| 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 | 40.3 | Very low | 73.4 | Confident | 237 Ų | 237 | 129.5 Ų | 129.5 | 100% | 1.167 | 67% | 0.667 | S | S | * | * | 0 | 107.1 | 0 | -58 | -178.5 | -50.7 | 0 | 0 | 105 | E3 | M1-E3 PolarHBondContact O-N 2.64Å; M1-E3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | A | 62.6 | Low | 75.1 | Confident | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 65% | 0.648 | S | S | * | * | trans | -72.6 | 103.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | E4 | A2-E4 PolarHBondContact O-N 2.93Š| ||
| 3 | E | 62.3 | Low | 76.7 | Confident | 172 Ų | 172 | 118.6 Ų | 118.6 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -60.6 | 103.1 | 164 | -163.8 | 162.4 | 95.2 | 0 | 0 | 103.9 | M1 E5 | M1-E3 PolarHBondContact O-N 2.64Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-E5 PolarHBondContact O-N 2.96Å | ||
| 4 | E | 59.7 | Low | 78.2 | Confident | 174 Ų | 174 | 116.6 Ų | 116.6 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | trans | -46.4 | 114.2 | 171.4 | -164 | 177.8 | 113 | 0 | 0 | 105.2 | A2 L6 | A2-E4 PolarHBondContact O-N 2.93Å; E4-L6 PolarHBondContact O-N 3.13Å | ||
| 5 | E | 68.3 | Low | 79.4 | Confident | 188 Ų | 188 | 115.3 Ų | 115.3 | 88% | 0.879 | 58% | 0.578 | S | S | * | * | trans | -57.9 | 93.7 | -169.3 | -77.1 | -174.7 | 86.3 | 0 | 0 | 108.4 | E3 Q7 | E3-E5 PolarHBondContact O-N 2.96Å; E5-Q7 PolarHBondContact O-N 2.9Å | ||
| 6 | L | 72.5 | Confident | 80.5 | Confident | 163 Ų | 163 | 114.7 Ų | 114.7 | 85% | 0.853 | 57% | 0.572 | S | S | * | * | trans | -67.1 | 80.5 | 172 | -96.7 | 149.1 | 0 | 0 | 0 | 105.5 | E4 D8 | E4-L6 PolarHBondContact O-N 3.13Å; L6-D8 PolarHBondContact O-N 3.47Å; L6-D8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | Q | 78.3 | Confident | 81.6 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | trans | -71.2 | 110.6 | -178.2 | -170.4 | 179.1 | -0.9 | 0 | 0 | 107.6 | E5 K12 | E5-Q7 PolarHBondContact O-N 2.9Å; Q7-K12 HydrophobicContact CG-CD 4.41Å; Q7-K12 HydrophobicContact CG-CG 4.08Å | ||
| 8 | D | 86.2 | Confident | 82.5 | Confident | 72 Ų | 72 | 106.3 Ų | 106.3 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | trans | -49.6 | 121.2 | -179.9 | -179.5 | -12.4 | 0 | 0 | 0 | 109.9 | L6 L10 Q11 K12 | L6-D8 PolarHBondContact O-N 3.47Å; L6-D8 VanDerWaalsContact O-N 3.09Å; D8-L10 PolarHBondContact O-N 2.78Å; D8-L10 VanDerWaalsContact O-N 3.15Å; D8-L10 WeakPolarHBondContact OD1-CA 3.3Å; D8-L10 WeakPolarHBondContact OD1-CB 3.38Å; D8-L10 PolarHBondContact OD1-N 3.16Å; D8-Q11 HydrophobicContact CB-CB 4.36Å; D8-Q11 HydrophobicContact CB-CG 4.08Å; D8-Q11 WeakPolarHBondContact O-CB 3.18Å; D8-Q11 PolarHBondContact O-N 3.22Å; D8-K12 PolarHBondContact O-N 2.85Å | ||
| 9 | P | 89.7 | Confident | 83.3 | Confident | 46 Ų | 46 | 108.8 Ų | 108.8 | 30% | 0.299 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.3 | -30.4 | 178.1 | 23.1 | -34 | 0 | 0 | 0 | 112.4 | K12 L13 M68 | P9-K12 PolarHBondContact O-N 3.18Å; P9-L13 WeakPolarHBondContact O-CB 3.5Å; P9-L13 WeakPolarHBondContact O-CD1 3.48Å; P9-L13 VanDerWaalsContact O-CG 3.27Å; P9-L13 WeakPolarHBondContact O-CG 3.19Å; P9-L13 PolarHBondContact O-N 3Å; P9-M68 HydrophobicContact CB-CE 3.59Å; P9-M68 HydrophobicContact CB-SD 3.71Å |
| 10 | L | 93.5 | Very high | 84.1 | Confident | 40 Ų | 40 | 109.3 Ų | 109.3 | 21% | 0.209 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.1 | -178.8 | 62.3 | 0 | 0 | 0 | 111.6 | D8 L13 R14 A61 A65 | D8-L10 PolarHBondContact O-N 2.78Å; D8-L10 VanDerWaalsContact O-N 3.15Å; D8-L10 WeakPolarHBondContact OD1-CA 3.3Å; D8-L10 WeakPolarHBondContact OD1-CB 3.38Å; D8-L10 PolarHBondContact OD1-N 3.16Å; L10-L13 PolarHBondContact O-N 3.09Å; L10-R14 HydrophobicContact CD1-CG 4.27Å; L10-R14 HydrophobicContact CG-CG 4.38Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 2.72Å; L10-A61 HydrophobicContact CD1-CB 4.15Å; L10-A65 HydrophobicContact CB-CB 4.24Å; L10-A65 HydrophobicContact CD1-CB 3.75Å |
| 11 | Q | 93.3 | Very high | 84.7 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 177.7 | -74.1 | -172.9 | -32.9 | 0 | 0 | 111.3 | D8 L13 R14 E15 | D8-Q11 HydrophobicContact CB-CB 4.36Å; D8-Q11 HydrophobicContact CB-CG 4.08Å; D8-Q11 WeakPolarHBondContact O-CB 3.18Å; D8-Q11 PolarHBondContact O-N 3.22Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-L13 PolarHBondContact O-N 3.21Å; Q11-R14 PolarHBondContact O-N 2.96Å; Q11-E15 WeakPolarHBondContact O-CG 3.31Å; Q11-E15 PolarHBondContact O-N 3.41Å; Q11-E15 VanDerWaalsContact O-N 3.07Å |
| 12 | K | 93.9 | Very high | 87.5 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 174.5 | -70.1 | -179.5 | 178.6 | 175.6 | 0 | 111.1 | Q7 D8 P9 R14 E15 E16 | Q7-K12 HydrophobicContact CG-CD 4.41Å; Q7-K12 HydrophobicContact CG-CG 4.08Å; D8-K12 PolarHBondContact O-N 2.85Å; P9-K12 PolarHBondContact O-N 3.18Å; K12-R14 VanDerWaalsContact C-N 3.33Å; K12-R14 PolarHBondContact O-N 2.87Å; K12-E15 PolarHBondContact O-N 3.34Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 3.36Å |
