132-L136 WeakPolarHBondContact O-CG 3.49Å; Y132-L136 PolarHBondContact O-N 2.84Å; L133-L136 PolarHBondContact O-N 3.44Å; Q134-L136 PolarHBondContact O-N 3.25Å; L136-E139 PolarHBondContact O-N 2.81Å; L136-H140 PolarHBondContact O-N 3Å; L136-Q141 HydrophobicContact CD2-CB 3.75Å; L136-Q141 HydrophobicContact CD2-CG 4.44Å; L136-Q141 VanDerWaalsContact CD2-OE1 3.32Å; L136-Q141 PolarHBondContact O-N 3.08Å; L136-E144 HydrophobicContact CD1-CG 4.12Å; L136-E144 HydrophobicContact CD2-CB 3.98Å; L136-E144 HydrophobicContact CD2-CG 3.64Å; L136-L145 HydrophobicContact CB-CB 4.04Å; L136-L145 HydrophobicContact CB-CD1 4.02Å; L136-A148 HydrophobicContact CD1-CB 3.81Å |
| 137 | S | 86.3 | Confident | 86 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | L133 Q134 Q135 E139 H140 Q192 | L133-S137 PolarHBondContact O-N 3.04Å; Q134-S137 WeakPolarHBondContact O-CB 3.26Å; Q134-S137 PolarHBondContact O-N 3.02Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; S137-E139 VanDerWaalsContact C-N 3.28Å; S137-E139 PolarHBondContact O-N 3.18Å; S137-H140 PolarHBondContact O-N 3.43Å; S137-Q192 WeakPolarHBondContact OG-CG 3.41Å; S137-Q192 PolarHBondContact OG-NE2 3.4Å |
| 138 | E | 89.1 | Confident | 85.6 | Confident | 109 Ų | 109 | 43.7 Ų | 43.7 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -32 | 178.7 | -73.4 | 172 | -174.5 | 0 | 0 | 112.7 | Q134 Q135 H140 | Q134-E138 PolarHBondContact NE2-OE1 3.35Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 3.47Å; Q135-E138 PolarHBondContact O-N 3.43Å; E138-H140 VanDerWaalsContact C-N 3.31Å |
| 139 | E | 89.7 | Confident | 84.7 | Confident | 86 Ų | 86 | 41.6 Ų | 41.6 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.7 | 178.4 | -66.3 | -67.6 | 138.8 | 0 | 0 | 113.3 | T104 Q135 L136 S137 Q141 | T104-E139 HydrophobicContact CG2-CG 3.83Å; T104-E139 WeakPolarHBondContact CG2-OE1 3.42Å; Q135-E139 WeakPolarHBondContact O-CB 3.32Å; Q135-E139 VanDerWaalsContact O-CG 3.3Å; Q135-E139 WeakPolarHBondContact O-CG 3.42Å; Q135-E139 PolarHBondContact O-N 3.45Å; Q135-E139 VanDerWaalsContact O-N 3.08Å; L136-E139 PolarHBondContact O-N 2.81Å; S137-E139 VanDerWaalsContact C-N 3.28Å; S137-E139 PolarHBondContact O-N 3.18Å; E139-Q141 HydrophobicContact CB-CG 4.04Å; E139-Q141 PolarHBondContact O-N 3Å |
| 140 | H | 87 | Confident | 83.9 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 71% | 0.708 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38 | -177.6 | -58 | -70.2 | 0 | 0 | 0 | 113 | L136 S137 E138 D142 | L136-H140 PolarHBondContact O-N 3Å; S137-H140 PolarHBondContact O-N 3.43Å; E138-H140 VanDerWaalsContact C-N 3.31Å; H140-D142 PolarHBondContact O-N 2.88Å |
| 141 | Q | 85.1 | Confident | 83.1 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | trans | -89.5 | 61.2 | 176.5 | -65.3 | -164.9 | -1.9 | 0 | 0 | 110.7 | L136 E139 E143 E144 L145 | L136-Q141 HydrophobicContact CD2-CB 3.75Å; L136-Q141 HydrophobicContact CD2-CG 4.44Å; L136-Q141 VanDerWaalsContact CD2-OE1 3.32Å; L136-Q141 PolarHBondContact O-N 3.08Å; E139-Q141 HydrophobicContact CB-CG 4.04Å; E139-Q141 PolarHBondContact O-N 3Å; Q141-E143 PolarHBondContact O-N 3.11Å; Q141-E144 HydrophobicContact CB-CB 4.34Å; Q141-E144 PolarHBondContact O-N 3.41Å; Q141-E144 VanDerWaalsContact O-N 3.14Å; Q141-L145 WeakPolarHBondContact O-CB 3.3Å; Q141-L145 PolarHBondContact O-N 3.46Å | ||
| 142 | D | 79.5 | Confident | 82.3 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | -167.5 | -64.5 | -23.7 | 0 | 0 | 0 | 113.8 | H140 E144 L145 I146 A196 L200 | H140-D142 PolarHBondContact O-N 2.88Å; D142-E144 PolarHBondContact O-N 2.7Å; D142-L145 PolarHBondContact O-N 3.42Å; D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.27Å; D142-I146 PolarHBondContact O-N 3.11Å; D142-A196 HydrophobicContact CB-CB 3.59Å; D142-L200 HydrophobicContact CB-CD2 4.42Å; D142-L200 HydrophobicContact CB-CG 4.21Å |
| 143 | E | 78.7 | Confident | 80.9 | Confident | 94 Ų | 94 | 44.4 Ų | 44.4 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.5 | -174.6 | 173.1 | -155 | 0 | 0 | 111.6 | Q141 I146 L147 L200 R205 | Q141-E143 PolarHBondContact O-N 3.11Å; E143-I146 PolarHBondContact O-N 2.91Å; E143-L147 HydrophobicContact CG-CD1 4.27Å; E143-L147 VanDerWaalsContact O-CG 3.27Å; E143-L147 WeakPolarHBondContact O-CG 3.08Å; E143-L147 PolarHBondContact O-N 2.83Å; E143-L147 VanDerWaalsContact O-N 3.09Å; E143-L200 HydrophobicContact CB-CD1 4.21Å; E143-R205 IonicContact OE1-NH1 2.98Å; E143-R205 PolarHBondContact OE1-NH1 3.31Å |
| 144 | E | 83.7 | Confident | 79.3 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.5 | -33.9 | 178.9 | -174 | 73.8 | -143.8 | 0 | 0 | 111.4 | K112 Y132 L136 Q141 D142 L147 A148 | K112-E144 WeakPolarHBondContact CE-OE1 3.49Å; K112-E144 VanDerWaalsContact NZ-CD 3.28Å; K112-E144 IonicContact NZ-OE1 3.19Å; K112-E144 PolarHBondContact NZ-OE1 2.97Å; K112-E144 IonicContact NZ-OE2 2.66Å; K112-E144 PolarHBondContact NZ-OE2 3.49Å; Y132-E144 PolarHBondContact OH-OE1 3.42Å; L136-E144 HydrophobicContact CD1-CG 4.12Å; L136-E144 HydrophobicContact CD2-CB 3.98Å; L136-E144 HydrophobicContact CD2-CG 3.64Å; Q141-E144 HydrophobicContact CB-CB 4.34Å; Q141-E144 PolarHBondContact O-N 3.41Å; Q141-E144 VanDerWaalsContact O-N 3.14Å; D142-E144 PolarHBondContact O-N 2.7Å; E144-L147 PolarHBondContact O-N 2.81Å; E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 3.32Å |
| 145 | L | 82.2 | Confident | 77.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 173.9 | 177.1 | 62.4 | 0 | 0 | 0 | 111.5 | L133 L136 Q141 D142 T149 Q192 V193 A196 | L133-L145 HydrophobicContact CB-CD1 4.1Å; L133-L145 HydrophobicContact CD2-CD1 3.97Å; L133-L145 WeakPolarHBondContact O-CD1 3.4Å; L136-L145 HydrophobicContact CB-CB 4.04Å; L136-L145 HydrophobicContact CB-CD1 4.02Å; Q141-L145 WeakPolarHBondContact O-CB 3.3Å; Q141-L145 PolarHBondContact O-N 3.46Å; D142-L145 PolarHBondContact O-N 3.42Å; L145-T149 VanDerWaalsContact O-CB 3.26Å; L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.49Å; L145-T149 PolarHBondContact O-OG1 3.03Å; L145-Q192 HydrophobicContact CD2-CB 4.07Å; L145-V193 HydrophobicContact CG-CG2 4.3Å; L145-A196 HydrophobicContact CD2-CB 4.13Å |
