| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 64.8 | Low | 215 Ų | 215 | 79.1 Ų | 79.1 | 100% | 1.059 | 45% | 0.448 | S | S | * | . | 0 | 123.8 | 0 | -65.2 | 67.5 | 114.1 | 0 | 0 | 107 | |||||
| 2 | N | 44.1 | Very low | 66.5 | Low | 133 Ų | 133 | 81.8 Ų | 81.8 | 71% | 0.711 | 49% | 0.488 | S | S | * | . | trans | -164.4 | 51.9 | -167.8 | -96.5 | -43.4 | 0 | 0 | 0 | 108.9 | K42 | N2-K42 VanDerWaalsContact C-CE 3.48Å; N2-K42 WeakPolarHBondContact O-CE 3.42Å; N2-K42 PolarHBondContact O-NZ 3.31Å | ||
| 3 | D | 45.4 | Very low | 68.1 | Low | 115 Ų | 115 | 86.5 Ų | 86.5 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -101.5 | -7.9 | -163.3 | 44.6 | -54.1 | 0 | 0 | 0 | 113.6 | S5 | D3-S5 VanDerWaalsContact C-N 3.25Å; D3-S5 PolarHBondContact OD1-OG 2.72Å; D3-S5 WeakPolarHBondContact OD2-CB 3.35Å; D3-S5 PolarHBondContact OD2-OG 2.78Å |
| 4 | G | 51.7 | Low | 69.5 | Low | 29 Ų | 29 | 86.3 Ų | 86.3 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | trans | 77.2 | 17.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | S | 59.9 | Low | 70.5 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | trans | -54.6 | 163.4 | 170.1 | 30.4 | 0 | 0 | 0 | 0 | 113.1 | D3 N7 | D3-S5 VanDerWaalsContact C-N 3.25Å; D3-S5 PolarHBondContact OD1-OG 2.72Å; D3-S5 WeakPolarHBondContact OD2-CB 3.35Å; D3-S5 PolarHBondContact OD2-OG 2.78Å; S5-N7 PolarHBondContact O-N 3.09Å | ||
| 6 | C | 64.9 | Low | 71.1 | Confident | 51 Ų | 51 | 82.1 Ų | 82.1 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | trans | -54 | 135.2 | -178.3 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | H8 F39 | C6-H8 PolarHBondContact O-N 3.46Å; C6-H8 VanDerWaalsContact SG-CB 3.59Å; C6-F39 VanDerWaalsContact SG-CE2 3.56Å | ||
| 7 | N | 72.9 | Confident | 72 | Confident | 13 Ų | 13 | 82.5 Ų | 82.5 | 7% | 0.07 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -80.6 | 13.8 | 176.1 | -75.3 | -59.4 | 0 | 0 | 0 | 113.5 | S5 C19 W20 L21 Y31 T38 G41 | S5-N7 PolarHBondContact O-N 3.09Å; N7-C19 WeakPolarHBondContact O-CA 3.38Å; N7-C19 PolarHBondContact O-SG 3.19Å; N7-C19 VanDerWaalsContact O-SG 3.35Å; N7-W20 PolarHBondContact O-N 3.28Å; N7-L21 HydrophobicContact CB-CD1 4.18Å; N7-L21 VanDerWaalsContact CG-CD1 3.48Å; N7-L21 WeakPolarHBondContact ND2-CD1 3.29Å; N7-Y31 PolarHBondContact O-OH 3.08Å; N7-T38 PolarHBondContact ND2-O 3.3Å; N7-G41 PolarHBondContact ND2-O 3.41Å |
| 8 | H | 81.3 | Confident | 72.6 | Confident | 58 Ų | 58 | 80.2 Ų | 80.2 | 27% | 0.269 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.8 | 174.7 | 175 | -71.1 | 0 | 0 | 0 | 108.6 | C6 E17 I26 Y31 | C6-H8 PolarHBondContact O-N 3.46Å; C6-H8 VanDerWaalsContact SG-CB 3.59Å; H8-E17 IonicContact CD2-OE2 2.72Å; H8-E17 IonicContact CE1-OE1 3.11Å; H8-E17 PolarHBondContact CE1-OE1 3.31Å; H8-E17 IonicContact CE1-OE2 2.78Å; H8-E17 IonicContact NE2-OE1 3.53Å; H8-E17 PolarHBondContact NE2-OE1 2.99Å; H8-E17 IonicContact NE2-OE2 3.39Å; H8-E17 PolarHBondContact NE2-OE2 3.44Å; H8-I26 HydrophobicContact CB-CD1 3.86Å; H8-I26 WeakPolarHBondContact CD2-CD1 3.23Å; H8-Y31 PolarHBondContact N-OH 3.25Å |
| 9 | M | 79 | Confident | 73.1 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 37% | 0.365 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.3 | -179.8 | -76.6 | 168.9 | 58.2 | 0 | 0 | 110.6 | F18 W20 | M9-F18 HydrophobicContact CB-CE1 4.48Å; M9-F18 HydrophobicContact CB-CZ 4.25Å; M9-F18 PolarHBondContact N-O 2.97Å; M9-F18 VanDerWaalsContact N-O 3.11Å; M9-F18 VanDerWaalsContact O-CD1 3.28Å; M9-F18 WeakPolarHBondContact O-CD1 3.46Å; M9-F18 PolarHBondContact O-N 3.43Å; M9-F18 VanDerWaalsContact O-O 3.11Å; M9-W20 HydrophobicContact CE-CD2 4.07Å; M9-W20 HydrophobicContact CE-CE3 3.36Å; M9-W20 HydrophobicContact CE-CZ3 3.67Å; M9-W20 HydrophobicContact SD-CB 3.68Å; M9-W20 HydrophobicContact SD-CD2 3.76Å; M9-W20 HydrophobicContact SD-CE3 3.64Å; M9-W20 HydrophobicContact SD-CG 3.81Å; M9-W20 HydrophobicContact SD-CZ3 4.47Å |
| 10 | T | 84.8 | Confident | 73.3 | Confident | 81 Ų | 81 | 79.9 Ų | 79.9 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.6 | 179.4 | -46 | 0 | 0 | 0 | 0 | 110.1 | A12 G15 E17 | T10-A12 PolarHBondContact O-N 3.22Å; T10-G15 WeakPolarHBondContact CG2-O 3.29Å; T10-E17 HydrophobicContact CG2-CG 4.45Å |
| 11 | C | 86.9 | Confident | 73.2 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 26% | 0.264 | 46% | 0.459 | S | S | . | . | trans | -72.6 | 120.1 | 176 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | V13 C14 G15 C16 F18 | C11-V13 PolarHBondContact O-N 3.46Å; C11-C14 VanDerWaalsContact CB-SG 3.54Å; C11-G15 VanDerWaalsContact O-CA 3.32Å; C11-G15 WeakPolarHBondContact O-CA 3.44Å; C11-G15 PolarHBondContact O-N 2.85Å; C11-C16 PolarHBondContact N-O 2.99Å; C11-F18 HydrophobicContact CB-CD1 4.37Å; C11-F18 HydrophobicContact CB-CE1 4.01Å | ||
| 12 | A | 84.8 | Confident | 74.5 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 93% | 0.926 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T10 | T10-A12 PolarHBondContact O-N 3.22Š|
| 13 | V | 87.3 | Confident | 75.9 | Confident | 143 Ų | 143 | 70.7 Ų | 70.7 | 87% | 0.867 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -44.5 | -178.2 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | C11 | C11-V13 PolarHBondContact O-N 3.46Š|
| 14 | C | 87.9 | Confident | 77.2 | Confident | 83 Ų | 83 | 72 Ų | 72 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -2.8 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | C11 C16 | C11-C14 VanDerWaalsContact CB-SG 3.54Å; C14-C16 PolarHBondContact O-N 3.46Å; C14-C16 VanDerWaalsContact O-N 3.13Å |
| 15 | G | 84.3 | Confident | 78.6 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | trans | 72.1 | -4.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T10 C11 | T10-G15 WeakPolarHBondContact CG2-O 3.29Å; C11-G15 VanDerWaalsContact O-CA 3.32Å; C11-G15 WeakPolarHBondContact O-CA 3.44Å; C11-G15 PolarHBondContact O-N 2.85Å | ||
| 16 | C | 81.2 | Confident | 79.3 | Confident | 57 Ų | 57 | 76 Ų | 76 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | trans | -63.9 | 135.7 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | C11 C14 | C11-C16 PolarHBondContact N-O 2.99Å; C14-C16 PolarHBondContact O-N 3.46Å; C14-C16 VanDerWaalsContact O-N 3.13Å | ||
| 17 | E | 85.8 | Confident | 79.5 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.5 | 175 | -55.6 | -163.1 | 143 | 0 | 0 | 110.4 | H8 T10 E25 I26 | H8-E17 IonicContact CD2-OE2 2.72Å; H8-E17 IonicContact CE1-OE1 3.11Å; H8-E17 PolarHBondContact CE1-OE1 3.31Å; H8-E17 IonicContact CE1-OE2 2.78Å; H8-E17 IonicContact NE2-OE1 3.53Å; H8-E17 PolarHBondContact NE2-OE1 2.99Å; H8-E17 IonicContact NE2-OE2 3.39Å; H8-E17 PolarHBondContact NE2-OE2 3.44Å; T10-E17 HydrophobicContact CG2-CG 4.45Å; E17-E25 CarbonylContact O-C 3.58Å; E17-E25 VanDerWaalsContact O-CA 3.31Å; E17-E25 WeakPolarHBondContact O-CA 3.42Å; E17-I26 HydrophobicContact CB-CB 4.47Å; E17-I26 PolarHBondContact O-N 3.27Å |
| 18 | F | 83.6 | Confident | 78.8 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 18% | 0.18 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149 | -176.5 | 68.6 | -84.1 | 0 | 0 | 0 | 112.2 | M9 C11 W20 M23 K24 I26 | M9-F18 HydrophobicContact CB-CE1 4.48Å; M9-F18 HydrophobicContact CB-CZ 4.25Å; M9-F18 PolarHBondContact N-O 2.97Å; M9-F18 VanDerWaalsContact N-O 3.11Å; M9-F18 VanDerWaalsContact O-CD1 3.28Å; M9-F18 WeakPolarHBondContact O-CD1 3.46Å; M9-F18 PolarHBondContact O-N 3.43Å; M9-F18 VanDerWaalsContact O-O 3.11Å; C11-F18 HydrophobicContact CB-CD1 4.37Å; C11-F18 HydrophobicContact CB-CE1 4.01Å; F18-W20 HydrophobicContact CE2-CE3 4.41Å; F18-W20 PolarHBondContact O-N 3.45Å; F18-M23 HydrophobicContact CD2-CE 4.33Å; F18-M23 HydrophobicContact CD2-SD 4.05Å; F18-M23 HydrophobicContact CE2-CE 3.99Å; F18-M23 HydrophobicContact CE2-SD 3.87Å; F18-K24 CarbonylContact C-O 3.58Å; F18-K24 VanDerWaalsContact CA-O 3.32Å; F18-K24 WeakPolarHBondContact CA-O 3.22Å; F18-I26 VanDerWaalsContact C-CD1 3.42Å |
| 19 | C | 81.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 116.6 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | N7 L21 C22 M23 K24 I26 H30 | N7-C19 WeakPolarHBondContact O-CA 3.38Å; N7-C19 PolarHBondContact O-SG 3.19Å; N7-C19 VanDerWaalsContact O-SG 3.35Å; C19-L21 PolarHBondContact O-N 3.19Å; C19-L21 VanDerWaalsContact O-N 3.13Å; C19-C22 PolarHBondContact O-N 3.38Å; C19-C22 VanDerWaalsContact O-N 3.08Å; C19-M23 PolarHBondContact O-N 3.24Å; C19-K24 PolarHBondContact N-O 3.41Å; C19-I26 HydrophobicContact CB-CD1 4.21Å; C19-I26 HydrophobicContact CB-CG1 4Å; C19-H30 VanDerWaalsContact CB-NE2 3.31Å; C19-H30 WeakPolarHBondContact CB-NE2 3.49Å |
| 20 | W | 76.9 | Confident | 77.4 | Confident | 154 Ų | 154 | 82.4 Ų | 82.4 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35.3 | -179.3 | 178.9 | -106.3 | 0 | 0 | 0 | 114 | N7 M9 F18 C22 | N7-W20 PolarHBondContact O-N 3.28Å; M9-W20 HydrophobicContact CE-CD2 4.07Å; M9-W20 HydrophobicContact CE-CE3 3.36Å; M9-W20 HydrophobicContact CE-CZ3 3.67Å; M9-W20 HydrophobicContact SD-CB 3.68Å; M9-W20 HydrophobicContact SD-CD2 3.76Å; M9-W20 HydrophobicContact SD-CE3 3.64Å; M9-W20 HydrophobicContact SD-CG 3.81Å; M9-W20 HydrophobicContact SD-CZ3 4.47Å; F18-W20 HydrophobicContact CE2-CE3 4.41Å; F18-W20 PolarHBondContact O-N 3.45Å; W20-C22 VanDerWaalsContact C-N 3.31Å; W20-C22 PolarHBondContact O-N 3.07Å |
| 21 | L | 71.2 | Confident | 76.1 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.1 | -178.8 | -80.9 | 168.2 | 0 | 0 | 0 | 114.7 | N7 C19 C37 | N7-L21 HydrophobicContact CB-CD1 4.18Å; N7-L21 VanDerWaalsContact CG-CD1 3.48Å; N7-L21 WeakPolarHBondContact ND2-CD1 3.29Å; C19-L21 PolarHBondContact O-N 3.19Å; C19-L21 VanDerWaalsContact O-N 3.13Å; L21-C37 HydrophobicContact CB-CB 4.15Å; L21-C37 HydrophobicContact CD1-CB 3.96Å |
| 22 | C | 69.4 | Low | 74.6 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 32% | 0.324 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 1.9 | -173.5 | 69.4 | 0 | 0 | 0 | 0 | 115.4 | C19 W20 K24 H30 C37 | C19-C22 PolarHBondContact O-N 3.38Å; C19-C22 VanDerWaalsContact O-N 3.08Å; W20-C22 VanDerWaalsContact C-N 3.31Å; W20-C22 PolarHBondContact O-N 3.07Å; C22-K24 PolarHBondContact O-N 3.01Å; C22-K24 VanDerWaalsContact O-N 3.16Å; C22-H30 PolarHBondContact SG-CE1 2.97Å; C22-H30 PolarHBondContact SG-NE2 2.86Å; C22-H30 VanDerWaalsContact SG-NE2 3.39Å; C22-C37 VanDerWaalsContact SG-SG 3.61Å |
| 23 | M | 73.3 | Confident | 72.9 | Confident | 130 Ų | 130 | 81.5 Ų | 81.5 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 35.9 | 176.9 | -57.4 | -60.9 | -71.6 | 0 | 0 | 113.6 | F18 C19 | F18-M23 HydrophobicContact CD2-CE 4.33Å; F18-M23 HydrophobicContact CD2-SD 4.05Å; F18-M23 HydrophobicContact CE2-CE 3.99Å; F18-M23 HydrophobicContact CE2-SD 3.87Å; C19-M23 PolarHBondContact O-N 3.24Å |
| 24 | K | 72.7 | Confident | 71.2 | Confident | 144 Ų | 144 | 75.8 Ų | 75.8 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148.3 | 173.3 | -73.6 | -178.2 | 178.4 | -179.2 | 0 | 110.4 | F18 C19 C22 | F18-K24 CarbonylContact C-O 3.58Å; F18-K24 VanDerWaalsContact CA-O 3.32Å; F18-K24 WeakPolarHBondContact CA-O 3.22Å; C19-K24 PolarHBondContact N-O 3.41Å; C22-K24 PolarHBondContact O-N 3.01Å; C22-K24 VanDerWaalsContact O-N 3.16Å |
| 25 | E | 79.9 | Confident | 69.5 | Low | 144 Ų | 144 | 75.2 Ų | 75.2 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 143.2 | 172 | -167.1 | 169.9 | -157.5 | 0 | 0 | 111.4 | E17 H30 | E17-E25 CarbonylContact O-C 3.58Å; E17-E25 VanDerWaalsContact O-CA 3.31Å; E17-E25 WeakPolarHBondContact O-CA 3.42Å; E25-H30 PolarHBondContact O-ND1 3.04Å |
| 26 | I | 76.3 | Confident | 68.1 | Low | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | trans | -88.9 | 121 | -178.5 | -65.3 | 170.5 | 0 | 0 | 0 | 108.6 | H8 E17 F18 C19 H30 Y31 | H8-I26 HydrophobicContact CB-CD1 3.86Å; H8-I26 WeakPolarHBondContact CD2-CD1 3.23Å; E17-I26 HydrophobicContact CB-CB 4.47Å; E17-I26 PolarHBondContact O-N 3.27Å; F18-I26 VanDerWaalsContact C-CD1 3.42Å; C19-I26 HydrophobicContact CB-CD1 4.21Å; C19-I26 HydrophobicContact CB-CG1 4Å; I26-H30 HydrophobicContact CG2-CB 4.39Å; I26-Y31 HydrophobicContact CD1-CE2 4.31Å; I26-Y31 VanDerWaalsContact CD1-OH 3.3Å; I26-Y31 WeakPolarHBondContact CD1-OH 3.39Å; I26-Y31 HydrophobicContact CG2-CE2 3.9Å | ||
| 27 | S | 67.9 | Low | 67.1 | Low | 79 Ų | 79 | 71.4 Ų | 71.4 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | trans | -109.5 | 156.8 | 164.2 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | L29 H30 | S27-L29 PolarHBondContact O-N 3.23Å; S27-H30 WeakPolarHBondContact O-CA 3.34Å; S27-H30 WeakPolarHBondContact O-CB 3.19Å; S27-H30 PolarHBondContact O-N 3.41Å | ||
| 28 | D | 59.4 | Low | 65.8 | Low | 156 Ų | 156 | 68.9 Ų | 68.9 | 83% | 0.834 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29 | -179.7 | -66.7 | -46 | 0 | 0 | 0 | 113.3 | H30 | D28-H30 VanDerWaalsContact C-N 3.3Å; D28-H30 PolarHBondContact O-N 3.33Å |
| 29 | L | 61 | Low | 64.6 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.2 | 176.6 | -156.9 | 72.3 | 0 | 0 | 0 | 113.7 | S27 L32 S33 Y135 | S27-L29 PolarHBondContact O-N 3.23Å; L29-L32 HydrophobicContact CD1-CB 4.15Å; L29-S33 WeakPolarHBondContact CG-OG 3.25Å; L29-S33 WeakPolarHBondContact O-CA 3.4Å; L29-S33 WeakPolarHBondContact O-CB 3.34Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.49Å; L29-Y135 WeakPolarHBondContact CD1-OH 3.04Å; L29-Y135 VanDerWaalsContact CD2-OH 3.29Å; L29-Y135 WeakPolarHBondContact CD2-OH 3.36Å |
| 30 | H | 68.4 | Low | 63.2 | Low | 20 Ų | 20 | 79.6 Ų | 79.6 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -41.3 | -174.2 | -170.3 | 112.6 | 0 | 0 | 0 | 112.7 | C19 C22 E25 I26 S27 D28 S35 | C19-H30 VanDerWaalsContact CB-NE2 3.31Å; C19-H30 WeakPolarHBondContact CB-NE2 3.49Å; C22-H30 PolarHBondContact SG-CE1 2.97Å; C22-H30 PolarHBondContact SG-NE2 2.86Å; C22-H30 VanDerWaalsContact SG-NE2 3.39Å; E25-H30 PolarHBondContact O-ND1 3.04Å; I26-H30 HydrophobicContact CG2-CB 4.39Å; S27-H30 WeakPolarHBondContact O-CA 3.34Å; S27-H30 WeakPolarHBondContact O-CB 3.19Å; S27-H30 PolarHBondContact O-N 3.41Å; D28-H30 VanDerWaalsContact C-N 3.3Å; D28-H30 PolarHBondContact O-N 3.33Å; H30-S35 PolarHBondContact O-OG 2.87Å |
| 31 | Y | 57.7 | Low | 62.1 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -18.5 | 178.4 | -60.7 | -71.2 | 0 | 0 | 0 | 113.3 | N7 H8 I26 F39 | N7-Y31 PolarHBondContact O-OH 3.08Å; H8-Y31 PolarHBondContact N-OH 3.25Å; I26-Y31 HydrophobicContact CD1-CE2 4.31Å; I26-Y31 VanDerWaalsContact CD1-OH 3.3Å; I26-Y31 WeakPolarHBondContact CD1-OH 3.39Å; I26-Y31 HydrophobicContact CG2-CE2 3.9Å; Y31-F39 HydrophobicContact CD1-CB 3.99Å; Y31-F39 HydrophobicContact CD1-CD2 4.21Å; Y31-F39 HydrophobicContact CD2-CD2 4.22Å; Y31-F39 HydrophobicContact CE1-CD2 4.19Å; Y31-F39 HydrophobicContact CE2-CD2 4.2Å; Y31-F39 HydrophobicContact CG-CB 4.29Å; Y31-F39 HydrophobicContact CG-CD2 4.22Å |
| 32 | L | 56.1 | Low | 61.2 | Low | 123 Ų | 123 | 76.9 Ų | 76.9 | 64% | 0.644 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -27 | 175.2 | -64.5 | 172.2 | 0 | 0 | 0 | 112.1 | L29 | L29-L32 HydrophobicContact CD1-CB 4.15Š|
| 33 | S | 49.4 | Very low | 60.4 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -66.6 | 139.8 | 169.5 | -74.1 | 0 | 0 | 0 | 0 | 110.4 | L29 S35 | L29-S33 WeakPolarHBondContact CG-OG 3.25Å; L29-S33 WeakPolarHBondContact O-CA 3.4Å; L29-S33 WeakPolarHBondContact O-CB 3.34Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.49Å; S33-S35 VanDerWaalsContact CB-OG 3.32Å; S33-S35 WeakPolarHBondContact CB-OG 3.41Å; S33-S35 PolarHBondContact O-N 2.87Å; S33-S35 PolarHBondContact O-OG 3.35Å |
| 34 | P | 52.1 | Low | 59.7 | Low | 23 Ų | 23 | 80.8 Ų | 80.8 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 14.6 | 175 | -11.1 | 25.8 | 0 | 0 | 0 | 114.4 | G36 W53 Q54 L144 | P34-G36 PolarHBondContact O-N 3.48Å; P34-G36 VanDerWaalsContact O-N 3.14Å; P34-W53 HydrophobicContact CB-CZ3 4.31Å; P34-W53 HydrophobicContact CG-CZ3 4.1Å; P34-Q54 HydrophobicContact CB-CG 3.91Å; P34-Q54 VanDerWaalsContact CB-NE2 3.27Å; P34-Q54 HydrophobicContact CG-CG 3.97Å; P34-L144 HydrophobicContact CB-CD2 3.69Å; P34-L144 HydrophobicContact CG-CD1 4.18Å; P34-L144 HydrophobicContact CG-CD2 3.8Å; P34-L144 HydrophobicContact CG-CG 4.47Å |