| 13 | L | 96.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 98.1 Ų | 98.1 | 9% | 0.094 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | -179.7 | -72.4 | 166.6 | 0 | 0 | 0 | 112.6 | P9 L10 Q11 E16 C17 A61 R64 A65 M68 | P9-L13 WeakPolarHBondContact O-CB 3.5Å; P9-L13 WeakPolarHBondContact O-CD1 3.48Å; P9-L13 VanDerWaalsContact O-CG 3.27Å; P9-L13 WeakPolarHBondContact O-CG 3.19Å; P9-L13 PolarHBondContact O-N 3Å; L10-L13 PolarHBondContact O-N 3.09Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-L13 PolarHBondContact O-N 3.21Å; L13-E16 PolarHBondContact O-N 3.12Å; L13-C17 VanDerWaalsContact O-CB 3.3Å; L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 2.91Å; L13-C17 PolarHBondContact O-SG 2.97Å; L13-A61 HydrophobicContact CB-CB 3.91Å; L13-R64 HydrophobicContact CD1-CB 3.71Å; L13-R64 HydrophobicContact CD2-CB 3.81Å; L13-R64 HydrophobicContact CD2-CG 4.43Å; L13-R64 HydrophobicContact CG-CB 4.36Å; L13-A65 HydrophobicContact CD1-CB 3.8Å; L13-M68 HydrophobicContact CD1-SD 4.03Å |
| 14 | R | 97.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 96.2 Ų | 96.2 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.8 | -76.6 | -179.3 | 160.1 | 172.8 | -5.6 | 111.6 | L10 Q11 K12 C17 K18 V57 D58 A61 | L10-R14 HydrophobicContact CD1-CG 4.27Å; L10-R14 HydrophobicContact CG-CG 4.38Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 2.72Å; Q11-R14 PolarHBondContact O-N 2.96Å; K12-R14 VanDerWaalsContact C-N 3.33Å; K12-R14 PolarHBondContact O-N 2.87Å; R14-C17 PolarHBondContact O-N 3.37Å; R14-K18 WeakPolarHBondContact O-CG 3.41Å; R14-K18 PolarHBondContact O-N 3.15Å; R14-V57 HydrophobicContact CB-CG1 3.92Å; R14-V57 HydrophobicContact CG-CG1 3.61Å; R14-D58 IonicContact CZ-OD1 3.79Å; R14-D58 IonicContact NE-OD1 3.74Å; R14-D58 IonicContact NH2-OD1 2.97Å; R14-D58 PolarHBondContact NH2-OD1 3.02Å; R14-A61 HydrophobicContact CG-CB 3.91Å |
| 15 | E | 96.5 | Very high | 92.7 | Very high | 97 Ų | 97 | 90.1 Ų | 90.1 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 176.7 | -67.5 | -57.1 | 110.3 | 0 | 0 | 112.3 | Q11 K12 K18 K19 | Q11-E15 WeakPolarHBondContact O-CG 3.31Å; Q11-E15 PolarHBondContact O-N 3.41Å; Q11-E15 VanDerWaalsContact O-N 3.07Å; K12-E15 PolarHBondContact O-N 3.34Å; E15-K18 WeakPolarHBondContact OE1-CD 3.24Å; E15-K18 WeakPolarHBondContact OE1-CE 3.48Å; E15-K18 IonicContact OE1-NZ 2.71Å; E15-K18 PolarHBondContact OE1-NZ 3.44Å; E15-K19 PolarHBondContact O-N 3.45Å |
| 16 | E | 97.2 | Very high | 94.2 | Very high | 106 Ų | 106 | 84 Ų | 84 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 171.9 | -68.1 | 177.1 | 99.3 | 0 | 0 | 111.2 | K12 L13 K18 K19 D20 | K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 3.36Å; L13-E16 PolarHBondContact O-N 3.12Å; E16-K18 VanDerWaalsContact C-N 3.29Å; E16-K18 PolarHBondContact O-N 2.83Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 2.77Å; E16-D20 PolarHBondContact O-N 3.21Å |
| 17 | C | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -32.1 | -179.8 | -70.3 | 0 | 0 | 0 | 0 | 113.3 | L13 R14 K19 D20 C22 C60 A61 | L13-C17 VanDerWaalsContact O-CB 3.3Å; L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 2.91Å; L13-C17 PolarHBondContact O-SG 2.97Å; R14-C17 PolarHBondContact O-N 3.37Å; C17-K19 VanDerWaalsContact C-N 3.31Å; C17-D20 VanDerWaalsContact CA-O 3.32Å; C17-D20 WeakPolarHBondContact CA-O 3.48Å; C17-D20 CarbonylContact O-C 3.34Å; C17-C22 WeakPolarHBondContact O-CB 3.27Å; C17-C22 PolarHBondContact O-N 3.13Å; C17-C22 PolarHBondContact O-SG 3.42Å; C17-C22 VanDerWaalsContact O-SG 3.39Å; C17-C60 HydrophobicContact CB-CB 3.62Å; C17-C60 WeakPolarHBondContact CB-SG 3.43Å; C17-C60 WeakPolarHBondContact SG-CB 3.3Å; C17-C60 CovalentContact SG-SG 2.03Å; C17-C60 PolarHBondContact SG-SG 3.26Å; C17-A61 PolarHBondContact SG-N 2.87Å; C17-A61 VanDerWaalsContact SG-N 3.42Å |
| 18 | K | 98.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 77.3 Ų | 77.3 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 171.8 | -77 | 174.5 | -175.4 | 172.8 | 0 | 112.5 | R14 E15 E16 C22 R23 V26 V57 | R14-K18 WeakPolarHBondContact O-CG 3.41Å; R14-K18 PolarHBondContact O-N 3.15Å; E15-K18 WeakPolarHBondContact OE1-CD 3.24Å; E15-K18 WeakPolarHBondContact OE1-CE 3.48Å; E15-K18 IonicContact OE1-NZ 2.71Å; E15-K18 PolarHBondContact OE1-NZ 3.44Å; E16-K18 VanDerWaalsContact C-N 3.29Å; E16-K18 PolarHBondContact O-N 2.83Å; K18-C22 CarbonylContact O-C 3.57Å; K18-R23 VanDerWaalsContact O-CA 3.24Å; K18-R23 WeakPolarHBondContact O-CA 3.41Å; K18-R23 PolarHBondContact O-N 3.22Å; K18-V26 HydrophobicContact CB-CG2 4.06Å; K18-V26 HydrophobicContact CG-CG2 4.25Å; K18-V57 HydrophobicContact CG-CG2 3.9Å |