| 146 | I | 71.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 176.9 | -68.3 | 165.2 | 0 | 0 | 0 | 109.9 | D142 E143 A148 T149 C150 V193 A196 W197 L200 Y209 | D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.27Å; D142-I146 PolarHBondContact O-N 3.11Å; E143-I146 PolarHBondContact O-N 2.91Å; I146-A148 PolarHBondContact O-N 3.14Å; I146-T149 PolarHBondContact O-N 3.18Å; I146-C150 PolarHBondContact O-N 3.44Å; I146-C150 PolarHBondContact O-SG 3.31Å; I146-C150 VanDerWaalsContact O-SG 3.37Å; I146-V193 HydrophobicContact CG1-CG1 4.39Å; I146-A196 HydrophobicContact CD1-CB 4.03Å; I146-A196 HydrophobicContact CG1-CB 3.95Å; I146-W197 HydrophobicContact CD1-CB 4.45Å; I146-W197 HydrophobicContact CD1-CD2 4Å; I146-W197 HydrophobicContact CD1-CG 3.88Å; I146-W197 HydrophobicContact CD1-CZ2 4.48Å; I146-W197 HydrophobicContact CG1-CG 4.34Å; I146-W197 HydrophobicContact CG2-CH2 4.38Å; I146-W197 HydrophobicContact CG2-CZ2 3.47Å; I146-W197 VanDerWaalsContact CG2-CZ2 3.47Å; I146-L200 HydrophobicContact CD1-CD1 3.58Å; I146-Y209 HydrophobicContact CG2-CD2 4.46Å; I146-Y209 HydrophobicContact CG2-CE2 4.19Å |
| 147 | L | 75.9 | Confident | 72.9 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | -179.9 | -72.2 | 172.4 | 0 | 0 | 0 | 112.2 | E143 E144 C150 A151 Y209 | E143-L147 HydrophobicContact CG-CD1 4.27Å; E143-L147 VanDerWaalsContact O-CG 3.27Å; E143-L147 WeakPolarHBondContact O-CG 3.08Å; E143-L147 PolarHBondContact O-N 2.83Å; E143-L147 VanDerWaalsContact O-N 3.09Å; E144-L147 PolarHBondContact O-N 2.81Å; L147-C150 PolarHBondContact O-N 3.35Å; L147-A151 VanDerWaalsContact O-CB 3.27Å; L147-A151 WeakPolarHBondContact O-CB 3.16Å; L147-A151 PolarHBondContact O-N 2.94Å; L147-Y209 HydrophobicContact CD2-CD1 4.35Å; L147-Y209 HydrophobicContact CD2-CE1 3.36Å; L147-Y209 WeakPolarHBondContact CD2-OH 3.23Å |
| 148 | A | 80.3 | Confident | 70.7 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y132 L133 L136 E144 I146 A151 F152 | Y132-A148 HydrophobicContact CD1-CB 4.27Å; Y132-A148 HydrophobicContact CE1-CB 3.67Å; L133-A148 HydrophobicContact CD2-CB 3.73Å; L136-A148 HydrophobicContact CD1-CB 3.81Å; E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 3.32Å; I146-A148 PolarHBondContact O-N 3.14Å; A148-A151 PolarHBondContact O-N 3.38Å; A148-F152 HydrophobicContact CB-CD2 4.22Å; A148-F152 HydrophobicContact CB-CE2 4.14Å; A148-F152 WeakPolarHBondContact O-CD2 3.26Å; A148-F152 PolarHBondContact O-N 2.97Å |
| 149 | T | 74.1 | Confident | 68.3 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -56.8 | 175 | -61.2 | 0 | 0 | 0 | 0 | 110 | L145 I146 A151 F152 T153 I155 V193 | L145-T149 VanDerWaalsContact O-CB 3.26Å; L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.49Å; L145-T149 PolarHBondContact O-OG1 3.03Å; I146-T149 PolarHBondContact O-N 3.18Å; T149-A151 PolarHBondContact O-N 3.23Å; T149-A151 VanDerWaalsContact O-N 3.12Å; T149-F152 PolarHBondContact O-N 3.26Å; T149-T153 VanDerWaalsContact CG2-OG1 3.23Å; T149-T153 WeakPolarHBondContact CG2-OG1 3.12Å; T149-T153 CarbonylContact O-C 3.55Å; T149-T153 WeakPolarHBondContact O-CA 3.44Å; T149-T153 PolarHBondContact O-N 3.2Å; T149-T153 PolarHBondContact O-OG1 3.12Å; T149-I155 HydrophobicContact CG2-CD1 3.2Å; T149-I155 HydrophobicContact CG2-CG1 3.94Å; T149-V193 HydrophobicContact CG2-CG1 4.39Å; T149-V193 HydrophobicContact CG2-CG2 3.57Å; T149-V193 WeakPolarHBondContact OG1-CG2 3.26Å |
| 150 | C | 69.2 | Low | 65.8 | Low | 51 Ų | 51 | 57.6 Ų | 57.6 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.8 | -33.3 | 179 | -67 | 0 | 0 | 0 | 0 | 112.9 | I146 L147 | I146-C150 PolarHBondContact O-N 3.44Å; I146-C150 PolarHBondContact O-SG 3.31Å; I146-C150 VanDerWaalsContact O-SG 3.37Å; L147-C150 PolarHBondContact O-N 3.35Å |
| 151 | A | 72.1 | Confident | 63.4 | Low | 62 Ų | 62 | 52.4 Ų | 52.4 | 51% | 0.512 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.9 | -34.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L147 A148 T149 | L147-A151 VanDerWaalsContact O-CB 3.27Å; L147-A151 WeakPolarHBondContact O-CB 3.16Å; L147-A151 PolarHBondContact O-N 2.94Å; A148-A151 PolarHBondContact O-N 3.38Å; T149-A151 PolarHBondContact O-N 3.23Å; T149-A151 VanDerWaalsContact O-N 3.12Å |
| 152 | F | 74.4 | Confident | 61 | Low | 30 Ų | 30 | 56 Ų | 56 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -110.5 | -22.6 | -172.1 | -57.8 | -52.4 | 0 | 0 | 0 | 113.8 | V115 I116 H119 I129 Y132 A148 T149 | V115-F152 HydrophobicContact CG1-CD1 4.13Å; V115-F152 HydrophobicContact CG1-CD2 4.09Å; V115-F152 HydrophobicContact CG1-CE1 3.88Å; V115-F152 HydrophobicContact CG1-CE2 3.85Å; V115-F152 HydrophobicContact CG1-CG 4.24Å; V115-F152 HydrophobicContact CG1-CZ 3.75Å; I116-F152 HydrophobicContact CG1-CE1 4.3Å; I116-F152 HydrophobicContact CG1-CZ 3.75Å; H119-F152 HydrophobicContact CB-CD1 4.37Å; H119-F152 HydrophobicContact CB-CE1 4.44Å; I129-F152 HydrophobicContact CD1-CB 4.21Å; I129-F152 HydrophobicContact CG1-CB 4.38Å; I129-F152 HydrophobicContact CG1-CG 4.46Å; I129-F152 HydrophobicContact CG2-CB 3.93Å; Y132-F152 HydrophobicContact CD1-CE2 4.16Å; Y132-F152 HydrophobicContact CE1-CE2 4.03Å; A148-F152 HydrophobicContact CB-CD2 4.22Å; A148-F152 HydrophobicContact CB-CE2 4.14Å; A148-F152 WeakPolarHBondContact O-CD2 3.26Å; A148-F152 PolarHBondContact O-N 2.97Å; T149-F152 PolarHBondContact O-N 3.26Å |