| 35 | S | 51.6 | Low | 59.1 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -34 | 172.6 | 38.7 | 0 | 0 | 0 | 0 | 111.4 | H30 S33 K50 | H30-S35 PolarHBondContact O-OG 2.87Å; S33-S35 VanDerWaalsContact CB-OG 3.32Å; S33-S35 WeakPolarHBondContact CB-OG 3.41Å; S33-S35 PolarHBondContact O-N 2.87Å; S33-S35 PolarHBondContact O-OG 3.35Å; S35-K50 PolarHBondContact O-NZ 3.32Å; S35-K50 VanDerWaalsContact O-NZ 3.09Å |
| 36 | G | 53.5 | Low | 58.3 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | trans | 100.2 | 28.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P34 W45 | P34-G36 PolarHBondContact O-N 3.48Å; P34-G36 VanDerWaalsContact O-N 3.14Å; G36-W45 PolarHBondContact O-N 3.11Å | ||
| 37 | C | 60.5 | Low | 57.8 | Low | 14 Ų | 14 | 83.4 Ų | 83.4 | 10% | 0.095 | 42% | 0.424 | C | S | . | . | trans | -83.7 | 119.3 | 153.6 | -57 | 0 | 0 | 0 | 0 | 107.4 | L21 C22 | L21-C37 HydrophobicContact CB-CB 4.15Å; L21-C37 HydrophobicContact CD1-CB 3.96Å; C22-C37 VanDerWaalsContact SG-SG 3.61Å | ||
| 38 | T | 59.6 | Low | 57.9 | Low | 36 Ų | 36 | 86 Ų | 86 | 22% | 0.221 | 43% | 0.425 | C | S | . | . | trans | -80.2 | 138.2 | 174.8 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | N7 W40 W45 | N7-T38 PolarHBondContact ND2-O 3.3Å; T38-W40 WeakPolarHBondContact CB-O 3.28Å; T38-W40 PolarHBondContact O-N 2.89Å; T38-W40 PolarHBondContact OG1-O 3.41Å; T38-W45 HydrophobicContact CG2-CG 4.13Å | ||
| 39 | F | 58.3 | Low | 58.4 | Low | 95 Ų | 95 | 84.3 Ų | 84.3 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -55.3 | -37.4 | 178.1 | -178.1 | -125.2 | 0 | 0 | 0 | 111.6 | C6 Y31 | C6-F39 VanDerWaalsContact SG-CE2 3.56Å; Y31-F39 HydrophobicContact CD1-CB 3.99Å; Y31-F39 HydrophobicContact CD1-CD2 4.21Å; Y31-F39 HydrophobicContact CD2-CD2 4.22Å; Y31-F39 HydrophobicContact CE1-CD2 4.19Å; Y31-F39 HydrophobicContact CE2-CD2 4.2Å; Y31-F39 HydrophobicContact CG-CB 4.29Å; Y31-F39 HydrophobicContact CG-CD2 4.22Å |
| 40 | W | 51.5 | Low | 58.8 | Low | 171 Ų | 171 | 83.2 Ų | 83.2 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -115.2 | 134.8 | 168 | -55 | 93 | 0 | 0 | 0 | 110.7 | T38 | T38-W40 WeakPolarHBondContact CB-O 3.28Å; T38-W40 PolarHBondContact O-N 2.89Å; T38-W40 PolarHBondContact OG1-O 3.41Å |
| 41 | G | 54.5 | Low | 59 | Low | 27 Ų | 27 | 87 Ų | 87 | 28% | 0.278 | 42% | 0.423 | S | S | . | . | trans | 124.8 | 158.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | N7 | N7-G41 PolarHBondContact ND2-O 3.41Š| ||
| 42 | K | 51.6 | Low | 60 | Low | 128 Ų | 128 | 90.7 Ų | 90.7 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -97.2 | -0.3 | -168 | -63.7 | 175.5 | 179.4 | 166 | 0 | 116.1 | N2 | N2-K42 VanDerWaalsContact C-CE 3.48Å; N2-K42 WeakPolarHBondContact O-CE 3.42Å; N2-K42 PolarHBondContact O-NZ 3.31Å |
| 43 | K | 52.8 | Low | 60.9 | Low | 172 Ų | 172 | 90.7 Ų | 90.7 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -137.8 | 135 | -179.1 | -74.4 | -172.5 | 177 | -179.4 | 0 | 110.8 | ||
| 44 | P | 57.9 | Low | 61.8 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 142.8 | 172.7 | 27.5 | -34.8 | 0 | 0 | 0 | 109.4 | S46 | P44-S46 PolarHBondContact O-N 2.91Š|
| 45 | W | 61 | Low | 63.1 | Low | 95 Ų | 95 | 93.9 Ų | 93.9 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 132.2 | -170.1 | -128.4 | 53.1 | 0 | 0 | 0 | 111.4 | G36 T38 K49 K50 W53 | G36-W45 PolarHBondContact O-N 3.11Å; T38-W45 HydrophobicContact CG2-CG 4.13Å; W45-K49 HydrophobicContact CD2-CB 3.83Å; W45-K49 VanDerWaalsContact CE3-C 3.41Å; W45-K49 HydrophobicContact CE3-CB 3.64Å; W45-K49 HydrophobicContact CH2-CB 3.92Å; W45-K49 HydrophobicContact CZ2-CB 4.14Å; W45-K49 HydrophobicContact CZ3-CB 3.7Å; W45-K49 WeakPolarHBondContact CZ3-O 3.35Å; W45-K50 HydrophobicContact CB-CG 3.91Å; W45-K50 HydrophobicContact CE3-CB 4.42Å; W45-K50 HydrophobicContact CE3-CG 4.03Å; W45-K50 VanDerWaalsContact CE3-N 3.33Å; W45-K50 WeakPolarHBondContact O-CE 3.31Å; W45-W53 HydrophobicContact CH2-CB 3.57Å; W45-W53 HydrophobicContact CH2-CG 4.02Å; W45-W53 HydrophobicContact CZ3-CB 3.31Å; W45-W53 AromaticContact CZ3-CG 3.98Å; W45-W53 HydrophobicContact CZ3-CG 3.98Å |
| 46 | S | 62.6 | Low | 64.5 | Low | 67 Ų | 67 | 92.6 Ų | 92.6 | 47% | 0.469 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 142.6 | -177.4 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | P44 K48 K49 K50 | P44-S46 PolarHBondContact O-N 2.91Å; S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.01Å; S46-K49 CarbonylContact O-C 3.6Å; S46-K49 WeakPolarHBondContact O-CA 3.4Å; S46-K49 WeakPolarHBondContact O-CB 3.37Å; S46-K49 PolarHBondContact O-N 3.43Å; S46-K50 PolarHBondContact O-N 3.25Å |
| 47 | R | 67.1 | Low | 65.7 | Low | 212 Ų | 212 | 94.4 Ų | 94.4 | 80% | 0.8 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -50.2 | -44.6 | -178.6 | -77.3 | -175.3 | -86.4 | 172 | -3.7 | 112.5 | K49 K50 I51 | R47-K49 VanDerWaalsContact C-N 3.35Å; R47-K49 PolarHBondContact O-N 3.45Å; R47-K50 PolarHBondContact O-N 2.87Å; R47-I51 WeakPolarHBondContact O-CG1 3.33Å; R47-I51 PolarHBondContact O-N 3.28Å |
| 48 | K | 69.2 | Low | 66.7 | Low | 134 Ų | 134 | 96.1 Ų | 96.1 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -43 | 175.1 | -68.1 | -175.6 | 179.5 | -178.7 | 0 | 112 | S46 L52 F164 | S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.01Å; K48-L52 PolarHBondContact O-N 3.2Å; K48-F164 HydrophobicContact CD-CE1 4.27Å; K48-F164 HydrophobicContact CD-CZ 4.09Å; K48-F164 HydrophobicContact CG-CE1 4.2Å; K48-F164 HydrophobicContact CG-CZ 3.67Å |
| 49 | K | 69 | Low | 67.9 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -48.2 | 178 | -62.9 | -171.4 | 177.4 | -173.4 | 0 | 110.9 | W45 S46 R47 I51 L52 W53 | W45-K49 HydrophobicContact CD2-CB 3.83Å; W45-K49 VanDerWaalsContact CE3-C 3.41Å; W45-K49 HydrophobicContact CE3-CB 3.64Å; W45-K49 HydrophobicContact CH2-CB 3.92Å; W45-K49 HydrophobicContact CZ2-CB 4.14Å; W45-K49 HydrophobicContact CZ3-CB 3.7Å; W45-K49 WeakPolarHBondContact CZ3-O 3.35Å; S46-K49 CarbonylContact O-C 3.6Å; S46-K49 WeakPolarHBondContact O-CA 3.4Å; S46-K49 WeakPolarHBondContact O-CB 3.37Å; S46-K49 PolarHBondContact O-N 3.43Å; R47-K49 VanDerWaalsContact C-N 3.35Å; R47-K49 PolarHBondContact O-N 3.45Å; K49-I51 VanDerWaalsContact C-N 3.3Å; K49-I51 PolarHBondContact O-N 2.88Å; K49-L52 WeakPolarHBondContact O-CB 3.26Å; K49-L52 PolarHBondContact O-N 3.46Å; K49-W53 PolarHBondContact O-N 3.06Å |
| 50 | K | 70.9 | Confident | 69.2 | Low | 50 Ų | 50 | 96.6 Ų | 96.6 | 22% | 0.217 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -49.8 | -48.5 | 178 | -71.8 | -174.7 | 172.5 | -173.7 | 0 | 112.2 | S35 W45 S46 R47 Q54 | S35-K50 PolarHBondContact O-NZ 3.32Å; S35-K50 VanDerWaalsContact O-NZ 3.09Å; W45-K50 HydrophobicContact CB-CG 3.91Å; W45-K50 HydrophobicContact CE3-CB 4.42Å; W45-K50 HydrophobicContact CE3-CG 4.03Å; W45-K50 VanDerWaalsContact CE3-N 3.33Å; W45-K50 WeakPolarHBondContact O-CE 3.31Å; S46-K50 PolarHBondContact O-N 3.25Å; R47-K50 PolarHBondContact O-N 2.87Å; K50-Q54 WeakPolarHBondContact O-CB 3.35Å; K50-Q54 WeakPolarHBondContact O-CG 3.32Å; K50-Q54 PolarHBondContact O-N 3.36Å |
| 51 | I | 72.4 | Confident | 70.8 | Confident | 100 Ų | 100 | 89.9 Ų | 89.9 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 178.8 | -64.3 | 167.7 | 0 | 0 | 0 | 111.2 | R47 K49 W53 Q54 L55 | R47-I51 WeakPolarHBondContact O-CG1 3.33Å; R47-I51 PolarHBondContact O-N 3.28Å; K49-I51 VanDerWaalsContact C-N 3.3Å; K49-I51 PolarHBondContact O-N 2.88Å; I51-W53 PolarHBondContact O-N 2.67Å; I51-Q54 PolarHBondContact O-N 3.36Å; I51-L55 WeakPolarHBondContact O-CB 3.44Å; I51-L55 PolarHBondContact O-N 2.91Å |
| 52 | L | 77.7 | Confident | 72.3 | Confident | 127 Ų | 127 | 89.5 Ų | 89.5 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 179.4 | -174 | 65.1 | 0 | 0 | 0 | 112.7 | K48 K49 G56 | K48-L52 PolarHBondContact O-N 3.2Å; K49-L52 WeakPolarHBondContact O-CB 3.26Å; K49-L52 PolarHBondContact O-N 3.46Å; L52-G56 PolarHBondContact O-N 3.27Å |
| 53 | W | 75.1 | Confident | 74.1 | Confident | 123 Ų | 123 | 88 Ų | 88 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76.3 | -36.3 | 177.3 | -172.9 | 83.2 | 0 | 0 | 0 | 112.9 | P34 W45 K49 I51 L55 G56 T57 | P34-W53 HydrophobicContact CB-CZ3 4.31Å; P34-W53 HydrophobicContact CG-CZ3 4.1Å; W45-W53 HydrophobicContact CH2-CB 3.57Å; W45-W53 HydrophobicContact CH2-CG 4.02Å; W45-W53 HydrophobicContact CZ3-CB 3.31Å; W45-W53 AromaticContact CZ3-CG 3.98Å; W45-W53 HydrophobicContact CZ3-CG 3.98Å; K49-W53 PolarHBondContact O-N 3.06Å; I51-W53 PolarHBondContact O-N 2.67Å; W53-L55 VanDerWaalsContact C-N 3.34Å; W53-G56 CarbonylContact O-C 3.58Å; W53-G56 PolarHBondContact O-N 3.02Å; W53-T57 HydrophobicContact CD2-CG2 4.03Å; W53-T57 HydrophobicContact CE3-CG2 4.29Å; W53-T57 HydrophobicContact CH2-CG2 4.33Å; W53-T57 HydrophobicContact CZ2-CG2 4.06Å; W53-T57 HydrophobicContact CZ3-CG2 4.44Å; W53-T57 WeakPolarHBondContact O-CG2 3.44Å; W53-T57 PolarHBondContact O-N 3.04Å; W53-T57 PolarHBondContact O-OG1 2.89Å; W53-T57 VanDerWaalsContact O-OG1 3.06Å |
| 54 | Q | 69.6 | Low | 75.9 | Confident | 42 Ų | 42 | 81.1 Ų | 81.1 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 170.1 | -75.5 | 165.9 | 10.8 | 0 | 0 | 110.5 | P34 K50 I51 G56 T57 L58 L144 | P34-Q54 HydrophobicContact CB-CG 3.91Å; P34-Q54 VanDerWaalsContact CB-NE2 3.27Å; P34-Q54 HydrophobicContact CG-CG 3.97Å; K50-Q54 WeakPolarHBondContact O-CB 3.35Å; K50-Q54 WeakPolarHBondContact O-CG 3.32Å; K50-Q54 PolarHBondContact O-N 3.36Å; I51-Q54 PolarHBondContact O-N 3.36Å; Q54-G56 VanDerWaalsContact C-N 3.32Å; Q54-G56 PolarHBondContact O-N 2.9Å; Q54-T57 PolarHBondContact O-N 2.81Å; Q54-T57 PolarHBondContact O-OG1 3.31Å; Q54-L58 WeakPolarHBondContact O-CB 3.35Å; Q54-L58 PolarHBondContact O-N 3.44Å; Q54-L144 HydrophobicContact CG-CD1 3.9Å |
| 55 | L | 78.1 | Confident | 77.3 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 47% | 0.466 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176 | -171.1 | 62 | 0 | 0 | 0 | 111.7 | I51 W53 L58 I59 | I51-L55 WeakPolarHBondContact O-CB 3.44Å; I51-L55 PolarHBondContact O-N 2.91Å; W53-L55 VanDerWaalsContact C-N 3.34Å; L55-L58 PolarHBondContact O-N 2.87Å; L55-I59 HydrophobicContact CD1-CD1 3.84Å; L55-I59 HydrophobicContact CD1-CG1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.91Å; L55-I59 WeakPolarHBondContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.13Å |
| 56 | G | 81.8 | Confident | 78.7 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 44% | 0.443 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L52 W53 Q54 G60 | L52-G56 PolarHBondContact O-N 3.27Å; W53-G56 CarbonylContact O-C 3.58Å; W53-G56 PolarHBondContact O-N 3.02Å; Q54-G56 VanDerWaalsContact C-N 3.32Å; Q54-G56 PolarHBondContact O-N 2.9Å; G56-G60 VanDerWaalsContact O-CA 3.28Å; G56-G60 WeakPolarHBondContact O-CA 2.99Å; G56-G60 PolarHBondContact O-N 3.43Å |
| 57 | T | 79.6 | Confident | 80.2 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 30% | 0.301 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.4 | -36.1 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | W53 Q54 I59 G60 A61 | W53-T57 HydrophobicContact CD2-CG2 4.03Å; W53-T57 HydrophobicContact CE3-CG2 4.29Å; W53-T57 HydrophobicContact CH2-CG2 4.33Å; W53-T57 HydrophobicContact CZ2-CG2 4.06Å; W53-T57 HydrophobicContact CZ3-CG2 4.44Å; W53-T57 WeakPolarHBondContact O-CG2 3.44Å; W53-T57 PolarHBondContact O-N 3.04Å; W53-T57 PolarHBondContact O-OG1 2.89Å; W53-T57 VanDerWaalsContact O-OG1 3.06Å; Q54-T57 PolarHBondContact O-N 2.81Å; Q54-T57 PolarHBondContact O-OG1 3.31Å; T57-I59 VanDerWaalsContact C-N 3.31Å; T57-I59 PolarHBondContact O-N 2.87Å; T57-G60 PolarHBondContact O-N 2.88Å; T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 3.35Å |
| 58 | L | 80.8 | Confident | 81.3 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 177.8 | -169.8 | 71.2 | 0 | 0 | 0 | 112.4 | Q54 L55 P62 Y137 P141 | Q54-L58 WeakPolarHBondContact O-CB 3.35Å; Q54-L58 PolarHBondContact O-N 3.44Å; L55-L58 PolarHBondContact O-N 2.87Å; L58-P62 WeakPolarHBondContact O-CD 3.4Å; L58-P62 WeakPolarHBondContact O-CG 3.46Å; L58-Y137 HydrophobicContact CD1-CD1 3.43Å; L58-Y137 VanDerWaalsContact CD1-CD1 3.43Å; L58-Y137 HydrophobicContact CD1-CE1 3.55Å; L58-Y137 HydrophobicContact CD1-CG 4.43Å; L58-Y137 HydrophobicContact CG-CD1 4.17Å; L58-Y137 HydrophobicContact CG-CE1 3.79Å; L58-Y137 PolarHBondContact O-OH 3.2Å; L58-P141 HydrophobicContact CD1-CG 4.32Å |
| 59 | I | 84.4 | Confident | 82.3 | Confident | 105 Ų | 105 | 70.8 Ų | 70.8 | 54% | 0.538 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -90.2 | -39.4 | 176.3 | -61.3 | 168.7 | 0 | 0 | 0 | 110.9 | L55 T57 P62 V63 | L55-I59 HydrophobicContact CD1-CD1 3.84Å; L55-I59 HydrophobicContact CD1-CG1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.91Å; L55-I59 WeakPolarHBondContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.13Å; T57-I59 VanDerWaalsContact C-N 3.31Å; T57-I59 PolarHBondContact O-N 2.87Å; I59-P62 WeakPolarHBondContact O-CD 3.12Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å |
| 60 | G | 85.4 | Confident | 83.4 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.4 | -34.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G56 T57 V63 G64 | G56-G60 VanDerWaalsContact O-CA 3.28Å; G56-G60 WeakPolarHBondContact O-CA 2.99Å; G56-G60 PolarHBondContact O-N 3.43Å; T57-G60 PolarHBondContact O-N 2.88Å; G60-V63 PolarHBondContact O-N 2.99Å; G60-G64 PolarHBondContact O-N 3.07Å |
| 61 | A | 85.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T57 V63 G64 I65 V136 | T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 3.35Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.3Å; A61-G64 PolarHBondContact O-N 3.2Å; A61-I65 VanDerWaalsContact O-CB 3.31Å; A61-I65 WeakPolarHBondContact O-CB 3.48Å; A61-I65 WeakPolarHBondContact O-CD1 3.17Å; A61-I65 WeakPolarHBondContact O-CG1 3.47Å; A61-I65 PolarHBondContact O-N 2.74Å; A61-V136 HydrophobicContact CB-CG1 4.16Å; A61-V136 HydrophobicContact CB-CG2 4.36Å |
| 62 | P | 85.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 13% | 0.13 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 174.3 | -15.4 | 21.7 | 0 | 0 | 0 | 113.1 | L58 I59 S66 L133 Y137 | L58-P62 WeakPolarHBondContact O-CD 3.4Å; L58-P62 WeakPolarHBondContact O-CG 3.46Å; I59-P62 WeakPolarHBondContact O-CD 3.12Å; P62-S66 VanDerWaalsContact O-CB 3.3Å; P62-S66 WeakPolarHBondContact O-CB 3.44Å; P62-S66 PolarHBondContact O-N 3.3Å; P62-S66 PolarHBondContact O-OG 3.33Å; P62-L133 HydrophobicContact CB-CD2 3.96Å; P62-L133 HydrophobicContact CG-CD2 4.22Å; P62-Y137 HydrophobicContact CG-CE2 3.85Å; P62-Y137 WeakPolarHBondContact CG-OH 3.47Å |
| 63 | V | 89.4 | Confident | 86 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | I59 G60 A61 S66 L67 | I59-V63 WeakPolarHBondContact O-CG2 3.35Å; G60-V63 PolarHBondContact O-N 2.99Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.3Å; V63-S66 PolarHBondContact O-N 3.43Å; V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 PolarHBondContact O-N 3.49Å |
| 64 | G | 90.4 | Very high | 86.8 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G60 A61 S66 L67 I68 | G60-G64 PolarHBondContact O-N 3.07Å; A61-G64 PolarHBondContact O-N 3.2Å; G64-S66 VanDerWaalsContact C-N 3.33Å; G64-S66 PolarHBondContact O-N 2.98Å; G64-L67 PolarHBondContact O-N 3.23Å; G64-I68 WeakPolarHBondContact O-CB 3.38Å; G64-I68 WeakPolarHBondContact O-CD1 3.31Å; G64-I68 VanDerWaalsContact O-CG1 3.24Å; G64-I68 WeakPolarHBondContact O-CG1 3.42Å; G64-I68 PolarHBondContact O-N 3Å |
| 65 | I | 88.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.4 | -69.1 | 163.2 | 0 | 0 | 0 | 110.3 | A61 I68 A69 V129 M132 | A61-I65 VanDerWaalsContact O-CB 3.31Å; A61-I65 WeakPolarHBondContact O-CB 3.48Å; A61-I65 WeakPolarHBondContact O-CD1 3.17Å; A61-I65 WeakPolarHBondContact O-CG1 3.47Å; A61-I65 PolarHBondContact O-N 2.74Å; I65-I68 PolarHBondContact O-N 3.43Å; I65-A69 WeakPolarHBondContact O-CB 3.28Å; I65-A69 PolarHBondContact O-N 3.08Å; I65-V129 HydrophobicContact CG2-CG1 4.36Å; I65-V129 HydrophobicContact CG2-CG2 4.02Å; I65-M132 HydrophobicContact CD1-CB 4.29Å |