| 19 | K | 97.9 | Very high | 97 | Very high | 154 Ų | 154 | 75.7 Ų | 75.7 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -80 | -39.5 | 178 | -65.8 | 174 | -175.5 | 175.8 | 0 | 112.2 | E15 E16 C17 R23 | E15-K19 PolarHBondContact O-N 3.45Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 2.77Å; C17-K19 VanDerWaalsContact C-N 3.31Å; K19-R23 WeakPolarHBondContact O-CB 3.28Å |
| 20 | D | 97.7 | Very high | 97.4 | Very high | 119 Ų | 119 | 75 Ų | 75 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.4 | 126.5 | 173.9 | -174.5 | 72 | 0 | 0 | 0 | 110 | E16 C17 | E16-D20 PolarHBondContact O-N 3.21Å; C17-D20 VanDerWaalsContact CA-O 3.32Å; C17-D20 WeakPolarHBondContact CA-O 3.48Å; C17-D20 CarbonylContact O-C 3.34Å |
| 21 | P | 97.2 | Very high | 97.6 | Very high | 69 Ų | 69 | 77 Ų | 77 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97.2 | 3.2 | 8.7 | 37.3 | -35.7 | 0 | 0 | 0 | 114.6 | R23 | P21-R23 VanDerWaalsContact C-N 3.29Å; P21-R23 PolarHBondContact O-N 3.03Å |
| 22 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.9 | -168.2 | -51.7 | 0 | 0 | 0 | 0 | 114.6 | C17 K18 K24 F25 V26 L53 C56 V57 | C17-C22 WeakPolarHBondContact O-CB 3.27Å; C17-C22 PolarHBondContact O-N 3.13Å; C17-C22 PolarHBondContact O-SG 3.42Å; C17-C22 VanDerWaalsContact O-SG 3.39Å; K18-C22 CarbonylContact O-C 3.57Å; C22-K24 VanDerWaalsContact C-N 3.25Å; C22-K24 PolarHBondContact O-N 2.98Å; C22-F25 HydrophobicContact CB-CD2 4.24Å; C22-F25 WeakPolarHBondContact O-CB 3.04Å; C22-F25 PolarHBondContact O-N 3.49Å; C22-V26 PolarHBondContact O-N 3.34Å; C22-L53 HydrophobicContact CB-CD1 4.17Å; C22-C56 VanDerWaalsContact CA-SG 3.5Å; C22-C56 HydrophobicContact CB-CB 3.83Å; C22-C56 WeakPolarHBondContact CB-SG 3.4Å; C22-C56 WeakPolarHBondContact SG-CB 3.46Å; C22-C56 PolarHBondContact SG-O 2.96Å; C22-C56 CovalentContact SG-SG 2.04Å; C22-C56 PolarHBondContact SG-SG 3.17Å; C22-V57 HydrophobicContact CB-CG2 4.16Å; C22-V57 PolarHBondContact SG-N 3.31Å |
| 23 | R | 98.5 | Very high | 98.1 | Very high | 148 Ų | 148 | 69.5 Ų | 69.5 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -53.1 | -40.6 | -177.2 | -175.2 | 168.6 | -178.7 | -77.7 | -14.7 | 113.3 | K18 K19 P21 F25 V26 E27 | K18-R23 VanDerWaalsContact O-CA 3.24Å; K18-R23 WeakPolarHBondContact O-CA 3.41Å; K18-R23 PolarHBondContact O-N 3.22Å; K19-R23 WeakPolarHBondContact O-CB 3.28Å; P21-R23 VanDerWaalsContact C-N 3.29Å; P21-R23 PolarHBondContact O-N 3.03Å; R23-F25 PolarHBondContact O-N 2.95Å; R23-V26 WeakPolarHBondContact O-CB 3.16Å; R23-V26 PolarHBondContact O-N 3.26Å; R23-V26 VanDerWaalsContact O-N 3.11Å; R23-E27 HydrophobicContact CG-CG 4.46Å; R23-E27 IonicContact CZ-OE1 2.98Å; R23-E27 IonicContact NE-OE1 3.91Å; R23-E27 IonicContact NH1-OE1 2.8Å; R23-E27 PolarHBondContact NH1-OE1 3.12Å; R23-E27 IonicContact NH1-OE2 3.66Å; R23-E27 IonicContact NH2-OE1 2.82Å; R23-E27 PolarHBondContact NH2-OE1 2.86Å; R23-E27 WeakPolarHBondContact O-CG 3.33Å; R23-E27 PolarHBondContact O-N 3.38Å |
| 24 | K | 98.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 75.4 Ų | 75.4 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.3 | -34 | 177.4 | 66.8 | 177.9 | -175.5 | 172.9 | 0 | 113.4 | C22 A28 | C22-K24 VanDerWaalsContact C-N 3.25Å; C22-K24 PolarHBondContact O-N 2.98Å; K24-A28 WeakPolarHBondContact O-CB 3.5Å; K24-A28 PolarHBondContact O-N 3.39Å |
| 25 | F | 98.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 75.9 Ų | 75.9 | 20% | 0.202 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -79.7 | -32.7 | 179.1 | -61 | -67 | 0 | 0 | 0 | 111.2 | C22 R23 A28 L29 D52 L53 C56 | C22-F25 HydrophobicContact CB-CD2 4.24Å; C22-F25 WeakPolarHBondContact O-CB 3.04Å; C22-F25 PolarHBondContact O-N 3.49Å; R23-F25 PolarHBondContact O-N 2.95Å; F25-A28 PolarHBondContact O-N 2.71Å; F25-L29 WeakPolarHBondContact O-CB 3.46Å; F25-L29 PolarHBondContact O-N 3.01Å; F25-D52 HydrophobicContact CD1-CB 3.72Å; F25-D52 HydrophobicContact CE1-CB 3.91Å; F25-L53 HydrophobicContact CB-CB 3.94Å; F25-L53 HydrophobicContact CB-CD1 3.89Å; F25-C56 HydrophobicContact CD2-CB 3.56Å; F25-C56 HydrophobicContact CE2-CB 3.57Å |
| 26 | V | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 72.8 Ų | 72.8 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 170.1 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | K18 C22 R23 L29 G30 L53 | K18-V26 HydrophobicContact CB-CG2 4.06Å; K18-V26 HydrophobicContact CG-CG2 4.25Å; C22-V26 PolarHBondContact O-N 3.34Å; R23-V26 WeakPolarHBondContact O-CB 3.16Å; R23-V26 PolarHBondContact O-N 3.26Å; R23-V26 VanDerWaalsContact O-N 3.11Å; V26-L29 PolarHBondContact O-N 2.75Å; V26-G30 PolarHBondContact O-N 3.47Å; V26-L53 HydrophobicContact CG2-CD1 3.53Å; V26-L53 HydrophobicContact CG2-CD2 4.16Å |