| 153 | T | 63.7 | Low | 58.8 | Low | 17 Ų | 17 | 61.3 Ų | 61.3 | 10% | 0.104 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -126.3 | 114.5 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 107.9 | I129 T149 I155 Y185 | I129-T153 HydrophobicContact CG2-CG2 4.5Å; T149-T153 VanDerWaalsContact CG2-OG1 3.23Å; T149-T153 WeakPolarHBondContact CG2-OG1 3.12Å; T149-T153 CarbonylContact O-C 3.55Å; T149-T153 WeakPolarHBondContact O-CA 3.44Å; T149-T153 PolarHBondContact O-N 3.2Å; T149-T153 PolarHBondContact O-OG1 3.12Å; T153-I155 VanDerWaalsContact C-N 3.26Å; T153-I155 PolarHBondContact O-N 2.97Å; T153-Y185 VanDerWaalsContact CB-CE2 3.46Å; T153-Y185 HydrophobicContact CG2-CD2 4.01Å; T153-Y185 HydrophobicContact CG2-CE2 3.36Å; T153-Y185 PolarHBondContact OG1-OH 3.31Å |
| 154 | P | 53 | Low | 56.8 | Low | 93 Ų | 93 | 60.7 Ų | 60.7 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | trans | -71 | 86.7 | -178.2 | 27.5 | -32 | 0 | 0 | 0 | 108.9 | P182 | P154-P182 HydrophobicContact CG-CG 3.91Å; P154-P182 WeakPolarHBondContact O-CD 3.43Å | ||
| 155 | I | 48 | Very low | 54.3 | Low | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | trans | -95.6 | 105.7 | 173.3 | -53.8 | -170.2 | 0 | 0 | 0 | 107.7 | T149 T153 I157 V179 T181 Y185 | T149-I155 HydrophobicContact CG2-CD1 3.2Å; T149-I155 HydrophobicContact CG2-CG1 3.94Å; T153-I155 VanDerWaalsContact C-N 3.26Å; T153-I155 PolarHBondContact O-N 2.97Å; I155-I157 HydrophobicContact CG2-CD1 4.2Å; I155-I157 HydrophobicContact CG2-CG1 3.73Å; I155-V179 HydrophobicContact CG2-CG1 3.24Å; I155-T181 HydrophobicContact CG2-CG2 4.43Å; I155-Y185 HydrophobicContact CD1-CD1 4.34Å; I155-Y185 HydrophobicContact CD1-CE1 3.49Å; I155-Y185 VanDerWaalsContact CD1-CE1 3.49Å; I155-Y185 HydrophobicContact CG1-CE1 4.25Å | ||
| 156 | E | 43.2 | Very low | 52.1 | Low | 101 Ų | 101 | 65.3 Ų | 65.3 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 100.1 | 171.2 | -71.7 | -178.4 | -164.6 | 0 | 0 | 109.2 | F158 Q180 | E156-F158 HydrophobicContact CB-CE2 3.73Å; E156-F158 HydrophobicContact CB-CZ 4.11Å; E156-F158 VanDerWaalsContact OE2-CZ 3.31Å; E156-F158 WeakPolarHBondContact OE2-CZ 3.09Å; E156-Q180 HydrophobicContact CB-CB 4.03Å; E156-Q180 PolarHBondContact N-O 3.39Å; E156-Q180 PolarHBondContact O-N 3.34Å; E156-Q180 PolarHBondContact OE2-OE1 2.85Å |
| 157 | I | 44.6 | Very low | 50 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.9 | 174.6 | -60.4 | 159.5 | 0 | 0 | 0 | 108.3 | I155 I176 K178 V179 Y210 | I155-I157 HydrophobicContact CG2-CD1 4.2Å; I155-I157 HydrophobicContact CG2-CG1 3.73Å; I157-I176 HydrophobicContact CG2-CG2 3.53Å; I157-K178 CarbonylContact C-O 3.45Å; I157-K178 VanDerWaalsContact CA-O 3.29Å; I157-K178 WeakPolarHBondContact CA-O 3.46Å; I157-V179 HydrophobicContact CB-CG2 4.47Å; I157-V179 HydrophobicContact CG1-CB 4.29Å; I157-V179 HydrophobicContact CG1-CG1 3.61Å; I157-V179 HydrophobicContact CG1-CG2 3.91Å; I157-V179 HydrophobicContact CG2-CG2 4.43Å; I157-Y210 HydrophobicContact CB-CE1 3.59Å; I157-Y210 WeakPolarHBondContact CB-OH 3.36Å; I157-Y210 HydrophobicContact CG1-CE1 4.46Å; I157-Y210 WeakPolarHBondContact CG2-OH 3.45Å; I157-Y210 WeakPolarHBondContact O-CD1 3.39Å; I157-Y210 WeakPolarHBondContact O-CE1 3.48Å; I157-Y210 WeakPolarHBondContact O-CE2 3.41Å; I157-Y210 PolarHBondContact O-OH 3.46Å |
| 158 | F | 39.7 | Very low | 48 | Very low | 80 Ų | 80 | 69.4 Ų | 69.4 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143 | 174.2 | -55.9 | -97.3 | 0 | 0 | 0 | 110.1 | E156 D177 K178 Q180 | E156-F158 HydrophobicContact CB-CE2 3.73Å; E156-F158 HydrophobicContact CB-CZ 4.11Å; E156-F158 VanDerWaalsContact OE2-CZ 3.31Å; E156-F158 WeakPolarHBondContact OE2-CZ 3.09Å; F158-D177 CarbonylContact O-C 3.59Å; F158-D177 WeakPolarHBondContact O-CB 3.44Å; F158-K178 HydrophobicContact CB-CB 3.99Å; F158-K178 HydrophobicContact CD2-CB 4.26Å; F158-K178 HydrophobicContact CD2-CD 4.06Å; F158-K178 HydrophobicContact CD2-CG 4.48Å; F158-K178 PolarHBondContact N-O 2.98Å; F158-K178 PolarHBondContact O-N 2.95Å; F158-Q180 HydrophobicContact CE2-CB 4.29Å; F158-Q180 HydrophobicContact CE2-CG 4.08Å |
| 159 | S | 38.5 | Very low | 45.9 | Very low | 75 Ų | 75 | 75 Ų | 75 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | trans | -106.8 | 75.9 | 173.8 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | D177 | S159-D177 WeakPolarHBondContact CA-OD2 3.48Š| ||
| 160 | H | 37.1 | Very low | 44 | Very low | 172 Ų | 172 | 80.1 Ų | 80.1 | 80% | 0.796 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -138.4 | 64.7 | 171.6 | -67.8 | 89.4 | 0 | 0 | 0 | 116 | D177 | H160-D177 VanDerWaalsContact N-CG 3.32Å; H160-D177 PolarHBondContact N-OD2 3.4Å |
| 161 | G | 36.8 | Very low | 42.3 | Very low | 44 Ų | 44 | 80.1 Ų | 80.1 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 84.6 | 31.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | R175 D177 | G161-R175 PolarHBondContact O-NH2 3.49Å; G161-D177 VanDerWaalsContact CA-OD1 3.23Å; G161-D177 WeakPolarHBondContact CA-OD1 3.27Å; G161-D177 VanDerWaalsContact N-CB 3.26Å; G161-D177 PolarHBondContact N-OD1 2.9Å; G161-D177 PolarHBondContact N-OD2 2.75Å |
| 162 | Q | 35.1 | Very low | 40.7 | Very low | 148 Ų | 148 | 88.8 Ų | 88.8 | 69% | 0.692 | 47% | 0.468 | S | S | * | . | trans | -131.7 | 156.3 | 169.8 | -73.2 | -166.7 | -15.5 | 0 | 0 | 113.7 | R175 D177 | Q162-R175 WeakPolarHBondContact O-CG 3.27Å; Q162-R175 PolarHBondContact O-NE 3.09Å; Q162-D177 PolarHBondContact N-OD1 3.31Å; Q162-D177 VanDerWaalsContact N-OD1 3.07Å; Q162-D177 WeakPolarHBondContact O-CA 3.44Å | ||
| 163 | H | 32.4 | Very low | 39.2 | Very low | 142 Ų | 142 | 90.8 Ų | 90.8 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | trans | -89.7 | 119.4 | -165.3 | -111.6 | -89.5 | 0 | 0 | 0 | 112.1 | ||||