| 66 | S | 89.7 | Confident | 88.5 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | P62 V63 G64 G70 | P62-S66 VanDerWaalsContact O-CB 3.3Å; P62-S66 WeakPolarHBondContact O-CB 3.44Å; P62-S66 PolarHBondContact O-N 3.3Å; P62-S66 PolarHBondContact O-OG 3.33Å; V63-S66 PolarHBondContact O-N 3.43Å; G64-S66 VanDerWaalsContact C-N 3.33Å; G64-S66 PolarHBondContact O-N 2.98Å; S66-G70 PolarHBondContact O-N 2.9Å |
| 67 | L | 93.1 | Very high | 89.1 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 61% | 0.607 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 176.9 | -178.5 | 63.5 | 0 | 0 | 0 | 111.9 | V63 G64 G70 I71 | V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 PolarHBondContact O-N 3.49Å; G64-L67 PolarHBondContact O-N 3.23Å; L67-G70 PolarHBondContact O-N 3.21Å; L67-I71 HydrophobicContact CD1-CD1 4.5Å; L67-I71 PolarHBondContact O-N 3Å |
| 68 | I | 90.9 | Very high | 89.7 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 178.4 | -67.3 | 164.7 | 0 | 0 | 0 | 110.3 | G64 I65 G70 I71 A72 | G64-I68 WeakPolarHBondContact O-CB 3.38Å; G64-I68 WeakPolarHBondContact O-CD1 3.31Å; G64-I68 VanDerWaalsContact O-CG1 3.24Å; G64-I68 WeakPolarHBondContact O-CG1 3.42Å; G64-I68 PolarHBondContact O-N 3Å; I65-I68 PolarHBondContact O-N 3.43Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.49Å; I68-I71 PolarHBondContact O-N 3.29Å; I68-A72 VanDerWaalsContact O-CB 3.23Å; I68-A72 WeakPolarHBondContact O-CB 3.29Å; I68-A72 PolarHBondContact O-N 3.46Å |
| 69 | A | 89.8 | Confident | 90.3 | Very high | 19 Ų | 19 | 66.3 Ų | 66.3 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I65 I71 A72 I73 | I65-A69 WeakPolarHBondContact O-CB 3.28Å; I65-A69 PolarHBondContact O-N 3.08Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 2.88Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-I73 WeakPolarHBondContact O-CB 3.31Å; A69-I73 WeakPolarHBondContact O-CD1 3.38Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 2.83Å |
| 70 | G | 92.3 | Very high | 90.7 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -30.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S66 L67 I68 P74 | S66-G70 PolarHBondContact O-N 2.9Å; L67-G70 PolarHBondContact O-N 3.21Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.49Å; G70-P74 WeakPolarHBondContact O-CD 3.29Å; G70-P74 WeakPolarHBondContact O-CG 3.38Å |
| 71 | I | 93.7 | Very high | 91 | Very high | 116 Ų | 116 | 62.6 Ų | 62.6 | 60% | 0.595 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -87.7 | -39.6 | 174.7 | -60.9 | 168.6 | 0 | 0 | 0 | 111.1 | L67 I68 A69 P74 A75 | L67-I71 HydrophobicContact CD1-CD1 4.5Å; L67-I71 PolarHBondContact O-N 3Å; I68-I71 PolarHBondContact O-N 3.29Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 2.88Å; I71-P74 WeakPolarHBondContact O-CD 3.5Å; I71-A75 WeakPolarHBondContact O-CB 3.4Å; I71-A75 PolarHBondContact O-N 3.35Å |
| 72 | A | 90.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 65 Ų | 65 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I68 A69 A75 M76 | I68-A72 VanDerWaalsContact O-CB 3.23Å; I68-A72 WeakPolarHBondContact O-CB 3.29Å; I68-A72 PolarHBondContact O-N 3.46Å; A69-A72 PolarHBondContact O-N 2.95Å; A72-A75 PolarHBondContact O-N 3.28Å; A72-M76 WeakPolarHBondContact O-CB 3.46Å; A72-M76 VanDerWaalsContact O-CG 3.3Å; A72-M76 WeakPolarHBondContact O-CG 3.5Å; A72-M76 PolarHBondContact O-N 3.44Å |
| 73 | I | 91.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 70.8 Ų | 70.8 | 34% | 0.338 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -55.1 | -179.4 | -67.9 | 160.9 | 0 | 0 | 0 | 111.3 | A69 A75 M76 V77 V125 | A69-I73 WeakPolarHBondContact O-CB 3.31Å; A69-I73 WeakPolarHBondContact O-CD1 3.38Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 2.83Å; I73-A75 VanDerWaalsContact C-N 3.32Å; I73-A75 PolarHBondContact O-N 3.24Å; I73-M76 PolarHBondContact O-N 2.88Å; I73-V77 HydrophobicContact CG2-CG2 4.39Å; I73-V77 WeakPolarHBondContact O-CB 3.04Å; I73-V77 VanDerWaalsContact O-CG2 3.28Å; I73-V77 WeakPolarHBondContact O-CG2 3.3Å; I73-V77 PolarHBondContact O-N 2.77Å; I73-V125 HydrophobicContact CD1-CG1 4.4Å; I73-V125 HydrophobicContact CD1-CG2 4.04Å; I73-V125 HydrophobicContact CG1-CG2 4Å |
| 74 | P | 92.2 | Very high | 91.9 | Very high | 66 Ų | 66 | 68 Ų | 68 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 174.1 | -24.9 | 34 | 0 | 0 | 0 | 113.3 | G70 I71 M76 V77 I78 | G70-P74 WeakPolarHBondContact O-CD 3.29Å; G70-P74 WeakPolarHBondContact O-CG 3.38Å; I71-P74 WeakPolarHBondContact O-CD 3.5Å; P74-M76 VanDerWaalsContact C-N 3.34Å; P74-M76 PolarHBondContact O-N 2.86Å; P74-V77 PolarHBondContact O-N 2.81Å; P74-I78 WeakPolarHBondContact O-CG1 3.21Å; P74-I78 PolarHBondContact O-N 2.84Å |
| 75 | A | 93.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 51% | 0.512 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I71 A72 I73 G79 | I71-A75 WeakPolarHBondContact O-CB 3.4Å; I71-A75 PolarHBondContact O-N 3.35Å; A72-A75 PolarHBondContact O-N 3.28Å; I73-A75 VanDerWaalsContact C-N 3.32Å; I73-A75 PolarHBondContact O-N 3.24Å; A75-G79 VanDerWaalsContact O-CA 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.28Å; A75-G79 PolarHBondContact O-N 2.98Å |
| 76 | M | 90.8 | Very high | 91.9 | Very high | 105 Ų | 105 | 74.4 Ų | 74.4 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.3 | -47.1 | 175.3 | -70.9 | -65.1 | 174.8 | 0 | 0 | 111.9 | A72 I73 P74 I78 G79 I80 S117 | A72-M76 WeakPolarHBondContact O-CB 3.46Å; A72-M76 VanDerWaalsContact O-CG 3.3Å; A72-M76 WeakPolarHBondContact O-CG 3.5Å; A72-M76 PolarHBondContact O-N 3.44Å; I73-M76 PolarHBondContact O-N 2.88Å; P74-M76 VanDerWaalsContact C-N 3.34Å; P74-M76 PolarHBondContact O-N 2.86Å; M76-I78 PolarHBondContact O-N 2.89Å; M76-G79 PolarHBondContact O-N 3.33Å; M76-I80 HydrophobicContact CB-CD1 4.31Å; M76-I80 WeakPolarHBondContact O-CB 3.26Å; M76-I80 WeakPolarHBondContact O-CG1 3.47Å; M76-I80 PolarHBondContact O-N 3.01Å; M76-I80 HydrophobicContact SD-CD1 4.19Å; M76-I80 HydrophobicContact SD-CG1 4.47Å; M76-S117 PolarHBondContact O-OG 3Å; M76-S117 VanDerWaalsContact O-OG 3.08Å |
| 77 | V | 92.8 | Very high | 92 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 30% | 0.303 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.3 | -36 | -179.2 | 169.1 | 0 | 0 | 0 | 0 | 112.5 | I73 P74 P81 S117 P118 | I73-V77 HydrophobicContact CG2-CG2 4.39Å; I73-V77 WeakPolarHBondContact O-CB 3.04Å; I73-V77 VanDerWaalsContact O-CG2 3.28Å; I73-V77 WeakPolarHBondContact O-CG2 3.3Å; I73-V77 PolarHBondContact O-N 2.77Å; P74-V77 PolarHBondContact O-N 2.81Å; V77-P81 WeakPolarHBondContact O-CD 3.3Å; V77-P81 WeakPolarHBondContact O-CG 3.3Å; V77-S117 WeakPolarHBondContact CA-OG 3.07Å; V77-P118 HydrophobicContact CG1-CG 4.36Å; V77-P118 HydrophobicContact CG2-CB 4.47Å; V77-P118 HydrophobicContact CG2-CG 4.25Å |
| 78 | I | 92.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 72 Ų | 72 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -90.8 | -40 | 176.9 | -59.6 | 170.1 | 0 | 0 | 0 | 111.2 | P74 M76 P81 V82 | P74-I78 WeakPolarHBondContact O-CG1 3.21Å; P74-I78 PolarHBondContact O-N 2.84Å; M76-I78 PolarHBondContact O-N 2.89Å; I78-P81 WeakPolarHBondContact O-CD 3.32Å; I78-V82 HydrophobicContact CG2-CG2 4.48Å; I78-V82 WeakPolarHBondContact O-CG2 3.44Å; I78-V82 PolarHBondContact O-N 3.29Å |
| 79 | G | 93.4 | Very high | 91.6 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A75 M76 V82 Y83 | A75-G79 VanDerWaalsContact O-CA 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.28Å; A75-G79 PolarHBondContact O-N 2.98Å; M76-G79 PolarHBondContact O-N 3.33Å; G79-V82 PolarHBondContact O-N 2.84Å; G79-Y83 VanDerWaalsContact O-CB 3.26Å; G79-Y83 WeakPolarHBondContact O-CB 3.31Å; G79-Y83 PolarHBondContact O-N 3.04Å |
| 80 | I | 93.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 72.7 Ų | 72.7 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | -178.5 | -70 | 171.2 | 0 | 0 | 0 | 111.3 | M76 V82 Y83 V84 S117 | M76-I80 HydrophobicContact CB-CD1 4.31Å; M76-I80 WeakPolarHBondContact O-CB 3.26Å; M76-I80 WeakPolarHBondContact O-CG1 3.47Å; M76-I80 PolarHBondContact O-N 3.01Å; M76-I80 HydrophobicContact SD-CD1 4.19Å; M76-I80 HydrophobicContact SD-CG1 4.47Å; I80-V82 PolarHBondContact O-N 3.45Å; I80-Y83 PolarHBondContact O-N 2.8Å; I80-V84 HydrophobicContact CG2-CG2 4.35Å; I80-V84 WeakPolarHBondContact O-CB 3.33Å; I80-V84 VanDerWaalsContact O-CG2 3.31Å; I80-V84 WeakPolarHBondContact O-CG2 3.5Å; I80-V84 PolarHBondContact O-N 3.29Å; I80-S117 WeakPolarHBondContact CD1-OG 3.36Å |
| 81 | P | 92.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 79.3 Ų | 79.3 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.9 | -26.5 | 35.7 | 0 | 0 | 0 | 114.9 | V77 I78 G85 S113 V114 | V77-P81 WeakPolarHBondContact O-CD 3.3Å; V77-P81 WeakPolarHBondContact O-CG 3.3Å; I78-P81 WeakPolarHBondContact O-CD 3.32Å; P81-G85 PolarHBondContact O-N 2.89Å; P81-S113 VanDerWaalsContact CA-OG 3.28Å; P81-S113 WeakPolarHBondContact CA-OG 3.32Å; P81-V114 HydrophobicContact CB-CG2 3.77Å; P81-V114 HydrophobicContact CG-CB 4.43Å; P81-V114 HydrophobicContact CG-CG2 3.7Å |
| 82 | V | 92.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 76.6 Ų | 76.6 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I78 G79 I80 R86 | I78-V82 HydrophobicContact CG2-CG2 4.48Å; I78-V82 WeakPolarHBondContact O-CG2 3.44Å; I78-V82 PolarHBondContact O-N 3.29Å; G79-V82 PolarHBondContact O-N 2.84Å; I80-V82 PolarHBondContact O-N 3.45Å; V82-R86 WeakPolarHBondContact O-CB 3.19Å; V82-R86 PolarHBondContact O-N 3.42Å |
| 83 | Y | 93.2 | Very high | 90.3 | Very high | 141 Ų | 141 | 80.6 Ų | 80.6 | 55% | 0.553 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.8 | -48.4 | 175.9 | 177.4 | -98 | 0 | 0 | 0 | 111.9 | G79 I80 R86 K87 | G79-Y83 VanDerWaalsContact O-CB 3.26Å; G79-Y83 WeakPolarHBondContact O-CB 3.31Å; G79-Y83 PolarHBondContact O-N 3.04Å; I80-Y83 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 3.49Å; Y83-K87 HydrophobicContact CE1-CD 3.64Å; Y83-K87 WeakPolarHBondContact O-CB 3.25Å; Y83-K87 PolarHBondContact O-N 3.29Å; Y83-K87 PolarHBondContact OH-NZ 3.38Å |
| 84 | V | 92.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62 | -47 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | I80 R86 K87 I88 | I80-V84 HydrophobicContact CG2-CG2 4.35Å; I80-V84 WeakPolarHBondContact O-CB 3.33Å; I80-V84 VanDerWaalsContact O-CG2 3.31Å; I80-V84 WeakPolarHBondContact O-CG2 3.5Å; I80-V84 PolarHBondContact O-N 3.29Å; V84-R86 PolarHBondContact O-N 2.77Å; V84-K87 PolarHBondContact O-N 3.44Å; V84-I88 HydrophobicContact CG1-CD1 3.54Å; V84-I88 HydrophobicContact CG1-CG1 4.28Å; V84-I88 WeakPolarHBondContact O-CB 3.23Å; V84-I88 VanDerWaalsContact O-CG1 3.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.47Å; V84-I88 PolarHBondContact O-N 3Å |
| 85 | G | 89.3 | Confident | 88.8 | Confident | 14 Ų | 14 | 86.2 Ų | 86.2 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P81 I88 H89 | P81-G85 PolarHBondContact O-N 2.89Å; G85-I88 PolarHBondContact O-N 3.05Å; G85-H89 WeakPolarHBondContact O-CB 3.41Å; G85-H89 PolarHBondContact O-N 3.38Å |
| 86 | R | 90.4 | Very high | 88 | Confident | 191 Ų | 191 | 94 Ų | 94 | 72% | 0.721 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 177.9 | -173.1 | -179.2 | -69.8 | 172.5 | -2.2 | 112.2 | V82 Y83 V84 H89 S90 | V82-R86 WeakPolarHBondContact O-CB 3.19Å; V82-R86 PolarHBondContact O-N 3.42Å; Y83-R86 PolarHBondContact O-N 3.49Å; V84-R86 PolarHBondContact O-N 2.77Å; R86-H89 PolarHBondContact O-N 2.97Å; R86-S90 PolarHBondContact O-N 3.28Å; R86-S90 VanDerWaalsContact O-N 3.07Å |
| 87 | K | 91.3 | Very high | 87.4 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 46% | 0.457 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 179.7 | -169.8 | 169.3 | -168.8 | 171.4 | 0 | 111.9 | Y83 V84 R91 | Y83-K87 HydrophobicContact CE1-CD 3.64Å; Y83-K87 WeakPolarHBondContact O-CB 3.25Å; Y83-K87 PolarHBondContact O-N 3.29Å; Y83-K87 PolarHBondContact OH-NZ 3.38Å; V84-K87 PolarHBondContact O-N 3.44Å; K87-R91 WeakPolarHBondContact O-CG 3.28Å; K87-R91 PolarHBondContact O-N 2.84Å |
| 88 | I | 88.8 | Confident | 86.9 | Confident | 38 Ų | 38 | 92.3 Ų | 92.3 | 20% | 0.195 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 175 | -66.6 | 173.3 | 0 | 0 | 0 | 110.3 | V84 G85 S90 R91 Y92 I106 | V84-I88 HydrophobicContact CG1-CD1 3.54Å; V84-I88 HydrophobicContact CG1-CG1 4.28Å; V84-I88 WeakPolarHBondContact O-CB 3.23Å; V84-I88 VanDerWaalsContact O-CG1 3.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.47Å; V84-I88 PolarHBondContact O-N 3Å; G85-I88 PolarHBondContact O-N 3.05Å; I88-S90 PolarHBondContact O-N 3.16Å; I88-R91 PolarHBondContact O-N 3.08Å; I88-Y92 HydrophobicContact CG2-CD2 3.63Å; I88-Y92 HydrophobicContact CG2-CE2 3.63Å; I88-Y92 VanDerWaalsContact O-CD2 3.29Å; I88-Y92 WeakPolarHBondContact O-CD2 3.42Å; I88-Y92 PolarHBondContact O-N 2.87Å; I88-I106 HydrophobicContact CG2-CB 4.44Å; I88-I106 HydrophobicContact CG2-CG1 3.74Å |
| 89 | H | 87.4 | Confident | 86.4 | Confident | 75 Ų | 75 | 95 Ų | 95 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -53.4 | -55.9 | 177.2 | -174 | -82.5 | 0 | 0 | 0 | 111.9 | G85 R86 R91 Y92 E93 | G85-H89 WeakPolarHBondContact O-CB 3.41Å; G85-H89 PolarHBondContact O-N 3.38Å; R86-H89 PolarHBondContact O-N 2.97Å; H89-R91 VanDerWaalsContact C-N 3.27Å; H89-R91 PolarHBondContact O-N 3.13Å; H89-Y92 CarbonylContact O-C 3.58Å; H89-Y92 PolarHBondContact O-N 3.48Å; H89-E93 IonicContact CE1-OE1 3.87Å; H89-E93 IonicContact CE1-OE2 3.2Å; H89-E93 IonicContact ND1-OE2 2.77Å; H89-E93 PolarHBondContact ND1-OE2 3.22Å; H89-E93 PolarHBondContact O-N 3.38Å |
| 90 | S | 88.1 | Confident | 86 | Confident | 78 Ų | 78 | 101.2 Ų | 101.2 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | R86 I88 Y92 E93 | R86-S90 PolarHBondContact O-N 3.28Å; R86-S90 VanDerWaalsContact O-N 3.07Å; I88-S90 PolarHBondContact O-N 3.16Å; S90-Y92 VanDerWaalsContact C-N 3.3Å; S90-Y92 PolarHBondContact O-N 3.26Å; S90-E93 PolarHBondContact O-N 3.11Å |
| 91 | R | 85.8 | Confident | 85.7 | Confident | 185 Ų | 185 | 105.6 Ų | 105.6 | 70% | 0.698 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.6 | -21.8 | 176.6 | -71.2 | -68.7 | -170.7 | -177.8 | 2.2 | 114.3 | K87 I88 H89 | K87-R91 WeakPolarHBondContact O-CG 3.28Å; K87-R91 PolarHBondContact O-N 2.84Å; I88-R91 PolarHBondContact O-N 3.08Å; H89-R91 VanDerWaalsContact C-N 3.27Å; H89-R91 PolarHBondContact O-N 3.13Å |
| 92 | Y | 84.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 23% | 0.231 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -101.6 | -7 | 176.5 | -76.3 | -69.7 | 0 | 0 | 0 | 114.3 | I88 H89 S90 R95 T97 R102 A105 | I88-Y92 HydrophobicContact CG2-CD2 3.63Å; I88-Y92 HydrophobicContact CG2-CE2 3.63Å; I88-Y92 VanDerWaalsContact O-CD2 3.29Å; I88-Y92 WeakPolarHBondContact O-CD2 3.42Å; I88-Y92 PolarHBondContact O-N 2.87Å; H89-Y92 CarbonylContact O-C 3.58Å; H89-Y92 PolarHBondContact O-N 3.48Å; S90-Y92 VanDerWaalsContact C-N 3.3Å; S90-Y92 PolarHBondContact O-N 3.26Å; Y92-R95 PolarHBondContact O-N 3.46Å; Y92-T97 HydrophobicContact CD1-CG2 3.81Å; Y92-T97 HydrophobicContact CE1-CG2 4.46Å; Y92-R102 HydrophobicContact CG-CG 4.07Å; Y92-A105 HydrophobicContact CD2-CB 4.44Å; Y92-A105 HydrophobicContact CE2-CB 3.52Å; Y92-A105 WeakPolarHBondContact OH-CB 3.29Å |
| 93 | E | 79.5 | Confident | 85.2 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 179.9 | -161.2 | 150.5 | -162.7 | 0 | 0 | 112 | H89 S90 | H89-E93 IonicContact CE1-OE1 3.87Å; H89-E93 IonicContact CE1-OE2 3.2Å; H89-E93 IonicContact ND1-OE2 2.77Å; H89-E93 PolarHBondContact ND1-OE2 3.22Å; H89-E93 PolarHBondContact O-N 3.38Å; S90-E93 PolarHBondContact O-N 3.11Å |
| 94 | G | 72.6 | Confident | 85 | Confident | 79 Ų | 79 | 108.5 Ų | 108.5 | 81% | 0.814 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 5.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 95 | R | 80.3 | Confident | 84.9 | Confident | 170 Ų | 170 | 108 Ų | 108 | 64% | 0.642 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -106.5 | 131.3 | -178.1 | -71.7 | -173.9 | 175.4 | -166.1 | -1.8 | 111.4 | Y92 T97 | Y92-R95 PolarHBondContact O-N 3.46Å; R95-T97 HydrophobicContact CB-CG2 4.34Å; R95-T97 PolarHBondContact O-N 3.21Å |
| 96 | K | 76.6 | Confident | 85 | Confident | 226 Ų | 226 | 108.9 Ų | 108.9 | 98% | 0.983 | 52% | 0.523 | S | S | * | . | trans | -70.5 | 48.2 | 171 | -61.7 | -176 | -179 | 179.7 | 0 | 112.9 | ||||
