| 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 | 30.4 | Very low | 50.1 | Low | 229 Ų | 229 | 115.9 Ų | 115.9 | 100% | 1.128 | 59% | 0.592 | S | S | * | * | 0 | 5.9 | 0 | -74.1 | -165.8 | -168.7 | 0 | 0 | 114.4 | |||||
| 2 | T | 31.1 | Very low | 52.7 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | trans | -88.7 | -20.9 | -177.9 | 38.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 3 | A | 33.8 | Very low | 55.1 | Low | 80 Ų | 80 | 109.7 Ų | 109.7 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -21.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S6 | A3-S6 PolarHBondContact O-OG 2.94Å; A3-S6 VanDerWaalsContact O-OG 3.05Å |
| 4 | R | 32.1 | Very low | 57.3 | Low | 235 Ų | 235 | 102.4 Ų | 102.4 | 89% | 0.887 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -76.4 | -22.2 | 178.2 | -92 | -175.6 | 176.4 | 173.9 | -1.4 | 113.5 | ||
| 5 | K | 34.1 | Very low | 59.2 | Low | 157 Ų | 157 | 100 Ų | 100 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -86.6 | -18.2 | 178.3 | -78.5 | -176.3 | 175.1 | -178.8 | 0 | 113.6 | S8 R9 | K5-S8 PolarHBondContact O-OG 2.88Å; K5-R9 WeakPolarHBondContact O-CG 3.32Å |
| 6 | S | 40.4 | Very low | 60.8 | Low | 71 Ų | 71 | 98.7 Ų | 98.7 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.1 | -36.6 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | A3 R9 L10 | A3-S6 PolarHBondContact O-OG 2.94Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; S6-R9 PolarHBondContact O-N 3.15Å; S6-L10 PolarHBondContact O-N 3.2Å; S6-L10 VanDerWaalsContact O-N 3.08Å |
| 7 | G | 50.7 | Low | 62.3 | Low | 22 Ų | 22 | 92.9 Ų | 92.9 | 23% | 0.227 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R9 L10 E11 | G7-R9 VanDerWaalsContact C-N 3.28Å; G7-R9 PolarHBondContact O-N 3.19Å; G7-L10 PolarHBondContact O-N 3.44Å; G7-E11 WeakPolarHBondContact O-CG 3.49Å; G7-E11 PolarHBondContact O-N 3.12Å |
| 8 | S | 64.1 | Low | 63.7 | Low | 65 Ų | 65 | 88.3 Ų | 88.3 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.2 | -26.5 | 178.2 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | K5 T12 | K5-S8 PolarHBondContact O-OG 2.88Å; S8-T12 VanDerWaalsContact O-CG2 3.24Å; S8-T12 WeakPolarHBondContact O-CG2 3.44Å; S8-T12 PolarHBondContact O-N 3.25Å; S8-T12 PolarHBondContact O-OG1 2.9Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å |
| 9 | R | 73.8 | Confident | 64.8 | Low | 188 Ų | 188 | 84.8 Ų | 84.8 | 71% | 0.709 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -79.9 | -37.6 | 177.3 | -74.6 | -179.1 | 177 | -174.8 | -2.3 | 112 | K5 S6 G7 T12 E13 | K5-R9 WeakPolarHBondContact O-CG 3.32Å; S6-R9 PolarHBondContact O-N 3.15Å; G7-R9 VanDerWaalsContact C-N 3.28Å; G7-R9 PolarHBondContact O-N 3.19Å; R9-T12 WeakPolarHBondContact CA-OG1 3.33Å; R9-T12 PolarHBondContact O-OG1 3.29Å; R9-E13 PolarHBondContact O-N 3.48Å |
| 10 | L | 81 | Confident | 65.7 | Low | 22 Ų | 22 | 82.9 Ų | 82.9 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 176.8 | -176.4 | 64.2 | 0 | 0 | 0 | 111 | S6 G7 T12 E13 I14 L29 Q32 L33 | S6-L10 PolarHBondContact O-N 3.2Å; S6-L10 VanDerWaalsContact O-N 3.08Å; G7-L10 PolarHBondContact O-N 3.44Å; L10-T12 PolarHBondContact O-N 3.03Å; L10-E13 PolarHBondContact O-N 3.27Å; L10-I14 HydrophobicContact CG-CD1 4.13Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.25Å; L10-L29 HydrophobicContact CD1-CB 4.34Å; L10-L29 HydrophobicContact CD1-CD2 3.84Å; L10-Q32 HydrophobicContact CD1-CB 4.23Å; L10-Q32 HydrophobicContact CD2-CB 3.98Å; L10-Q32 WeakPolarHBondContact CD2-O 3.4Å; L10-L33 HydrophobicContact CD2-CD2 4.06Å; L10-L33 HydrophobicContact CD2-CG 4.13Å |
| 11 | E | 79.3 | Confident | 66.5 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58 | -46 | 174.1 | -73.2 | 171.1 | -170.6 | 0 | 0 | 111.4 | G7 E13 I14 E15 | G7-E11 WeakPolarHBondContact O-CG 3.49Å; G7-E11 PolarHBondContact O-N 3.12Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3Å; E11-I14 PolarHBondContact O-N 2.99Å; E11-E15 WeakPolarHBondContact O-CG 3.25Å; E11-E15 PolarHBondContact O-N 3.37Å |
| 12 | T | 82.1 | Confident | 69.1 | Low | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | S8 R9 L10 R16 | S8-T12 VanDerWaalsContact O-CG2 3.24Å; S8-T12 WeakPolarHBondContact O-CG2 3.44Å; S8-T12 PolarHBondContact O-N 3.25Å; S8-T12 PolarHBondContact O-OG1 2.9Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å; R9-T12 WeakPolarHBondContact CA-OG1 3.33Å; R9-T12 PolarHBondContact O-OG1 3.29Å; L10-T12 PolarHBondContact O-N 3.03Å; T12-R16 VanDerWaalsContact O-CB 3.27Å; T12-R16 WeakPolarHBondContact O-CB 3.44Å; T12-R16 PolarHBondContact O-N 3.26Å |
| 13 | E | 83.9 | Confident | 71.8 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.8 | -37.2 | 176.4 | -170.9 | 64.8 | -167.5 | 0 | 0 | 111.1 | R9 L10 E11 R16 C17 L29 | R9-E13 PolarHBondContact O-N 3.48Å; L10-E13 PolarHBondContact O-N 3.27Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3Å; E13-R16 PolarHBondContact O-N 2.9Å; E13-C17 WeakPolarHBondContact O-CB 2.91Å; E13-C17 PolarHBondContact O-N 3.49Å; E13-C17 PolarHBondContact O-SG 3.39Å; E13-C17 VanDerWaalsContact O-SG 3.41Å; E13-L29 HydrophobicContact CG-CD1 4.23Å; E13-L29 HydrophobicContact CG-CD2 4.26Å |
| 14 | I | 85.3 | Confident | 74.3 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 172.3 | -70 | 166.9 | 0 | 0 | 0 | 110.1 | L10 E11 R16 C17 R18 L29 L33 L47 | L10-I14 HydrophobicContact CG-CD1 4.13Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.25Å; E11-I14 PolarHBondContact O-N 2.99Å; I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.24Å; I14-C17 PolarHBondContact O-N 3.4Å; I14-R18 HydrophobicContact CG2-CG 4.48Å; I14-R18 WeakPolarHBondContact O-CG 3.37Å; I14-R18 PolarHBondContact O-N 3.34Å; I14-L29 HydrophobicContact CD1-CB 4.42Å; I14-L29 HydrophobicContact CG1-CB 3.86Å; I14-L29 HydrophobicContact CG1-CD1 4.11Å; I14-L33 HydrophobicContact CD1-CD1 4.32Å; I14-L33 HydrophobicContact CD1-CD2 4.29Å; I14-L33 HydrophobicContact CD1-CG 4.36Å; I14-L47 HydrophobicContact CD1-CD1 4.15Å; I14-L47 HydrophobicContact CG2-CD1 3.73Å; I14-L47 HydrophobicContact CG2-CD2 3.76Å; I14-L47 HydrophobicContact CG2-CG 4.41Å |
| 15 | E | 85.5 | Confident | 76.9 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 177.7 | -71.7 | -178.2 | 176.4 | 0 | 0 | 112.3 | E11 S19 Y136 | E11-E15 WeakPolarHBondContact O-CG 3.25Å; E11-E15 PolarHBondContact O-N 3.37Å; E15-S19 WeakPolarHBondContact O-CB 3.48Å; E15-S19 PolarHBondContact O-N 2.95Å; E15-S19 PolarHBondContact O-OG 2.96Å; E15-Y136 HydrophobicContact CB-CE1 4.22Å; E15-Y136 HydrophobicContact CG-CE1 4Å |
| 16 | R | 84.6 | Confident | 79.4 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -50.1 | 174.2 | -178.6 | -167.4 | 169.9 | 142.8 | 13.5 | 111.4 | T12 E13 I14 R18 S19 E20 | T12-R16 VanDerWaalsContact O-CB 3.27Å; T12-R16 WeakPolarHBondContact O-CB 3.44Å; T12-R16 PolarHBondContact O-N 3.26Å; E13-R16 PolarHBondContact O-N 2.9Å; I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.24Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.34Å; R16-S19 PolarHBondContact O-N 2.89Å; R16-S19 VanDerWaalsContact O-N 3.1Å; R16-E20 HydrophobicContact CG-CG 4.4Å; R16-E20 IonicContact CZ-OE1 3.65Å; R16-E20 VanDerWaalsContact CZ-OE1 3.24Å; R16-E20 IonicContact NE-OE1 3.3Å; R16-E20 PolarHBondContact NE-OE1 3.49Å; R16-E20 IonicContact NE-OE2 2.87Å; R16-E20 IonicContact NH2-OE1 3.75Å; R16-E20 PolarHBondContact NH2-OE1 2.89Å; R16-E20 IonicContact NH2-OE2 3.68Å; R16-E20 WeakPolarHBondContact O-CG 3.44Å; R16-E20 PolarHBondContact O-N 3.24Å |
| 17 | C | 86.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 179.5 | -76.1 | 0 | 0 | 0 | 0 | 112.1 | E13 I14 E20 G21 Q22 I26 L29 | E13-C17 WeakPolarHBondContact O-CB 2.91Å; E13-C17 PolarHBondContact O-N 3.49Å; E13-C17 PolarHBondContact O-SG 3.39Å; E13-C17 VanDerWaalsContact O-SG 3.41Å; I14-C17 PolarHBondContact O-N 3.4Å; C17-E20 PolarHBondContact O-N 3.23Å; C17-G21 PolarHBondContact O-N 3.19Å; C17-G21 VanDerWaalsContact O-N 3.08Å; C17-Q22 HydrophobicContact CB-CB 4.25Å; C17-Q22 PolarHBondContact O-N 3.42Å; C17-I26 HydrophobicContact CB-CD1 3.6Å; C17-L29 HydrophobicContact CB-CD1 4.26Å |
| 18 | R | 87.8 | Confident | 83.3 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.038 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 172.5 | -67.4 | 175.4 | 76.7 | -172.9 | 2.2 | 111.8 | I14 R16 G21 W23 I26 L47 E50 E98 Y136 | I14-R18 HydrophobicContact CG2-CG 4.48Å; I14-R18 WeakPolarHBondContact O-CG 3.37Å; I14-R18 PolarHBondContact O-N 3.34Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.34Å; R18-G21 PolarHBondContact O-N 3.3Å; R18-W23 HydrophobicContact CB-CH2 4.38Å; R18-W23 HydrophobicContact CB-CZ3 4.39Å; R18-W23 HydrophobicContact CG-CZ3 4.12Å; R18-I26 HydrophobicContact CG-CD1 4.05Å; R18-L47 HydrophobicContact CG-CD2 4.5Å; R18-E50 IonicContact CZ-OE1 2.75Å; R18-E50 IonicContact CZ-OE2 2.71Å; R18-E50 IonicContact NE-OE1 2.66Å; R18-E50 IonicContact NE-OE2 2.64Å; R18-E50 PolarHBondContact NE-OE2 3.21Å; R18-E50 IonicContact NH2-OE1 3.62Å; R18-E50 PolarHBondContact NH2-OE1 3.38Å; R18-E50 IonicContact NH2-OE2 3.04Å; R18-E50 PolarHBondContact NH2-OE2 3.35Å; R18-E98 IonicContact CZ-OE2 2.83Å; R18-E98 VanDerWaalsContact CZ-OE2 3.3Å; R18-E98 IonicContact NH1-OE1 2.6Å; R18-E98 IonicContact NH1-OE2 2.62Å; R18-E98 PolarHBondContact NH1-OE2 3.21Å; R18-E98 IonicContact NH2-OE2 2.84Å; R18-E98 PolarHBondContact NH2-OE2 3.08Å; R18-Y136 HydrophobicContact CB-CD1 4.07Å; R18-Y136 HydrophobicContact CB-CD2 4.47Å; R18-Y136 HydrophobicContact CB-CG 3.87Å; R18-Y136 VanDerWaalsContact CZ-CD2 3.49Å; R18-Y136 PolarHBondContact NH1-OH 3.11Å; R18-Y136 VanDerWaalsContact NH2-CE2 3.29Å |