| 164 | V | 37.6 | Very low | 38.1 | Very low | 81 Ų | 81 | 92.3 Ų | 92.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | trans | -122.2 | 127.7 | 154.9 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 165 | E | 30.2 | Very low | 37.8 | Very low | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -99.9 | 111.1 | -178 | -166.8 | 172.3 | -160 | 0 | 0 | 109.1 | T167 | E165-T167 HydrophobicContact CG-CG2 4.38Š| ||
| 166 | V | 37.5 | Very low | 37.9 | Very low | 19 Ų | 19 | 94 Ų | 94 | 12% | 0.115 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.4 | 171.7 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | V194 | V166-V194 HydrophobicContact CB-CG1 4.49Å; V166-V194 HydrophobicContact CG1-CG1 4.36Å; V166-V194 HydrophobicContact CG2-CG1 4.07Å |
| 167 | T | 26.9 | Very low | 38.1 | Very low | 120 Ų | 120 | 91 Ų | 91 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.2 | 174.7 | 42.1 | 0 | 0 | 0 | 0 | 109.6 | E165 | E165-T167 HydrophobicContact CG-CG2 4.38Å |
| 168 | S | 34.8 | Very low | 38.1 | Very low | 34 Ų | 34 | 94.9 Ų | 94.9 | 24% | 0.238 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.8 | 165.6 | 161.4 | 0 | 0 | 0 | 0 | 107.5 | N170 F171 | S168-N170 PolarHBondContact O-N 3.37Å; S168-F171 PolarHBondContact O-N 2.95Å; S168-F171 VanDerWaalsContact O-N 3.14Å |
| 169 | S | 34.9 | Very low | 38.6 | Very low | 121 Ų | 121 | 92.9 Ų | 92.9 | 85% | 0.846 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -20.6 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 170 | N | 34.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 93.2 Ų | 93.2 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -9.7 | -173.4 | -61.9 | -11.3 | 0 | 0 | 0 | 114.1 | S168 | S168-N170 PolarHBondContact O-N 3.37Š|
| 171 | F | 33.6 | Very low | 39.8 | Very low | 50 Ų | 50 | 87.6 Ų | 87.6 | 22% | 0.219 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134 | -172.5 | -65.5 | -83.5 | 0 | 0 | 0 | 112.2 | S168 L198 E199 | S168-F171 PolarHBondContact O-N 2.95Å; S168-F171 VanDerWaalsContact O-N 3.14Å; F171-L198 HydrophobicContact CD1-CB 4.38Å; F171-L198 HydrophobicContact CD1-CD2 3.9Å; F171-L198 HydrophobicContact CD2-CB 4.23Å; F171-L198 HydrophobicContact CE1-CB 4.08Å; F171-L198 HydrophobicContact CE1-CD2 4.18Å; F171-L198 HydrophobicContact CE2-CB 3.92Å; F171-L198 HydrophobicContact CG-CB 4.45Å; F171-L198 HydrophobicContact CG-CD2 4.23Å; F171-L198 HydrophobicContact CZ-CB 3.85Å; F171-L198 WeakPolarHBondContact CZ-O 3.31Å; F171-E199 HydrophobicContact CE2-CG 4.28Å; F171-E199 WeakPolarHBondContact CE2-OE1 2.91Å; F171-E199 HydrophobicContact CZ-CG 4.49Å |
| 172 | R | 39.2 | Very low | 40.6 | Very low | 245 Ų | 245 | 87.2 Ų | 87.2 | 93% | 0.925 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126 | 156.4 | -73.7 | -178.4 | 177.5 | -178 | -1.2 | 106.5 | ||
| 173 | S | 42.3 | Very low | 41.7 | Very low | 72 Ų | 72 | 86.6 Ų | 86.6 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -24.4 | 128.6 | -172.3 | 50.5 | 0 | 0 | 0 | 0 | 116.8 | ||
| 174 | L | 41.2 | Very low | 43 | Very low | 49 Ų | 49 | 86.1 Ų | 86.1 | 26% | 0.257 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.4 | 166.6 | -169.6 | 84.8 | 0 | 0 | 0 | 109.5 | I176 L198 F203 | L174-I176 HydrophobicContact CD2-CD1 4.33Å; L174-I176 HydrophobicContact CD2-CG1 4.08Å; L174-L198 HydrophobicContact CB-CD1 4.09Å; L174-L198 HydrophobicContact CB-CD2 3.7Å; L174-L198 HydrophobicContact CB-CG 4.31Å; L174-L198 HydrophobicContact CD1-CD2 3.97Å; L174-L198 HydrophobicContact CD2-CD1 4.38Å; L174-L198 HydrophobicContact CD2-CD2 3.83Å; L174-L198 HydrophobicContact CD2-CG 4Å; L174-L198 HydrophobicContact CG-CD2 4Å; L174-F203 HydrophobicContact CD1-CD1 4.32Å; L174-F203 HydrophobicContact CD1-CE1 3.62Å; L174-F203 HydrophobicContact CD1-CZ 3.97Å; L174-F203 HydrophobicContact CD2-CD1 4.37Å; L174-F203 HydrophobicContact CD2-CE1 3.81Å; L174-F203 HydrophobicContact CG-CE1 4.35Å |
| 175 | R | 45.5 | Very low | 44 | Very low | 121 Ų | 121 | 83.2 Ų | 83.2 | 46% | 0.457 | 44% | 0.44 | S | S | . | . | trans | -96.5 | 120.1 | 177.9 | -176.3 | 176.1 | 178.4 | 165.6 | 0.3 | 110.1 | G161 Q162 D177 | G161-R175 PolarHBondContact O-NH2 3.49Å; Q162-R175 WeakPolarHBondContact O-CG 3.27Å; Q162-R175 PolarHBondContact O-NE 3.09Å; R175-D177 IonicContact NE-OD1 3.47Å; R175-D177 PolarHBondContact NE-OD1 3.5Å | ||
| 176 | I | 50.8 | Low | 45.6 | Very low | 26 Ų | 26 | 79.1 Ų | 79.1 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | trans | -113.4 | 120.3 | 172.3 | -60.1 | 176.8 | 0 | 0 | 0 | 107.4 | I157 L174 V179 V194 | I157-I176 HydrophobicContact CG2-CG2 3.53Å; L174-I176 HydrophobicContact CD2-CD1 4.33Å; L174-I176 HydrophobicContact CD2-CG1 4.08Å; I176-V179 HydrophobicContact CG2-CG2 3.55Å; I176-V194 HydrophobicContact CD1-CB 3.96Å; I176-V194 HydrophobicContact CD1-CG1 3.44Å; I176-V194 VanDerWaalsContact CD1-CG1 3.44Å; I176-V194 HydrophobicContact CD1-CG2 3.23Å | ||
| 177 | D | 47.1 | Very low | 46.9 | Very low | 36 Ų | 36 | 82.9 Ų | 82.9 | 19% | 0.193 | 45% | 0.45 | C | S | . | . | trans | -79.8 | -30.7 | -161.4 | -63.1 | -54.7 | 0 | 0 | 0 | 114.7 | F158 S159 H160 G161 Q162 R175 | F158-D177 CarbonylContact O-C 3.59Å; F158-D177 WeakPolarHBondContact O-CB 3.44Å; S159-D177 WeakPolarHBondContact CA-OD2 3.48Å; H160-D177 VanDerWaalsContact N-CG 3.32Å; H160-D177 PolarHBondContact N-OD2 3.4Å; G161-D177 VanDerWaalsContact CA-OD1 3.23Å; G161-D177 WeakPolarHBondContact CA-OD1 3.27Å; G161-D177 VanDerWaalsContact N-CB 3.26Å; G161-D177 PolarHBondContact N-OD1 2.9Å; G161-D177 PolarHBondContact N-OD2 2.75Å; Q162-D177 PolarHBondContact N-OD1 3.31Å; Q162-D177 VanDerWaalsContact N-OD1 3.07Å; Q162-D177 WeakPolarHBondContact O-CA 3.44Å; R175-D177 IonicContact NE-OD1 3.47Å; R175-D177 PolarHBondContact NE-OD1 3.5Å | ||