| 27 | E | 98.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.8 | -70.4 | 173.8 | 146.3 | 0 | 0 | 111.6 | R23 L29 G30 V31 | R23-E27 HydrophobicContact CG-CG 4.46Å; R23-E27 IonicContact CZ-OE1 2.98Å; R23-E27 IonicContact NE-OE1 3.91Å; R23-E27 IonicContact NH1-OE1 2.8Å; R23-E27 PolarHBondContact NH1-OE1 3.12Å; R23-E27 IonicContact NH1-OE2 3.66Å; R23-E27 IonicContact NH2-OE1 2.82Å; R23-E27 PolarHBondContact NH2-OE1 2.86Å; R23-E27 WeakPolarHBondContact O-CG 3.33Å; R23-E27 PolarHBondContact O-N 3.38Å; E27-L29 PolarHBondContact O-N 2.88Å; E27-G30 PolarHBondContact O-N 3.38Å; E27-G30 VanDerWaalsContact O-N 3.16Å; E27-V31 WeakPolarHBondContact O-CG2 3.3Å; E27-V31 PolarHBondContact O-N 2.03Å |
| 28 | A | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K24 F25 G30 V31 C32 E49 | K24-A28 WeakPolarHBondContact O-CB 3.5Å; K24-A28 PolarHBondContact O-N 3.39Å; F25-A28 PolarHBondContact O-N 2.71Å; A28-G30 VanDerWaalsContact C-N 3.31Å; A28-G30 PolarHBondContact O-N 3.3Å; A28-V31 PolarHBondContact O-N 3.07Å; A28-C32 PolarHBondContact O-N 3.19Å; A28-E49 HydrophobicContact CB-CG 4.34Å |
| 29 | L | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 80.9 Ų | 80.9 | 19% | 0.194 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 174.4 | 178.3 | 59.4 | 0 | 0 | 0 | 111.6 | F25 V26 E27 C32 T33 C46 E49 V50 L53 | F25-L29 WeakPolarHBondContact O-CB 3.46Å; F25-L29 PolarHBondContact O-N 3.01Å; V26-L29 PolarHBondContact O-N 2.75Å; E27-L29 PolarHBondContact O-N 2.88Å; L29-C32 PolarHBondContact O-N 3.25Å; L29-T33 VanDerWaalsContact O-CB 3.3Å; L29-T33 WeakPolarHBondContact O-CB 3.45Å; L29-T33 PolarHBondContact O-N 2.92Å; L29-T33 PolarHBondContact O-OG1 3.39Å; L29-C46 HydrophobicContact CD1-CB 3.8Å; L29-E49 HydrophobicContact CB-CB 4.07Å; L29-E49 HydrophobicContact CD1-CB 3.99Å; L29-V50 HydrophobicContact CD1-CG2 3.69Å; L29-V50 HydrophobicContact CD2-CG2 4.21Å; L29-L53 HydrophobicContact CD2-CD2 3.79Å |
| 30 | G | 98.5 | Very high | 97.6 | Very high | 32 Ų | 32 | 84.2 Ų | 84.2 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -50.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V26 E27 A28 C32 T33 E34 | V26-G30 PolarHBondContact O-N 3.47Å; E27-G30 PolarHBondContact O-N 3.38Å; E27-G30 VanDerWaalsContact O-N 3.16Å; A28-G30 VanDerWaalsContact C-N 3.31Å; A28-G30 PolarHBondContact O-N 3.3Å; G30-C32 PolarHBondContact O-N 3.47Å; G30-T33 PolarHBondContact O-N 2.04Å; G30-E34 WeakPolarHBondContact O-CG 3.25Å; G30-E34 PolarHBondContact O-N 3.31Å |
| 31 | V | 98.5 | Very high | 97.5 | Very high | 83 Ų | 83 | 83.2 Ų | 83.2 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | E27 A28 T33 R35 | E27-V31 WeakPolarHBondContact O-CG2 3.3Å; E27-V31 PolarHBondContact O-N 2.03Å; A28-V31 PolarHBondContact O-N 3.07Å; V31-T33 VanDerWaalsContact C-N 3.35Å; V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.01Å |
| 32 | C | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.007 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | A28 L29 G30 E34 R35 V36 C46 E49 | A28-C32 PolarHBondContact O-N 3.19Å; L29-C32 PolarHBondContact O-N 3.25Å; G30-C32 PolarHBondContact O-N 3.47Å; C32-E34 PolarHBondContact O-N 3.42Å; C32-R35 WeakPolarHBondContact O-CB 3.4Å; C32-R35 PolarHBondContact O-N 3.49Å; C32-R35 VanDerWaalsContact O-N 3.14Å; C32-V36 WeakPolarHBondContact O-CG2 3.25Å; C32-V36 PolarHBondContact O-N 2.99Å; C32-C46 HydrophobicContact CB-CB 3.81Å; C32-C46 WeakPolarHBondContact CB-SG 3.12Å; C32-C46 PolarHBondContact O-SG 3.25Å; C32-C46 WeakPolarHBondContact SG-CA 2.98Å; C32-C46 WeakPolarHBondContact SG-CB 3.46Å; C32-C46 CovalentContact SG-SG 2.04Å; C32-C46 PolarHBondContact SG-SG 3.32Å; C32-E49 HydrophobicContact CB-CG 4.15Å |
| 33 | T | 98.1 | Very high | 97.3 | Very high | 57 Ų | 57 | 92.2 Ų | 92.2 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L29 G30 V31 R35 V36 L37 C46 | L29-T33 VanDerWaalsContact O-CB 3.3Å; L29-T33 WeakPolarHBondContact O-CB 3.45Å; L29-T33 PolarHBondContact O-N 2.92Å; L29-T33 PolarHBondContact O-OG1 3.39Å; G30-T33 PolarHBondContact O-N 2.04Å; V31-T33 VanDerWaalsContact C-N 3.35Å; T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 2.95Å; T33-V36 PolarHBondContact O-N 3.42Å; T33-L37 HydrophobicContact CG2-CD1 3.73Å; T33-L37 HydrophobicContact CG2-CG 4.21Å; T33-L37 WeakPolarHBondContact O-CB 3.41Å; T33-L37 VanDerWaalsContact O-CG 3.25Å; T33-L37 WeakPolarHBondContact O-CG 3.42Å; T33-L37 PolarHBondContact O-N 3.47Å; T33-C46 PolarHBondContact N-SG 3.18Å; T33-C46 VanDerWaalsContact N-SG 3.43Å |
| 34 | E | 98.2 | Very high | 97.3 | Very high | 143 Ų | 143 | 88.3 Ų | 88.3 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 175 | -71 | 179.1 | 147.7 | 0 | 0 | 111.9 | G30 C32 G38 | G30-E34 WeakPolarHBondContact O-CG 3.25Å; G30-E34 PolarHBondContact O-N 3.31Å; C32-E34 PolarHBondContact O-N 3.42Å; E34-G38 PolarHBondContact O-N 2.92Å |
| 35 | R | 97.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 87 Ų | 87 | 38% | 0.377 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 177.1 | -178.2 | 172.6 | 68.9 | -129.6 | 0.3 | 111.7 | V31 C32 T33 G38 R39 E44 | V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.01Å; C32-R35 WeakPolarHBondContact O-CB 3.4Å; C32-R35 PolarHBondContact O-N 3.49Å; C32-R35 VanDerWaalsContact O-N 3.14Å; T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 2.95Å; R35-G38 PolarHBondContact O-N 2.96Å; R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-E44 IonicContact CZ-OE1 3.08Å; R35-E44 IonicContact NE-OE1 2.69Å; R35-E44 PolarHBondContact NE-OE1 3.33Å; R35-E44 IonicContact NE-OE2 3.67Å; R35-E44 IonicContact NH2-OE1 2.67Å; R35-E44 PolarHBondContact NH2-OE1 3.07Å |