| 97 | T | 76.5 | Confident | 85 | Confident | 44 Ų | 44 | 103.8 Ų | 103.8 | 27% | 0.27 | 51% | 0.514 | S | S | . | . | trans | -87.1 | 152.5 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | Y92 R95 R102 | Y92-T97 HydrophobicContact CD1-CG2 3.81Å; Y92-T97 HydrophobicContact CE1-CG2 4.46Å; R95-T97 HydrophobicContact CB-CG2 4.34Å; R95-T97 PolarHBondContact O-N 3.21Å; T97-R102 HydrophobicContact CG2-CB 3.92Å | ||
| 98 | S | 82.1 | Confident | 85.1 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | trans | -61.7 | 146.2 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | H100 K101 R102 | S98-H100 VanDerWaalsContact C-N 3.3Å; S98-H100 PolarHBondContact O-N 2.68Å; S98-K101 PolarHBondContact O-N 3.35Å; S98-K101 VanDerWaalsContact O-N 3.09Å; S98-K101 WeakPolarHBondContact OG-CB 3.38Å; S98-R102 PolarHBondContact O-N 3.36Å; S98-R102 VanDerWaalsContact O-N 3.08Å | ||
| 99 | K | 83.1 | Confident | 85.3 | Confident | 172 Ų | 172 | 99.8 Ų | 99.8 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -54.4 | -44.2 | -177.6 | -65.1 | 179.3 | -178.8 | 176.9 | 0 | 111.8 | R102 N103 | K99-R102 PolarHBondContact O-N 2.91Å; K99-N103 WeakPolarHBondContact O-CB 3.35Å; K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 3.38Å; K99-N103 PolarHBondContact O-OD1 3.49Å |
| 100 | H | 85.9 | Confident | 85.6 | Confident | 166 Ų | 166 | 98.3 Ų | 98.3 | 77% | 0.769 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 176.5 | -85.2 | -68.9 | 0 | 0 | 0 | 113.1 | S98 R102 N103 L104 | S98-H100 VanDerWaalsContact C-N 3.3Å; S98-H100 PolarHBondContact O-N 2.68Å; H100-R102 VanDerWaalsContact C-N 3.33Å; H100-R102 PolarHBondContact O-N 3.25Å; H100-N103 PolarHBondContact O-N 3.37Å; H100-L104 VanDerWaalsContact O-CB 3.29Å; H100-L104 WeakPolarHBondContact O-CB 3.29Å; H100-L104 PolarHBondContact O-N 2.85Å |
| 101 | K | 86.2 | Confident | 85.9 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -34.7 | -179.1 | -170.6 | 171 | -174.2 | 172.3 | 0 | 112.1 | S98 A105 | S98-K101 PolarHBondContact O-N 3.35Å; S98-K101 VanDerWaalsContact O-N 3.09Å; S98-K101 WeakPolarHBondContact OG-CB 3.38Å; K101-A105 WeakPolarHBondContact O-CB 3.34Å; K101-A105 PolarHBondContact O-N 2.92Å |
| 102 | R | 86.6 | Confident | 86.3 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -51.3 | 171 | -179.2 | 171 | 76.4 | 176.7 | 9.5 | 111.7 | Y92 T97 S98 K99 H100 L104 A105 I106 | Y92-R102 HydrophobicContact CG-CG 4.07Å; T97-R102 HydrophobicContact CG2-CB 3.92Å; S98-R102 PolarHBondContact O-N 3.36Å; S98-R102 VanDerWaalsContact O-N 3.08Å; K99-R102 PolarHBondContact O-N 2.91Å; H100-R102 VanDerWaalsContact C-N 3.33Å; H100-R102 PolarHBondContact O-N 3.25Å; R102-L104 VanDerWaalsContact C-N 3.35Å; R102-L104 PolarHBondContact O-N 2.84Å; R102-A105 PolarHBondContact O-N 2.91Å; R102-I106 HydrophobicContact CG-CD1 3.73Å; R102-I106 HydrophobicContact CG-CG1 4.49Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 2.93Å |
| 103 | N | 87.9 | Confident | 86.7 | Confident | 84 Ų | 84 | 92.9 Ų | 92.9 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | -177.1 | -69.6 | 12.2 | 0 | 0 | 0 | 111.5 | K99 H100 A105 I106 T107 | K99-N103 WeakPolarHBondContact O-CB 3.35Å; K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 3.38Å; K99-N103 PolarHBondContact O-OD1 3.49Å; H100-N103 PolarHBondContact O-N 3.37Å; N103-A105 PolarHBondContact O-N 3.2Å; N103-I106 PolarHBondContact O-N 3.32Å; N103-T107 WeakPolarHBondContact O-CB 3.44Å; N103-T107 PolarHBondContact O-N 2.79Å; N103-T107 PolarHBondContact O-OG1 2.79Å; N103-T107 VanDerWaalsContact O-OG1 3.11Å |
| 104 | L | 90.1 | Very high | 87.5 | Confident | 134 Ų | 134 | 90.6 Ų | 90.6 | 70% | 0.702 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 174.6 | -170.7 | 74.2 | 0 | 0 | 0 | 111.9 | H100 R102 G108 | H100-L104 VanDerWaalsContact O-CB 3.29Å; H100-L104 WeakPolarHBondContact O-CB 3.29Å; H100-L104 PolarHBondContact O-N 2.85Å; R102-L104 VanDerWaalsContact C-N 3.35Å; R102-L104 PolarHBondContact O-N 2.84Å; L104-G108 PolarHBondContact O-N 2.86Å |
| 105 | A | 89.7 | Confident | 88.5 | Confident | 29 Ų | 29 | 92.3 Ų | 92.3 | 24% | 0.24 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y92 K101 R102 N103 G109 | Y92-A105 HydrophobicContact CD2-CB 4.44Å; Y92-A105 HydrophobicContact CE2-CB 3.52Å; Y92-A105 WeakPolarHBondContact OH-CB 3.29Å; K101-A105 WeakPolarHBondContact O-CB 3.34Å; K101-A105 PolarHBondContact O-N 2.92Å; R102-A105 PolarHBondContact O-N 2.91Å; N103-A105 PolarHBondContact O-N 3.2Å; A105-G109 PolarHBondContact O-N 3.25Å |
| 106 | I | 90.4 | Very high | 89.1 | Confident | 32 Ų | 32 | 86 Ų | 86 | 16% | 0.164 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.8 | -54.4 | 174.8 | -66.6 | 165.7 | 0 | 0 | 0 | 110.1 | I88 R102 N103 G108 G109 V110 | I88-I106 HydrophobicContact CG2-CB 4.44Å; I88-I106 HydrophobicContact CG2-CG1 3.74Å; R102-I106 HydrophobicContact CG-CD1 3.73Å; R102-I106 HydrophobicContact CG-CG1 4.49Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 2.93Å; N103-I106 PolarHBondContact O-N 3.32Å; I106-G108 PolarHBondContact O-N 3.45Å; I106-G109 PolarHBondContact O-N 2.93Å; I106-V110 HydrophobicContact CG2-CG2 4.48Å; I106-V110 WeakPolarHBondContact O-CG2 3.29Å; I106-V110 PolarHBondContact O-N 3.29Å |
| 107 | T | 91.1 | Very high | 90 | Very high | 85 Ų | 85 | 75.2 Ų | 75.2 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | -179 | -58 | 0 | 0 | 0 | 0 | 111.1 | N103 G109 V110 T111 | N103-T107 WeakPolarHBondContact O-CB 3.44Å; N103-T107 PolarHBondContact O-N 2.79Å; N103-T107 PolarHBondContact O-OG1 2.79Å; N103-T107 VanDerWaalsContact O-OG1 3.11Å; T107-G109 PolarHBondContact O-N 3.27Å; T107-V110 PolarHBondContact O-N 3.23Å; T107-T111 WeakPolarHBondContact O-CB 3.43Å; T107-T111 PolarHBondContact O-N 3.39Å; T107-T111 PolarHBondContact O-OG1 3.35Å |
| 108 | G | 93.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L104 I106 L112 | L104-G108 PolarHBondContact O-N 2.86Å; I106-G108 PolarHBondContact O-N 3.45Å; G108-L112 VanDerWaalsContact O-CB 3.25Å; G108-L112 WeakPolarHBondContact O-CB 3.24Å; G108-L112 PolarHBondContact O-N 2.84Å |
| 109 | G | 92.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 76.3 Ų | 76.3 | 19% | 0.186 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A105 I106 T107 S113 | A105-G109 PolarHBondContact O-N 3.25Å; I106-G109 PolarHBondContact O-N 2.93Å; T107-G109 PolarHBondContact O-N 3.27Å; G109-S113 WeakPolarHBondContact O-CB 3.49Å; G109-S113 PolarHBondContact O-N 3.49Å; G109-S113 PolarHBondContact O-OG 3.32Å |
| 110 | V | 94.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 73 Ų | 73 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -51.4 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I106 T107 L112 S113 V114 | I106-V110 HydrophobicContact CG2-CG2 4.48Å; I106-V110 WeakPolarHBondContact O-CG2 3.29Å; I106-V110 PolarHBondContact O-N 3.29Å; T107-V110 PolarHBondContact O-N 3.23Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.06Å; V110-S113 WeakPolarHBondContact CA-OG 3.49Å; V110-S113 PolarHBondContact O-N 3.2Å; V110-S113 PolarHBondContact O-OG 3.1Å; V110-V114 HydrophobicContact CG1-CG2 4.35Å; V110-V114 WeakPolarHBondContact O-CG2 3.21Å; V110-V114 PolarHBondContact O-N 3.37Å |
| 111 | T | 93.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | T107 S113 V114 I115 | T107-T111 WeakPolarHBondContact O-CB 3.43Å; T107-T111 PolarHBondContact O-N 3.39Å; T107-T111 PolarHBondContact O-OG1 3.35Å; T111-S113 VanDerWaalsContact C-N 3.34Å; T111-S113 PolarHBondContact O-N 2.71Å; T111-V114 PolarHBondContact O-N 3.37Å; T111-I115 HydrophobicContact CG2-CD1 4.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.47Å; T111-I115 PolarHBondContact O-N 3.42Å |
| 112 | L | 94.5 | Very high | 92.4 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 64% | 0.644 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62 | -42 | 175.3 | -177.5 | 62.4 | 0 | 0 | 0 | 111.7 | G108 V110 I115 A116 | G108-L112 VanDerWaalsContact O-CB 3.25Å; G108-L112 WeakPolarHBondContact O-CB 3.24Å; G108-L112 PolarHBondContact O-N 2.84Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.06Å; L112-I115 PolarHBondContact O-N 2.87Å; L112-A116 WeakPolarHBondContact O-CB 3.23Å; L112-A116 PolarHBondContact O-N 3.21Å |
| 113 | S | 94.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 178.7 | 69.4 | 0 | 0 | 0 | 0 | 113.8 | P81 G109 V110 T111 I115 A116 S117 | P81-S113 VanDerWaalsContact CA-OG 3.28Å; P81-S113 WeakPolarHBondContact CA-OG 3.32Å; G109-S113 WeakPolarHBondContact O-CB 3.49Å; G109-S113 PolarHBondContact O-N 3.49Å; G109-S113 PolarHBondContact O-OG 3.32Å; V110-S113 WeakPolarHBondContact CA-OG 3.49Å; V110-S113 PolarHBondContact O-N 3.2Å; V110-S113 PolarHBondContact O-OG 3.1Å; T111-S113 VanDerWaalsContact C-N 3.34Å; T111-S113 PolarHBondContact O-N 2.71Å; S113-I115 VanDerWaalsContact C-N 3.29Å; S113-I115 PolarHBondContact O-N 3.47Å; S113-A116 PolarHBondContact O-N 3.04Å; S113-S117 WeakPolarHBondContact O-CB 3.44Å; S113-S117 PolarHBondContact O-N 3.44Å |
| 114 | V | 95.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 47% | 0.473 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | P81 V110 T111 P118 | P81-V114 HydrophobicContact CB-CG2 3.77Å; P81-V114 HydrophobicContact CG-CB 4.43Å; P81-V114 HydrophobicContact CG-CG2 3.7Å; V110-V114 HydrophobicContact CG1-CG2 4.35Å; V110-V114 WeakPolarHBondContact O-CG2 3.21Å; V110-V114 PolarHBondContact O-N 3.37Å; T111-V114 PolarHBondContact O-N 3.37Å; V114-P118 WeakPolarHBondContact O-CD 3.43Å; V114-P118 WeakPolarHBondContact O-CG 3.07Å |
| 115 | I | 94 | Very high | 93 | Very high | 114 Ų | 114 | 57.1 Ų | 57.1 | 59% | 0.585 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -80.6 | -42.6 | 177 | -61.3 | 166.4 | 0 | 0 | 0 | 111 | T111 L112 S113 | T111-I115 HydrophobicContact CG2-CD1 4.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.47Å; T111-I115 PolarHBondContact O-N 3.42Å; L112-I115 PolarHBondContact O-N 2.87Å; S113-I115 VanDerWaalsContact C-N 3.29Å; S113-I115 PolarHBondContact O-N 3.47Å |
| 116 | A | 93.7 | Very high | 93.1 | Very high | 37 Ų | 37 | 58 Ų | 58 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L112 S113 V119 I120 | L112-A116 WeakPolarHBondContact O-CB 3.23Å; L112-A116 PolarHBondContact O-N 3.21Å; S113-A116 PolarHBondContact O-N 3.04Å; A116-V119 PolarHBondContact O-N 3.28Å; A116-I120 HydrophobicContact CB-CD1 4.41Å; A116-I120 WeakPolarHBondContact O-CG1 3.11Å; A116-I120 PolarHBondContact O-N 3.05Å |
| 117 | S | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | -173.8 | -175.2 | 0 | 0 | 0 | 0 | 114.1 | M76 V77 I80 S113 V119 I120 A121 | M76-S117 PolarHBondContact O-OG 3Å; M76-S117 VanDerWaalsContact O-OG 3.08Å; V77-S117 WeakPolarHBondContact CA-OG 3.07Å; I80-S117 WeakPolarHBondContact CD1-OG 3.36Å; S113-S117 WeakPolarHBondContact O-CB 3.44Å; S113-S117 PolarHBondContact O-N 3.44Å; S117-V119 VanDerWaalsContact C-N 3.29Å; S117-V119 PolarHBondContact O-N 3.1Å; S117-I120 PolarHBondContact O-N 2.83Å; S117-A121 WeakPolarHBondContact O-CB 3.46Å; S117-A121 PolarHBondContact O-N 3.38Å |
| 118 | P | 93.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 173.4 | -24.4 | 34.7 | 0 | 0 | 0 | 112.9 | V77 V114 A121 A122 | V77-P118 HydrophobicContact CG1-CG 4.36Å; V77-P118 HydrophobicContact CG2-CB 4.47Å; V77-P118 HydrophobicContact CG2-CG 4.25Å; V114-P118 WeakPolarHBondContact O-CD 3.43Å; V114-P118 WeakPolarHBondContact O-CG 3.07Å; P118-A121 PolarHBondContact O-N 3.47Å; P118-A122 WeakPolarHBondContact O-CB 3.46Å; P118-A122 PolarHBondContact O-N 3.38Å |
| 119 | V | 94.2 | Very high | 93.2 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | A116 S117 A121 A122 V123 | A116-V119 PolarHBondContact O-N 3.28Å; S117-V119 VanDerWaalsContact C-N 3.29Å; S117-V119 PolarHBondContact O-N 3.1Å; V119-A121 PolarHBondContact O-N 3.41Å; V119-A122 PolarHBondContact O-N 3.48Å; V119-V123 HydrophobicContact CG1-CG2 4.37Å; V119-V123 WeakPolarHBondContact O-CB 3.35Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.41Å; V119-V123 PolarHBondContact O-N 3.03Å |
| 120 | I | 92.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.7 | -64.2 | 162.6 | 0 | 0 | 0 | 110.8 | A116 S117 S124 | A116-I120 HydrophobicContact CB-CD1 4.41Å; A116-I120 WeakPolarHBondContact O-CG1 3.11Å; A116-I120 PolarHBondContact O-N 3.05Å; S117-I120 PolarHBondContact O-N 2.83Å; I120-S124 WeakPolarHBondContact O-CB 3.41Å; I120-S124 PolarHBondContact O-N 3.46Å; I120-S124 PolarHBondContact O-OG 2.82Å |
| 121 | A | 91.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S117 P118 V119 S124 V125 | S117-A121 WeakPolarHBondContact O-CB 3.46Å; S117-A121 PolarHBondContact O-N 3.38Å; P118-A121 PolarHBondContact O-N 3.47Å; V119-A121 PolarHBondContact O-N 3.41Å; A121-S124 WeakPolarHBondContact CA-OG 3.23Å; A121-S124 PolarHBondContact O-OG 3.28Å; A121-S124 VanDerWaalsContact O-OG 3.04Å; A121-V125 WeakPolarHBondContact O-CB 3.36Å; A121-V125 VanDerWaalsContact O-CG2 3.29Å; A121-V125 WeakPolarHBondContact O-CG2 3.18Å; A121-V125 PolarHBondContact O-N 2.92Å |
| 122 | A | 91.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P118 V119 G126 | P118-A122 WeakPolarHBondContact O-CB 3.46Å; P118-A122 PolarHBondContact O-N 3.38Å; V119-A122 PolarHBondContact O-N 3.48Å; A122-G126 WeakPolarHBondContact O-CA 3.3Å; A122-G126 PolarHBondContact O-N 2.69Å |
| 123 | V | 94.5 | Very high | 92.2 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | V119 G126 I127 | V119-V123 HydrophobicContact CG1-CG2 4.37Å; V119-V123 WeakPolarHBondContact O-CB 3.35Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.41Å; V119-V123 PolarHBondContact O-N 3.03Å; V123-G126 PolarHBondContact O-N 3.09Å; V123-I127 HydrophobicContact CG1-CD1 3.78Å; V123-I127 WeakPolarHBondContact O-CB 3.34Å; V123-I127 WeakPolarHBondContact O-CG1 3.33Å; V123-I127 PolarHBondContact O-N 3.14Å |
| 124 | S | 90.8 | Very high | 91.9 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | I120 A121 G128 | I120-S124 WeakPolarHBondContact O-CB 3.41Å; I120-S124 PolarHBondContact O-N 3.46Å; I120-S124 PolarHBondContact O-OG 2.82Å; A121-S124 WeakPolarHBondContact CA-OG 3.23Å; A121-S124 PolarHBondContact O-OG 3.28Å; A121-S124 VanDerWaalsContact O-OG 3.04Å; S124-G128 VanDerWaalsContact O-CA 3.31Å; S124-G128 WeakPolarHBondContact O-CA 3.18Å; S124-G128 PolarHBondContact O-N 2.81Å |
| 125 | V | 91.9 | Very high | 91.4 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I73 A121 I127 V129 | I73-V125 HydrophobicContact CD1-CG1 4.4Å; I73-V125 HydrophobicContact CD1-CG2 4.04Å; I73-V125 HydrophobicContact CG1-CG2 4Å; A121-V125 WeakPolarHBondContact O-CB 3.36Å; A121-V125 VanDerWaalsContact O-CG2 3.29Å; A121-V125 WeakPolarHBondContact O-CG2 3.18Å; A121-V125 PolarHBondContact O-N 2.92Å; V125-I127 VanDerWaalsContact C-N 3.29Å; V125-I127 PolarHBondContact O-N 3.47Å; V125-V129 HydrophobicContact CG1-CG2 3.81Å; V125-V129 VanDerWaalsContact O-CB 3.29Å; V125-V129 WeakPolarHBondContact O-CB 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.22Å; V125-V129 PolarHBondContact O-N 2.89Å |
| 126 | G | 92.3 | Very high | 91 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.5 | -26.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | A122 V123 P130 | A122-G126 WeakPolarHBondContact O-CA 3.3Å; A122-G126 PolarHBondContact O-N 2.69Å; V123-G126 PolarHBondContact O-N 3.09Å; G126-P130 VanDerWaalsContact O-CD 3.23Å; G126-P130 WeakPolarHBondContact O-CD 3.33Å; G126-P130 VanDerWaalsContact O-CG 3.25Å; G126-P130 WeakPolarHBondContact O-CG 3.49Å |
| 127 | I | 94.6 | Very high | 90.5 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -95.3 | -45.8 | 172.7 | -62 | 173.5 | 0 | 0 | 0 | 110.7 | V123 V125 I131 | V123-I127 HydrophobicContact CG1-CD1 3.78Å; V123-I127 WeakPolarHBondContact O-CB 3.34Å; V123-I127 WeakPolarHBondContact O-CG1 3.33Å; V123-I127 PolarHBondContact O-N 3.14Å; V125-I127 VanDerWaalsContact C-N 3.29Å; V125-I127 PolarHBondContact O-N 3.47Å; I127-I131 HydrophobicContact CG2-CD1 3.66Å; I127-I131 VanDerWaalsContact O-CG1 3.29Å; I127-I131 WeakPolarHBondContact O-CG1 3.24Å; I127-I131 PolarHBondContact O-N 3.39Å |
| 128 | G | 90.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S124 I131 M132 | S124-G128 VanDerWaalsContact O-CA 3.31Å; S124-G128 WeakPolarHBondContact O-CA 3.18Å; S124-G128 PolarHBondContact O-N 2.81Å; G128-I131 PolarHBondContact O-N 3.4Å; G128-M132 WeakPolarHBondContact O-CB 3.4Å; G128-M132 WeakPolarHBondContact O-CG 3.31Å; G128-M132 PolarHBondContact O-N 2.94Å |