| 178 | K | 43.9 | Very low | 48.7 | Very low | 108 Ų | 108 | 81.8 Ų | 81.8 | 47% | 0.47 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 139.1 | 169.6 | -159.5 | -178.3 | 179.8 | -171.3 | 0 | 108.1 | I157 F158 | I157-K178 CarbonylContact C-O 3.45Å; I157-K178 VanDerWaalsContact CA-O 3.29Å; I157-K178 WeakPolarHBondContact CA-O 3.46Å; F158-K178 HydrophobicContact CB-CB 3.99Å; F158-K178 HydrophobicContact CD2-CB 4.26Å; F158-K178 HydrophobicContact CD2-CD 4.06Å; F158-K178 HydrophobicContact CD2-CG 4.48Å; F158-K178 PolarHBondContact N-O 2.98Å; F158-K178 PolarHBondContact O-N 2.95Å |
| 179 | V | 51.8 | Low | 50.3 | Low | 39 Ų | 39 | 81.8 Ų | 81.8 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113 | 161.7 | -166.6 | 0 | 0 | 0 | 0 | 107.2 | I155 I157 I176 T181 L190 | I155-V179 HydrophobicContact CG2-CG1 3.24Å; I157-V179 HydrophobicContact CB-CG2 4.47Å; I157-V179 HydrophobicContact CG1-CB 4.29Å; I157-V179 HydrophobicContact CG1-CG1 3.61Å; I157-V179 HydrophobicContact CG1-CG2 3.91Å; I157-V179 HydrophobicContact CG2-CG2 4.43Å; I176-V179 HydrophobicContact CG2-CG2 3.55Å; V179-T181 HydrophobicContact CG1-CG2 3.75Å; V179-T181 PolarHBondContact O-N 3.16Å; V179-L190 HydrophobicContact CB-CD1 3.61Å; V179-L190 HydrophobicContact CG1-CD1 3.31Å; V179-L190 HydrophobicContact CG1-CG 4.37Å; V179-L190 HydrophobicContact CG2-CD1 3.97Å |
| 180 | Q | 49.2 | Very low | 51.7 | Low | 82 Ų | 82 | 77.8 Ų | 77.8 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106.8 | 162.9 | -81.4 | -177.5 | -15.7 | 0 | 0 | 106.7 | E156 F158 | E156-Q180 HydrophobicContact CB-CB 4.03Å; E156-Q180 PolarHBondContact N-O 3.39Å; E156-Q180 PolarHBondContact O-N 3.34Å; E156-Q180 PolarHBondContact OE2-OE1 2.85Å; F158-Q180 HydrophobicContact CE2-CB 4.29Å; F158-Q180 HydrophobicContact CE2-CG 4.08Å |
| 181 | T | 51.5 | Low | 53.2 | Low | 53 Ų | 53 | 77.7 Ų | 77.7 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | trans | -102.7 | 153.7 | 165.1 | 62.3 | 0 | 0 | 0 | 0 | 108.9 | I155 V179 Y185 L190 | I155-T181 HydrophobicContact CG2-CG2 4.43Å; V179-T181 HydrophobicContact CG1-CG2 3.75Å; V179-T181 PolarHBondContact O-N 3.16Å; T181-Y185 HydrophobicContact CG2-CD1 3.76Å; T181-Y185 HydrophobicContact CG2-CG 4.38Å; T181-L190 HydrophobicContact CG2-CD1 3.28Å | ||
| 182 | P | 53.1 | Low | 54.9 | Low | 37 Ų | 37 | 76.6 Ų | 76.6 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | trans | -48.7 | 145.5 | 159.9 | -26.1 | 35.6 | 0 | 0 | 0 | 110.4 | P154 D184 Y185 | P154-P182 HydrophobicContact CG-CG 3.91Å; P154-P182 WeakPolarHBondContact O-CD 3.43Å; P182-D184 WeakPolarHBondContact CB-OD1 3.3Å; P182-D184 PolarHBondContact O-N 3.03Å; P182-D184 VanDerWaalsContact O-N 3.11Å; P182-Y185 VanDerWaalsContact O-CB 3.27Å; P182-Y185 WeakPolarHBondContact O-CB 3.16Å; P182-Y185 PolarHBondContact O-N 3.03Å | ||
| 183 | S | 57.6 | Low | 56.3 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 94% | 0.937 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.6 | -176.6 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 184 | D | 60.3 | Low | 57.4 | Low | 132 Ų | 132 | 61.7 Ų | 61.7 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.4 | 179.3 | 58.6 | -28.1 | 0 | 0 | 0 | 113.2 | P182 P186 | P182-D184 WeakPolarHBondContact CB-OD1 3.3Å; P182-D184 PolarHBondContact O-N 3.03Å; P182-D184 VanDerWaalsContact O-N 3.11Å; D184-P186 VanDerWaalsContact O-CD 3.26Å; D184-P186 WeakPolarHBondContact O-CD 3.41Å |
| 185 | Y | 57.9 | Low | 58.7 | Low | 21 Ų | 21 | 61.6 Ų | 61.6 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | trans | -75.3 | 121.2 | -178.3 | -163.9 | -109.2 | 0 | 0 | 0 | 112 | T153 I155 T181 P182 P187 Y189 L190 | T153-Y185 VanDerWaalsContact CB-CE2 3.46Å; T153-Y185 HydrophobicContact CG2-CD2 4.01Å; T153-Y185 HydrophobicContact CG2-CE2 3.36Å; T153-Y185 PolarHBondContact OG1-OH 3.31Å; I155-Y185 HydrophobicContact CD1-CD1 4.34Å; I155-Y185 HydrophobicContact CD1-CE1 3.49Å; I155-Y185 VanDerWaalsContact CD1-CE1 3.49Å; I155-Y185 HydrophobicContact CG1-CE1 4.25Å; T181-Y185 HydrophobicContact CG2-CD1 3.76Å; T181-Y185 HydrophobicContact CG2-CG 4.38Å; P182-Y185 VanDerWaalsContact O-CB 3.27Å; P182-Y185 WeakPolarHBondContact O-CB 3.16Å; P182-Y185 PolarHBondContact O-N 3.03Å; Y185-P187 WeakPolarHBondContact O-CD 3.21Å; Y185-Y189 HydrophobicContact CE2-CD2 4.33Å; Y185-Y189 VanDerWaalsContact CZ-CB 3.49Å; Y185-Y189 WeakPolarHBondContact OH-CB 3.5Å; Y185-L190 HydrophobicContact CD1-CB 4.45Å; Y185-L190 HydrophobicContact CE1-CB 4.11Å | ||
| 186 | P | 64.7 | Low | 59.7 | Low | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | trans | -63 | 126.4 | -179.9 | -26.9 | 37.7 | 0 | 0 | 0 | 112.2 | D184 I188 Y189 | D184-P186 VanDerWaalsContact O-CD 3.26Å; D184-P186 WeakPolarHBondContact O-CD 3.41Å; P186-I188 HydrophobicContact CB-CG2 4Å; P186-I188 PolarHBondContact O-N 2.94Å; P186-Y189 HydrophobicContact CB-CD2 3.72Å; P186-Y189 HydrophobicContact CB-CE2 3.88Å; P186-Y189 HydrophobicContact CG-CD2 3.81Å; P186-Y189 HydrophobicContact CG-CE2 3.68Å; P186-Y189 PolarHBondContact O-N 3.39Å; P186-Y189 VanDerWaalsContact O-N 3.11Å | ||
| 187 | P | 63.9 | Low | 60.3 | Low | 98 Ų | 98 | 55.5 Ų | 55.5 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.6 | -27.1 | 179.9 | -28.6 | 35.1 | 0 | 0 | 0 | 114.4 | Y185 Y189 L190 M191 | Y185-P187 WeakPolarHBondContact O-CD 3.21Å; P187-Y189 VanDerWaalsContact C-N 3.34Å; P187-Y189 PolarHBondContact O-N 2.89Å; P187-L190 WeakPolarHBondContact O-CB 2.99Å; P187-L190 PolarHBondContact O-N 3.37Å; P187-M191 PolarHBondContact O-N 3.25Å |
| 188 | I | 66.1 | Low | 61.2 | Low | 96 Ų | 96 | 54 Ų | 54 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 179.4 | -167.6 | 162.2 | 0 | 0 | 0 | 112.7 | P186 M191 Q192 | P186-I188 HydrophobicContact CB-CG2 4Å; P186-I188 PolarHBondContact O-N 2.94Å; I188-M191 PolarHBondContact O-N 3.41Å; I188-Q192 WeakPolarHBondContact O-CG 3.47Å; I188-Q192 PolarHBondContact O-N 3.35Å |