| 19 | S | 85.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.2 | -32.5 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | E15 R16 G21 Y136 | E15-S19 WeakPolarHBondContact O-CB 3.48Å; E15-S19 PolarHBondContact O-N 2.95Å; E15-S19 PolarHBondContact O-OG 2.96Å; R16-S19 PolarHBondContact O-N 2.89Å; R16-S19 VanDerWaalsContact O-N 3.1Å; S19-G21 VanDerWaalsContact C-N 3.35Å; S19-Y136 PolarHBondContact OG-N 3.35Å |
| 20 | E | 82.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.8 | 176.4 | -66.5 | 179.4 | -177.5 | 0 | 0 | 112.6 | R16 C17 Q22 L203 | R16-E20 HydrophobicContact CG-CG 4.4Å; R16-E20 IonicContact CZ-OE1 3.65Å; R16-E20 VanDerWaalsContact CZ-OE1 3.24Å; R16-E20 IonicContact NE-OE1 3.3Å; R16-E20 PolarHBondContact NE-OE1 3.49Å; R16-E20 IonicContact NE-OE2 2.87Å; R16-E20 IonicContact NH2-OE1 3.75Å; R16-E20 PolarHBondContact NH2-OE1 2.89Å; R16-E20 IonicContact NH2-OE2 3.68Å; R16-E20 WeakPolarHBondContact O-CG 3.44Å; R16-E20 PolarHBondContact O-N 3.24Å; C17-E20 PolarHBondContact O-N 3.23Å; E20-Q22 VanDerWaalsContact C-N 3.27Å; E20-Q22 HydrophobicContact CB-CG 4.07Å; E20-Q22 PolarHBondContact O-N 2.95Å; E20-Q22 VanDerWaalsContact OE2-CD 3.32Å; E20-Q22 PolarHBondContact OE2-NE2 3.38Å; E20-L203 HydrophobicContact CG-CD2 4.37Å |
| 21 | G | 82.5 | Confident | 84.8 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 24 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C17 R18 S19 W23 | C17-G21 PolarHBondContact O-N 3.19Å; C17-G21 VanDerWaalsContact O-N 3.08Å; R18-G21 PolarHBondContact O-N 3.3Å; S19-G21 VanDerWaalsContact C-N 3.35Å; G21-W23 PolarHBondContact O-N 2.96Å; G21-W23 PolarHBondContact O-NE1 3.45Å |
| 22 | Q | 85.8 | Confident | 84.9 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | trans | -84.2 | 63.6 | -178.9 | -68 | 177.7 | 7.9 | 0 | 0 | 111.4 | C17 E20 D24 K25 | C17-Q22 HydrophobicContact CB-CB 4.25Å; C17-Q22 PolarHBondContact O-N 3.42Å; E20-Q22 VanDerWaalsContact C-N 3.27Å; E20-Q22 HydrophobicContact CB-CG 4.07Å; E20-Q22 PolarHBondContact O-N 2.95Å; E20-Q22 VanDerWaalsContact OE2-CD 3.32Å; E20-Q22 PolarHBondContact OE2-NE2 3.38Å; Q22-D24 PolarHBondContact O-N 3.1Å; Q22-K25 HydrophobicContact CB-CD 4.4Å; Q22-K25 PolarHBondContact O-N 3.36Å | ||
| 23 | W | 87.6 | Confident | 84.7 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63.2 | -27.8 | -173.7 | -54.2 | 113 | 0 | 0 | 0 | 113.6 | R18 G21 K25 I26 P27 E50 S51 Q54 | R18-W23 HydrophobicContact CB-CH2 4.38Å; R18-W23 HydrophobicContact CB-CZ3 4.39Å; R18-W23 HydrophobicContact CG-CZ3 4.12Å; G21-W23 PolarHBondContact O-N 2.96Å; G21-W23 PolarHBondContact O-NE1 3.45Å; W23-K25 PolarHBondContact O-N 3.44Å; W23-I26 HydrophobicContact CE3-CG1 4.2Å; W23-I26 PolarHBondContact O-N 3.18Å; W23-P27 VanDerWaalsContact O-CD 3.28Å; W23-P27 WeakPolarHBondContact O-CD 3.42Å; W23-E50 HydrophobicContact CH2-CG 4.1Å; W23-E50 HydrophobicContact CZ3-CG 3.85Å; W23-S51 PolarHBondContact O-OG 3.06Å; W23-S51 VanDerWaalsContact O-OG 3.08Å; W23-Q54 HydrophobicContact CD2-CB 3.7Å; W23-Q54 HydrophobicContact CD2-CG 4.13Å; W23-Q54 VanDerWaalsContact CE2-CB 3.48Å; W23-Q54 HydrophobicContact CE3-CB 4.34Å; W23-Q54 HydrophobicContact CE3-CG 4.43Å; W23-Q54 HydrophobicContact CG-CB 3.91Å; W23-Q54 HydrophobicContact CH2-CG 3.96Å; W23-Q54 HydrophobicContact CZ2-CB 3.98Å; W23-Q54 HydrophobicContact CZ2-CG 3.62Å; W23-Q54 HydrophobicContact CZ3-CG 4.35Å |
| 24 | D | 85.7 | Confident | 83.9 | Confident | 122 Ų | 122 | 54.1 Ų | 54.1 | 65% | 0.652 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -63 | -28.8 | 179.2 | -56.2 | -41.6 | 0 | 0 | 0 | 113.3 | Q22 | Q22-D24 PolarHBondContact O-N 3.1Š|
| 25 | K | 85.9 | Confident | 82.7 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -85.4 | -20.6 | -178.6 | -64.3 | -178.1 | -175 | 169.6 | 0 | 113.1 | Q22 W23 E28 L29 | Q22-K25 HydrophobicContact CB-CD 4.4Å; Q22-K25 PolarHBondContact O-N 3.36Å; W23-K25 PolarHBondContact O-N 3.44Å; K25-E28 PolarHBondContact O-N 2.94Å; K25-L29 HydrophobicContact CB-CD1 4.49Å; K25-L29 WeakPolarHBondContact O-CG 3.42Å; K25-L29 PolarHBondContact O-N 3.12Å; K25-L29 VanDerWaalsContact O-N 3.08Å |
| 26 | I | 87.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | -174.6 | -61.2 | -64.2 | 0 | 0 | 0 | 111.9 | C17 R18 W23 E28 L29 V30 L47 | C17-I26 HydrophobicContact CB-CD1 3.6Å; R18-I26 HydrophobicContact CG-CD1 4.05Å; W23-I26 HydrophobicContact CE3-CG1 4.2Å; W23-I26 PolarHBondContact O-N 3.18Å; I26-E28 VanDerWaalsContact C-N 3.26Å; I26-E28 PolarHBondContact O-N 2.8Å; I26-L29 PolarHBondContact O-N 3.26Å; I26-V30 HydrophobicContact CG2-CG2 4.1Å; I26-V30 VanDerWaalsContact O-CG2 3.29Å; I26-V30 WeakPolarHBondContact O-CG2 3.39Å; I26-V30 PolarHBondContact O-N 2.99Å; I26-L47 HydrophobicContact CG2-CB 3.97Å |
| 27 | P | 87.4 | Confident | 79.9 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 177.1 | -25.8 | 35.2 | 0 | 0 | 0 | 114 | W23 R31 L48 | W23-P27 VanDerWaalsContact O-CD 3.28Å; W23-P27 WeakPolarHBondContact O-CD 3.42Å; P27-R31 WeakPolarHBondContact O-CG 3.44Å; P27-R31 PolarHBondContact O-N 3.26Å; P27-L48 HydrophobicContact CB-CD2 4.04Å; P27-L48 HydrophobicContact CG-CD2 4.26Å |
| 28 | E | 85.8 | Confident | 78.7 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.3 | -39.3 | 177.8 | -63.2 | -174.1 | 166.3 | 0 | 0 | 112.2 | K25 I26 R31 Q32 | K25-E28 PolarHBondContact O-N 2.94Å; I26-E28 VanDerWaalsContact C-N 3.26Å; I26-E28 PolarHBondContact O-N 2.8Å; E28-R31 PolarHBondContact O-N 3.37Å; E28-Q32 WeakPolarHBondContact O-CG 3.43Å; E28-Q32 PolarHBondContact O-NE2 3.02Å |
| 29 | L | 84.6 | Confident | 77.5 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 176.5 | -65.9 | 173.6 | 0 | 0 | 0 | 111.7 | L10 E13 I14 C17 K25 I26 R31 Q32 L33 | L10-L29 HydrophobicContact CD1-CB 4.34Å; L10-L29 HydrophobicContact CD1-CD2 3.84Å; E13-L29 HydrophobicContact CG-CD1 4.23Å; E13-L29 HydrophobicContact CG-CD2 4.26Å; I14-L29 HydrophobicContact CD1-CB 4.42Å; I14-L29 HydrophobicContact CG1-CB 3.86Å; I14-L29 HydrophobicContact CG1-CD1 4.11Å; C17-L29 HydrophobicContact CB-CD1 4.26Å; K25-L29 HydrophobicContact CB-CD1 4.49Å; K25-L29 WeakPolarHBondContact O-CG 3.42Å; K25-L29 PolarHBondContact O-N 3.12Å; K25-L29 VanDerWaalsContact O-N 3.08Å; I26-L29 PolarHBondContact O-N 3.26Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 2.82Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.84Å; L29-Q32 VanDerWaalsContact O-N 3.09Å; L29-L33 PolarHBondContact O-N 3.23Å |
| 30 | V | 84.1 | Confident | 76.6 | Confident | 20 Ų | 20 | 72 Ų | 72 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | I26 Q32 L33 L47 L48 | I26-V30 HydrophobicContact CG2-CG2 4.1Å; I26-V30 VanDerWaalsContact O-CG2 3.29Å; I26-V30 WeakPolarHBondContact O-CG2 3.39Å; I26-V30 PolarHBondContact O-N 2.99Å; V30-Q32 PolarHBondContact O-N 3.32Å; V30-L33 HydrophobicContact CB-CD1 4.4Å; V30-L33 HydrophobicContact CG1-CD1 4.3Å; V30-L33 HydrophobicContact CG2-CD1 4.38Å; V30-L33 WeakPolarHBondContact O-CB 3.49Å; V30-L33 PolarHBondContact O-N 3.36Å; V30-L33 VanDerWaalsContact O-N 3.11Å; V30-L47 HydrophobicContact CG2-CB 3.7Å; V30-L47 HydrophobicContact CG2-CD1 3.88Å; V30-L47 HydrophobicContact CG2-CG 4.47Å; V30-L48 HydrophobicContact CG1-CD1 4.14Å; V30-L48 HydrophobicContact CG1-CG 4.13Å |
| 31 | R | 82.5 | Confident | 76.2 | Confident | 189 Ų | 189 | 73.6 Ų | 73.6 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -21.2 | 174.7 | -69.3 | 179.1 | -153.6 | 125.2 | 3.4 | 113.5 | P27 E28 L29 | P27-R31 WeakPolarHBondContact O-CG 3.44Å; P27-R31 PolarHBondContact O-N 3.26Å; E28-R31 PolarHBondContact O-N 3.37Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 2.82Å |
| 32 | Q | 81.1 | Confident | 76.1 | Confident | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.1 | 179 | -62.6 | 172.7 | 33 | 0 | 0 | 112.6 | L10 E28 L29 V30 | L10-Q32 HydrophobicContact CD1-CB 4.23Å; L10-Q32 HydrophobicContact CD2-CB 3.98Å; L10-Q32 WeakPolarHBondContact CD2-O 3.4Å; E28-Q32 WeakPolarHBondContact O-CG 3.43Å; E28-Q32 PolarHBondContact O-NE2 3.02Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.84Å; L29-Q32 VanDerWaalsContact O-N 3.09Å; V30-Q32 PolarHBondContact O-N 3.32Å |