| 129 | V | 90.9 | Very high | 89.1 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.1 | -48.1 | -179.3 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | I65 V125 I131 M132 L133 | I65-V129 HydrophobicContact CG2-CG1 4.36Å; I65-V129 HydrophobicContact CG2-CG2 4.02Å; V125-V129 HydrophobicContact CG1-CG2 3.81Å; V125-V129 VanDerWaalsContact O-CB 3.29Å; V125-V129 WeakPolarHBondContact O-CB 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.22Å; V125-V129 PolarHBondContact O-N 2.89Å; V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 3.46Å; V129-M132 PolarHBondContact O-N 2.91Å; V129-L133 HydrophobicContact CG1-CD1 3.68Å; V129-L133 HydrophobicContact CG1-CG 4.02Å; V129-L133 WeakPolarHBondContact O-CB 3.1Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.15Å; V129-L133 PolarHBondContact O-N 3.31Å |
| 130 | P | 90.4 | Very high | 88.2 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 174.7 | -28.6 | 38.5 | 0 | 0 | 0 | 113.8 | G126 A134 | G126-P130 VanDerWaalsContact O-CD 3.23Å; G126-P130 WeakPolarHBondContact O-CD 3.33Å; G126-P130 VanDerWaalsContact O-CG 3.25Å; G126-P130 WeakPolarHBondContact O-CG 3.49Å; P130-A134 WeakPolarHBondContact O-CB 3.29Å; P130-A134 PolarHBondContact O-N 3.34Å |
| 131 | I | 91.5 | Very high | 87.2 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 54% | 0.538 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.7 | -68.2 | 172.6 | 0 | 0 | 0 | 110.8 | I127 G128 V129 A134 Y135 | I127-I131 HydrophobicContact CG2-CD1 3.66Å; I127-I131 VanDerWaalsContact O-CG1 3.29Å; I127-I131 WeakPolarHBondContact O-CG1 3.24Å; I127-I131 PolarHBondContact O-N 3.39Å; G128-I131 PolarHBondContact O-N 3.4Å; V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 3.46Å; I131-A134 PolarHBondContact O-N 3.34Å; I131-Y135 WeakPolarHBondContact O-CB 3.18Å; I131-Y135 PolarHBondContact O-N 2.66Å |
| 132 | M | 86.9 | Confident | 86.2 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 53% | 0.527 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.3 | -77 | -68.9 | 155.7 | 0 | 0 | 112.5 | I65 G128 V129 Y135 V136 | I65-M132 HydrophobicContact CD1-CB 4.29Å; G128-M132 WeakPolarHBondContact O-CB 3.4Å; G128-M132 WeakPolarHBondContact O-CG 3.31Å; G128-M132 PolarHBondContact O-N 2.94Å; V129-M132 PolarHBondContact O-N 2.91Å; M132-Y135 PolarHBondContact O-N 3.43Å; M132-V136 WeakPolarHBondContact O-CB 3.39Å; M132-V136 VanDerWaalsContact O-CG2 3.29Å; M132-V136 WeakPolarHBondContact O-CG2 3.16Å; M132-V136 PolarHBondContact O-N 3.46Å |
| 133 | L | 85.9 | Confident | 84.7 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 175 | -66.6 | 177.3 | 0 | 0 | 0 | 111.3 | P62 V129 Y135 V136 Y137 | P62-L133 HydrophobicContact CB-CD2 3.96Å; P62-L133 HydrophobicContact CG-CD2 4.22Å; V129-L133 HydrophobicContact CG1-CD1 3.68Å; V129-L133 HydrophobicContact CG1-CG 4.02Å; V129-L133 WeakPolarHBondContact O-CB 3.1Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.15Å; V129-L133 PolarHBondContact O-N 3.31Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.99Å; L133-V136 PolarHBondContact O-N 2.73Å; L133-Y137 HydrophobicContact CB-CD2 4.3Å; L133-Y137 HydrophobicContact CD2-CD2 4.48Å; L133-Y137 HydrophobicContact CD2-CE2 4.1Å; L133-Y137 WeakPolarHBondContact O-CB 3.09Å; L133-Y137 WeakPolarHBondContact O-CD2 3.49Å; L133-Y137 PolarHBondContact O-N 3.15Å |
| 134 | A | 87.6 | Confident | 83.1 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -33.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P130 I131 G138 | P130-A134 WeakPolarHBondContact O-CB 3.29Å; P130-A134 PolarHBondContact O-N 3.34Å; I131-A134 PolarHBondContact O-N 3.34Å; A134-G138 VanDerWaalsContact O-CA 3.22Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.43Å |
| 135 | Y | 86 | Confident | 81.6 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -68.2 | -50.2 | 172.1 | -176.4 | -98.1 | 0 | 0 | 0 | 112 | L29 I131 M132 L133 Y137 V139 V140 | L29-Y135 WeakPolarHBondContact CD1-OH 3.04Å; L29-Y135 VanDerWaalsContact CD2-OH 3.29Å; L29-Y135 WeakPolarHBondContact CD2-OH 3.36Å; I131-Y135 WeakPolarHBondContact O-CB 3.18Å; I131-Y135 PolarHBondContact O-N 2.66Å; M132-Y135 PolarHBondContact O-N 3.43Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.99Å; Y135-Y137 PolarHBondContact O-N 3.45Å; Y135-V139 HydrophobicContact CD2-CB 3.75Å; Y135-V139 HydrophobicContact CD2-CG1 4.09Å; Y135-V139 HydrophobicContact CD2-CG2 3.82Å; Y135-V139 HydrophobicContact CE2-CB 3.96Å; Y135-V139 HydrophobicContact CE2-CG1 3.77Å; Y135-V139 HydrophobicContact CE2-CG2 4.32Å; Y135-V139 HydrophobicContact CG-CB 4.39Å; Y135-V139 WeakPolarHBondContact O-CB 3.21Å; Y135-V139 PolarHBondContact O-N 3.04Å; Y135-V140 HydrophobicContact CD1-CG2 4.46Å; Y135-V140 HydrophobicContact CE1-CG2 4.24Å; Y135-V140 PolarHBondContact O-N 2.95Å |
| 136 | V | 84.6 | Confident | 80.2 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -65.5 | -34.5 | -179.7 | 169.2 | 0 | 0 | 0 | 0 | 113 | A61 M132 L133 P141 | A61-V136 HydrophobicContact CB-CG1 4.16Å; A61-V136 HydrophobicContact CB-CG2 4.36Å; M132-V136 WeakPolarHBondContact O-CB 3.39Å; M132-V136 VanDerWaalsContact O-CG2 3.29Å; M132-V136 WeakPolarHBondContact O-CG2 3.16Å; M132-V136 PolarHBondContact O-N 3.46Å; L133-V136 PolarHBondContact O-N 2.73Å; V136-P141 WeakPolarHBondContact O-CD 2.99Å |
| 137 | Y | 83.4 | Confident | 78.5 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -98.6 | -24.9 | -178.7 | -74 | -66.8 | 0 | 0 | 0 | 114.6 | L58 P62 L133 Y135 P141 | L58-Y137 HydrophobicContact CD1-CD1 3.43Å; L58-Y137 VanDerWaalsContact CD1-CD1 3.43Å; L58-Y137 HydrophobicContact CD1-CE1 3.55Å; L58-Y137 HydrophobicContact CD1-CG 4.43Å; L58-Y137 HydrophobicContact CG-CD1 4.17Å; L58-Y137 HydrophobicContact CG-CE1 3.79Å; L58-Y137 PolarHBondContact O-OH 3.2Å; P62-Y137 HydrophobicContact CG-CE2 3.85Å; P62-Y137 WeakPolarHBondContact CG-OH 3.47Å; L133-Y137 HydrophobicContact CB-CD2 4.3Å; L133-Y137 HydrophobicContact CD2-CD2 4.48Å; L133-Y137 HydrophobicContact CD2-CE2 4.1Å; L133-Y137 WeakPolarHBondContact O-CB 3.09Å; L133-Y137 WeakPolarHBondContact O-CD2 3.49Å; L133-Y137 PolarHBondContact O-N 3.15Å; Y135-Y137 PolarHBondContact O-N 3.45Å; Y137-P141 WeakPolarHBondContact O-CD 3.34Å; Y137-P141 VanDerWaalsContact O-CG 3.29Å; Y137-P141 WeakPolarHBondContact O-CG 3.12Å |
| 138 | G | 81.6 | Confident | 76.5 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 27% | 0.268 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -97.8 | -67.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A134 V140 I142 | A134-G138 VanDerWaalsContact O-CA 3.22Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.43Å; G138-V140 PolarHBondContact O-N 2.99Å; G138-I142 VanDerWaalsContact O-CB 3.3Å; G138-I142 WeakPolarHBondContact O-CB 3.48Å; G138-I142 WeakPolarHBondContact O-CD1 3.49Å; G138-I142 WeakPolarHBondContact O-CG1 3.36Å; G138-I142 PolarHBondContact O-N 2.8Å; G138-I142 VanDerWaalsContact O-N 3.1Å |
| 139 | V | 78.1 | Confident | 74.7 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | I | π-helix | trans | -66.1 | -42.2 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Y135 S143 | Y135-V139 HydrophobicContact CD2-CB 3.75Å; Y135-V139 HydrophobicContact CD2-CG1 4.09Å; Y135-V139 HydrophobicContact CD2-CG2 3.82Å; Y135-V139 HydrophobicContact CE2-CB 3.96Å; Y135-V139 HydrophobicContact CE2-CG1 3.77Å; Y135-V139 HydrophobicContact CE2-CG2 4.32Å; Y135-V139 HydrophobicContact CG-CB 4.39Å; Y135-V139 WeakPolarHBondContact O-CB 3.21Å; Y135-V139 PolarHBondContact O-N 3.04Å; V139-S143 VanDerWaalsContact O-CB 3.23Å; V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.25Å; V139-S143 PolarHBondContact O-OG 3.25Å |
| 140 | V | 74.3 | Confident | 72.7 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63 | -56.1 | 180 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | Y135 G138 I142 S143 L144 | Y135-V140 HydrophobicContact CD1-CG2 4.46Å; Y135-V140 HydrophobicContact CE1-CG2 4.24Å; Y135-V140 PolarHBondContact O-N 2.95Å; G138-V140 PolarHBondContact O-N 2.99Å; V140-I142 PolarHBondContact O-N 3.39Å; V140-S143 PolarHBondContact O-N 2.78Å; V140-L144 HydrophobicContact CG1-CD1 4Å; V140-L144 WeakPolarHBondContact O-CD1 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 2.85Å |
| 141 | P | 70.6 | Confident | 70.6 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.6 | -27.3 | 39.3 | 0 | 0 | 0 | 114.3 | L58 V136 Y137 S143 L144 C145 | L58-P141 HydrophobicContact CD1-CG 4.32Å; V136-P141 WeakPolarHBondContact O-CD 2.99Å; Y137-P141 WeakPolarHBondContact O-CD 3.34Å; Y137-P141 VanDerWaalsContact O-CG 3.29Å; Y137-P141 WeakPolarHBondContact O-CG 3.12Å; P141-S143 PolarHBondContact O-N 3.42Å; P141-L144 WeakPolarHBondContact O-CB 3.44Å; P141-L144 PolarHBondContact O-N 3.35Å; P141-L144 VanDerWaalsContact O-N 3.15Å; P141-C145 PolarHBondContact O-N 2.84Å; P141-C145 PolarHBondContact O-SG 3.37Å |
| 142 | I | 71.1 | Confident | 68.3 | Low | 105 Ų | 105 | 72.3 Ų | 72.3 | 54% | 0.538 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | -179.2 | -68.1 | 168.6 | 0 | 0 | 0 | 111.5 | G138 V140 L144 C145 R146 | G138-I142 VanDerWaalsContact O-CB 3.3Å; G138-I142 WeakPolarHBondContact O-CB 3.48Å; G138-I142 WeakPolarHBondContact O-CD1 3.49Å; G138-I142 WeakPolarHBondContact O-CG1 3.36Å; G138-I142 PolarHBondContact O-N 2.8Å; G138-I142 VanDerWaalsContact O-N 3.1Å; V140-I142 PolarHBondContact O-N 3.39Å; I142-L144 PolarHBondContact O-N 2.91Å; I142-C145 PolarHBondContact O-N 3.06Å; I142-R146 WeakPolarHBondContact O-CB 3.45Å; I142-R146 PolarHBondContact O-N 3.49Å |
| 143 | S | 61.3 | Low | 66 | Low | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64 | -26.5 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | V139 V140 P141 G147 | V139-S143 VanDerWaalsContact O-CB 3.23Å; V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.25Å; V139-S143 PolarHBondContact O-OG 3.25Å; V140-S143 PolarHBondContact O-N 2.78Å; P141-S143 PolarHBondContact O-N 3.42Å; S143-G147 PolarHBondContact O-N 2.78Å; S143-G147 VanDerWaalsContact O-N 3.1Å |
| 144 | L | 60.3 | Low | 63.7 | Low | 33 Ų | 33 | 76 Ų | 76 | 17% | 0.173 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -85.8 | -40.2 | -179.7 | -61.4 | 167 | 0 | 0 | 0 | 112.7 | P34 Q54 V140 P141 I142 R146 G147 G149 | P34-L144 HydrophobicContact CB-CD2 3.69Å; P34-L144 HydrophobicContact CG-CD1 4.18Å; P34-L144 HydrophobicContact CG-CD2 3.8Å; P34-L144 HydrophobicContact CG-CG 4.47Å; Q54-L144 HydrophobicContact CG-CD1 3.9Å; V140-L144 HydrophobicContact CG1-CD1 4Å; V140-L144 WeakPolarHBondContact O-CD1 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 2.85Å; P141-L144 WeakPolarHBondContact O-CB 3.44Å; P141-L144 PolarHBondContact O-N 3.35Å; P141-L144 VanDerWaalsContact O-N 3.15Å; I142-L144 PolarHBondContact O-N 2.91Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 2.79Å; L144-G147 PolarHBondContact O-N 2.76Å; L144-G149 PolarHBondContact O-N 2.92Å |
| 145 | C | 58.8 | Low | 61.4 | Low | 79 Ų | 79 | 77 Ų | 77 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 170.9 | -68.4 | 0 | 0 | 0 | 0 | 111.2 | P141 I142 | P141-C145 PolarHBondContact O-N 2.84Å; P141-C145 PolarHBondContact O-SG 3.37Å; I142-C145 PolarHBondContact O-N 3.06Å |
| 146 | R | 63.4 | Low | 59.2 | Low | 217 Ų | 217 | 81 Ų | 81 | 82% | 0.819 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81 | -16.2 | 179 | -165.2 | 148.5 | 59.7 | 98.6 | -2.5 | 114.2 | I142 L144 G148 | I142-R146 WeakPolarHBondContact O-CB 3.45Å; I142-R146 PolarHBondContact O-N 3.49Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 2.79Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 2.72Å |
| 147 | G | 55.9 | Low | 57.1 | Low | 65 Ų | 65 | 83.3 Ų | 83.3 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 4.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S143 L144 | S143-G147 PolarHBondContact O-N 2.78Å; S143-G147 VanDerWaalsContact O-N 3.1Å; L144-G147 PolarHBondContact O-N 2.76Å |
| 148 | G | 53.5 | Low | 55.3 | Low | 76 Ų | 76 | 87.5 Ų | 87.5 | 78% | 0.784 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 21.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R146 | R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 2.72Å |
| 149 | G | 53.5 | Low | 53.1 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | trans | -101.1 | -10.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | L144 G151 | L144-G149 PolarHBondContact O-N 2.92Å; G149-G151 PolarHBondContact O-N 3.19Å | ||
| 150 | C | 48.3 | Very low | 51.2 | Low | 74 Ų | 74 | 92 Ų | 92 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | trans | -96.4 | 85 | -171.5 | -157 | 0 | 0 | 0 | 0 | 111.9 | V152 | C150-V152 PolarHBondContact O-N 3.35Š| ||
| 151 | G | 46.8 | Very low | 49.3 | Very low | 64 Ų | 64 | 98.8 Ų | 98.8 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | trans | -74.1 | 50.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G149 | G149-G151 PolarHBondContact O-N 3.19Š| ||
| 152 | V | 41.8 | Very low | 47.9 | Very low | 67 Ų | 67 | 101.9 Ų | 101.9 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | trans | -108 | 84.6 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | C150 T154 | C150-V152 PolarHBondContact O-N 3.35Å; V152-T154 PolarHBondContact O-N 3.36Å; V152-T154 VanDerWaalsContact O-N 3.12Å | ||
| 153 | S | 39.3 | Very low | 46.2 | Very low | 108 Ų | 108 | 105.2 Ų | 105.2 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | -67.2 | 106.6 | 168.4 | -68.9 | 0 | 0 | 0 | 0 | 109 | A155 | S153-A155 PolarHBondContact O-N 3.25Š| ||
| 154 | T | 38.4 | Very low | 45 | Very low | 127 Ų | 127 | 108.5 Ų | 108.5 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | trans | -71.7 | 80.7 | 168.7 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | V152 N156 | V152-T154 PolarHBondContact O-N 3.36Å; V152-T154 VanDerWaalsContact O-N 3.12Å; T154-N156 PolarHBondContact O-N 3.43Å | ||
| 155 | A | 37.6 | Very low | 43.9 | Very low | 82 Ų | 82 | 113 Ų | 113 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -62.4 | 127.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S153 G157 | S153-A155 PolarHBondContact O-N 3.25Å; A155-G157 PolarHBondContact O-N 2.88Å | ||
| 156 | N | 39.9 | Very low | 43.1 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | 112.5 | -170.5 | -92.6 | -22.7 | 0 | 0 | 0 | 113.2 | T154 | T154-N156 PolarHBondContact O-N 3.43Š|
| 157 | G | 42.2 | Very low | 42.1 | Very low | 73 Ų | 73 | 114 Ų | 114 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.2 | 29.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | A155 | A155-G157 PolarHBondContact O-N 2.88Š|
| 158 | K | 44.4 | Very low | 41.4 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -169.4 | 101.7 | 153.6 | -110.6 | 162.2 | -177.1 | -179.6 | 0 | 114.2 | ||
| 159 | G | 36.2 | Very low | 40.9 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | trans | 82.7 | 144 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K161 | G159-K161 PolarHBondContact O-N 3.01Š| ||
| 160 | V | 36.9 | Very low | 40.3 | Very low | 115 Ų | 115 | 121 Ų | 121 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | trans | -75.3 | 103.2 | 170.6 | 171.6 | 0 | 0 | 0 | 0 | 108.4 | I162 | V160-I162 HydrophobicContact CG1-CG1 3.96Š| ||
| 161 | K | 34.4 | Very low | 40.1 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -94.4 | 109.7 | 161.6 | -77.1 | -170.7 | 172.3 | -169.5 | 0 | 108.4 | G159 E163 | G159-K161 PolarHBondContact O-N 3.01Å; K161-E163 PolarHBondContact O-N 3.2Å | ||
| 162 | I | 42.7 | Very low | 40.4 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 54% | 0.544 | 72% | 0.718 | S | S | . | * | trans | -84 | 101.7 | 162.4 | -57.5 | 169.2 | 0 | 0 | 0 | 104.9 | V160 F164 | V160-I162 HydrophobicContact CG1-CG1 3.96Å; I162-F164 HydrophobicContact CG2-CD2 3.8Å; I162-F164 HydrophobicContact CG2-CE2 4.04Å; I162-F164 PolarHBondContact O-N 3.41Å | ||
| 163 | E | 33.9 | Very low | 40.6 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -72.5 | 96.1 | 175.2 | -161.4 | 154.1 | -138.3 | 0 | 0 | 107.8 | K161 | K161-E163 PolarHBondContact O-N 3.2Š| ||