| 189 | Y | 66.5 | Low | 62.2 | Low | 35 Ų | 35 | 52.5 Ų | 52.5 | 14% | 0.137 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 179.2 | -61.7 | -49.8 | 0 | 0 | 0 | 111.5 | A130 L133 Q134 Y185 P186 P187 M191 Q192 V193 | A130-Y189 HydrophobicContact CB-CE2 4.3Å; A130-Y189 VanDerWaalsContact CB-OH 3.26Å; A130-Y189 WeakPolarHBondContact CB-OH 3.31Å; A130-Y189 PolarHBondContact O-OH 3.43Å; L133-Y189 HydrophobicContact CB-CD1 4.3Å; L133-Y189 HydrophobicContact CB-CE1 4.37Å; Q134-Y189 HydrophobicContact CB-CE1 4.46Å; Y185-Y189 HydrophobicContact CE2-CD2 4.33Å; Y185-Y189 VanDerWaalsContact CZ-CB 3.49Å; Y185-Y189 WeakPolarHBondContact OH-CB 3.5Å; P186-Y189 HydrophobicContact CB-CD2 3.72Å; P186-Y189 HydrophobicContact CB-CE2 3.88Å; P186-Y189 HydrophobicContact CG-CD2 3.81Å; P186-Y189 HydrophobicContact CG-CE2 3.68Å; P186-Y189 PolarHBondContact O-N 3.39Å; P186-Y189 VanDerWaalsContact O-N 3.11Å; P187-Y189 VanDerWaalsContact C-N 3.34Å; P187-Y189 PolarHBondContact O-N 2.89Å; Y189-M191 VanDerWaalsContact C-N 3.32Å; Y189-M191 PolarHBondContact O-N 2.86Å; Y189-Q192 PolarHBondContact O-N 3.17Å; Y189-V193 WeakPolarHBondContact O-CB 3.42Å; Y189-V193 WeakPolarHBondContact O-CG2 3.3Å; Y189-V193 PolarHBondContact O-N 3.18Å |
| 190 | L | 64.9 | Low | 62.8 | Low | 36 Ų | 36 | 54.2 Ų | 54.2 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 172.2 | -176.8 | 143.9 | 0 | 0 | 0 | 110.5 | V179 T181 Y185 P187 V193 V194 | V179-L190 HydrophobicContact CB-CD1 3.61Å; V179-L190 HydrophobicContact CG1-CD1 3.31Å; V179-L190 HydrophobicContact CG1-CG 4.37Å; V179-L190 HydrophobicContact CG2-CD1 3.97Å; T181-L190 HydrophobicContact CG2-CD1 3.28Å; Y185-L190 HydrophobicContact CD1-CB 4.45Å; Y185-L190 HydrophobicContact CE1-CB 4.11Å; P187-L190 WeakPolarHBondContact O-CB 2.99Å; P187-L190 PolarHBondContact O-N 3.37Å; L190-V193 PolarHBondContact O-N 2.99Å; L190-V194 HydrophobicContact CD2-CG2 4.23Å; L190-V194 WeakPolarHBondContact O-CB 3.05Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 2.76Å |
| 191 | M | 66.6 | Low | 63.4 | Low | 109 Ų | 109 | 58.1 Ų | 58.1 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.3 | -72.6 | -176.8 | 172.5 | 0 | 0 | 112.1 | P187 I188 Y189 V193 V194 V195 | P187-M191 PolarHBondContact O-N 3.25Å; I188-M191 PolarHBondContact O-N 3.41Å; Y189-M191 VanDerWaalsContact C-N 3.32Å; Y189-M191 PolarHBondContact O-N 2.86Å; M191-V193 VanDerWaalsContact C-N 3.32Å; M191-V193 PolarHBondContact O-N 2.9Å; M191-V194 PolarHBondContact O-N 3.11Å; M191-V195 WeakPolarHBondContact O-CB 3.41Å; M191-V195 VanDerWaalsContact O-CG2 3.3Å; M191-V195 WeakPolarHBondContact O-CG2 3.39Å; M191-V195 PolarHBondContact O-N 2.98Å |
| 192 | Q | 69.3 | Low | 63.5 | Low | 26 Ų | 26 | 58.6 Ų | 58.6 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 178.6 | -73.3 | 173.1 | -16.9 | 0 | 0 | 112 | S137 L145 I188 Y189 V195 A196 | S137-Q192 WeakPolarHBondContact OG-CG 3.41Å; S137-Q192 PolarHBondContact OG-NE2 3.4Å; L145-Q192 HydrophobicContact CD2-CB 4.07Å; I188-Q192 WeakPolarHBondContact O-CG 3.47Å; I188-Q192 PolarHBondContact O-N 3.35Å; Y189-Q192 PolarHBondContact O-N 3.17Å; Q192-V195 PolarHBondContact O-N 3.01Å; Q192-A196 WeakPolarHBondContact O-CB 3.49Å; Q192-A196 PolarHBondContact O-N 3.39Å |
| 193 | V | 67.2 | Low | 63.5 | Low | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | L145 I146 T149 Y189 L190 M191 V195 A196 W197 | L145-V193 HydrophobicContact CG-CG2 4.3Å; I146-V193 HydrophobicContact CG1-CG1 4.39Å; T149-V193 HydrophobicContact CG2-CG1 4.39Å; T149-V193 HydrophobicContact CG2-CG2 3.57Å; T149-V193 WeakPolarHBondContact OG1-CG2 3.26Å; Y189-V193 WeakPolarHBondContact O-CB 3.42Å; Y189-V193 WeakPolarHBondContact O-CG2 3.3Å; Y189-V193 PolarHBondContact O-N 3.18Å; L190-V193 PolarHBondContact O-N 2.99Å; M191-V193 VanDerWaalsContact C-N 3.32Å; M191-V193 PolarHBondContact O-N 2.9Å; V193-V195 VanDerWaalsContact C-N 3.31Å; V193-V195 PolarHBondContact O-N 3.17Å; V193-A196 WeakPolarHBondContact O-CB 3.4Å; V193-A196 PolarHBondContact O-N 3.5Å; V193-A196 VanDerWaalsContact O-N 3.16Å; V193-W197 PolarHBondContact O-N 3.42Å |
| 194 | V | 67.1 | Low | 63 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | V166 I176 L190 M191 W197 L198 | V166-V194 HydrophobicContact CB-CG1 4.49Å; V166-V194 HydrophobicContact CG1-CG1 4.36Å; V166-V194 HydrophobicContact CG2-CG1 4.07Å; I176-V194 HydrophobicContact CD1-CB 3.96Å; I176-V194 HydrophobicContact CD1-CG1 3.44Å; I176-V194 VanDerWaalsContact CD1-CG1 3.44Å; I176-V194 HydrophobicContact CD1-CG2 3.23Å; L190-V194 HydrophobicContact CD2-CG2 4.23Å; L190-V194 WeakPolarHBondContact O-CB 3.05Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 2.76Å; M191-V194 PolarHBondContact O-N 3.11Å; V194-W197 WeakPolarHBondContact O-CB 3.45Å; V194-W197 PolarHBondContact O-N 3.42Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.1Å |
| 195 | V | 67.2 | Low | 62.2 | Low | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | M191 Q192 V193 W197 L198 E199 | M191-V195 WeakPolarHBondContact O-CB 3.41Å; M191-V195 VanDerWaalsContact O-CG2 3.3Å; M191-V195 WeakPolarHBondContact O-CG2 3.39Å; M191-V195 PolarHBondContact O-N 2.98Å; Q192-V195 PolarHBondContact O-N 3.01Å; V193-V195 VanDerWaalsContact C-N 3.31Å; V193-V195 PolarHBondContact O-N 3.17Å; V195-W197 VanDerWaalsContact C-N 3.32Å; V195-W197 PolarHBondContact O-N 3.14Å; V195-L198 WeakPolarHBondContact O-CB 3.5Å; V195-L198 PolarHBondContact O-N 2.93Å; V195-L198 VanDerWaalsContact O-N 3.11Å; V195-E199 HydrophobicContact CG1-CG 4.34Å; V195-E199 WeakPolarHBondContact O-CG 3.37Å; V195-E199 PolarHBondContact O-N 2.77Å |