| 33 | L | 78.1 | Confident | 76 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -65.3 | 135.5 | 174.3 | -76.5 | 160.3 | 0 | 0 | 0 | 110 | L10 I14 L29 V30 A35 L47 | L10-L33 HydrophobicContact CD2-CD2 4.06Å; L10-L33 HydrophobicContact CD2-CG 4.13Å; I14-L33 HydrophobicContact CD1-CD1 4.32Å; I14-L33 HydrophobicContact CD1-CD2 4.29Å; I14-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 PolarHBondContact O-N 3.23Å; V30-L33 HydrophobicContact CB-CD1 4.4Å; V30-L33 HydrophobicContact CG1-CD1 4.3Å; V30-L33 HydrophobicContact CG2-CD1 4.38Å; V30-L33 WeakPolarHBondContact O-CB 3.49Å; V30-L33 PolarHBondContact O-N 3.36Å; V30-L33 VanDerWaalsContact O-N 3.11Å; L33-A35 PolarHBondContact O-N 3.28Å; L33-A35 VanDerWaalsContact O-N 3.12Å; L33-L47 HydrophobicContact CD1-CD1 4.42Å |
| 34 | P | 66.6 | Low | 75.8 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | trans | -70.6 | 113.6 | -178.2 | 23.4 | -27.2 | 0 | 0 | 0 | 110.5 | K36 N40 | P34-K36 PolarHBondContact O-N 3.28Å; P34-N40 PolarHBondContact O-ND2 2.92Å | ||
| 35 | A | 58.9 | Low | 75.9 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 67% | 0.669 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 16.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L33 | L33-A35 PolarHBondContact O-N 3.28Å; L33-A35 VanDerWaalsContact O-N 3.12Å |
| 36 | K | 53.3 | Low | 76 | Confident | 198 Ų | 198 | 62.2 Ų | 62.2 | 86% | 0.861 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.2 | -177.1 | -72 | -172.9 | 177.4 | -177.1 | 0 | 113.7 | P34 | P34-K36 PolarHBondContact O-N 3.28Š|
| 37 | L | 59.7 | Low | 76.1 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -120.5 | 126.4 | 171.9 | -89.1 | 93.2 | 0 | 0 | 0 | 109.2 | S39 N40 | L37-S39 PolarHBondContact O-N 3.35Å; L37-N40 HydrophobicContact CB-CB 4.47Å; L37-N40 WeakPolarHBondContact O-CB 3.22Å; L37-N40 PolarHBondContact O-N 3.39Å |
| 38 | I | 59.3 | Low | 76.2 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.5 | -31.3 | 177.1 | -58.6 | 162 | 0 | 0 | 0 | 111.1 | N40 D41 D42 | I38-N40 PolarHBondContact O-N 3.36Å; I38-D41 PolarHBondContact O-N 2.82Å; I38-D42 PolarHBondContact O-N 2.92Å |
| 39 | S | 62.8 | Low | 76.4 | Confident | 40 Ų | 40 | 57 Ų | 57 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -24.3 | 174 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | L37 L43 | L37-S39 PolarHBondContact O-N 3.35Å; S39-L43 WeakPolarHBondContact O-CB 3.45Å; S39-L43 PolarHBondContact O-N 3.34Å |
| 40 | N | 68.3 | Low | 76.8 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -82 | -29.2 | 179.1 | -66.2 | -7.1 | 0 | 0 | 0 | 112 | P34 L37 I38 G44 | P34-N40 PolarHBondContact O-ND2 2.92Å; L37-N40 HydrophobicContact CB-CB 4.47Å; L37-N40 WeakPolarHBondContact O-CB 3.22Å; L37-N40 PolarHBondContact O-N 3.39Å; I38-N40 PolarHBondContact O-N 3.36Å; N40-G44 PolarHBondContact O-N 3.34Å |
| 41 | D | 73.3 | Confident | 77.1 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 174.4 | -66.9 | -19.5 | 0 | 0 | 0 | 109.7 | I38 L43 G44 E45 | I38-D41 PolarHBondContact O-N 2.82Å; D41-L43 VanDerWaalsContact C-N 3.32Å; D41-L43 PolarHBondContact O-N 3.33Å; D41-G44 WeakPolarHBondContact O-CA 3.29Å; D41-G44 PolarHBondContact O-N 3.08Å; D41-G44 VanDerWaalsContact O-N 3.13Å; D41-E45 WeakPolarHBondContact O-CG 3.04Å; D41-E45 PolarHBondContact O-N 2.94Å |
| 42 | D | 80.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -30.7 | 177.5 | -64.2 | -19.5 | 0 | 0 | 0 | 112.4 | I38 E45 L46 R88 N90 L91 | I38-D42 PolarHBondContact O-N 2.92Å; D42-E45 PolarHBondContact O-N 3.38Å; D42-L46 PolarHBondContact O-N 2.86Å; D42-L46 VanDerWaalsContact O-N 3.15Å; D42-R88 WeakPolarHBondContact OD1-CD 3.49Å; D42-R88 IonicContact OD1-CZ 3.9Å; D42-R88 IonicContact OD1-NE 2.85Å; D42-R88 IonicContact OD1-NH1 3.72Å; D42-R88 PolarHBondContact OD1-NH1 2.93Å; D42-R88 WeakPolarHBondContact OD2-CB 3.49Å; D42-N90 WeakPolarHBondContact OD2-CB 3.39Å; D42-N90 PolarHBondContact OD2-ND2 3.42Å; D42-L91 HydrophobicContact CB-CD2 4.13Å; D42-L91 HydrophobicContact CB-CG 4.04Å |
| 43 | L | 82.8 | Confident | 77.9 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | 171.4 | -179 | 62.4 | 0 | 0 | 0 | 111.1 | S39 D41 L46 L47 L91 Y95 | S39-L43 WeakPolarHBondContact O-CB 3.45Å; S39-L43 PolarHBondContact O-N 3.34Å; D41-L43 VanDerWaalsContact C-N 3.32Å; D41-L43 PolarHBondContact O-N 3.33Å; L43-L46 HydrophobicContact CD1-CD2 4.45Å; L43-L46 PolarHBondContact O-N 2.84Å; L43-L47 HydrophobicContact CD1-CD1 4.34Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.47Å; L43-L91 HydrophobicContact CB-CD2 3.95Å; L43-L91 HydrophobicContact CD1-CD2 4.45Å; L43-Y95 HydrophobicContact CD1-CD1 3.99Å; L43-Y95 HydrophobicContact CD1-CD2 4.06Å; L43-Y95 HydrophobicContact CD1-CE1 4.04Å; L43-Y95 HydrophobicContact CD1-CE2 4.09Å; L43-Y95 HydrophobicContact CD1-CG 4.02Å |
| 44 | G | 83.3 | Confident | 78.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N40 D41 L47 L48 | N40-G44 PolarHBondContact O-N 3.34Å; D41-G44 WeakPolarHBondContact O-CA 3.29Å; D41-G44 PolarHBondContact O-N 3.08Å; D41-G44 VanDerWaalsContact O-N 3.13Å; G44-L47 PolarHBondContact O-N 3.15Å; G44-L48 WeakPolarHBondContact O-CB 3.43Å; G44-L48 VanDerWaalsContact O-CG 3.26Å; G44-L48 WeakPolarHBondContact O-CG 3.45Å; G44-L48 PolarHBondContact O-N 2.67Å |
| 45 | E | 87.4 | Confident | 79.5 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.9 | -66.3 | -66.3 | 142.4 | 0 | 0 | 112 | D41 D42 G49 H81 A85 | D41-E45 WeakPolarHBondContact O-CG 3.04Å; D41-E45 PolarHBondContact O-N 2.94Å; D42-E45 PolarHBondContact O-N 3.38Å; E45-G49 PolarHBondContact O-N 3.16Å; E45-H81 IonicContact OE2-CE1 3.87Å; E45-H81 IonicContact OE2-CG 2.95Å; E45-H81 IonicContact OE2-ND1 3.36Å; E45-H81 PolarHBondContact OE2-ND1 2.98Å; E45-A85 HydrophobicContact CB-CB 4.43Å |
| 46 | L | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -51.1 | 174.6 | 172.9 | 60.3 | 0 | 0 | 0 | 112.1 | D42 L43 L48 G49 E50 L82 A85 L91 Y95 E98 A99 L102 | D42-L46 PolarHBondContact O-N 2.86Å; D42-L46 VanDerWaalsContact O-N 3.15Å; L43-L46 HydrophobicContact CD1-CD2 4.45Å; L43-L46 PolarHBondContact O-N 2.84Å; L46-L48 PolarHBondContact O-N 3.32Å; L46-G49 PolarHBondContact O-N 3.46Å; L46-E50 PolarHBondContact O-N 2.99Å; L46-L82 HydrophobicContact CD1-CD2 3.77Å; L46-A85 HydrophobicContact CB-CB 4.4Å; L46-L91 HydrophobicContact CD2-CD1 4.42Å; L46-Y95 HydrophobicContact CD2-CD1 4.13Å; L46-Y95 HydrophobicContact CD2-CG 4.33Å; L46-E98 HydrophobicContact CD2-CB 4.37Å; L46-A99 HydrophobicContact CD1-CB 3.77Å; L46-L102 HydrophobicContact CD1-CD1 3.81Å |
| 47 | L | 89.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | -176.7 | -68.7 | 171 | 0 | 0 | 0 | 112.4 | I14 R18 I26 V30 L33 L43 G44 S51 | I14-L47 HydrophobicContact CD1-CD1 4.15Å; I14-L47 HydrophobicContact CG2-CD1 3.73Å; I14-L47 HydrophobicContact CG2-CD2 3.76Å; I14-L47 HydrophobicContact CG2-CG 4.41Å; R18-L47 HydrophobicContact CG-CD2 4.5Å; I26-L47 HydrophobicContact CG2-CB 3.97Å; V30-L47 HydrophobicContact CG2-CB 3.7Å; V30-L47 HydrophobicContact CG2-CD1 3.88Å; V30-L47 HydrophobicContact CG2-CG 4.47Å; L33-L47 HydrophobicContact CD1-CD1 4.42Å; L43-L47 HydrophobicContact CD1-CD1 4.34Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.47Å; G44-L47 PolarHBondContact O-N 3.15Å; L47-S51 VanDerWaalsContact O-CB 3.23Å; L47-S51 WeakPolarHBondContact O-CB 3.31Å; L47-S51 PolarHBondContact O-N 2.92Å |
| 48 | L | 89.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 174.1 | -72.5 | 171.5 | 0 | 0 | 0 | 111.7 | P27 V30 G44 L46 K52 | P27-L48 HydrophobicContact CB-CD2 4.04Å; P27-L48 HydrophobicContact CG-CD2 4.26Å; V30-L48 HydrophobicContact CG1-CD1 4.14Å; V30-L48 HydrophobicContact CG1-CG 4.13Å; G44-L48 WeakPolarHBondContact O-CB 3.43Å; G44-L48 VanDerWaalsContact O-CG 3.26Å; G44-L48 WeakPolarHBondContact O-CG 3.45Å; G44-L48 PolarHBondContact O-N 2.67Å; L46-L48 PolarHBondContact O-N 3.32Å; L48-K52 WeakPolarHBondContact O-CB 3.2Å; L48-K52 WeakPolarHBondContact O-CG 3.49Å; L48-K52 PolarHBondContact O-N 2.97Å |
| 49 | G | 89.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -51.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E45 L46 K52 L53 V78 | E45-G49 PolarHBondContact O-N 3.16Å; L46-G49 PolarHBondContact O-N 3.46Å; G49-K52 PolarHBondContact O-N 3.37Å; G49-L53 WeakPolarHBondContact O-CB 3.33Å; G49-L53 PolarHBondContact O-N 3.48Å; G49-V78 WeakPolarHBondContact O-CG1 3.43Å |
| 50 | E | 92.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 177.3 | -171.2 | -177.8 | -138.1 | 0 | 0 | 112.3 | R18 W23 L46 K52 L53 Q54 L102 | R18-E50 IonicContact CZ-OE1 2.75Å; R18-E50 IonicContact CZ-OE2 2.71Å; R18-E50 IonicContact NE-OE1 2.66Å; R18-E50 IonicContact NE-OE2 2.64Å; R18-E50 PolarHBondContact NE-OE2 3.21Å; R18-E50 IonicContact NH2-OE1 3.62Å; R18-E50 PolarHBondContact NH2-OE1 3.38Å; R18-E50 IonicContact NH2-OE2 3.04Å; R18-E50 PolarHBondContact NH2-OE2 3.35Å; W23-E50 HydrophobicContact CH2-CG 4.1Å; W23-E50 HydrophobicContact CZ3-CG 3.85Å; L46-E50 PolarHBondContact O-N 2.99Å; E50-K52 PolarHBondContact O-N 2.62Å; E50-L53 PolarHBondContact O-N 2.87Å; E50-Q54 HydrophobicContact CG-CG 4.24Å; E50-Q54 WeakPolarHBondContact O-CB 3.29Å; E50-Q54 VanDerWaalsContact O-CG 3.3Å; E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3Å; E50-L102 HydrophobicContact CB-CD1 3.66Å; E50-L102 HydrophobicContact CG-CD1 3.83Å; E50-L102 HydrophobicContact CG-CD2 4.04Å |