| 164 | F | 36.1 | Very low | 40.9 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | trans | -88.9 | 100.7 | 166.7 | -109 | -71.2 | 0 | 0 | 0 | 107 | K48 I162 | K48-F164 HydrophobicContact CD-CE1 4.27Å; K48-F164 HydrophobicContact CD-CZ 4.09Å; K48-F164 HydrophobicContact CG-CE1 4.2Å; K48-F164 HydrophobicContact CG-CZ 3.67Å; I162-F164 HydrophobicContact CG2-CD2 3.8Å; I162-F164 HydrophobicContact CG2-CE2 4.04Å; I162-F164 PolarHBondContact O-N 3.41Å | ||
| 165 | D | 38.8 | Very low | 41.1 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | -64.1 | 134.1 | 168.7 | -98.5 | -48.3 | 0 | 0 | 0 | 110.8 | ||||
| 166 | E | 41.4 | Very low | 41.5 | Very low | 167 Ų | 167 | 121 Ų | 121 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 48 | 79 | 153.4 | -59.4 | -179.4 | 127.9 | 0 | 0 | 116.5 | ||
| 167 | D | 41.5 | Very low | 41.8 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | S | Bend | 170 | 149.4 | 93.9 | -91.6 | -45.4 | 0 | 0 | 0 | 110.9 | |||
| 168 | D | 41.1 | Very low | 41.9 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 87% | 0.866 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 58.5 | 90.5 | -177.9 | -70.7 | -43.8 | 0 | 0 | 0 | 118 | ||
| 169 | G | 43.5 | Very low | 42.1 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 62% | 0.619 | 66% | 0.661 | S | S | * | * | trans | 74 | 121.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | I171 | G169-I171 PolarHBondContact O-N 2.89Š| ||
| 170 | P | 40.5 | Very low | 42.4 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -73.9 | 90.9 | 176.3 | 31.3 | -34.6 | 0 | 0 | 0 | 111.5 | T172 | P170-T172 WeakPolarHBondContact O-CG2 3.4Å; P170-T172 PolarHBondContact O-N 3.38Å; P170-T172 VanDerWaalsContact O-N 3.09Å | ||
| 171 | I | 45.1 | Very low | 42.4 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | trans | -65.1 | 109.1 | 167.5 | -46 | 174.6 | 0 | 0 | 0 | 107.6 | G169 D175 | G169-I171 PolarHBondContact O-N 2.89Å; I171-D175 HydrophobicContact CG2-CB 3.94Å | ||
| 172 | T | 52.6 | Low | 42.3 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 44% | 0.436 | 65% | 0.651 | S | S | . | * | trans | -82.9 | 161.1 | -175.2 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | P170 A174 D175 | P170-T172 WeakPolarHBondContact O-CG2 3.4Å; P170-T172 PolarHBondContact O-N 3.38Å; P170-T172 VanDerWaalsContact O-N 3.09Å; T172-A174 PolarHBondContact O-N 3.12Å; T172-D175 PolarHBondContact N-OD2 2.9Å; T172-D175 PolarHBondContact O-N 2.87Å; T172-D175 PolarHBondContact OG1-OD2 3.2Å | ||
| 173 | V | 45.7 | Very low | 42.4 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -59.1 | -20.6 | 176.4 | -149.4 | 0 | 0 | 0 | 0 | 112.2 | W177 | V173-W177 PolarHBondContact O-N 3Å |
| 174 | A | 46.5 | Very low | 42.1 | Very low | 51 Ų | 51 | 119.6 Ų | 119.6 | 42% | 0.421 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.2 | -30.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | T172 W177 R178 | T172-A174 PolarHBondContact O-N 3.12Å; A174-W177 PolarHBondContact O-N 3.21Å; A174-R178 WeakPolarHBondContact O-CB 3.45Å; A174-R178 WeakPolarHBondContact O-CG 3.45Å; A174-R178 PolarHBondContact O-N 3Å |
| 175 | D | 42.4 | Very low | 42 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 32% | 0.321 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -78.7 | -38.1 | -176.5 | -55.1 | -53.3 | 0 | 0 | 0 | 111 | I171 T172 W177 R178 A179 | I171-D175 HydrophobicContact CG2-CB 3.94Å; T172-D175 PolarHBondContact N-OD2 2.9Å; T172-D175 PolarHBondContact O-N 2.87Å; T172-D175 PolarHBondContact OG1-OD2 3.2Å; D175-W177 VanDerWaalsContact C-N 3.3Å; D175-W177 PolarHBondContact O-N 3.41Å; D175-R178 PolarHBondContact O-N 2.87Å; D175-R178 IonicContact OD1-NH1 3.85Å; D175-A179 WeakPolarHBondContact O-CB 3.49Å; D175-A179 PolarHBondContact O-N 3.39Å |
| 176 | A | 46.4 | Very low | 41.9 | Very low | 58 Ų | 58 | 118.2 Ų | 118.2 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -61.8 | -37 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 | A176-L180 PolarHBondContact O-N 3.05Å |
| 177 | W | 45 | Very low | 41.6 | Very low | 168 Ų | 168 | 119.6 Ų | 119.6 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.7 | -30.5 | 175.9 | -170.3 | -99.1 | 0 | 0 | 0 | 113.1 | V173 A174 D175 K181 | V173-W177 PolarHBondContact O-N 3Å; A174-W177 PolarHBondContact O-N 3.21Å; D175-W177 VanDerWaalsContact C-N 3.3Å; D175-W177 PolarHBondContact O-N 3.41Å; W177-K181 VanDerWaalsContact CZ2-NZ 3.31Å |
| 178 | R | 45.2 | Very low | 41.3 | Very low | 169 Ų | 169 | 118.2 Ų | 118.2 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.2 | -42.4 | 172.1 | -81 | 174.6 | 171.9 | 159.2 | -5.2 | 112.3 | A174 D175 L180 K181 | A174-R178 WeakPolarHBondContact O-CB 3.45Å; A174-R178 WeakPolarHBondContact O-CG 3.45Å; A174-R178 PolarHBondContact O-N 3Å; D175-R178 PolarHBondContact O-N 2.87Å; D175-R178 IonicContact OD1-NH1 3.85Å; R178-L180 PolarHBondContact O-N 3.03Å; R178-K181 PolarHBondContact O-N 3.32Å; R178-K181 VanDerWaalsContact O-N 3.07Å |
| 179 | A | 48 | Very low | 40.9 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -60.6 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D175 K181 | D175-A179 WeakPolarHBondContact O-CB 3.49Å; D175-A179 PolarHBondContact O-N 3.39Å; A179-K181 VanDerWaalsContact C-N 3.29Å; A179-K181 PolarHBondContact O-N 2.9Å |
| 180 | L | 42.8 | Very low | 40.6 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -4.3 | 176 | -97.3 | 158.9 | 0 | 0 | 0 | 115.1 | A176 R178 | A176-L180 PolarHBondContact O-N 3.05Å; R178-L180 PolarHBondContact O-N 3.03Å |
| 181 | K | 36.7 | Very low | 40.2 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | -1.9 | -169.8 | -105.1 | 170.1 | 177.7 | 168.3 | 0 | 117.2 | W177 R178 A179 | W177-K181 VanDerWaalsContact CZ2-NZ 3.31Å; R178-K181 PolarHBondContact O-N 3.32Å; R178-K181 VanDerWaalsContact O-N 3.07Å; A179-K181 VanDerWaalsContact C-N 3.29Å; A179-K181 PolarHBondContact O-N 2.9Å |
| 182 | N | 33 | Very low | 39.5 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | trans | -133 | 92.8 | 173.5 | -70.3 | -62.8 | 0 | 0 | 0 | 111.3 | S184 | N182-S184 PolarHBondContact O-N 2.93Š| ||
| 183 | P | 43.7 | Very low | 38.4 | Very low | 140 Ų | 140 | 122 Ų | 122 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -79.4 | 73.6 | 167.1 | 34.2 | -32.1 | 0 | 0 | 0 | 109.1 | ||||
| 184 | S | 27.9 | Very low | 37.7 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -111.8 | 117.8 | 172.3 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | N182 | N182-S184 PolarHBondContact O-N 2.93Š| ||
| 185 | I | 34 | Very low | 36.9 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -56.4 | 138 | 176.2 | -76.5 | 159.1 | 0 | 0 | 0 | 111.9 | ||||
| 186 | G | 37.6 | Very low | 36.4 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | 87 | 105.1 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 187 | E | 35.3 | Very low | 35.6 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | -163.6 | 111 | 122.6 | 49.4 | -159.9 | 174.6 | 0 | 0 | 111.8 | |||||
| 188 | S | 35.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -92.3 | 110.4 | 158 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 189 | S | 31.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -146.5 | 103.7 | 160.9 | -160.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 190 | I | 37.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | 27 | 125.8 | 95.8 | 30.3 | 178.3 | 0 | 0 | 0 | 116.2 | |||||
| 191 | E | 32.3 | Very low | 32.8 | Very low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 58.3 | 137.7 | 153.6 | -62.8 | 157.9 | 131.2 | 0 | 0 | 116.3 | ||||
| 192 | G | 29.8 | Very low | 32.5 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | 135.6 | 146.3 | 19.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | L | 30.4 | Very low | 33.1 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 76.2 | 130.1 | 167.9 | -51.5 | 175.8 | 0 | 0 | 0 | 120.3 | ||||
| 194 | T | 30.7 | Very low | 32.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 154.8 | 145.3 | 55.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 195 | S | 29 | Very low | 32.8 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | -162.6 | 159.6 | -5.7 | 35.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 196 | V | 32.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -27.5 | 164.1 | 168.7 | -65.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 197 | L | 29.6 | Very low | 32.2 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | 81.6 | 143.7 | 163.6 | -51.6 | 175.9 | 0 | 0 | 0 | 116.6 | ||||
| 198 | S | 30.3 | Very low | 31.9 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | -170.3 | 179.9 | -7.6 | -107.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | T | 31.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 99.4 | 102.9 | 166.5 | -42.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 200 | S | 31 | Very low | 31.8 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | cis | 80.9 | 115.3 | 34.3 | -158.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 201 | G | 28.8 | Very low | 31.5 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -174.5 | 123.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 202 | S | 31.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -102.3 | 163.4 | -162.5 | 51.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 203 | P | 45.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -88.6 | 161 | 174.3 | 37 | -35.2 | 0 | 0 | 0 | 113 | ||||
| 204 | T | 34.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 119.5 | 170.5 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 205 | D | 30.2 | Very low | 31.9 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | 31.7 | 144.6 | 128.4 | -40.6 | -40.9 | 0 | 0 | 0 | 121 | |||||
| 206 | G | 31.5 | Very low | 32.1 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | cis | 135.6 | 92.1 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 207 | L | 28 | Very low | 32 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -171 | 142.9 | 176.4 | -145.2 | 58.7 | 0 | 0 | 0 | 109.8 | ||||
| 208 | S | 29.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | cis | -162.6 | 150.5 | -17.2 | 51 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 209 | V | 31 | Very low | 32.3 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 22.9 | 119 | 139.1 | -172 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 210 | M | 32.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | -151.7 | 147.1 | 71.7 | -163.6 | 177.3 | 174.8 | 0 | 0 | 116.7 | |||||
| 211 | Q | 31.4 | Very low | 32.4 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -49.5 | 145.2 | -176.1 | -168.8 | 167.6 | 5.6 | 0 | 0 | 120.3 | ||||
| 212 | G | 28.1 | Very low | 32.6 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -174.5 | 107.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 213 | P | 43.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -116.7 | 132.7 | -176.5 | 36.6 | -25.4 | 0 | 0 | 0 | 114.5 | ||||
| 214 | Y | 29.5 | Very low | 32.1 | Very low | 225 Ų | 225 | 132.1 Ų | 132.1 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | -156.3 | 149 | 124.9 | 80.2 | -84.8 | 0 | 0 | 0 | 109.9 | |||||
| 215 | S | 31.1 | Very low | 31.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -150.4 | 125.8 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 216 | E | 32 | Very low | 31.9 | Very low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -150 | 149.1 | 172.8 | -70.8 | -161.6 | 142.4 | 0 | 0 | 107.7 | ||||
| 217 | T | 31.4 | Very low | 32 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | cis | -158.3 | 157.3 | -15.1 | -94.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 218 | A | 32 | Very low | 32.3 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -76.3 | 170.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 219 | S | 33.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -56.3 | 149.4 | 179.8 | -42.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 220 | F | 29.8 | Very low | 32.7 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -131.2 | 123 | 147.3 | 80.9 | -87.7 | 0 | 0 | 0 | 106.6 | ||||
| 221 | A | 35.3 | Very low | 32.6 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | 89.8 | 97.9 | 68.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 222 | A | 33 | Very low | 32.7 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 91.5 | 155.4 | 129.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 223 | L | 35.1 | Very low | 33.1 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | 82.4 | 92.1 | 158.3 | -60.1 | 173.8 | 0 | 0 | 0 | 121.1 | ||||
| 224 | S | 31.7 | Very low | 32.5 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | 25.1 | 129.2 | 118.6 | 61.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 225 | G | 29.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | 99.2 | 129.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 226 | G | 30.6 | Very low | 32.7 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 158.3 | 102 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 227 | T | 33.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -93.2 | 173.5 | 175.6 | 42.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 228 | L | 34.2 | Very low | 32.8 | Very low | 157 Ų | 157 | 119 Ų | 119 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 91.5 | 136.2 | 159.9 | -50.8 | 175.2 | 0 | 0 | 0 | 118.3 | ||||
| 229 | S | 36.8 | Very low | 32.9 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | 63.9 | 138.8 | 163.1 | -57.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 230 | G | 31 | Very low | 32.6 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | cis | 138.7 | 124.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 231 | G | 31.3 | Very low | 32.8 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | 94.2 | 114.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 232 | I | 32.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | 39.8 | 121.5 | 130.4 | 58 | 165.3 | 0 | 0 | 0 | 120.1 | ||||
| 233 | L | 37.2 | Very low | 32.7 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | -159.7 | 149.8 | 97.2 | -101.5 | 173.3 | 0 | 0 | 0 | 111.8 | |||||
| 234 | S | 30.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -104.7 | 126 | -170.6 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 235 | S | 33.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -169.4 | 126.3 | 151.8 | -163.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 236 | G | 31.8 | Very low | 32.3 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | cis | 177.3 | 173.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | K | 34.7 | Very low | 32.5 | Very low | 225 Ų | 225 | 140.4 Ų | 140.4 | 98% | 0.978 | 81% | 0.81 | S | S | * | * | trans | 71.8 | 98 | 162.3 | -150.7 | 177.3 | -168.4 | 177.4 | 0 | 117.8 | ||||
| 238 | G | 29.6 | Very low | 32.3 | Very low | 55 Ų | 55 | 141.9 Ų | 141.9 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | trans | 140.7 | 101.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 239 | K | 35.1 | Very low | 32.3 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | 60.9 | 85.5 | 146.1 | -58.2 | -175.3 | 179.7 | -176.5 | 0 | 117.5 | ||||
| 240 | Y | 27.1 | Very low | 31.9 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -81.9 | 132.2 | 163.4 | -0.5 | -91.6 | 0 | 0 | 0 | 110.4 | ||||
| 241 | S | 33.5 | Very low | 32 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | trans | -107.7 | 106.9 | 154.8 | -77.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 242 | R | 28.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -116.6 | 125.5 | 165.6 | 177.4 | -174.2 | -177.1 | 107.1 | -10.9 | 105.6 | E244 | R242-E244 HydrophobicContact CG-CG 4.36Å; R242-E244 VanDerWaalsContact CZ-CD 3.42Å; R242-E244 IonicContact CZ-OE1 3.23Å; R242-E244 IonicContact CZ-OE2 3.51Å; R242-E244 IonicContact NE-OE1 3.68Å; R242-E244 IonicContact NE-OE2 2.76Å; R242-E244 PolarHBondContact NE-OE2 3.43Å; R242-E244 IonicContact NH2-OE1 3.3Å; R242-E244 PolarHBondContact NH2-OE1 2.96Å; R242-E244 IonicContact NH2-OE2 3.73Å; R242-E244 PolarHBondContact NH2-OE2 3.09Å | ||
| 243 | L | 37.5 | Very low | 31.9 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -122.3 | 99.6 | 174.3 | -132.9 | 151.5 | 0 | 0 | 0 | 106.9 | ||||