| 196 | A | 67.1 | Low | 61.4 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D142 L145 I146 Q192 V193 L198 E199 L200 | D142-A196 HydrophobicContact CB-CB 3.59Å; L145-A196 HydrophobicContact CD2-CB 4.13Å; I146-A196 HydrophobicContact CD1-CB 4.03Å; I146-A196 HydrophobicContact CG1-CB 3.95Å; Q192-A196 WeakPolarHBondContact O-CB 3.49Å; Q192-A196 PolarHBondContact O-N 3.39Å; V193-A196 WeakPolarHBondContact O-CB 3.4Å; V193-A196 PolarHBondContact O-N 3.5Å; V193-A196 VanDerWaalsContact O-N 3.16Å; A196-L198 VanDerWaalsContact C-N 3.3Å; A196-L198 PolarHBondContact O-N 3.38Å; A196-E199 PolarHBondContact O-N 3.29Å; A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 3.23Å; A196-L200 VanDerWaalsContact O-N 3.1Å |
| 197 | W | 64.3 | Low | 60.2 | Low | 19 Ų | 19 | 63.1 Ų | 63.1 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 173.2 | -88.7 | 98.6 | 0 | 0 | 0 | 112.2 | I146 V193 V194 V195 D202 R205 A206 Y209 | I146-W197 HydrophobicContact CD1-CB 4.45Å; I146-W197 HydrophobicContact CD1-CD2 4Å; I146-W197 HydrophobicContact CD1-CG 3.88Å; I146-W197 HydrophobicContact CD1-CZ2 4.48Å; I146-W197 HydrophobicContact CG1-CG 4.34Å; I146-W197 HydrophobicContact CG2-CH2 4.38Å; I146-W197 HydrophobicContact CG2-CZ2 3.47Å; I146-W197 VanDerWaalsContact CG2-CZ2 3.47Å; V193-W197 PolarHBondContact O-N 3.42Å; V194-W197 WeakPolarHBondContact O-CB 3.45Å; V194-W197 PolarHBondContact O-N 3.42Å; V195-W197 VanDerWaalsContact C-N 3.32Å; V195-W197 PolarHBondContact O-N 3.14Å; W197-D202 WeakPolarHBondContact CZ3-O 3.45Å; W197-R205 HydrophobicContact CH2-CB 3.9Å; W197-R205 HydrophobicContact CZ3-CB 4.02Å; W197-A206 HydrophobicContact CD2-CB 4.21Å; W197-A206 HydrophobicContact CE3-CB 3.66Å; W197-A206 HydrophobicContact CH2-CB 3.54Å; W197-A206 HydrophobicContact CZ2-CB 3.96Å; W197-A206 HydrophobicContact CZ3-CB 3.31Å; W197-Y209 AromaticContact CH2-CD2 3.43Å; W197-Y209 HydrophobicContact CH2-CD2 3.43Å; W197-Y209 VanDerWaalsContact CH2-CD2 3.43Å; W197-Y209 AromaticContact CH2-CE2 3.5Å; W197-Y209 HydrophobicContact CH2-CE2 3.5Å; W197-Y209 VanDerWaalsContact CH2-CE2 3.5Å; W197-Y209 AromaticContact CZ2-CD2 3.44Å; W197-Y209 HydrophobicContact CZ2-CD2 3.44Å; W197-Y209 VanDerWaalsContact CZ2-CD2 3.44Å; W197-Y209 AromaticContact CZ2-CE2 3.75Å; W197-Y209 HydrophobicContact CZ2-CE2 3.75Å |
| 198 | L | 65 | Low | 58.9 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 179 | -82.2 | 163.6 | 0 | 0 | 0 | 112.7 | F171 L174 V194 V195 A196 L200 K201 F203 | F171-L198 HydrophobicContact CD1-CB 4.38Å; F171-L198 HydrophobicContact CD1-CD2 3.9Å; F171-L198 HydrophobicContact CD2-CB 4.23Å; F171-L198 HydrophobicContact CE1-CB 4.08Å; F171-L198 HydrophobicContact CE1-CD2 4.18Å; F171-L198 HydrophobicContact CE2-CB 3.92Å; F171-L198 HydrophobicContact CG-CB 4.45Å; F171-L198 HydrophobicContact CG-CD2 4.23Å; F171-L198 HydrophobicContact CZ-CB 3.85Å; F171-L198 WeakPolarHBondContact CZ-O 3.31Å; L174-L198 HydrophobicContact CB-CD1 4.09Å; L174-L198 HydrophobicContact CB-CD2 3.7Å; L174-L198 HydrophobicContact CB-CG 4.31Å; L174-L198 HydrophobicContact CD1-CD2 3.97Å; L174-L198 HydrophobicContact CD2-CD1 4.38Å; L174-L198 HydrophobicContact CD2-CD2 3.83Å; L174-L198 HydrophobicContact CD2-CG 4Å; L174-L198 HydrophobicContact CG-CD2 4Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.1Å; V195-L198 WeakPolarHBondContact O-CB 3.5Å; V195-L198 PolarHBondContact O-N 2.93Å; V195-L198 VanDerWaalsContact O-N 3.11Å; A196-L198 VanDerWaalsContact C-N 3.3Å; A196-L198 PolarHBondContact O-N 3.38Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 2.99Å; L198-K201 PolarHBondContact O-N 3.33Å; L198-K201 VanDerWaalsContact O-N 3.17Å; L198-F203 HydrophobicContact CD2-CE1 3.74Å; L198-F203 HydrophobicContact CD2-CZ 3.73Å; L198-F203 HydrophobicContact CG-CE1 4.35Å |
| 199 | E | 64.4 | Low | 57.7 | Low | 76 Ų | 76 | 61.7 Ų | 61.7 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 179.9 | -73.5 | -67.6 | 168.3 | 0 | 0 | 112.1 | F171 V195 A196 K201 | F171-E199 HydrophobicContact CE2-CG 4.28Å; F171-E199 WeakPolarHBondContact CE2-OE1 2.91Å; F171-E199 HydrophobicContact CZ-CG 4.49Å; V195-E199 HydrophobicContact CG1-CG 4.34Å; V195-E199 WeakPolarHBondContact O-CG 3.37Å; V195-E199 PolarHBondContact O-N 2.77Å; A196-E199 PolarHBondContact O-N 3.29Å; E199-K201 PolarHBondContact O-N 3.3Å |
| 200 | L | 64.5 | Low | 56.2 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.4 | 175.7 | -71.1 | 177.2 | 0 | 0 | 0 | 113.7 | D142 E143 I146 A196 L198 D202 | D142-L200 HydrophobicContact CB-CD2 4.42Å; D142-L200 HydrophobicContact CB-CG 4.21Å; E143-L200 HydrophobicContact CB-CD1 4.21Å; I146-L200 HydrophobicContact CD1-CD1 3.58Å; A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 3.23Å; A196-L200 VanDerWaalsContact O-N 3.1Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 2.99Å; L200-D202 HydrophobicContact CB-CB 4.49Å; L200-D202 PolarHBondContact O-N 3.49Å |
| 201 | K | 62 | Low | 54.4 | Low | 164 Ų | 164 | 70.1 Ų | 70.1 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | trans | 52.2 | 13.5 | -174.5 | -59.7 | 179.1 | -178.1 | 175.6 | 0 | 114.6 | L198 E199 | L198-K201 PolarHBondContact O-N 3.33Å; L198-K201 VanDerWaalsContact O-N 3.17Å; E199-K201 PolarHBondContact O-N 3.3Å | ||
| 202 | D | 53 | Low | 52.9 | Low | 62 Ų | 62 | 73 Ų | 73 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | trans | -111.1 | 60.5 | -172.5 | -163.1 | 3 | 0 | 0 | 0 | 110.1 | W197 L200 D204 R205 | W197-D202 WeakPolarHBondContact CZ3-O 3.45Å; L200-D202 HydrophobicContact CB-CB 4.49Å; L200-D202 PolarHBondContact O-N 3.49Å; D202-D204 PolarHBondContact O-N 3.25Å; D202-R205 PolarHBondContact O-N 3.04Å; D202-R205 WeakPolarHBondContact OD2-CD 3.29Å; D202-R205 IonicContact OD2-CZ 2.64Å; D202-R205 IonicContact OD2-NE 2.9Å; D202-R205 PolarHBondContact OD2-NE 3.28Å | ||