| 51 | S | 91.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 179.5 | 167.8 | 0 | 0 | 0 | 0 | 112 | W23 L47 Q54 T55 | W23-S51 PolarHBondContact O-OG 3.06Å; W23-S51 VanDerWaalsContact O-OG 3.08Å; L47-S51 VanDerWaalsContact O-CB 3.23Å; L47-S51 WeakPolarHBondContact O-CB 3.31Å; L47-S51 PolarHBondContact O-N 2.92Å; S51-Q54 PolarHBondContact O-N 3.33Å; S51-T55 WeakPolarHBondContact O-CB 3.43Å; S51-T55 PolarHBondContact O-N 3.49Å; S51-T55 PolarHBondContact O-OG1 3.46Å |
| 52 | K | 90.6 | Very high | 87.4 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 177.3 | -76.6 | -179.5 | 177.1 | -173.4 | 0 | 112 | L48 G49 E50 Y56 E77 V78 H81 | L48-K52 WeakPolarHBondContact O-CB 3.2Å; L48-K52 WeakPolarHBondContact O-CG 3.49Å; L48-K52 PolarHBondContact O-N 2.97Å; G49-K52 PolarHBondContact O-N 3.37Å; E50-K52 PolarHBondContact O-N 2.62Å; K52-Y56 VanDerWaalsContact O-CB 3.3Å; K52-Y56 WeakPolarHBondContact O-CB 3.49Å; K52-Y56 PolarHBondContact O-N 2.95Å; K52-E77 IonicContact NZ-OE2 3.96Å; K52-E77 PolarHBondContact NZ-OE2 2.98Å; K52-V78 HydrophobicContact CB-CG2 3.61Å; K52-H81 PolarHBondContact NZ-NE2 3.25Å |
| 53 | L | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 178.1 | -177.5 | 58 | 0 | 0 | 0 | 111.8 | G49 E50 Y56 L57 L75 V78 L102 K105 I106 I109 | G49-L53 WeakPolarHBondContact O-CB 3.33Å; G49-L53 PolarHBondContact O-N 3.48Å; E50-L53 PolarHBondContact O-N 2.87Å; L53-Y56 WeakPolarHBondContact O-CB 3.25Å; L53-Y56 PolarHBondContact O-N 3.26Å; L53-L57 HydrophobicContact CG-CD1 4.35Å; L53-L57 WeakPolarHBondContact O-CG 3.2Å; L53-L57 PolarHBondContact O-N 3.3Å; L53-L75 HydrophobicContact CD1-CD2 3.97Å; L53-V78 HydrophobicContact CB-CG1 4.03Å; L53-V78 HydrophobicContact CB-CG2 4.23Å; L53-L102 HydrophobicContact CD2-CD2 4.22Å; L53-K105 HydrophobicContact CD2-CD 4.2Å; L53-I106 HydrophobicContact CD1-CG1 3.9Å; L53-I106 HydrophobicContact CD2-CD1 4.33Å; L53-I106 HydrophobicContact CD2-CG1 3.86Å; L53-I109 HydrophobicContact CD1-CD1 3.97Å |
| 54 | Q | 89.3 | Confident | 86.9 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -37.7 | -177.7 | -65.4 | -70.9 | 3.1 | 0 | 0 | 111.7 | W23 E50 S51 L57 K58 | W23-Q54 HydrophobicContact CD2-CB 3.7Å; W23-Q54 HydrophobicContact CD2-CG 4.13Å; W23-Q54 VanDerWaalsContact CE2-CB 3.48Å; W23-Q54 HydrophobicContact CE3-CB 4.34Å; W23-Q54 HydrophobicContact CE3-CG 4.43Å; W23-Q54 HydrophobicContact CG-CB 3.91Å; W23-Q54 HydrophobicContact CH2-CG 3.96Å; W23-Q54 HydrophobicContact CZ2-CB 3.98Å; W23-Q54 HydrophobicContact CZ2-CG 3.62Å; W23-Q54 HydrophobicContact CZ3-CG 4.35Å; E50-Q54 HydrophobicContact CG-CG 4.24Å; E50-Q54 WeakPolarHBondContact O-CB 3.29Å; E50-Q54 VanDerWaalsContact O-CG 3.3Å; E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3Å; S51-Q54 PolarHBondContact O-N 3.33Å; Q54-L57 PolarHBondContact O-N 2.87Å; Q54-K58 WeakPolarHBondContact O-CB 3.1Å; Q54-K58 PolarHBondContact O-N 3.16Å |
| 55 | T | 88.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.6 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | S51 L57 K58 E59 | S51-T55 WeakPolarHBondContact O-CB 3.43Å; S51-T55 PolarHBondContact O-N 3.49Å; S51-T55 PolarHBondContact O-OG1 3.46Å; T55-L57 VanDerWaalsContact C-N 3.35Å; T55-L57 PolarHBondContact O-N 2.87Å; T55-K58 WeakPolarHBondContact O-CB 3.19Å; T55-K58 PolarHBondContact O-N 2.84Å; T55-E59 WeakPolarHBondContact O-CG 3.45Å; T55-E59 PolarHBondContact O-N 2.65Å |
| 56 | Y | 89.1 | Confident | 85.6 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.1 | 170.4 | -96.7 | 0 | 0 | 0 | 112.5 | K52 L53 K58 E59 N60 R72 T74 L75 | K52-Y56 VanDerWaalsContact O-CB 3.3Å; K52-Y56 WeakPolarHBondContact O-CB 3.49Å; K52-Y56 PolarHBondContact O-N 2.95Å; L53-Y56 WeakPolarHBondContact O-CB 3.25Å; L53-Y56 PolarHBondContact O-N 3.26Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-E59 PolarHBondContact O-N 2.95Å; Y56-N60 HydrophobicContact CE2-CB 4.3Å; Y56-N60 WeakPolarHBondContact O-CB 3.32Å; Y56-N60 PolarHBondContact O-N 3.21Å; Y56-N60 PolarHBondContact O-ND2 3.49Å; Y56-R72 WeakPolarHBondContact OH-CD 3.24Å; Y56-R72 PolarHBondContact OH-NE 2.93Å; Y56-R72 PolarHBondContact OH-NH1 3.27Å; Y56-T74 WeakPolarHBondContact CD2-OG1 3.47Å; Y56-L75 HydrophobicContact CD1-CD2 3.81Å; Y56-L75 HydrophobicContact CD1-CG 4.49Å; Y56-L75 HydrophobicContact CE1-CD1 4.2Å; Y56-L75 HydrophobicContact CE1-CD2 3.85Å; Y56-L75 HydrophobicContact CE1-CG 4.19Å; Y56-L75 HydrophobicContact CG-CD2 4.43Å |
| 57 | L | 87.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.5 | -34.3 | 177.6 | -72.9 | 174.3 | 0 | 0 | 0 | 112.7 | L53 Q54 T55 N60 I62 K105 I109 F226 | L53-L57 HydrophobicContact CG-CD1 4.35Å; L53-L57 WeakPolarHBondContact O-CG 3.2Å; L53-L57 PolarHBondContact O-N 3.3Å; Q54-L57 PolarHBondContact O-N 2.87Å; T55-L57 VanDerWaalsContact C-N 3.35Å; T55-L57 PolarHBondContact O-N 2.87Å; L57-N60 CarbonylContact O-C 3.4Å; L57-N60 VanDerWaalsContact O-C 3.26Å; L57-I62 HydrophobicContact CD2-CD1 3.7Å; L57-I62 HydrophobicContact CD2-CG1 4.11Å; L57-K105 HydrophobicContact CD1-CD 4.4Å; L57-I109 HydrophobicContact CD1-CD1 4.41Å; L57-I109 HydrophobicContact CD2-CD1 3.85Å; L57-I109 HydrophobicContact CG-CD1 4.47Å; L57-F226 HydrophobicContact CD1-CE2 4.3Å |
| 58 | K | 85.6 | Confident | 84.2 | Confident | 136 Ų | 136 | 58.8 Ų | 58.8 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 174.8 | -170.7 | 177.1 | -178.7 | 179.2 | 0 | 111.9 | Q54 T55 Y56 | Q54-K58 WeakPolarHBondContact O-CB 3.1Å; Q54-K58 PolarHBondContact O-N 3.16Å; T55-K58 WeakPolarHBondContact O-CB 3.19Å; T55-K58 PolarHBondContact O-N 2.84Å; Y56-K58 VanDerWaalsContact C-N 3.34Å |
| 59 | E | 86.6 | Confident | 83.4 | Confident | 142 Ų | 142 | 61 Ų | 61 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.3 | -27.4 | 176.7 | -68.6 | 175.8 | 175.9 | 0 | 0 | 113 | T55 Y56 | T55-E59 WeakPolarHBondContact O-CG 3.45Å; T55-E59 PolarHBondContact O-N 2.65Å; Y56-E59 PolarHBondContact O-N 2.95Å |
| 60 | N | 85.3 | Confident | 82.2 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -127.7 | 73.6 | -177.3 | -61.7 | -100.3 | 0 | 0 | 0 | 111.4 | Y56 L57 I62 R72 | Y56-N60 HydrophobicContact CE2-CB 4.3Å; Y56-N60 WeakPolarHBondContact O-CB 3.32Å; Y56-N60 PolarHBondContact O-N 3.21Å; Y56-N60 PolarHBondContact O-ND2 3.49Å; L57-N60 CarbonylContact O-C 3.4Å; L57-N60 VanDerWaalsContact O-C 3.26Å; N60-I62 PolarHBondContact O-N 3.27Å; N60-R72 PolarHBondContact OD1-NH1 2.96Å |
| 61 | P | 83.6 | Confident | 81.1 | Confident | 86 Ų | 86 | 68 Ų | 68 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 136.6 | -179.4 | -25.2 | 34.1 | 0 | 0 | 0 | 112.7 | ||
| 62 | I | 84.6 | Confident | 80.6 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 128.3 | 175.2 | -58.8 | 173.8 | 0 | 0 | 0 | 108.1 | L57 N60 I109 Y225 F226 | L57-I62 HydrophobicContact CD2-CD1 3.7Å; L57-I62 HydrophobicContact CD2-CG1 4.11Å; N60-I62 PolarHBondContact O-N 3.27Å; I62-I109 HydrophobicContact CD1-CG1 4.18Å; I62-Y225 HydrophobicContact CB-CD1 3.81Å; I62-Y225 HydrophobicContact CB-CD2 4.37Å; I62-Y225 HydrophobicContact CB-CE1 4.28Å; I62-Y225 HydrophobicContact CB-CG 3.86Å; I62-Y225 HydrophobicContact CD1-CD1 4.26Å; I62-Y225 HydrophobicContact CG2-CD1 3.72Å; I62-Y225 HydrophobicContact CG2-CD2 4.27Å; I62-Y225 HydrophobicContact CG2-CE1 3.65Å; I62-Y225 HydrophobicContact CG2-CE2 4.22Å; I62-Y225 HydrophobicContact CG2-CG 4.04Å; I62-Y225 WeakPolarHBondContact O-CD2 3.46Å; I62-F226 HydrophobicContact CD1-CE2 4.13Å; I62-F226 HydrophobicContact CD1-CZ 3.83Å |
| 63 | K | 79 | Confident | 80.1 | Confident | 161 Ų | 161 | 72.1 Ų | 72.1 | 70% | 0.7 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -101.4 | 144.6 | 173.7 | -65.6 | -173.4 | 179.1 | -175.5 | 0 | 109.2 | G65 S66 | K63-G65 PolarHBondContact O-N 3.37Å; K63-S66 WeakPolarHBondContact O-CB 3.45Å; K63-S66 PolarHBondContact O-N 3.29Å; K63-S66 VanDerWaalsContact O-N 3.12Å; K63-S66 PolarHBondContact O-OG 2.95Å |
| 64 | Q | 74.1 | Confident | 79.9 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 66% | 0.664 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 127.4 | 177.3 | -167.9 | 175.9 | 33.1 | 0 | 0 | 110.8 | Y225 | Q64-Y225 HydrophobicContact CB-CE2 4.38Š|
| 65 | G | 67.1 | Low | 79.7 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 84% | 0.835 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | K63 | K63-G65 PolarHBondContact O-N 3.37Š|
| 66 | S | 75.2 | Confident | 79.7 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 146.8 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | K63 | K63-S66 WeakPolarHBondContact O-CB 3.45Å; K63-S66 PolarHBondContact O-N 3.29Å; K63-S66 VanDerWaalsContact O-N 3.12Å; K63-S66 PolarHBondContact O-OG 2.95Å |
| 67 | S | 73.1 | Confident | 79.7 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 63% | 0.629 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 153.4 | 172.6 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | R69 | S67-R69 PolarHBondContact O-N 3.25Š|
| 68 | P | 77.3 | Confident | 79.8 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 139.9 | 173.4 | -27 | 35 | 0 | 0 | 0 | 111.6 | G70 | P68-G70 PolarHBondContact O-N 3.24Š|