| 244 | E | 30 | Very low | 31.6 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | -106.1 | 158.4 | 169.8 | -81.4 | -178.6 | 150.1 | 0 | 0 | 109.7 | R242 | R242-E244 HydrophobicContact CG-CG 4.36Å; R242-E244 VanDerWaalsContact CZ-CD 3.42Å; R242-E244 IonicContact CZ-OE1 3.23Å; R242-E244 IonicContact CZ-OE2 3.51Å; R242-E244 IonicContact NE-OE1 3.68Å; R242-E244 IonicContact NE-OE2 2.76Å; R242-E244 PolarHBondContact NE-OE2 3.43Å; R242-E244 IonicContact NH2-OE1 3.3Å; R242-E244 PolarHBondContact NH2-OE1 2.96Å; R242-E244 IonicContact NH2-OE2 3.73Å; R242-E244 PolarHBondContact NH2-OE2 3.09Å | ||
| 245 | V | 32.5 | Very low | 32.5 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 134.6 | -174.2 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 246 | Q | 26.4 | Very low | 32.3 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -133.7 | 127.6 | 154.6 | -172.6 | 163.7 | -0.4 | 0 | 0 | 109.3 | ||||
| 247 | A | 35.1 | Very low | 32.2 | Very low | 86 Ų | 86 | 156.4 Ų | 156.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 150.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 248 | D | 28.5 | Very low | 32 | Very low | 158 Ų | 158 | 152 Ų | 152 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 154.8 | 161.4 | -164.4 | 21.8 | 0 | 0 | 0 | 111.1 | ||||
| 249 | V | 34.8 | Very low | 32 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -108.9 | 129.5 | -175.1 | 167.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 250 | Q | 29.1 | Very low | 31.8 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -128.3 | 143.8 | 160.5 | -160.3 | 166.4 | -2.1 | 0 | 0 | 111.7 | ||||
| 251 | K | 31.5 | Very low | 32.1 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -124.7 | 129 | -161.2 | 163.5 | -167 | 174.5 | -173.7 | 0 | 108.7 | ||||
| 252 | E | 31.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -143.4 | 164.4 | 166.5 | -80.3 | -56.7 | 159.5 | 0 | 0 | 112.1 | ||||
| 253 | I | 31.9 | Very low | 32.2 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 59% | 0.585 | 78% | 0.778 | S | S | * | * | trans | -143.1 | 146.6 | -156.3 | -74.5 | 173.5 | 0 | 0 | 0 | 108.7 | ||||
| 254 | F | 30.3 | Very low | 32.1 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | cis | -137.4 | -157.4 | 16.5 | -128.8 | -15.3 | 0 | 0 | 0 | 110.6 | ||||
| 255 | P | 50.4 | Low | 32.2 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -111 | 160.1 | -157 | 42.6 | -32.3 | 0 | 0 | 0 | 116.1 | ||||
| 256 | K | 29.2 | Very low | 32.6 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -158 | 139 | 142 | -149.3 | 152.7 | -174.6 | 166 | 0 | 115.9 | ||||
| 257 | D | 28.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | -23 | 154.9 | 170.3 | -42.1 | -55.5 | 0 | 0 | 0 | 121.1 | ||||
| 258 | T | 30.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 113.3 | 108.3 | 136.7 | -37.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 259 | A | 30.5 | Very low | 34 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 68.9 | 116.8 | 138 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 260 | S | 29.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 92.6 | 147.2 | 117.8 | -158.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 261 | L | 34.9 | Very low | 35.2 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 66.8 | 85 | 165.3 | -71.7 | 155.5 | 0 | 0 | 0 | 118.2 | ||||
| 262 | G | 29.2 | Very low | 35.7 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -119.1 | 107.6 | 151 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 263 | A | 34.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | -101.4 | 161.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 264 | I | 34.8 | Very low | 36.4 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | 52.6 | 111.1 | 165.8 | 46.9 | 173.8 | 0 | 0 | 0 | 119.2 | ||||
| 265 | S | 32.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -166.8 | 151.3 | 114.9 | -163.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 266 | D | 41.2 | Very low | 35.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -84.4 | 148.7 | -168.5 | -48.8 | -85.2 | 0 | 0 | 0 | 114.5 | ||||
| 267 | N | 40.5 | Very low | 36.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -161.4 | 148.5 | 133.8 | 52.4 | 86.6 | 0 | 0 | 0 | 111.4 | ||||
| 268 | A | 38.8 | Very low | 36.8 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -99.1 | 141.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 269 | S | 38.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -135.5 | 89 | 166.3 | -170.8 | 0 | 0 | 0 | 0 | 111 | R271 | S269-R271 PolarHBondContact O-N 3.43Š| ||
| 270 | T | 45.5 | Very low | 37 | Very low | 142 Ų | 142 | 130 Ų | 130 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -86.3 | 79.2 | 169.3 | 32.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 271 | R | 44 | Very low | 37.1 | Very low | 235 Ų | 235 | 135 Ų | 135 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -160.5 | 87.6 | 172.1 | -127.8 | 175.4 | 180 | -134 | -2.5 | 115.6 | S269 | S269-R271 PolarHBondContact O-N 3.43Š| ||
| 272 | A | 42.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | 175.5 | 134 | 139.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | M | 43.5 | Very low | 37.3 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | 177.5 | 76.7 | 147.3 | -92.5 | -86.8 | -84.6 | 0 | 0 | 106.4 | ||||
| 274 | A | 33.8 | Very low | 37.2 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -87.6 | 110.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | S276 | A274-S276 PolarHBondContact O-N 3.31Š| ||
| 275 | G | 36.7 | Very low | 37 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 104.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 276 | S | 32 | Very low | 37.2 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -78.1 | 129.6 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | A274 I278 | A274-S276 PolarHBondContact O-N 3.31Å; S276-I278 PolarHBondContact O-N 2.91Å | ||
| 277 | I | 43.7 | Very low | 36.7 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -76.9 | 103.7 | 174.7 | -31.5 | 170.9 | 0 | 0 | 0 | 109 | ||||
| 278 | I | 35.6 | Very low | 36.3 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -136.6 | 101.7 | 161.9 | -50.6 | 178.9 | 0 | 0 | 0 | 108.2 | S276 S280 | S276-I278 PolarHBondContact O-N 2.91Å; I278-S280 PolarHBondContact O-N 3.26Å | ||
| 279 | S | 33.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -74.2 | 117.3 | 167.8 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | S | 31.2 | Very low | 35.6 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -111.9 | 111.5 | 169 | 53 | 0 | 0 | 0 | 0 | 109.9 | I278 | I278-S280 PolarHBondContact O-N 3.26Š| ||
| 281 | Y | 31.9 | Very low | 35.7 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -83.6 | 126.7 | 180 | -173.6 | -88.5 | 0 | 0 | 0 | 110.2 | P283 | Y281-P283 HydrophobicContact CE1-CG 4.47Š| ||
| 282 | N | 28.4 | Very low | 35.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -153.9 | 125.2 | 162.1 | -156.4 | 8.9 | 0 | 0 | 0 | 110.6 | ||||
| 283 | P | 41.3 | Very low | 35 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 49% | 0.494 | 77% | 0.768 | S | S | . | * | trans | -95.2 | 177.9 | 179.6 | 37.1 | -34.1 | 0 | 0 | 0 | 113.3 | Y281 | Y281-P283 HydrophobicContact CE1-CG 4.47Š| ||
| 284 | Q | 32.4 | Very low | 34.3 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 72.1 | 138.5 | -178.4 | -62.2 | 167 | -43.6 | 0 | 0 | 113.8 | ||||
| 285 | D | 30.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | cis | -145 | 167.4 | 15.3 | -132.4 | -38 | 0 | 0 | 0 | 112.5 | ||||
| 286 | R | 34.9 | Very low | 34.1 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | 2.3 | 150.5 | 159.8 | -67.9 | 156.3 | 91.7 | 142.7 | 16.2 | 120.8 | ||||
| 287 | E | 31.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | -160.3 | 149.5 | 32.9 | -149.8 | 99.1 | -132.9 | 0 | 0 | 112.3 | ||||
| 288 | C | 32 | Very low | 34.1 | Very low | 82 Ų | 82 | 148 Ų | 148 | 55% | 0.554 | 76% | 0.759 | S | S | * | * | trans | 4.5 | 120.8 | 163.6 | -163.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 289 | N | 31.8 | Very low | 34 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | -158.2 | 131.7 | 118.4 | -106.9 | -34.6 | 0 | 0 | 0 | 111.6 | |||||
| 290 | N | 32.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | -117 | 124.3 | -166.5 | -6.7 | -95.5 | 0 | 0 | 0 | 110.1 | ||||
| 291 | M | 45.8 | Very low | 34.3 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -143.5 | 103.7 | 157 | -91.7 | 177.6 | 89.5 | 0 | 0 | 109 | ||||
| 292 | E | 33.2 | Very low | 34.3 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | -78.7 | 127.3 | 171.7 | 178.4 | 178.4 | 179.5 | 0 | 0 | 109 | Q294 | E292-Q294 HydrophobicContact CG-CG 4.08Å; E292-Q294 WeakPolarHBondContact OE1-CG 3.38Å; E292-Q294 PolarHBondContact OE1-NE2 2.92Å | ||
| 293 | I | 39.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -108 | 88.5 | 171 | -58.4 | 178.1 | 0 | 0 | 0 | 107.5 | V295 | I293-V295 HydrophobicContact CG2-CG2 4.01Š| ||
| 294 | Q | 28.1 | Very low | 33.6 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 130.2 | 159.9 | -70.2 | 178.3 | 0.2 | 0 | 0 | 108.2 | E292 | E292-Q294 HydrophobicContact CG-CG 4.08Å; E292-Q294 WeakPolarHBondContact OE1-CG 3.38Å; E292-Q294 PolarHBondContact OE1-NE2 2.92Å | ||
| 295 | V | 35.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -111.9 | 99.8 | 167.6 | -176.4 | 0 | 0 | 0 | 0 | 106.8 | I293 | I293-V295 HydrophobicContact CG2-CG2 4.01Š| ||
| 296 | D | 30.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -84 | 155.3 | 174.9 | -160 | 7.9 | 0 | 0 | 0 | 111 | ||||
| 297 | I | 43.7 | Very low | 32.8 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -111.9 | 115.1 | -170.5 | -60.4 | 170.2 | 0 | 0 | 0 | 109.2 | ||||
| 298 | E | 31.8 | Very low | 32.9 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 148.1 | 169 | -163.5 | 163.9 | -163.8 | 0 | 0 | 112.6 | ||||
| 299 | A | 34.5 | Very low | 32.7 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -130 | 120.7 | -154.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 300 | K | 29.4 | Very low | 32.7 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 61.4 | 178.2 | 158 | -103.3 | -165.2 | 170.3 | 177.2 | 0 | 116.3 | ||||
| 301 | P | 41.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -126.2 | 170.4 | -49.5 | 34.2 | -19 | 0 | 0 | 0 | 112.3 | ||||
| 302 | S | 30.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -170.9 | 172.2 | 148.2 | 35.7 | 0 | 0 | 0 | 0 | 113 | Y304 | S302-Y304 PolarHBondContact OG-OH 3.42Š| ||
| 303 | H | 27.9 | Very low | 32.3 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -153.6 | 126 | -144 | 157 | -63 | 0 | 0 | 0 | 110.9 | ||||
| 304 | Y | 28 | Very low | 31.8 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -141.9 | 160.1 | 178.8 | -39.4 | -72.6 | 0 | 0 | 0 | 113.3 | S302 | S302-Y304 PolarHBondContact OG-OH 3.42Š| ||
| 305 | Q | 26.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -111.6 | 154.8 | -162.3 | -76.1 | 175.4 | -16.4 | 0 | 0 | 114.5 | ||||
| 306 | L | 29.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 39.8 | 132.8 | 136.9 | -56.4 | 167.9 | 0 | 0 | 0 | 120.9 | ||||
| 307 | V | 26.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | 176.7 | 144.6 | 107.7 | 149.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 308 | S | 31.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -88.5 | 153.4 | 174.3 | -55.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 309 | G | 27.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -157.4 | 149.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 310 | S | 32 | Very low | 30.3 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -136.1 | 160.4 | -168.9 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 311 | S | 33.1 | Very low | 30.2 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 110.1 | 125.8 | 145.8 | -153 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 312 | T | 35.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | trans | 71.6 | 145.4 | 138.1 | 48.6 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 313 | E | 34.1 | Very low | 29.7 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 82.6 | 101.1 | 144.9 | 76.2 | -149.3 | 87.9 | 0 | 0 | 125.2 | ||||
| 314 | D | 29.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 77.8 | 149.9 | 113.9 | -137.8 | -90.7 | 0 | 0 | 0 | 125.5 | |||||
| 315 | S | 29.4 | Very low | 29.9 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | 84.2 | 100.4 | 157.1 | -81.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 316 | L | 32 | Very low | 30.3 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | 45.9 | 124.3 | 122.5 | -72.4 | 158.7 | 0 | 0 | 0 | 122.1 | |||||
| 317 | H | 27.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | -166.8 | 132.1 | 104.4 | -119.1 | -102.6 | 0 | 0 | 0 | 116.7 | |||||
| 318 | V | 28.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 64% | 0.642 | 80% | 0.801 | S | S | * | * | trans | -12.4 | 133.4 | 156.6 | -178 | 0 | 0 | 0 | 0 | 120 | ||||
| 319 | H | 26.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -147.1 | 129.3 | 122.1 | -138.5 | -70.1 | 0 | 0 | 0 | 112.3 | |||||
| 320 | A | 29.6 | Very low | 30.9 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | -103.5 | 154.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 321 | Q | 27.4 | Very low | 30.8 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -157.5 | 126.4 | 147.1 | -123.6 | 169.1 | -20.7 | 0 | 0 | 111 | ||||
| 322 | M | 29.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -79.5 | 156.2 | 168.4 | -63.3 | -75.8 | -159.4 | 0 | 0 | 109.5 | ||||
| 323 | A | 30.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -145.1 | 111.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 324 | E | 30.5 | Very low | 30.2 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 156.4 | 176.2 | -65.8 | 153.6 | 123.3 | 0 | 0 | 110.2 | ||||
| 325 | N | 30.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -152.6 | 119.4 | 150.2 | -129.8 | 10.7 | 0 | 0 | 0 | 108.8 | ||||
| 326 | E | 34.2 | Very low | 30.5 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -85.1 | 151.1 | 176 | -56.1 | 179.5 | 113.5 | 0 | 0 | 110 | ||||
| 327 | E | 35 | Very low | 30.5 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -151.4 | 145.1 | 135 | -90.8 | -138.7 | 135.5 | 0 | 0 | 109.7 | ||||
| 328 | E | 33.9 | Very low | 30.6 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | trans | -79.1 | 160.1 | -172.3 | -59.5 | -176.9 | 102.4 | 0 | 0 | 113.3 | ||||
| 329 | G | 29.6 | Very low | 31.9 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -164.2 | 28 | -172.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 330 | S | 30.2 | Very low | 33 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | 53.7 | 117.3 | 157.3 | -168.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 331 | G | 29.2 | Very low | 32.8 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | 115.7 | 102.1 | 120.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 332 | G | 29.7 | Very low | 32.9 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | 78.5 | 141.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 333 | G | 30.2 | Very low | 32.8 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | cis | 142.6 | 118.9 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 334 | G | 30.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 145.2 | 115.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 335 | S | 29.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -64.1 | 169.7 | 165.5 | -34.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 336 | E | 34.1 | Very low | 32.6 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | cis | -168.6 | 149.5 | 44 | -115.5 | 139.3 | 176.9 | 0 | 0 | 110.5 | ||||
| 337 | E | 33.1 | Very low | 32.4 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 66.6 | 141.5 | 139.5 | -61.7 | 176.8 | 154 | 0 | 0 | 124.8 | ||||
| 338 | D | 29.4 | Very low | 32 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -124.8 | 174 | -179 | -123.7 | -27 | 0 | 0 | 0 | 108.1 | ||||
| 339 | P | 57.2 | Low | 31.7 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | -119.1 | -97.3 | -30.7 | 24.9 | -2.8 | 0 | 0 | 0 | 112.8 | ||||