| 203 | F | 53.2 | Low | 52.1 | Low | 88 Ų | 88 | 75.4 Ų | 75.4 | 39% | 0.386 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.6 | -176.1 | -58.2 | -79.6 | 0 | 0 | 0 | 113.5 | L174 L198 R205 A206 | L174-F203 HydrophobicContact CD1-CD1 4.32Å; L174-F203 HydrophobicContact CD1-CE1 3.62Å; L174-F203 HydrophobicContact CD1-CZ 3.97Å; L174-F203 HydrophobicContact CD2-CD1 4.37Å; L174-F203 HydrophobicContact CD2-CE1 3.81Å; L174-F203 HydrophobicContact CG-CE1 4.35Å; L198-F203 HydrophobicContact CD2-CE1 3.74Å; L198-F203 HydrophobicContact CD2-CZ 3.73Å; L198-F203 HydrophobicContact CG-CE1 4.35Å; F203-R205 VanDerWaalsContact C-N 3.26Å; F203-R205 PolarHBondContact O-N 3.37Å; F203-A206 WeakPolarHBondContact O-CB 3.09Å; F203-A206 PolarHBondContact O-N 2.9Å |
| 204 | D | 47.5 | Very low | 51.3 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.4 | -29.7 | -179 | -75.9 | -33.7 | 0 | 0 | 0 | 112.1 | D202 A206 K207 | D202-D204 PolarHBondContact O-N 3.25Å; D204-A206 PolarHBondContact O-N 3.18Å; D204-K207 PolarHBondContact O-N 2.91Å |
| 205 | R | 44.2 | Very low | 50.4 | Low | 109 Ų | 109 | 83.4 Ų | 83.4 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -22 | 173.1 | -67.5 | -170 | -174.7 | -165.4 | -1.6 | 112.6 | E143 W197 D202 F203 K207 V208 Y209 | E143-R205 IonicContact OE1-NH1 2.98Å; E143-R205 PolarHBondContact OE1-NH1 3.31Å; W197-R205 HydrophobicContact CH2-CB 3.9Å; W197-R205 HydrophobicContact CZ3-CB 4.02Å; D202-R205 PolarHBondContact O-N 3.04Å; D202-R205 WeakPolarHBondContact OD2-CD 3.29Å; D202-R205 IonicContact OD2-CZ 2.64Å; D202-R205 IonicContact OD2-NE 2.9Å; D202-R205 PolarHBondContact OD2-NE 3.28Å; F203-R205 VanDerWaalsContact C-N 3.26Å; F203-R205 PolarHBondContact O-N 3.37Å; R205-K207 PolarHBondContact O-N 3.07Å; R205-V208 WeakPolarHBondContact O-CB 2.97Å; R205-V208 PolarHBondContact O-N 2.91Å; R205-Y209 HydrophobicContact CB-CD2 4.49Å; R205-Y209 HydrophobicContact CB-CE2 3.89Å; R205-Y209 WeakPolarHBondContact O-CD2 3.18Å; R205-Y209 PolarHBondContact O-N 3.06Å |
| 206 | A | 41.4 | Very low | 49.4 | Very low | 18 Ų | 18 | 85.6 Ų | 85.6 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | W197 F203 D204 V208 Y209 Y210 | W197-A206 HydrophobicContact CD2-CB 4.21Å; W197-A206 HydrophobicContact CE3-CB 3.66Å; W197-A206 HydrophobicContact CH2-CB 3.54Å; W197-A206 HydrophobicContact CZ2-CB 3.96Å; W197-A206 HydrophobicContact CZ3-CB 3.31Å; F203-A206 WeakPolarHBondContact O-CB 3.09Å; F203-A206 PolarHBondContact O-N 2.9Å; D204-A206 PolarHBondContact O-N 3.18Å; A206-V208 VanDerWaalsContact C-N 3.25Å; A206-V208 PolarHBondContact O-N 3.47Å; A206-Y209 PolarHBondContact O-N 2.88Å; A206-Y210 VanDerWaalsContact O-CD2 3.31Å; A206-Y210 WeakPolarHBondContact O-CD2 3.23Å; A206-Y210 WeakPolarHBondContact O-CE2 3.06Å |
| 207 | K | 38.3 | Very low | 48.3 | Very low | 136 Ų | 136 | 90.9 Ų | 90.9 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.4 | -30.9 | 177.6 | -68.9 | 178.4 | 178.7 | 169.7 | 0 | 113 | D204 R205 | D204-K207 PolarHBondContact O-N 2.91Å; R205-K207 PolarHBondContact O-N 3.07Å |
| 208 | V | 37.9 | Very low | 47.3 | Very low | 101 Ų | 101 | 95.7 Ų | 95.7 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75 | -34.5 | -175.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | R205 A206 Y210 L211 | R205-V208 WeakPolarHBondContact O-CB 2.97Å; R205-V208 PolarHBondContact O-N 2.91Å; A206-V208 VanDerWaalsContact C-N 3.25Å; A206-V208 PolarHBondContact O-N 3.47Å; V208-Y210 PolarHBondContact O-N 3.19Å; V208-L211 PolarHBondContact O-N 2.8Å |
| 209 | Y | 39.6 | Very low | 46 | Very low | 62 Ų | 62 | 102.2 Ų | 102.2 | 24% | 0.243 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.9 | -179.1 | -64 | -68.3 | 0 | 0 | 0 | 114.8 | I146 L147 W197 R205 A206 | I146-Y209 HydrophobicContact CG2-CD2 4.46Å; I146-Y209 HydrophobicContact CG2-CE2 4.19Å; L147-Y209 HydrophobicContact CD2-CD1 4.35Å; L147-Y209 HydrophobicContact CD2-CE1 3.36Å; L147-Y209 WeakPolarHBondContact CD2-OH 3.23Å; W197-Y209 AromaticContact CH2-CD2 3.43Å; W197-Y209 HydrophobicContact CH2-CD2 3.43Å; W197-Y209 VanDerWaalsContact CH2-CD2 3.43Å; W197-Y209 AromaticContact CH2-CE2 3.5Å; W197-Y209 HydrophobicContact CH2-CE2 3.5Å; W197-Y209 VanDerWaalsContact CH2-CE2 3.5Å; W197-Y209 AromaticContact CZ2-CD2 3.44Å; W197-Y209 HydrophobicContact CZ2-CD2 3.44Å; W197-Y209 VanDerWaalsContact CZ2-CD2 3.44Å; W197-Y209 AromaticContact CZ2-CE2 3.75Å; W197-Y209 HydrophobicContact CZ2-CE2 3.75Å; R205-Y209 HydrophobicContact CB-CD2 4.49Å; R205-Y209 HydrophobicContact CB-CE2 3.89Å; R205-Y209 WeakPolarHBondContact O-CD2 3.18Å; R205-Y209 PolarHBondContact O-N 3.06Å; A206-Y209 PolarHBondContact O-N 2.88Å |
| 210 | Y | 34.8 | Very low | 44.6 | Very low | 88 Ų | 88 | 104.2 Ų | 104.2 | 35% | 0.345 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.8 | 174.1 | -56.7 | -58.6 | 0 | 0 | 0 | 115.1 | I157 A206 V208 | I157-Y210 HydrophobicContact CB-CE1 3.59Å; I157-Y210 WeakPolarHBondContact CB-OH 3.36Å; I157-Y210 HydrophobicContact CG1-CE1 4.46Å; I157-Y210 WeakPolarHBondContact CG2-OH 3.45Å; I157-Y210 WeakPolarHBondContact O-CD1 3.39Å; I157-Y210 WeakPolarHBondContact O-CE1 3.48Å; I157-Y210 WeakPolarHBondContact O-CE2 3.41Å; I157-Y210 PolarHBondContact O-OH 3.46Å; A206-Y210 VanDerWaalsContact O-CD2 3.31Å; A206-Y210 WeakPolarHBondContact O-CD2 3.23Å; A206-Y210 WeakPolarHBondContact O-CE2 3.06Å; V208-Y210 PolarHBondContact O-N 3.19Å |
| 211 | L | 28.3 | Very low | 42.9 | Very low | 161 Ų | 161 | 106.7 Ų | 106.7 | 84% | 0.843 | 54% | 0.538 | S | S | * | . | trans | -114 | 17.2 | -166 | -71.4 | 175.2 | 0 | 0 | 0 | 115.5 | V208 | V208-L211 PolarHBondContact O-N 2.8Š| ||
| 212 | S | 34.7 | Very low | 41.2 | Very low | 169 Ų | 169 | 101.5 Ų | 101.5 | 100% | 1.182 | 52% | 0.522 | S | S | * | . | trans | -121.5 | 0 | 172.4 | 63.6 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 212 of 212 residues in 483.7 ms
(Link to these results)