| 36 | V | 97.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 85.6 Ų | 85.6 | 19% | 0.194 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67 | -45.9 | -178.5 | 172 | 0 | 0 | 0 | 0 | 111 | C32 T33 G38 R39 T42 E44 | C32-V36 WeakPolarHBondContact O-CG2 3.25Å; C32-V36 PolarHBondContact O-N 2.99Å; T33-V36 PolarHBondContact O-N 3.42Å; V36-G38 PolarHBondContact O-N 2.92Å; V36-R39 PolarHBondContact O-N 3.44Å; V36-T42 HydrophobicContact CG1-CG2 4.17Å; V36-E44 HydrophobicContact CG2-CB 4.27Å; V36-E44 HydrophobicContact CG2-CG 3.89Å |
| 37 | L | 96.1 | Very high | 97.2 | Very high | 140 Ų | 140 | 88.2 Ų | 88.2 | 73% | 0.733 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -25.4 | 177.1 | -69.5 | 177.3 | 0 | 0 | 0 | 112.9 | T33 R39 | T33-L37 HydrophobicContact CG2-CD1 3.73Å; T33-L37 HydrophobicContact CG2-CG 4.21Å; T33-L37 WeakPolarHBondContact O-CB 3.41Å; T33-L37 VanDerWaalsContact O-CG 3.25Å; T33-L37 WeakPolarHBondContact O-CG 3.42Å; T33-L37 PolarHBondContact O-N 3.47Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.87Å |
| 38 | G | 96.3 | Very high | 97.2 | Very high | 63 Ų | 63 | 89.5 Ų | 89.5 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | E34 R35 V36 | E34-G38 PolarHBondContact O-N 2.92Å; R35-G38 PolarHBondContact O-N 2.96Å; V36-G38 PolarHBondContact O-N 2.92Å |
| 39 | R | 94.9 | Very high | 97.2 | Very high | 150 Ų | 150 | 89.7 Ų | 89.7 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | trans | -96.3 | 137.5 | -179.9 | -57 | -55.6 | -174.4 | 172.1 | 1 | 111.3 | R35 V36 L37 T42 | R35-R39 WeakPolarHBondContact O-CG 3.31Å; V36-R39 PolarHBondContact O-N 3.44Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.87Å; R39-T42 HydrophobicContact CB-CG2 3.7Å; R39-T42 HydrophobicContact CG-CG2 4.11Å | ||
| 40 | K | 92.4 | Very high | 97.2 | Very high | 224 Ų | 224 | 90.5 Ų | 90.5 | 97% | 0.974 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -78.1 | -30.2 | 176.2 | -65 | -174.7 | 179.2 | -175.5 | 0 | 113.5 | ||
| 41 | A | 94.1 | Very high | 97.2 | Very high | 98 Ų | 98 | 91.9 Ų | 91.9 | 81% | 0.81 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -150.7 | 113.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 42 | T | 96 | Very high | 97.2 | Very high | 65 Ų | 65 | 91.9 Ų | 91.9 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | trans | -148.7 | 146.3 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 109.3 | V36 R39 E44 | V36-T42 HydrophobicContact CG1-CG2 4.17Å; R39-T42 HydrophobicContact CB-CG2 3.7Å; R39-T42 HydrophobicContact CG-CG2 4.11Å; T42-E44 HydrophobicContact CG2-CB 4.28Å; T42-E44 WeakPolarHBondContact OG1-CB 3.43Å; T42-E44 PolarHBondContact OG1-N 3.22Å; T42-E44 VanDerWaalsContact OG1-N 3.1Å | ||
| 43 | E | 96.7 | Very high | 97.2 | Very high | 194 Ų | 194 | 92.8 Ų | 92.8 | 91% | 0.907 | 49% | 0.487 | S | S | * | . | trans | -92.5 | -6.9 | 167.4 | -62.7 | -177.8 | 101.5 | 0 | 0 | 111.4 | ||||
| 44 | E | 97.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 95 Ų | 95 | 30% | 0.304 | 50% | 0.495 | S | S | . | . | trans | -61.8 | 137.4 | 176 | -171.2 | -175.2 | 179.2 | 0 | 0 | 110.9 | R35 V36 T42 | R35-E44 IonicContact CZ-OE1 3.08Å; R35-E44 IonicContact NE-OE1 2.69Å; R35-E44 PolarHBondContact NE-OE1 3.33Å; R35-E44 IonicContact NE-OE2 3.67Å; R35-E44 IonicContact NH2-OE1 2.67Å; R35-E44 PolarHBondContact NH2-OE1 3.07Å; V36-E44 HydrophobicContact CG2-CB 4.27Å; V36-E44 HydrophobicContact CG2-CG 3.89Å; T42-E44 HydrophobicContact CG2-CB 4.28Å; T42-E44 WeakPolarHBondContact OG1-CB 3.43Å; T42-E44 PolarHBondContact OG1-N 3.22Å; T42-E44 VanDerWaalsContact OG1-N 3.1Å | ||
| 45 | N | 97.6 | Very high | 97.2 | Very high | 105 Ų | 105 | 91.1 Ų | 91.1 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | trans | -137.7 | 168.5 | 171.7 | 62.4 | 70.8 | 0 | 0 | 0 | 109.3 | H47 | N45-H47 WeakPolarHBondContact OD1-CB 3.32Å; N45-H47 PolarHBondContact OD1-N 3.02Å; N45-H47 VanDerWaalsContact OD1-N 3.14Å | ||
| 46 | C | 98.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 87.3 Ų | 87.3 | 12% | 0.115 | 47% | 0.469 | C | S | . | . | trans | -103.4 | 31.8 | -177.4 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | L29 C32 T33 D48 E49 V50 | L29-C46 HydrophobicContact CD1-CB 3.8Å; C32-C46 HydrophobicContact CB-CB 3.81Å; C32-C46 WeakPolarHBondContact CB-SG 3.12Å; C32-C46 PolarHBondContact O-SG 3.25Å; C32-C46 WeakPolarHBondContact SG-CA 2.98Å; C32-C46 WeakPolarHBondContact SG-CB 3.46Å; C32-C46 CovalentContact SG-SG 2.04Å; C32-C46 PolarHBondContact SG-SG 3.32Å; T33-C46 PolarHBondContact N-SG 3.18Å; T33-C46 VanDerWaalsContact N-SG 3.43Å; C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.42Å; C46-E49 VanDerWaalsContact CA-OE2 3.3Å; C46-E49 WeakPolarHBondContact CA-OE2 3.05Å; C46-E49 PolarHBondContact O-N 3.11Å; C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 3.42Å; C46-V50 VanDerWaalsContact O-N 3.07Å | ||