| 69 | R | 71.7 | Confident | 80 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | trans | -78.2 | -0.2 | -169.9 | -69.8 | -64 | -167 | 174.6 | 4.1 | 114.3 | S67 I109 | S67-R69 PolarHBondContact O-N 3.25Å; R69-I109 HydrophobicContact CB-CG2 4.06Å; R69-I109 HydrophobicContact CG-CG2 4.38Å; R69-I109 PolarHBondContact N-O 3.19Å | ||
| 70 | G | 65.1 | Low | 80.2 | Confident | 33 Ų | 33 | 76 Ų | 76 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | trans | 61.9 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P68 R72 | P68-G70 PolarHBondContact O-N 3.24Å; G70-R72 PolarHBondContact O-N 3.44Å | ||
| 71 | T | 69 | Low | 80.4 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 71% | 0.712 | 43% | 0.427 | S | S | * | . | trans | -75.7 | 103.5 | 178.4 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 72 | R | 80.5 | Confident | 80.6 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | trans | -100.2 | 150.2 | 174.7 | -65.3 | -170.3 | -178.2 | -171 | -15.3 | 110.9 | Y56 N60 G70 T74 L75 V76 | Y56-R72 WeakPolarHBondContact OH-CD 3.24Å; Y56-R72 PolarHBondContact OH-NE 2.93Å; Y56-R72 PolarHBondContact OH-NH1 3.27Å; N60-R72 PolarHBondContact OD1-NH1 2.96Å; G70-R72 PolarHBondContact O-N 3.44Å; R72-T74 VanDerWaalsContact C-N 3.26Å; R72-T74 PolarHBondContact O-N 2.91Å; R72-L75 HydrophobicContact CB-CD1 4.32Å; R72-L75 HydrophobicContact CB-CG 4.36Å; R72-L75 PolarHBondContact O-N 3.33Å; R72-V76 WeakPolarHBondContact O-CG2 3.49Å; R72-V76 PolarHBondContact O-N 3.16Å | ||
| 73 | A | 81.3 | Confident | 80.9 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 65% | 0.653 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53.5 | -41.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V76 E77 | A73-V76 PolarHBondContact O-N 3.35Å; A73-E77 PolarHBondContact O-N 3.45Å; A73-E77 VanDerWaalsContact O-N 3.08Å |
| 74 | T | 84.1 | Confident | 81.2 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176 | 51 | 0 | 0 | 0 | 0 | 112.7 | Y56 R72 E77 V78 | Y56-T74 WeakPolarHBondContact CD2-OG1 3.47Å; R72-T74 VanDerWaalsContact C-N 3.26Å; R72-T74 PolarHBondContact O-N 2.91Å; T74-E77 PolarHBondContact O-N 2.8Å; T74-V78 WeakPolarHBondContact O-CG2 3.48Å; T74-V78 PolarHBondContact O-N 3.05Å |
| 75 | L | 86.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 177.9 | -64.8 | 177.4 | 0 | 0 | 0 | 111.9 | L53 Y56 R72 E77 V78 R79 I109 E110 | L53-L75 HydrophobicContact CD1-CD2 3.97Å; Y56-L75 HydrophobicContact CD1-CD2 3.81Å; Y56-L75 HydrophobicContact CD1-CG 4.49Å; Y56-L75 HydrophobicContact CE1-CD1 4.2Å; Y56-L75 HydrophobicContact CE1-CD2 3.85Å; Y56-L75 HydrophobicContact CE1-CG 4.19Å; Y56-L75 HydrophobicContact CG-CD2 4.43Å; R72-L75 HydrophobicContact CB-CD1 4.32Å; R72-L75 HydrophobicContact CB-CG 4.36Å; R72-L75 PolarHBondContact O-N 3.33Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-V78 PolarHBondContact O-N 3.06Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 2.89Å; L75-I109 HydrophobicContact CD1-CG2 3.85Å; L75-E110 WeakPolarHBondContact CB-OE1 3.48Å; L75-E110 HydrophobicContact CD1-CG 4.12Å |
| 76 | V | 88.5 | Confident | 82.6 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 47% | 0.473 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | R72 A73 R79 K80 | R72-V76 WeakPolarHBondContact O-CG2 3.49Å; R72-V76 PolarHBondContact O-N 3.16Å; A73-V76 PolarHBondContact O-N 3.35Å; V76-R79 PolarHBondContact O-N 3.03Å; V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.81Å |
| 77 | E | 88 | Confident | 83 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 173.9 | -73.6 | -175.8 | -167.3 | 0 | 0 | 112.4 | K52 A73 T74 L75 R79 K80 H81 | K52-E77 IonicContact NZ-OE2 3.96Å; K52-E77 PolarHBondContact NZ-OE2 2.98Å; A73-E77 PolarHBondContact O-N 3.45Å; A73-E77 VanDerWaalsContact O-N 3.08Å; T74-E77 PolarHBondContact O-N 2.8Å; L75-E77 VanDerWaalsContact C-N 3.35Å; E77-R79 VanDerWaalsContact C-N 3.34Å; E77-K80 WeakPolarHBondContact O-CB 3.18Å; E77-K80 PolarHBondContact O-N 2.95Å; E77-H81 PolarHBondContact O-CD2 3.48Å; E77-H81 PolarHBondContact O-N 2.79Å |
| 78 | V | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.6 | 178 | 0 | 0 | 0 | 0 | 110.3 | G49 K52 L53 T74 L75 K80 H81 L82 I106 | G49-V78 WeakPolarHBondContact O-CG1 3.43Å; K52-V78 HydrophobicContact CB-CG2 3.61Å; L53-V78 HydrophobicContact CB-CG1 4.03Å; L53-V78 HydrophobicContact CB-CG2 4.23Å; T74-V78 WeakPolarHBondContact O-CG2 3.48Å; T74-V78 PolarHBondContact O-N 3.05Å; L75-V78 PolarHBondContact O-N 3.06Å; V78-K80 VanDerWaalsContact C-N 3.28Å; V78-K80 PolarHBondContact O-N 3.24Å; V78-H81 PolarHBondContact O-N 3.5Å; V78-H81 VanDerWaalsContact O-N 3.15Å; V78-L82 HydrophobicContact CG1-CD1 3.97Å; V78-L82 HydrophobicContact CG1-CG 4.22Å; V78-L82 WeakPolarHBondContact O-CG 3.38Å; V78-L82 PolarHBondContact O-N 2.85Å; V78-I106 HydrophobicContact CB-CD1 4.05Å; V78-I106 HydrophobicContact CG1-CD1 3.25Å; V78-I106 HydrophobicContact CG1-CG1 4.28Å |
| 79 | R | 90 | Very high | 83 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 178.2 | -174.8 | 177.5 | -79.5 | -88.3 | 17 | 110.6 | L75 V76 E77 H81 L82 T83 M103 E110 E112 | L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 2.89Å; V76-R79 PolarHBondContact O-N 3.03Å; E77-R79 VanDerWaalsContact C-N 3.34Å; R79-H81 PolarHBondContact O-N 2.88Å; R79-L82 PolarHBondContact O-N 2.94Å; R79-T83 WeakPolarHBondContact O-CB 3.28Å; R79-T83 PolarHBondContact O-N 3.48Å; R79-T83 PolarHBondContact O-OG1 3.31Å; R79-M103 HydrophobicContact CG-CE 4.43Å; R79-M103 HydrophobicContact CG-SD 4.21Å; R79-E110 IonicContact CZ-OE2 2.71Å; R79-E110 VanDerWaalsContact CZ-OE2 3.26Å; R79-E110 IonicContact NE-OE2 3.65Å; R79-E110 PolarHBondContact NE-OE2 3.04Å; R79-E110 VanDerWaalsContact NE-OE2 3.12Å; R79-E110 IonicContact NH2-OE2 3.55Å; R79-E110 PolarHBondContact NH2-OE2 3.21Å; R79-E112 IonicContact NH2-OE1 3.58Å; R79-E112 IonicContact NH2-OE2 2.71Å; R79-E112 PolarHBondContact NH2-OE2 3.42Å |
| 80 | K | 90.2 | Very high | 83.3 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.8 | -47 | 175.3 | -176 | -179.2 | 176.8 | -177 | 0 | 112.6 | V76 E77 V78 A84 | V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.81Å; E77-K80 WeakPolarHBondContact O-CB 3.18Å; E77-K80 PolarHBondContact O-N 2.95Å; V78-K80 VanDerWaalsContact C-N 3.28Å; V78-K80 PolarHBondContact O-N 3.24Å; K80-A84 WeakPolarHBondContact O-CB 3.17Å; K80-A84 PolarHBondContact O-N 3.08Å |
| 81 | H | 89.5 | Confident | 84.1 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 15% | 0.148 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.5 | -73.3 | -60.5 | 0 | 0 | 0 | 111.6 | E45 K52 E77 V78 R79 A84 A85 | E45-H81 IonicContact OE2-CE1 3.87Å; E45-H81 IonicContact OE2-CG 2.95Å; E45-H81 IonicContact OE2-ND1 3.36Å; E45-H81 PolarHBondContact OE2-ND1 2.98Å; K52-H81 PolarHBondContact NZ-NE2 3.25Å; E77-H81 PolarHBondContact O-CD2 3.48Å; E77-H81 PolarHBondContact O-N 2.79Å; V78-H81 PolarHBondContact O-N 3.5Å; V78-H81 VanDerWaalsContact O-N 3.15Å; R79-H81 PolarHBondContact O-N 2.88Å; H81-A84 PolarHBondContact O-N 2.88Å; H81-A85 PolarHBondContact O-N 3.47Å; H81-A85 VanDerWaalsContact O-N 3.11Å |
| 82 | L | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.7 | -37.5 | -179.5 | -64.4 | -178.5 | 0 | 0 | 0 | 113.2 | L46 V78 R79 A84 A85 L86 L102 M103 I106 | L46-L82 HydrophobicContact CD1-CD2 3.77Å; V78-L82 HydrophobicContact CG1-CD1 3.97Å; V78-L82 HydrophobicContact CG1-CG 4.22Å; V78-L82 WeakPolarHBondContact O-CG 3.38Å; V78-L82 PolarHBondContact O-N 2.85Å; R79-L82 PolarHBondContact O-N 2.94Å; L82-A84 VanDerWaalsContact C-N 3.35Å; L82-A85 PolarHBondContact O-N 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 2.86Å; L82-L102 HydrophobicContact CD1-CB 3.69Å; L82-L102 HydrophobicContact CD2-CB 4.29Å; L82-L102 HydrophobicContact CD2-CD1 4.25Å; L82-M103 HydrophobicContact CB-CE 3.5Å; L82-M103 VanDerWaalsContact CB-CE 3.5Å; L82-I106 HydrophobicContact CD1-CD1 3.45Å; L82-I106 VanDerWaalsContact CD1-CD1 3.45Å |
| 83 | T | 89.6 | Confident | 85.1 | Confident | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 173.7 | -59 | 0 | 0 | 0 | 0 | 110.7 | R79 A85 L86 D87 M103 | R79-T83 WeakPolarHBondContact O-CB 3.28Å; R79-T83 PolarHBondContact O-N 3.48Å; R79-T83 PolarHBondContact O-OG1 3.31Å; T83-A85 VanDerWaalsContact C-N 3.3Å; T83-A85 PolarHBondContact O-N 3.48Å; T83-L86 PolarHBondContact O-N 3.15Å; T83-D87 VanDerWaalsContact CG2-OD2 3.31Å; T83-D87 WeakPolarHBondContact CG2-OD2 3.31Å; T83-D87 WeakPolarHBondContact O-CB 3.35Å; T83-D87 VanDerWaalsContact O-CG 3.3Å; T83-D87 PolarHBondContact O-N 3.24Å; T83-M103 WeakPolarHBondContact OG1-CE 3.09Å |
| 84 | A | 85.7 | Confident | 85.2 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K80 H81 L82 R88 | K80-A84 WeakPolarHBondContact O-CB 3.17Å; K80-A84 PolarHBondContact O-N 3.08Å; H81-A84 PolarHBondContact O-N 2.88Å; L82-A84 VanDerWaalsContact C-N 3.35Å; A84-R88 WeakPolarHBondContact O-CD 3.42Å; A84-R88 WeakPolarHBondContact O-CG 3.19Å |