| 340 | P | 48.1 | Very low | 31.7 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | -122.5 | 150.3 | -67.8 | 32.6 | -14 | 0 | 0 | 0 | 118 | |||||
| 341 | C | 27.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 137 Ų | 137 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 46 | 123.6 | 141.3 | -59.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 342 | R | 27.6 | Very low | 31.7 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | -171 | 141.7 | 116.5 | -108 | -172.7 | -168.2 | -143.3 | 4.7 | 116.7 | |||||
| 343 | H | 29 | Very low | 31.9 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | 7.2 | 135.7 | 148.9 | -90.8 | -118.2 | 0 | 0 | 0 | 121.4 | ||||
| 344 | Q | 30.1 | Very low | 32 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | -149.7 | 146.4 | 113.8 | -161.1 | 149 | 14.9 | 0 | 0 | 112.7 | |||||
| 345 | S | 27.5 | Very low | 32 | Very low | 85 Ų | 85 | 149.6 Ų | 149.6 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | -98.2 | 154.3 | -179.5 | 178 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 346 | C | 28.2 | Very low | 32 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -144.7 | 119.7 | 148.7 | -105.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 347 | E | 31.3 | Very low | 32.1 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -92.7 | 168.7 | 175.5 | -76 | -153.3 | 90.8 | 0 | 0 | 113.2 | ||||
| 348 | Q | 27 | Very low | 31.8 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | 87 | 100.7 | 142.5 | -160.3 | 153.5 | 38 | 0 | 0 | 119.5 | ||||
| 349 | K | 27.9 | Very low | 32.1 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | -162.3 | 114.7 | 106.2 | -117.7 | 164.2 | -179.6 | 171.3 | 0 | 115.1 | |||||
| 350 | D | 28.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 153 Ų | 153 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | trans | 42.5 | 133.1 | 139.3 | -50.5 | -34.5 | 0 | 0 | 0 | 122.2 | ||||
| 351 | C | 29.5 | Very low | 30 | Very low | 125 Ų | 125 | 156 Ų | 156 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -78.6 | 145.5 | -178.2 | -56.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 352 | L | 30.3 | Very low | 30.3 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -136.8 | 131.8 | 144.7 | -82.5 | -177.7 | 0 | 0 | 0 | 110.8 | ||||
| 353 | A | 33.1 | Very low | 30.4 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 144 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 354 | S | 31.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -154 | 147.4 | 162.2 | -81.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 355 | K | 31.6 | Very low | 30.8 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 156.8 | -160.8 | -67 | 170.9 | 176 | 176.7 | 0 | 113.9 | ||||
| 356 | P | 30.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | trans | -66 | 146.1 | 160.1 | 31.1 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 357 | W | 34.7 | Very low | 31.2 | Very low | 248 Ų | 248 | 151.7 Ų | 151.7 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -105.5 | 111.9 | 167.4 | -80 | -19.2 | 0 | 0 | 0 | 109.6 | ||||
| 358 | D | 28.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -74.4 | 123.5 | 167.3 | -69.1 | -58.4 | 0 | 0 | 0 | 109.8 | ||||
| 359 | I | 34.1 | Very low | 31.7 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -101.5 | 99.8 | 172.9 | -64.7 | 173.1 | 0 | 0 | 0 | 107.4 | ||||
| 360 | S | 29.3 | Very low | 32 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -74.8 | 133.3 | 174.4 | -161.3 | 0 | 0 | 0 | 0 | 110.5 | A362 | S360-A362 PolarHBondContact O-N 3.07Š| ||
| 361 | L | 32.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -82.8 | 107 | 178.3 | -75.3 | 166.2 | 0 | 0 | 0 | 110 | ||||
| 362 | A | 33.8 | Very low | 33 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S360 | S360-A362 PolarHBondContact O-N 3.07Š|
| 363 | Q | 29.7 | Very low | 33.4 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 160.2 | 166.1 | -74.2 | -152.7 | -77.1 | 0 | 0 | 110.8 | E365 | Q363-E365 PolarHBondContact O-N 3.33Š|
| 364 | P | 33.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.1 | 178.6 | 31.2 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 365 | E | 32.5 | Very low | 33.9 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 137.9 | 173.3 | -68.4 | -168.8 | 116.9 | 0 | 0 | 112 | Q363 | Q363-E365 PolarHBondContact O-N 3.33Š|
| 366 | S | 30.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130.6 | 176.4 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | R368 | S366-R368 PolarHBondContact O-N 2.75Š|
| 367 | I | 34.7 | Very low | 34.6 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -68.6 | 105.6 | 171.8 | -62.6 | 173.8 | 0 | 0 | 0 | 109 | ||||
| 368 | R | 33.8 | Very low | 34.7 | Very low | 211 Ų | 211 | 147.3 Ų | 147.3 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | -81.6 | 147.4 | 162.8 | -155.5 | 174.8 | -168.2 | 131.6 | -0.2 | 107.7 | S366 | S366-R368 PolarHBondContact O-N 2.75Š| ||
| 369 | S | 35.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -88.2 | 110.8 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 370 | D | 34.3 | Very low | 35.6 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | -95.6 | 145.4 | -178.9 | -56 | -23.7 | 0 | 0 | 0 | 110.6 | ||||
| 371 | L | 43.8 | Very low | 36.2 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -122.3 | 102.6 | -166 | -178.4 | 94.1 | 0 | 0 | 0 | 110 | ||||
| 372 | E | 35.8 | Very low | 37.1 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -143.4 | 113.4 | 163.2 | -82.7 | -176 | 64.5 | 0 | 0 | 107 | ||||
| 373 | S | 38.3 | Very low | 37 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | 60.2 | 108.3 | 69.3 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 374 | S | 38.8 | Very low | 37.6 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -154.8 | 93.5 | 164 | -74.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 375 | D | 35.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 145 Ų | 145 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -79 | 132.8 | 168 | -65.1 | -59.2 | 0 | 0 | 0 | 110 | ||||
| 376 | T | 39.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 119.8 | 149.6 | 52.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 377 | Q | 36.9 | Very low | 38.1 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -82.1 | 142.8 | -174.6 | 174.7 | -174.2 | 4.4 | 0 | 0 | 112.5 | D379 | Q377-D379 WeakPolarHBondContact CG-OD2 3.49Å; Q377-D379 PolarHBondContact NE2-OD2 3.01Å | ||
| 378 | S | 37.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -157.6 | 113.6 | 143.8 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 379 | D | 43.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | -66.7 | 149.8 | 178 | -59.3 | -100.9 | 0 | 0 | 0 | 113.3 | Q377 | Q377-D379 WeakPolarHBondContact CG-OD2 3.49Å; Q377-D379 PolarHBondContact NE2-OD2 3.01Å | ||
| 380 | D | 37.9 | Very low | 37.8 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | -163.3 | 139 | 125.6 | -103.2 | -37.2 | 0 | 0 | 0 | 111.2 | |||||
| 381 | V | 42.3 | Very low | 37.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -128.7 | 140.7 | -167.5 | 165.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 382 | P | 50.4 | Low | 38.2 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | -154.1 | 158.4 | 76.5 | 41 | -19.4 | 0 | 0 | 0 | 121.4 | |||||
| 383 | D | 32.2 | Very low | 38 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | 61.2 | 122.1 | 145.4 | -78.5 | -39.3 | 0 | 0 | 0 | 123.3 | ||||
| 384 | I | 42.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 137 Ų | 137 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 138 | 154.3 | 48.5 | 170.1 | 0 | 0 | 0 | 109.9 | ||||
| 385 | T | 34.1 | Very low | 37.3 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -123.1 | 113.4 | 146.9 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 386 | S | 39.4 | Very low | 37.1 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -92.3 | 123.5 | 166.6 | -62.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 387 | D | 34.1 | Very low | 36.7 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -148.3 | 160.1 | 165.7 | -100 | -45.5 | 0 | 0 | 0 | 111.5 | ||||
| 388 | E | 37 | Very low | 36.3 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 161.6 | -146.5 | -162.8 | 168.7 | 63.8 | 0 | 0 | 114.1 | ||||
| 389 | C | 31.8 | Very low | 36 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 76.4 | 144 | 153.5 | -154.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 390 | G | 28.5 | Very low | 36.1 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 123 | 61.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 391 | S | 34.4 | Very low | 35.7 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 63.1 | 163.4 | 145.2 | -96.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 392 | P | 51.8 | Low | 35.3 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -101 | 149.8 | -170.8 | 37.7 | -32.8 | 0 | 0 | 0 | 113.9 | ||||
| 393 | R | 31.3 | Very low | 35.1 | Very low | 250 Ų | 250 | 130.7 Ų | 130.7 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -157.4 | 147.1 | 146.4 | -118.1 | 163.7 | -178 | -170.3 | -2.2 | 115.2 | ||||
| 394 | S | 30 | Very low | 35 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 165.1 | -176.2 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 395 | H | 32.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | 146.9 | 146.6 | 144.8 | -76.4 | -50.6 | 0 | 0 | 0 | 109.8 | ||||
| 396 | T | 31.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -163.9 | 140.6 | -20.6 | -77.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 397 | A | 30.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 31.1 | 132.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 398 | A | 29.5 | Very low | 34.1 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | -172.3 | 125.9 | 110 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 399 | C | 30.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 178.4 | 153.4 | -58 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 400 | P | 46.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -139.1 | 176.8 | 5.7 | 42.6 | -25.3 | 0 | 0 | 0 | 115.6 | ||||
| 401 | S | 29.1 | Very low | 36 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 173.6 | 137.6 | 127.2 | 40.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 402 | T | 34.5 | Very low | 36 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -115.4 | 178.4 | 158.4 | 58.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 403 | P | 45.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -136.1 | -169.7 | -1 | 38.9 | -19 | 0 | 0 | 0 | 114.6 | ||||
| 404 | R | 29.6 | Very low | 35.2 | Very low | 235 Ų | 235 | 125.7 Ų | 125.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 131.4 | 104.4 | 128.6 | -161.3 | 172.1 | -165.5 | 172 | 4.2 | 118.7 | |||||
| 405 | A | 31.1 | Very low | 35.4 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 42.6 | 135.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 406 | Q | 31.8 | Very low | 35.5 | Very low | 204 Ų | 204 | 125.8 Ų | 125.8 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | 71.5 | 130.7 | 140.9 | -79.6 | -178.5 | -29.6 | 0 | 0 | 122 | ||||
| 407 | G | 29.3 | Very low | 35.6 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -177.3 | 119.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 408 | A | 38.6 | Very low | 35.6 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -118.1 | 161.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 409 | P | 45.3 | Very low | 35.8 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 113.9 | 148 | 33.2 | -15.2 | 0 | 0 | 0 | 115.8 | ||||
| 410 | S | 36.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 53.8 | 176.5 | 113.8 | -32.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 411 | P | 56.1 | Low | 35.4 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | -140.6 | 178.6 | -119.8 | 34.3 | -7.9 | 0 | 0 | 0 | 117.7 | |||||
| 412 | S | 33 | Very low | 35.7 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 171.3 | 127.8 | 143.4 | 44 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 413 | A | 34.9 | Very low | 35.6 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | cis | 86.9 | 94.7 | 35.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 414 | H | 32.5 | Very low | 35.1 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -153.6 | 141.1 | 132.4 | -136.2 | -87.1 | 0 | 0 | 0 | 114.9 | ||||
| 415 | M | 35.1 | Very low | 35.3 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 172.1 | 172 | -84.6 | 179.6 | 148.1 | 0 | 0 | 111 | ||||
| 416 | N | 33 | Very low | 35.6 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | cis | -165.9 | 171.3 | 2.2 | -121.7 | -22.8 | 0 | 0 | 0 | 111 | ||||
| 417 | L | 33.6 | Very low | 35.8 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | 36.2 | 132.2 | 150.2 | -87.3 | 74 | 0 | 0 | 0 | 121.8 | ||||
| 418 | S | 31.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | -177.8 | 165.7 | 105.2 | -77.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 419 | A | 33.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -131.7 | 168.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 420 | L | 31.7 | Very low | 36.4 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | 82 | 123.2 | 150 | -145.3 | 78.3 | 0 | 0 | 0 | 121.2 | ||||
| 421 | A | 37 | Very low | 36.4 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | 3.2 | 135.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 422 | E | 35.5 | Very low | 35.7 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -156.4 | 151.5 | 133.3 | -98.1 | 175.6 | 162.3 | 0 | 0 | 106.3 | ||||
| 423 | G | 32.7 | Very low | 36.7 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | 137.5 | 75.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 424 | Q | 35 | Very low | 37.3 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -153.8 | 117.1 | 161.5 | -140.3 | 165.5 | 17.1 | 0 | 0 | 115.5 | ||||
| 425 | T | 33.5 | Very low | 38.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -97.3 | 140.8 | 164.4 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 426 | V | 36.7 | Very low | 38.9 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | trans | -119.4 | 117.7 | 162.8 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 427 | L | 36.8 | Very low | 39.2 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 86% | 0.856 | S | S | * | * | trans | -91.5 | 134.7 | 173.7 | -71.1 | 162 | 0 | 0 | 0 | 109.8 | ||||
| 428 | K | 35.9 | Very low | 39.4 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 86% | 0.862 | S | S | * | * | trans | -150.4 | 130.5 | 135.5 | -166.4 | 175.7 | 176.4 | -176 | 0 | 110.1 | ||||
| 429 | P | 47.5 | Very low | 39.9 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 86% | 0.862 | S | S | * | * | trans | -91.8 | 150.3 | 177.6 | 36 | -33.3 | 0 | 0 | 0 | 111.9 | ||||
| 430 | E | 41 | Very low | 40.2 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 93% | 0.93 | 87% | 0.865 | S | S | * | * | trans | -132.7 | 119.6 | 145.5 | -83.7 | -113.9 | 96.4 | 0 | 0 | 106 | ||||
| 431 | G | 37.2 | Very low | 40.8 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | -123.9 | 148.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 432 | G | 41.1 | Very low | 41 | Very low | 83 Ų | 83 | 153 Ų | 153 | 86% | 0.856 | 87% | 0.872 | S | S | * | * | trans | 172.3 | 45.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 433 | E | 53.9 | Low | 41.4 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 87% | 0.867 | S | S | * | * | trans | -84.7 | 112.1 | 167.8 | -165.9 | -172.9 | 140.2 | 0 | 0 | 109.3 | ||||
| 434 | A | 48.9 | Very low | 42.1 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 80% | 0.802 | 88% | 0.876 | S | S | * | * | trans | -156.8 | 80.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 435 | R | 48.1 | Very low | 42.7 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 88% | 0.875 | S | S | * | * | trans | -24.4 | 130 | 151.6 | -169 | -173.9 | -155.1 | 152.3 | 1.8 | 116.6 | ||||
| 436 | V | 51.6 | Low | 43.5 | Very low | 213 Ų | 213 | 155 Ų | 155 | 100% | 1.291 | 88% | 0.884 | S | S | * | * | trans | -136.9 | 0 | 137.2 | 176.9 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 436 of 436 residues in 271.4 ms
(Link to these results)