| 47 | H | 98.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 86.1 Ų | 86.1 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | -175.6 | 176.6 | -87.7 | 0 | 0 | 0 | 111.7 | N45 V50 V51 | N45-H47 WeakPolarHBondContact OD1-CB 3.32Å; N45-H47 PolarHBondContact OD1-N 3.02Å; N45-H47 VanDerWaalsContact OD1-N 3.14Å; H47-V50 WeakPolarHBondContact O-CB 3.42Å; H47-V50 PolarHBondContact O-N 3.19Å; H47-V51 VanDerWaalsContact CE1-CG2 3.42Å; H47-V51 WeakPolarHBondContact CE1-CG2 3.46Å; H47-V51 WeakPolarHBondContact O-CG2 3.33Å; H47-V51 PolarHBondContact O-N 2.94Å |
| 48 | D | 98.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 82.1 Ų | 82.1 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | -179.2 | -65.5 | -20.2 | 0 | 0 | 0 | 111.2 | C46 V50 V51 D52 | C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.42Å; D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact O-N 3.21Å; D48-V51 PolarHBondContact O-N 3.37Å; D48-D52 WeakPolarHBondContact O-CB 3.46Å; D48-D52 PolarHBondContact O-N 2.71Å |
| 49 | E | 98.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 86.7 Ų | 86.7 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 175.2 | -66.8 | 81.7 | 177.4 | 0 | 0 | 112.5 | A28 L29 C32 C46 L53 | A28-E49 HydrophobicContact CB-CG 4.34Å; L29-E49 HydrophobicContact CB-CB 4.07Å; L29-E49 HydrophobicContact CD1-CB 3.99Å; C32-E49 HydrophobicContact CB-CG 4.15Å; C46-E49 VanDerWaalsContact CA-OE2 3.3Å; C46-E49 WeakPolarHBondContact CA-OE2 3.05Å; C46-E49 PolarHBondContact O-N 3.11Å; E49-L53 WeakPolarHBondContact O-CB 3.33Å; E49-L53 PolarHBondContact O-N 3.14Å |
| 50 | V | 98.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 80.2 Ų | 80.2 | 33% | 0.333 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L29 C46 H47 D48 D52 L53 M54 | L29-V50 HydrophobicContact CD1-CG2 3.69Å; L29-V50 HydrophobicContact CD2-CG2 4.21Å; C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 3.42Å; C46-V50 VanDerWaalsContact O-N 3.07Å; H47-V50 WeakPolarHBondContact O-CB 3.42Å; H47-V50 PolarHBondContact O-N 3.19Å; D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact O-N 3.21Å; V50-D52 VanDerWaalsContact C-N 3.32Å; V50-D52 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 3.43Å; V50-M54 HydrophobicContact CG1-CG 4.25Å; V50-M54 HydrophobicContact CG1-SD 3.79Å; V50-M54 WeakPolarHBondContact O-CB 3.05Å; V50-M54 VanDerWaalsContact O-CG 3.25Å; V50-M54 WeakPolarHBondContact O-CG 3.24Å; V50-M54 PolarHBondContact O-N 3.16Å |
| 51 | V | 98.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | H47 D48 M54 T55 | H47-V51 VanDerWaalsContact CE1-CG2 3.42Å; H47-V51 WeakPolarHBondContact CE1-CG2 3.46Å; H47-V51 WeakPolarHBondContact O-CG2 3.33Å; H47-V51 PolarHBondContact O-N 2.94Å; D48-V51 PolarHBondContact O-N 3.37Å; V51-M54 PolarHBondContact O-N 2.04Å; V51-T55 VanDerWaalsContact O-CB 3.25Å; V51-T55 WeakPolarHBondContact O-CB 3.38Å; V51-T55 PolarHBondContact O-N 3.43Å; V51-T55 PolarHBondContact O-OG1 2.88Å |
| 52 | D | 98.6 | Very high | 98 | Very high | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.6 | -84.1 | -16.9 | 0 | 0 | 0 | 112.2 | F25 D48 V50 T55 C56 | F25-D52 HydrophobicContact CD1-CB 3.72Å; F25-D52 HydrophobicContact CE1-CB 3.91Å; D48-D52 WeakPolarHBondContact O-CB 3.46Å; D48-D52 PolarHBondContact O-N 2.71Å; V50-D52 VanDerWaalsContact C-N 3.32Å; V50-D52 PolarHBondContact O-N 3.44Å; D52-T55 PolarHBondContact O-N 2.97Å; D52-C56 PolarHBondContact O-N 3.47Å |
| 53 | L | 98.7 | Very high | 98 | Very high | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.8 | 176 | 58.5 | 0 | 0 | 0 | 111.2 | C22 F25 V26 L29 E49 V50 T55 C56 V57 | C22-L53 HydrophobicContact CB-CD1 4.17Å; F25-L53 HydrophobicContact CB-CB 3.94Å; F25-L53 HydrophobicContact CB-CD1 3.89Å; V26-L53 HydrophobicContact CG2-CD1 3.53Å; V26-L53 HydrophobicContact CG2-CD2 4.16Å; L29-L53 HydrophobicContact CD2-CD2 3.79Å; E49-L53 WeakPolarHBondContact O-CB 3.33Å; E49-L53 PolarHBondContact O-N 3.14Å; V50-L53 PolarHBondContact O-N 3.43Å; L53-T55 VanDerWaalsContact C-N 3.35Å; L53-T55 PolarHBondContact O-N 3.45Å; L53-C56 PolarHBondContact O-N 3.47Å; L53-V57 HydrophobicContact CD1-CG2 3.88Å; L53-V57 HydrophobicContact CG-CG2 4.42Å; L53-V57 WeakPolarHBondContact O-CB 3.3Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.49Å |