| 85 | A | 84.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E45 L46 H81 L82 T83 L91 | E45-A85 HydrophobicContact CB-CB 4.43Å; L46-A85 HydrophobicContact CB-CB 4.4Å; H81-A85 PolarHBondContact O-N 3.47Å; H81-A85 VanDerWaalsContact O-N 3.11Å; L82-A85 PolarHBondContact O-N 3.25Å; T83-A85 VanDerWaalsContact C-N 3.3Å; T83-A85 PolarHBondContact O-N 3.48Å; A85-L91 HydrophobicContact CB-CD1 4.04Å |
| 86 | L | 85.4 | Confident | 85.4 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79 | -41.4 | -179 | -74.6 | 170 | 0 | 0 | 0 | 113.4 | L82 T83 R88 R89 L96 A99 M103 | L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 2.86Å; T83-L86 PolarHBondContact O-N 3.15Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-R89 WeakPolarHBondContact O-CG 3.17Å; L86-R89 PolarHBondContact O-N 2.68Å; L86-L96 HydrophobicContact CD2-CD2 4.48Å; L86-A99 HydrophobicContact CD2-CB 3.69Å; L86-A99 HydrophobicContact CG-CB 3.91Å; L86-M103 HydrophobicContact CD1-CB 4.34Å; L86-M103 HydrophobicContact CD1-CE 4.08Å |
| 87 | D | 83 | Confident | 85.4 | Confident | 124 Ų | 124 | 67 Ų | 67 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.3 | -32.8 | -174.2 | -74 | -13.7 | 0 | 0 | 0 | 112.6 | T83 | T83-D87 VanDerWaalsContact CG2-OD2 3.31Å; T83-D87 WeakPolarHBondContact CG2-OD2 3.31Å; T83-D87 WeakPolarHBondContact O-CB 3.35Å; T83-D87 VanDerWaalsContact O-CG 3.3Å; T83-D87 PolarHBondContact O-N 3.24Å |
| 88 | R | 76.3 | Confident | 85.6 | Confident | 131 Ų | 131 | 62.6 Ų | 62.6 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.7 | -175.7 | -65.6 | 173.6 | -177.8 | 174.6 | 4.1 | 113.7 | D42 A84 L86 N90 | D42-R88 WeakPolarHBondContact OD1-CD 3.49Å; D42-R88 IonicContact OD1-CZ 3.9Å; D42-R88 IonicContact OD1-NE 2.85Å; D42-R88 IonicContact OD1-NH1 3.72Å; D42-R88 PolarHBondContact OD1-NH1 2.93Å; D42-R88 WeakPolarHBondContact OD2-CB 3.49Å; A84-R88 WeakPolarHBondContact O-CD 3.42Å; A84-R88 WeakPolarHBondContact O-CG 3.19Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.41Å; R88-N90 VanDerWaalsContact O-CG 3.3Å; R88-N90 PolarHBondContact O-N 3.2Å; R88-N90 PolarHBondContact O-ND2 2.94Å; R88-N90 PolarHBondContact O-OD1 3.17Å |
| 89 | R | 74.1 | Confident | 85.6 | Confident | 202 Ų | 202 | 62.6 Ų | 62.6 | 76% | 0.762 | 30% | 0.3 | S | S | * | . | trans | 47.6 | 24.7 | 178.1 | -63.3 | -168.1 | 179 | -164.1 | 0.1 | 116.6 | L86 L91 | L86-R89 WeakPolarHBondContact O-CG 3.17Å; L86-R89 PolarHBondContact O-N 2.68Å; R89-L91 VanDerWaalsContact C-N 3.3Å | ||
| 90 | N | 79.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -87.4 | 0.5 | 178.9 | -55.3 | -52 | 0 | 0 | 0 | 113.8 | D42 R88 | D42-N90 WeakPolarHBondContact OD2-CB 3.39Å; D42-N90 PolarHBondContact OD2-ND2 3.42Å; R88-N90 VanDerWaalsContact O-CG 3.3Å; R88-N90 PolarHBondContact O-N 3.2Å; R88-N90 PolarHBondContact O-ND2 2.94Å; R88-N90 PolarHBondContact O-OD1 3.17Å | ||
| 91 | L | 82 | Confident | 85.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -83.2 | 152.9 | 179.8 | -74.1 | 176.1 | 0 | 0 | 0 | 111.7 | D42 L43 L46 A85 R89 L96 | D42-L91 HydrophobicContact CB-CD2 4.13Å; D42-L91 HydrophobicContact CB-CG 4.04Å; L43-L91 HydrophobicContact CB-CD2 3.95Å; L43-L91 HydrophobicContact CD1-CD2 4.45Å; L46-L91 HydrophobicContact CD2-CD1 4.42Å; A85-L91 HydrophobicContact CB-CD1 4.04Å; R89-L91 VanDerWaalsContact C-N 3.3Å; L91-L96 HydrophobicContact CB-CD2 3.82Å; L91-L96 HydrophobicContact CB-CG 3.8Å; L91-L96 HydrophobicContact CD1-CD2 4.32Å |
| 92 | K | 84.1 | Confident | 86 | Confident | 136 Ų | 136 | 52 Ų | 52 | 59% | 0.591 | 26% | 0.258 | S | S | * | . | trans | -58.8 | 151.3 | 167.8 | -64.5 | 179.7 | -177 | 169.3 | 0 | 109.5 | D94 Y95 L96 | K92-D94 PolarHBondContact O-N 2.93Å; K92-D94 VanDerWaalsContact O-N 3.1Å; K92-Y95 HydrophobicContact CB-CD2 3.94Å; K92-Y95 HydrophobicContact CB-CE2 4.48Å; K92-Y95 HydrophobicContact CD-CD2 4.41Å; K92-Y95 HydrophobicContact CD-CE2 4.14Å; K92-Y95 HydrophobicContact CG-CD2 4.37Å; K92-Y95 PolarHBondContact O-N 3.17Å; K92-L96 PolarHBondContact O-N 3.4Å | ||
| 93 | A | 84.8 | Confident | 86.1 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -50.8 | -39.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L96 Q97 | A93-L96 PolarHBondContact O-N 3.42Å; A93-Q97 WeakPolarHBondContact O-CG 3.37Å; A93-Q97 PolarHBondContact O-N 3.39Å |
| 94 | D | 84.2 | Confident | 86.3 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 174.5 | -72.5 | -42.8 | 0 | 0 | 0 | 113.7 | K92 Q97 E98 R137 | K92-D94 PolarHBondContact O-N 2.93Å; K92-D94 VanDerWaalsContact O-N 3.1Å; D94-Q97 WeakPolarHBondContact O-CB 3.38Å; D94-Q97 PolarHBondContact O-N 3.28Å; D94-E98 WeakPolarHBondContact O-CG 3.42Å; D94-E98 PolarHBondContact O-N 2.94Å; D94-R137 VanDerWaalsContact CB-NH1 3.27Å; D94-R137 IonicContact OD1-CZ 3.06Å; D94-R137 VanDerWaalsContact OD1-CZ 3.28Å; D94-R137 IonicContact OD1-NH1 3.68Å; D94-R137 PolarHBondContact OD1-NH1 3.45Å; D94-R137 IonicContact OD1-NH2 2.91Å; D94-R137 PolarHBondContact OD1-NH2 2.96Å; D94-R137 IonicContact OD2-NH1 3.64Å |
| 95 | Y | 86.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 49 Ų | 49 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.8 | -28.7 | 179.9 | -63.9 | -52.7 | 0 | 0 | 0 | 112.4 | L43 L46 K92 E98 A99 | L43-Y95 HydrophobicContact CD1-CD1 3.99Å; L43-Y95 HydrophobicContact CD1-CD2 4.06Å; L43-Y95 HydrophobicContact CD1-CE1 4.04Å; L43-Y95 HydrophobicContact CD1-CE2 4.09Å; L43-Y95 HydrophobicContact CD1-CG 4.02Å; L46-Y95 HydrophobicContact CD2-CD1 4.13Å; L46-Y95 HydrophobicContact CD2-CG 4.33Å; K92-Y95 HydrophobicContact CB-CD2 3.94Å; K92-Y95 HydrophobicContact CB-CE2 4.48Å; K92-Y95 HydrophobicContact CD-CD2 4.41Å; K92-Y95 HydrophobicContact CD-CE2 4.14Å; K92-Y95 HydrophobicContact CG-CD2 4.37Å; K92-Y95 PolarHBondContact O-N 3.17Å; Y95-E98 PolarHBondContact O-N 3.36Å; Y95-A99 WeakPolarHBondContact O-CB 3.49Å; Y95-A99 PolarHBondContact O-N 2.91Å |
| 96 | L | 87.4 | Confident | 86.9 | Confident | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 170.4 | -70.7 | 174.1 | 0 | 0 | 0 | 111.5 | L86 L91 K92 A93 A99 S100 | L86-L96 HydrophobicContact CD2-CD2 4.48Å; L91-L96 HydrophobicContact CB-CD2 3.82Å; L91-L96 HydrophobicContact CB-CG 3.8Å; L91-L96 HydrophobicContact CD1-CD2 4.32Å; K92-L96 PolarHBondContact O-N 3.4Å; A93-L96 PolarHBondContact O-N 3.42Å; L96-A99 PolarHBondContact O-N 3.07Å; L96-S100 PolarHBondContact O-N 2.93Å; L96-S100 VanDerWaalsContact O-N 3.07Å; L96-S100 PolarHBondContact O-OG 3.03Å |
| 97 | Q | 89.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 171.9 | -70.3 | 172.4 | -20.3 | 0 | 0 | 110.5 | A93 D94 A99 S100 L101 V123 | A93-Q97 WeakPolarHBondContact O-CG 3.37Å; A93-Q97 PolarHBondContact O-N 3.39Å; D94-Q97 WeakPolarHBondContact O-CB 3.38Å; D94-Q97 PolarHBondContact O-N 3.28Å; Q97-A99 VanDerWaalsContact C-N 3.34Å; Q97-A99 PolarHBondContact O-N 2.91Å; Q97-S100 PolarHBondContact O-N 3.41Å; Q97-L101 WeakPolarHBondContact O-CG 3.39Å; Q97-L101 PolarHBondContact O-N 3.19Å; Q97-V123 HydrophobicContact CB-CG1 4.2Å; Q97-V123 HydrophobicContact CG-CG1 4.17Å |
| 98 | E | 91.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.7 | -46.2 | 176.7 | -72.8 | 179.1 | -162.9 | 0 | 0 | 112.2 | R18 L46 D94 Y95 S100 L101 L102 Y136 M140 | R18-E98 IonicContact CZ-OE2 2.83Å; R18-E98 VanDerWaalsContact CZ-OE2 3.3Å; R18-E98 IonicContact NH1-OE1 2.6Å; R18-E98 IonicContact NH1-OE2 2.62Å; R18-E98 PolarHBondContact NH1-OE2 3.21Å; R18-E98 IonicContact NH2-OE2 2.84Å; R18-E98 PolarHBondContact NH2-OE2 3.08Å; L46-E98 HydrophobicContact CD2-CB 4.37Å; D94-E98 WeakPolarHBondContact O-CG 3.42Å; D94-E98 PolarHBondContact O-N 2.94Å; Y95-E98 PolarHBondContact O-N 3.36Å; E98-S100 PolarHBondContact O-N 3.22Å; E98-L101 PolarHBondContact O-N 3.42Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 2.91Å; E98-Y136 WeakPolarHBondContact OE1-CE2 3.47Å; E98-Y136 PolarHBondContact OE1-OH 2.88Å; E98-M140 HydrophobicContact CB-CE 3.78Å; E98-M140 HydrophobicContact CG-CE 3.87Å; E98-M140 HydrophobicContact CG-SD 4.07Å |
| 99 | A | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L46 L86 Y95 L96 Q97 L102 M103 | L46-A99 HydrophobicContact CD1-CB 3.77Å; L86-A99 HydrophobicContact CD2-CB 3.69Å; L86-A99 HydrophobicContact CG-CB 3.91Å; Y95-A99 WeakPolarHBondContact O-CB 3.49Å; Y95-A99 PolarHBondContact O-N 2.91Å; L96-A99 PolarHBondContact O-N 3.07Å; Q97-A99 VanDerWaalsContact C-N 3.34Å; Q97-A99 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.33Å; A99-M103 WeakPolarHBondContact O-CB 3.41Å; A99-M103 PolarHBondContact O-N 3.33Å |
| 100 | S | 91.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 12% | 0.119 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.3 | -69 | 0 | 0 | 0 | 0 | 112.9 | L96 Q97 E98 M103 A104 V123 | L96-S100 PolarHBondContact O-N 2.93Å; L96-S100 VanDerWaalsContact O-N 3.07Å; L96-S100 PolarHBondContact O-OG 3.03Å; Q97-S100 PolarHBondContact O-N 3.41Å; E98-S100 PolarHBondContact O-N 3.22Å; S100-M103 PolarHBondContact O-N 3.01Å; S100-A104 WeakPolarHBondContact O-CB 3.47Å; S100-A104 PolarHBondContact O-N 3.48Å; S100-V123 VanDerWaalsContact CB-CG2 3.44Å |