| 54 | M | 98.2 | Very high | 98 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 179 | -71.8 | -176.5 | 78.8 | 0 | 0 | 111.3 | V50 V51 C56 V57 D58 | V50-M54 HydrophobicContact CG1-CG 4.25Å; V50-M54 HydrophobicContact CG1-SD 3.79Å; V50-M54 WeakPolarHBondContact O-CB 3.05Å; V50-M54 VanDerWaalsContact O-CG 3.25Å; V50-M54 WeakPolarHBondContact O-CG 3.24Å; V50-M54 PolarHBondContact O-N 3.16Å; V51-M54 PolarHBondContact O-N 2.04Å; M54-C56 VanDerWaalsContact C-N 3.33Å; M54-C56 PolarHBondContact O-N 2.96Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-D58 WeakPolarHBondContact O-CB 2.98Å; M54-D58 PolarHBondContact O-N 3.24Å |
| 55 | T | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | V51 D52 L53 K59 | V51-T55 VanDerWaalsContact O-CB 3.25Å; V51-T55 WeakPolarHBondContact O-CB 3.38Å; V51-T55 PolarHBondContact O-N 3.43Å; V51-T55 PolarHBondContact O-OG1 2.88Å; D52-T55 PolarHBondContact O-N 2.97Å; L53-T55 VanDerWaalsContact C-N 3.35Å; L53-T55 PolarHBondContact O-N 3.45Å; T55-K59 HydrophobicContact CG2-CD 4.13Å; T55-K59 WeakPolarHBondContact O-CB 3.1Å; T55-K59 VanDerWaalsContact O-CG 3.23Å; T55-K59 WeakPolarHBondContact O-CG 3.5Å; T55-K59 PolarHBondContact O-N 2.8Å; T55-K59 VanDerWaalsContact O-N 3.13Å |
| 56 | C | 98.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | C22 F25 D52 L53 M54 D58 K59 C60 | C22-C56 VanDerWaalsContact CA-SG 3.5Å; C22-C56 HydrophobicContact CB-CB 3.83Å; C22-C56 WeakPolarHBondContact CB-SG 3.4Å; C22-C56 WeakPolarHBondContact SG-CB 3.46Å; C22-C56 PolarHBondContact SG-O 2.96Å; C22-C56 CovalentContact SG-SG 2.04Å; C22-C56 PolarHBondContact SG-SG 3.17Å; F25-C56 HydrophobicContact CD2-CB 3.56Å; F25-C56 HydrophobicContact CE2-CB 3.57Å; D52-C56 PolarHBondContact O-N 3.47Å; L53-C56 PolarHBondContact O-N 3.47Å; M54-C56 VanDerWaalsContact C-N 3.33Å; M54-C56 PolarHBondContact O-N 2.96Å; C56-D58 PolarHBondContact O-N 2.82Å; C56-K59 PolarHBondContact O-N 3.1Å; C56-C60 WeakPolarHBondContact O-CB 3.36Å; C56-C60 PolarHBondContact O-N 2.67Å |
| 57 | V | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | -178.2 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | R14 K18 C22 L53 M54 C60 A61 | R14-V57 HydrophobicContact CB-CG1 3.92Å; R14-V57 HydrophobicContact CG-CG1 3.61Å; K18-V57 HydrophobicContact CG-CG2 3.9Å; C22-V57 HydrophobicContact CB-CG2 4.16Å; C22-V57 PolarHBondContact SG-N 3.31Å; L53-V57 HydrophobicContact CD1-CG2 3.88Å; L53-V57 HydrophobicContact CG-CG2 4.42Å; L53-V57 WeakPolarHBondContact O-CB 3.3Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.49Å; M54-V57 PolarHBondContact O-N 2.97Å; V57-C60 PolarHBondContact O-N 2.95Å; V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.02Å; V57-A61 PolarHBondContact O-N 2.91Å |
| 58 | D | 98.3 | Very high | 97 | Very high | 55 Ų | 55 | 67.9 Ų | 67.9 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 179.8 | -74.2 | -24.6 | 0 | 0 | 0 | 111.5 | R14 M54 C56 C60 A61 V62 | R14-D58 IonicContact CZ-OD1 3.79Å; R14-D58 IonicContact NE-OD1 3.74Å; R14-D58 IonicContact NH2-OD1 2.97Å; R14-D58 PolarHBondContact NH2-OD1 3.02Å; M54-D58 WeakPolarHBondContact O-CB 2.98Å; M54-D58 PolarHBondContact O-N 3.24Å; C56-D58 PolarHBondContact O-N 2.82Å; D58-C60 PolarHBondContact O-N 2.69Å; D58-A61 PolarHBondContact O-N 3.37Å; D58-V62 HydrophobicContact CB-CG2 3.97Å; D58-V62 WeakPolarHBondContact O-CB 3.46Å; D58-V62 WeakPolarHBondContact O-CG2 3.42Å; D58-V62 PolarHBondContact O-N 3.17Å |
| 59 | K | 98.4 | Very high | 96.6 | Very high | 159 Ų | 159 | 68.6 Ų | 68.6 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.5 | -33.5 | 173 | -76.4 | 173.2 | -179 | 174.4 | 0 | 112.5 | T55 C56 P63 | T55-K59 HydrophobicContact CG2-CD 4.13Å; T55-K59 WeakPolarHBondContact O-CB 3.1Å; T55-K59 VanDerWaalsContact O-CG 3.23Å; T55-K59 WeakPolarHBondContact O-CG 3.5Å; T55-K59 PolarHBondContact O-N 2.8Å; T55-K59 VanDerWaalsContact O-N 3.13Å; C56-K59 PolarHBondContact O-N 3.1Å; K59-P63 WeakPolarHBondContact O-CD 3.25Å |
| 60 | C | 98.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 77.8 Ų | 77.8 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.9 | -50.9 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 112.9 | C17 C56 V57 D58 R64 | C17-C60 HydrophobicContact CB-CB 3.62Å; C17-C60 WeakPolarHBondContact CB-SG 3.43Å; C17-C60 WeakPolarHBondContact SG-CB 3.3Å; C17-C60 CovalentContact SG-SG 2.03Å; C17-C60 PolarHBondContact SG-SG 3.26Å; C56-C60 WeakPolarHBondContact O-CB 3.36Å; C56-C60 PolarHBondContact O-N 2.67Å; V57-C60 PolarHBondContact O-N 2.95Å; D58-C60 PolarHBondContact O-N 2.69Å; C60-R64 WeakPolarHBondContact O-CD 3.39Å; C60-R64 VanDerWaalsContact O-CG 3.31Å; C60-R64 WeakPolarHBondContact O-CG 3.43Å; C60-R64 PolarHBondContact O-NE 3.05Å |
| 61 | A | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -86.3 | -39 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113 | L10 L13 R14 C17 V57 D58 R64 A65 | L10-A61 HydrophobicContact CD1-CB 4.15Å; L13-A61 HydrophobicContact CB-CB 3.91Å; R14-A61 HydrophobicContact CG-CB 3.91Å; C17-A61 PolarHBondContact SG-N 2.87Å; C17-A61 VanDerWaalsContact SG-N 3.42Å; V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.02Å; V57-A61 PolarHBondContact O-N 2.91Å; D58-A61 PolarHBondContact O-N 3.37Å; A61-R64 WeakPolarHBondContact O-CB 3.18Å; A61-R64 PolarHBondContact O-N 3.44Å; A61-R64 VanDerWaalsContact O-N 3.12Å; A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.06Å |
| 62 | V | 96.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 79.9 Ų | 79.9 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | -171.5 | 174.9 | 0 | 0 | 0 | 0 | 112 | D58 R64 A65 F66 | D58-V62 HydrophobicContact CB-CG2 3.97Å; D58-V62 WeakPolarHBondContact O-CB 3.46Å; D58-V62 WeakPolarHBondContact O-CG2 3.42Å; D58-V62 PolarHBondContact O-N 3.17Å; V62-R64 PolarHBondContact O-N 3.44Å; V62-A65 PolarHBondContact O-N 3.04Å; V62-F66 HydrophobicContact CG1-CD2 3.48Å; V62-F66 VanDerWaalsContact CG1-CD2 3.48Å; V62-F66 HydrophobicContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact O-CD2 3.3Å; V62-F66 WeakPolarHBondContact O-CD2 3.32Å; V62-F66 PolarHBondContact O-N 3.44Å |
| 63 | P | 96.2 | Very high | 94.7 | Very high | 65 Ų | 65 | 79.7 Ų | 79.7 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -29 | 176.8 | -22.2 | 34.1 | 0 | 0 | 0 | 113.2 | K59 R67 | K59-P63 WeakPolarHBondContact O-CD 3.25Å; P63-R67 VanDerWaalsContact C-NH1 3.35Å; P63-R67 WeakPolarHBondContact O-CG 3.44Å; P63-R67 PolarHBondContact O-NH1 3.14Å |
| 64 | R | 95.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 83.2 Ų | 83.2 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.1 | -46.3 | 176.8 | -65.4 | 172.8 | -170.8 | -159.8 | 2.7 | 110.5 | L13 C60 A61 V62 R67 | L13-R64 HydrophobicContact CD1-CB 3.71Å; L13-R64 HydrophobicContact CD2-CB 3.81Å; L13-R64 HydrophobicContact CD2-CG 4.43Å; L13-R64 HydrophobicContact CG-CB 4.36Å; C60-R64 WeakPolarHBondContact O-CD 3.39Å; C60-R64 VanDerWaalsContact O-CG 3.31Å; C60-R64 WeakPolarHBondContact O-CG 3.43Å; C60-R64 PolarHBondContact O-NE 3.05Å; A61-R64 WeakPolarHBondContact O-CB 3.18Å; A61-R64 PolarHBondContact O-N 3.44Å; A61-R64 VanDerWaalsContact O-N 3.12Å; V62-R64 PolarHBondContact O-N 3.44Å; R64-R67 VanDerWaalsContact CG-NH2 3.31Å; R64-R67 WeakPolarHBondContact O-CB 3.41Å; R64-R67 PolarHBondContact O-N 2.9Å |
| 65 | A | 94.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 81.9 Ų | 81.9 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 L13 A61 V62 R67 M68 | L10-A65 HydrophobicContact CB-CB 4.24Å; L10-A65 HydrophobicContact CD1-CB 3.75Å; L13-A65 HydrophobicContact CD1-CB 3.8Å; A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.06Å; V62-A65 PolarHBondContact O-N 3.04Å; A65-R67 PolarHBondContact O-N 3.44Å; A65-R67 VanDerWaalsContact O-N 3.16Å; A65-M68 WeakPolarHBondContact O-CB 3.42Å; A65-M68 PolarHBondContact O-N 2.93Å |
| 66 | F | 93.9 | Very high | 94 | Very high | 141 Ų | 141 | 83.3 Ų | 83.3 | 62% | 0.618 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.7 | -23.4 | 177.5 | -85 | -71 | 0 | 0 | 0 | 113.8 | V62 M68 L69 | V62-F66 HydrophobicContact CG1-CD2 3.48Å; V62-F66 VanDerWaalsContact CG1-CD2 3.48Å; V62-F66 HydrophobicContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact O-CD2 3.3Å; V62-F66 WeakPolarHBondContact O-CD2 3.32Å; V62-F66 PolarHBondContact O-N 3.44Å; F66-M68 VanDerWaalsContact C-N 3.26Å; F66-M68 PolarHBondContact O-N 3.35Å; F66-L69 HydrophobicContact CD1-CD1 3.84Å; F66-L69 HydrophobicContact CE1-CD1 4.09Å |
| 67 | R | 93.8 | Very high | 93.6 | Very high | 150 Ų | 150 | 87.9 Ų | 87.9 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71.6 | -21 | 172.3 | -72.5 | -173.3 | -61 | -97.1 | 20.1 | 113.2 | P63 R64 A65 | P63-R67 VanDerWaalsContact C-NH1 3.35Å; P63-R67 WeakPolarHBondContact O-CG 3.44Å; P63-R67 PolarHBondContact O-NH1 3.14Å; R64-R67 VanDerWaalsContact CG-NH2 3.31Å; R64-R67 WeakPolarHBondContact O-CB 3.41Å; R64-R67 PolarHBondContact O-N 2.9Å; A65-R67 PolarHBondContact O-N 3.44Å; A65-R67 VanDerWaalsContact O-N 3.16Å |
| 68 | M | 89.6 | Confident | 93.2 | Very high | 113 Ų | 113 | 94 Ų | 94 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -89.4 | -9.8 | 180 | -57.4 | 177 | 70.5 | 0 | 0 | 113.2 | P9 L13 A65 F66 K70 | P9-M68 HydrophobicContact CB-CE 3.59Å; P9-M68 HydrophobicContact CB-SD 3.71Å; L13-M68 HydrophobicContact CD1-SD 4.03Å; A65-M68 WeakPolarHBondContact O-CB 3.42Å; A65-M68 PolarHBondContact O-N 2.93Å; F66-M68 VanDerWaalsContact C-N 3.26Å; F66-M68 PolarHBondContact O-N 3.35Å; M68-K70 VanDerWaalsContact C-N 3.27Å |
| 69 | L | 88.3 | Confident | 92.8 | Very high | 133 Ų | 133 | 97.3 Ų | 97.3 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | trans | -86.3 | 4.8 | 176.1 | -62.5 | 179.8 | 0 | 0 | 0 | 113.3 | F66 | F66-L69 HydrophobicContact CD1-CD1 3.84Å; F66-L69 HydrophobicContact CE1-CD1 4.09Å | ||
| 70 | K | 71.3 | Confident | 92.3 | Very high | 238 Ų | 238 | 91.6 Ų | 91.6 | 100% | 1.035 | 43% | 0.43 | S | S | * | . | trans | -80.4 | 0 | 171.5 | -68.8 | -175.3 | 176.7 | -177.5 | 0 | 110.2 | M68 | M68-K70 VanDerWaalsContact C-N 3.27Š|
Retrieved 70 of 70 residues in 46.7 ms
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