| 101 | L | 93.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.3 | -65.9 | -179.8 | 0 | 0 | 0 | 111.8 | Q97 E98 A104 K105 Y120 V123 L125 L128 M140 A144 | Q97-L101 WeakPolarHBondContact O-CG 3.39Å; Q97-L101 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.42Å; L101-A104 PolarHBondContact O-N 3.1Å; L101-K105 PolarHBondContact O-N 3.12Å; L101-Y120 HydrophobicContact CD2-CD1 3.8Å; L101-Y120 HydrophobicContact CD2-CE1 3.79Å; L101-V123 HydrophobicContact CD2-CB 4.4Å; L101-V123 HydrophobicContact CD2-CG1 4Å; L101-V123 HydrophobicContact CD2-CG2 4.44Å; L101-V123 HydrophobicContact CG-CG1 4.4Å; L101-L125 HydrophobicContact CD2-CD2 3.53Å; L101-L128 HydrophobicContact CD1-CD1 4.31Å; L101-M140 HydrophobicContact CB-CE 4.32Å; L101-M140 HydrophobicContact CD1-CE 4.49Å; L101-A144 HydrophobicContact CD1-CB 4.46Å; L101-A144 HydrophobicContact CD2-CB 3.86Å |
| 102 | L | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 176 | -67.4 | 171.1 | 0 | 0 | 0 | 111.6 | L46 E50 L53 L82 E98 A99 K105 I106 M140 | L46-L102 HydrophobicContact CD1-CD1 3.81Å; E50-L102 HydrophobicContact CB-CD1 3.66Å; E50-L102 HydrophobicContact CG-CD1 3.83Å; E50-L102 HydrophobicContact CG-CD2 4.04Å; L53-L102 HydrophobicContact CD2-CD2 4.22Å; L82-L102 HydrophobicContact CD1-CB 3.69Å; L82-L102 HydrophobicContact CD2-CB 4.29Å; L82-L102 HydrophobicContact CD2-CD1 4.25Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.33Å; L102-K105 WeakPolarHBondContact O-CB 3.34Å; L102-K105 PolarHBondContact O-N 3.37Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.85Å; L102-M140 HydrophobicContact CD1-CE 4.32Å; L102-M140 HydrophobicContact CD2-CE 4.15Å; L102-M140 HydrophobicContact CG-CE 3.9Å |
| 103 | M | 91.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.3 | -170.6 | 62.4 | 74.9 | 0 | 0 | 111.1 | R79 L82 T83 L86 A99 S100 K105 I106 C107 | R79-M103 HydrophobicContact CG-CE 4.43Å; R79-M103 HydrophobicContact CG-SD 4.21Å; L82-M103 HydrophobicContact CB-CE 3.5Å; L82-M103 VanDerWaalsContact CB-CE 3.5Å; T83-M103 WeakPolarHBondContact OG1-CE 3.09Å; L86-M103 HydrophobicContact CD1-CB 4.34Å; L86-M103 HydrophobicContact CD1-CE 4.08Å; A99-M103 WeakPolarHBondContact O-CB 3.41Å; A99-M103 PolarHBondContact O-N 3.33Å; S100-M103 PolarHBondContact O-N 3.01Å; M103-K105 VanDerWaalsContact C-N 3.29Å; M103-K105 PolarHBondContact O-N 3.47Å; M103-I106 PolarHBondContact O-N 3.43Å; M103-I106 VanDerWaalsContact O-N 3.15Å; M103-C107 PolarHBondContact O-N 3.32Å; M103-C107 PolarHBondContact O-SG 2.89Å |
| 104 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S100 L101 C107 Y108 A116 H119 Y120 | S100-A104 WeakPolarHBondContact O-CB 3.47Å; S100-A104 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.1Å; A104-C107 PolarHBondContact O-N 3.28Å; A104-Y108 PolarHBondContact O-N 3.09Å; A104-A116 HydrophobicContact CB-CB 4.43Å; A104-A116 WeakPolarHBondContact O-CB 3.48Å; A104-H119 HydrophobicContact CB-CB 3.75Å; A104-Y120 HydrophobicContact CB-CD1 4Å; A104-Y120 HydrophobicContact CB-CD2 4.22Å; A104-Y120 HydrophobicContact CB-CE1 3.51Å; A104-Y120 HydrophobicContact CB-CE2 3.77Å; A104-Y120 HydrophobicContact CB-CG 4.32Å |
| 105 | K | 91.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 175.6 | -170.5 | -177.4 | -69.3 | -179.3 | 0 | 112.2 | L53 L57 L101 L102 M103 Y108 I109 E143 F226 | L53-K105 HydrophobicContact CD2-CD 4.2Å; L57-K105 HydrophobicContact CD1-CD 4.4Å; L101-K105 PolarHBondContact O-N 3.12Å; L102-K105 WeakPolarHBondContact O-CB 3.34Å; L102-K105 PolarHBondContact O-N 3.37Å; M103-K105 VanDerWaalsContact C-N 3.29Å; M103-K105 PolarHBondContact O-N 3.47Å; K105-Y108 PolarHBondContact O-N 2.74Å; K105-I109 HydrophobicContact CG-CD1 4.29Å; K105-I109 WeakPolarHBondContact O-CD1 3.38Å; K105-I109 VanDerWaalsContact O-CG1 3.29Å; K105-I109 WeakPolarHBondContact O-CG1 3.49Å; K105-I109 PolarHBondContact O-N 3.31Å; K105-I109 VanDerWaalsContact O-N 3.14Å; K105-E143 VanDerWaalsContact NZ-CD 3.34Å; K105-E143 IonicContact NZ-OE1 3.62Å; K105-E143 IonicContact NZ-OE2 3.56Å; K105-E143 PolarHBondContact NZ-OE2 3.11Å; K105-F226 HydrophobicContact CD-CE2 4.1Å; K105-F226 HydrophobicContact CG-CE2 4.21Å; K105-F226 HydrophobicContact CG-CZ 4.21Å |
| 106 | I | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 175.2 | -65.7 | 165.8 | 0 | 0 | 0 | 110.9 | L53 V78 L82 L102 M103 Y108 I109 E110 | L53-I106 HydrophobicContact CD1-CG1 3.9Å; L53-I106 HydrophobicContact CD2-CD1 4.33Å; L53-I106 HydrophobicContact CD2-CG1 3.86Å; V78-I106 HydrophobicContact CB-CD1 4.05Å; V78-I106 HydrophobicContact CG1-CD1 3.25Å; V78-I106 HydrophobicContact CG1-CG1 4.28Å; L82-I106 HydrophobicContact CD1-CD1 3.45Å; L82-I106 VanDerWaalsContact CD1-CD1 3.45Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.85Å; M103-I106 PolarHBondContact O-N 3.43Å; M103-I106 VanDerWaalsContact O-N 3.15Å; I106-Y108 PolarHBondContact O-N 3.02Å; I106-I109 PolarHBondContact O-N 3.17Å; I106-E110 HydrophobicContact CG2-CG 4.19Å; I106-E110 PolarHBondContact O-N 2.97Å |
| 107 | C | 90.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.6 | -42 | 176.3 | -68.5 | 0 | 0 | 0 | 0 | 111 | M103 A104 E110 G111 E112 N115 A116 | M103-C107 PolarHBondContact O-N 3.32Å; M103-C107 PolarHBondContact O-SG 2.89Å; A104-C107 PolarHBondContact O-N 3.28Å; C107-E110 PolarHBondContact O-N 3.49Å; C107-G111 PolarHBondContact O-N 3.44Å; C107-E112 HydrophobicContact CB-CB 4.1Å; C107-E112 WeakPolarHBondContact O-CA 3.11Å; C107-E112 PolarHBondContact O-N 3.47Å; C107-N115 HydrophobicContact CB-CB 4.37Å; C107-A116 HydrophobicContact CB-CB 3.82Å |
| 108 | Y | 90.4 | Very high | 90.6 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 172.6 | 172.4 | -99.2 | 0 | 0 | 0 | 113.1 | A104 K105 I106 E110 G111 Y113 T147 L150 C151 F226 | A104-Y108 PolarHBondContact O-N 3.09Å; K105-Y108 PolarHBondContact O-N 2.74Å; I106-Y108 PolarHBondContact O-N 3.02Å; Y108-E110 VanDerWaalsContact C-N 3.29Å; Y108-E110 PolarHBondContact O-N 3.47Å; Y108-G111 PolarHBondContact O-N 3.01Å; Y108-G111 VanDerWaalsContact O-N 3.15Å; Y108-Y113 AromaticContact CD2-CD1 3.81Å; Y108-Y113 HydrophobicContact CD2-CD1 3.81Å; Y108-Y113 AromaticContact CD2-CE1 3.76Å; Y108-Y113 HydrophobicContact CD2-CE1 3.76Å; Y108-Y113 HydrophobicContact CE2-CD1 4.29Å; Y108-Y113 AromaticContact CE2-CE1 3.9Å; Y108-Y113 HydrophobicContact CE2-CE1 3.9Å; Y108-T147 VanDerWaalsContact CB-CG2 3.49Å; Y108-T147 HydrophobicContact CD1-CG2 4.08Å; Y108-T147 HydrophobicContact CD2-CG2 4.12Å; Y108-T147 HydrophobicContact CG-CG2 3.62Å; Y108-L150 HydrophobicContact CD2-CB 4.37Å; Y108-L150 HydrophobicContact CE1-CD1 4.36Å; Y108-L150 HydrophobicContact CE2-CB 3.61Å; Y108-L150 HydrophobicContact CE2-CD1 4.38Å; Y108-C151 VanDerWaalsContact CD2-SG 3.59Å; Y108-F226 AromaticContact CD1-CE1 3.73Å; Y108-F226 HydrophobicContact CD1-CE1 3.73Å; Y108-F226 AromaticContact CD1-CZ 3.93Å; Y108-F226 HydrophobicContact CD1-CZ 3.93Å; Y108-F226 AromaticContact CE1-CE1 3.59Å; Y108-F226 HydrophobicContact CE1-CE1 3.59Å; Y108-F226 HydrophobicContact CE1-CZ 4.01Å |
| 109 | I | 88.5 | Confident | 90.5 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | -179 | -66.4 | 161.6 | 0 | 0 | 0 | 111.6 | L53 L57 I62 R69 L75 K105 I106 G111 | L53-I109 HydrophobicContact CD1-CD1 3.97Å; L57-I109 HydrophobicContact CD1-CD1 4.41Å; L57-I109 HydrophobicContact CD2-CD1 3.85Å; L57-I109 HydrophobicContact CG-CD1 4.47Å; I62-I109 HydrophobicContact CD1-CG1 4.18Å; R69-I109 HydrophobicContact CB-CG2 4.06Å; R69-I109 HydrophobicContact CG-CG2 4.38Å; R69-I109 PolarHBondContact N-O 3.19Å; L75-I109 HydrophobicContact CD1-CG2 3.85Å; K105-I109 HydrophobicContact CG-CD1 4.29Å; K105-I109 WeakPolarHBondContact O-CD1 3.38Å; K105-I109 VanDerWaalsContact O-CG1 3.29Å; K105-I109 WeakPolarHBondContact O-CG1 3.49Å; K105-I109 PolarHBondContact O-N 3.31Å; K105-I109 VanDerWaalsContact O-N 3.14Å; I106-I109 PolarHBondContact O-N 3.17Å; I109-G111 VanDerWaalsContact C-N 3.32Å |
| 110 | E | 88.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -80.4 | -12.9 | 178.9 | -66.7 | -174.9 | 155.6 | 0 | 0 | 113 | L75 R79 I106 C107 Y108 | L75-E110 WeakPolarHBondContact CB-OE1 3.48Å; L75-E110 HydrophobicContact CD1-CG 4.12Å; R79-E110 IonicContact CZ-OE2 2.71Å; R79-E110 VanDerWaalsContact CZ-OE2 3.26Å; R79-E110 IonicContact NE-OE2 3.65Å; R79-E110 PolarHBondContact NE-OE2 3.04Å; R79-E110 VanDerWaalsContact NE-OE2 3.12Å; R79-E110 IonicContact NH2-OE2 3.55Å; R79-E110 PolarHBondContact NH2-OE2 3.21Å; I106-E110 HydrophobicContact CG2-CG 4.19Å; I106-E110 PolarHBondContact O-N 2.97Å; C107-E110 PolarHBondContact O-N 3.49Å; Y108-E110 VanDerWaalsContact C-N 3.29Å; Y108-E110 PolarHBondContact O-N 3.47Å |
| 111 | G | 85.9 | Confident | 90.4 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 25% | 0.247 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 8.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C107 Y108 I109 Y113 | C107-G111 PolarHBondContact O-N 3.44Å; Y108-G111 PolarHBondContact O-N 3.01Å; Y108-G111 VanDerWaalsContact O-N 3.15Å; I109-G111 VanDerWaalsContact C-N 3.32Å; G111-Y113 VanDerWaalsContact C-N 3.32Å; G111-Y113 PolarHBondContact O-N 3.25Å; G111-Y113 VanDerWaalsContact O-N 3.14Å |
| 112 | E | 89.8 | Confident | 90 | Very high | 73 Ų | 73 | 35 Ų | 35 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | trans | -85.5 | 66.3 | 176.8 | -61.7 | -178 | 178.8 | 0 | 0 | 111.3 | R79 C107 S114 N115 A116 | R79-E112 IonicContact NH2-OE1 3.58Å; R79-E112 IonicContact NH2-OE2 2.71Å; R79-E112 PolarHBondContact NH2-OE2 3.42Å; C107-E112 HydrophobicContact CB-CB 4.1Å; C107-E112 WeakPolarHBondContact O-CA 3.11Å; C107-E112 PolarHBondContact O-N 3.47Å; E112-S114 PolarHBondContact O-N 3Å; E112-N115 HydrophobicContact CB-CB 4.13Å; E112-N115 PolarHBondContact O-N 2.9Å; E112-N115 PolarHBondContact OE2-ND2 3.49Å; E112-A116 PolarHBondContact O-N 3.14Å; E112-A116 VanDerWaalsContact O-N 3.13Å | ||
| 113 | Y | 90.3 | Very high | 89.8 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | -172.6 | -50.5 | -55.9 | 0 | 0 | 0 | 113.9 | Y108 G111 A116 L117 Q154 | Y108-Y113 AromaticContact CD2-CD1 3.81Å; Y108-Y113 HydrophobicContact CD2-CD1 3.81Å; Y108-Y113 AromaticContact CD2-CE1 3.76Å; Y108-Y113 HydrophobicContact CD2-CE1 3.76Å; Y108-Y113 HydrophobicContact CE2-CD1 4.29Å; Y108-Y113 AromaticContact CE2-CE1 3.9Å; Y108-Y113 HydrophobicContact CE2-CE1 3.9Å; G111-Y113 VanDerWaalsContact C-N 3.32Å; G111-Y113 PolarHBondContact O-N 3.25Å; G111-Y113 VanDerWaalsContact O-N 3.14Å; Y113-A116 WeakPolarHBondContact O-CB 3.26Å; Y113-A116 PolarHBondContact O-N 3.13Å; Y113-L117 WeakPolarHBondContact O-CG 3.4Å; Y113-L117 PolarHBondContact O-N 3.11Å; Y113-L117 VanDerWaalsContact O-N 3.12Å; Y113-Q154 HydrophobicContact CD1-CB 4.3Å; Y113-Q154 HydrophobicContact CD1-CG 4.4Å; Y113-Q154 HydrophobicContact CD2-CB 3.58Å; Y113-Q154 HydrophobicContact CD2-CG 4.33Å; Y113-Q154 HydrophobicContact CE1-CB 4.31Å; Y113-Q154 HydrophobicContact CE1-CG 4.05Å; Y113-Q154 HydrophobicContact CE2-CB 3.57Å; Y113-Q154 HydrophobicContact CE2-CG 3.95Å; Y113-Q154 HydrophobicContact CG-CB 3.94Å |
| 114 | S | 88.8 | Confident | 89.6 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 49% | 0.49 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.6 | -46 | 178.4 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | E112 A116 L117 D118 | E112-S114 PolarHBondContact O-N 3Å; S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 3.29Å; S114-L117 PolarHBondContact O-N 2.99Å; S114-L117 VanDerWaalsContact O-N 3.09Å; S114-D118 PolarHBondContact O-N 3.19Å |
| 115 | N | 89.4 | Confident | 89.3 | Confident | 73 Ų | 73 | 39.1 Ų | 39.1 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -37.9 | 177.4 | -64.3 | -9 | 0 | 0 | 0 | 111.3 | C107 E112 D118 H119 | C107-N115 HydrophobicContact CB-CB 4.37Å; E112-N115 HydrophobicContact CB-CB 4.13Å; E112-N115 PolarHBondContact O-N 2.9Å; E112-N115 PolarHBondContact OE2-ND2 3.49Å; N115-D118 PolarHBondContact O-N 2.99Å; N115-H119 PolarHBondContact O-CD2 3.16Å; N115-H119 PolarHBondContact O-N 3.25Å; N115-H119 VanDerWaalsContact O-N 3.12Å |
| 116 | A | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A104 C107 E112 Y113 S114 H119 Y120 | A104-A116 HydrophobicContact CB-CB 4.43Å; A104-A116 WeakPolarHBondContact O-CB 3.48Å; C107-A116 HydrophobicContact CB-CB 3.82Å; E112-A116 PolarHBondContact O-N 3.14Å; E112-A116 VanDerWaalsContact O-N 3.13Å; Y113-A116 WeakPolarHBondContact O-CB 3.26Å; Y113-A116 PolarHBondContact O-N 3.13Å; S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 3.29Å; A116-H119 PolarHBondContact O-N 2.62Å; A116-Y120 HydrophobicContact CB-CE2 4.46Å; A116-Y120 WeakPolarHBondContact O-CD2 3.5Å; A116-Y120 PolarHBondContact O-N 2.95Å; A116-Y120 VanDerWaalsContact O-N 3.08Å |
| 117 | L | 90.3 | Very high | 88.7 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 176.6 | -68.7 | 179.9 | 0 | 0 | 0 | 112.6 | Y113 S114 H119 Y120 S121 K148 C151 L152 I155 | Y113-L117 WeakPolarHBondContact O-CG 3.4Å; Y113-L117 PolarHBondContact O-N 3.11Å; Y113-L117 VanDerWaalsContact O-N 3.12Å; S114-L117 PolarHBondContact O-N 2.99Å; S114-L117 VanDerWaalsContact O-N 3.09Å; L117-H119 VanDerWaalsContact C-N 3.34Å; L117-Y120 PolarHBondContact O-N 3.5Å; L117-S121 WeakPolarHBondContact O-CB 3.47Å; L117-S121 PolarHBondContact O-N 2.89Å; L117-S121 PolarHBondContact O-OG 3.47Å; L117-K148 HydrophobicContact CD2-CG 3.89Å; L117-C151 HydrophobicContact CD1-CB 4.44Å; L117-C151 HydrophobicContact CD2-CB 3.75Å; L117-C151 HydrophobicContact CG-CB 3.89Å; L117-L152 HydrophobicContact CD1-CD2 3.8Å; L117-L152 HydrophobicContact CD1-CG 4.41Å; L117-L152 HydrophobicContact CD2-CD2 4.11Å; L117-L152 HydrophobicContact CD2-CG 4Å; L117-I155 HydrophobicContact CD1-CD1 3.42Å; L117-I155 VanDerWaalsContact CD1-CD1 3.42Å; L117-I155 HydrophobicContact CG-CD1 4.42Å |
| 118 | D | 90 | Very high | 88.6 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175 | -68.8 | -24.6 | 0 | 0 | 0 | 111.6 | S114 N115 S121 Q122 | S114-D118 PolarHBondContact O-N 3.19Å; N115-D118 PolarHBondContact O-N 2.99Å; D118-S121 PolarHBondContact O-N 3.02Å; D118-S121 PolarHBondContact O-OG 2.86Å; D118-Q122 WeakPolarHBondContact O-CG 3.44Å; D118-Q122 PolarHBondContact O-N 3.48Å |
| 119 | H | 90.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 173.8 | -75.4 | -60.6 | 0 | 0 | 0 | 112.4 | A104 N115 A116 L117 Q122 V123 | A104-H119 HydrophobicContact CB-CB 3.75Å; N115-H119 PolarHBondContact O-CD2 3.16Å; N115-H119 PolarHBondContact O-N 3.25Å; N115-H119 VanDerWaalsContact O-N 3.12Å; A116-H119 PolarHBondContact O-N 2.62Å; L117-H119 VanDerWaalsContact C-N 3.34Å; H119-Q122 PolarHBondContact O-N 3.07Å; H119-V123 WeakPolarHBondContact O-CG2 3.48Å; H119-V123 PolarHBondContact O-N 3.39Å; H119-V123 VanDerWaalsContact O-N 3.16Å |
| 120 | Y | 91.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 176.5 | -68.7 | -47.7 | 0 | 0 | 0 | 113.2 | L101 A104 A116 L117 N124 L125 A144 T147 K148 | L101-Y120 HydrophobicContact CD2-CD1 3.8Å; L101-Y120 HydrophobicContact CD2-CE1 3.79Å; A104-Y120 HydrophobicContact CB-CD1 4Å; A104-Y120 HydrophobicContact CB-CD2 4.22Å; A104-Y120 HydrophobicContact CB-CE1 3.51Å; A104-Y120 HydrophobicContact CB-CE2 3.77Å; A104-Y120 HydrophobicContact CB-CG 4.32Å; A116-Y120 HydrophobicContact CB-CE2 4.46Å; A116-Y120 WeakPolarHBondContact O-CD2 3.5Å; A116-Y120 PolarHBondContact O-N 2.95Å; A116-Y120 VanDerWaalsContact O-N 3.08Å; L117-Y120 PolarHBondContact O-N 3.5Å; Y120-N124 PolarHBondContact O-N 3.38Å; Y120-N124 VanDerWaalsContact O-N 3.14Å; Y120-L125 HydrophobicContact CD1-CD1 4.19Å; Y120-L125 HydrophobicContact CD1-CD2 4.02Å; Y120-L125 HydrophobicContact CD1-CG 4.4Å; Y120-L125 HydrophobicContact CG-CD1 4.43Å; Y120-A144 HydrophobicContact CD1-CB 4.37Å; Y120-A144 HydrophobicContact CE1-CB 3.7Å; Y120-T147 HydrophobicContact CE2-CG2 4.06Å; Y120-T147 VanDerWaalsContact OH-CB 3.24Å; Y120-T147 WeakPolarHBondContact OH-CB 3.29Å; Y120-T147 VanDerWaalsContact OH-CG2 3.25Å; Y120-T147 WeakPolarHBondContact OH-CG2 3.48Å; Y120-K148 HydrophobicContact CD2-CB 3.82Å; Y120-K148 HydrophobicContact CD2-CG 4.2Å; Y120-K148 HydrophobicContact CE2-CB 4.11Å; Y120-K148 HydrophobicContact CG-CB 4.33Å |
| 121 | S | 87.8 | Confident | 88.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.8 | -36.4 | 176.6 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | L117 D118 N124 | L117-S121 WeakPolarHBondContact O-CB 3.47Å; L117-S121 PolarHBondContact O-N 2.89Å; L117-S121 PolarHBondContact O-OG 3.47Å; D118-S121 PolarHBondContact O-N 3.02Å; D118-S121 PolarHBondContact O-OG 2.86Å; S121-N124 PolarHBondContact O-N 2.97Å |
| 122 | Q | 86.1 | Confident | 87.9 | Confident | 139 Ų | 139 | 59.7 Ų | 59.7 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.1 | -37 | 174.5 | -73.1 | 171 | 17 | 0 | 0 | 113.3 | D118 H119 | D118-Q122 WeakPolarHBondContact O-CG 3.44Å; D118-Q122 PolarHBondContact O-N 3.48Å; H119-Q122 PolarHBondContact O-N 3.07Å |
| 123 | V | 87.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.3 | -25.5 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | Q97 S100 L101 H119 L125 L128 | Q97-V123 HydrophobicContact CB-CG1 4.2Å; Q97-V123 HydrophobicContact CG-CG1 4.17Å; S100-V123 VanDerWaalsContact CB-CG2 3.44Å; L101-V123 HydrophobicContact CD2-CB 4.4Å; L101-V123 HydrophobicContact CD2-CG1 4Å; L101-V123 HydrophobicContact CD2-CG2 4.44Å; L101-V123 HydrophobicContact CG-CG1 4.4Å; H119-V123 WeakPolarHBondContact O-CG2 3.48Å; H119-V123 PolarHBondContact O-N 3.39Å; H119-V123 VanDerWaalsContact O-N 3.16Å; V123-L125 HydrophobicContact CG1-CD2 4.47Å; V123-L128 HydrophobicContact CG1-CD1 4.24Å; V123-L128 HydrophobicContact CG1-CD2 4.08Å |
| 124 | N | 86.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 84.6 | -170.6 | -165.7 | 14.5 | 0 | 0 | 0 | 112.9 | Y120 S121 D126 D127 | Y120-N124 PolarHBondContact O-N 3.38Å; Y120-N124 VanDerWaalsContact O-N 3.14Å; S121-N124 PolarHBondContact O-N 2.97Å; N124-D126 PolarHBondContact O-N 3.02Å; N124-D127 PolarHBondContact ND2-OD2 3.4Å; N124-D127 PolarHBondContact O-N 3.27Å |
| 125 | L | 87.6 | Confident | 87.7 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -53.9 | -29.7 | -173.5 | -61.6 | -178.9 | 0 | 0 | 0 | 114.3 | L101 Y120 V123 D127 L128 A144 Y145 K148 | L101-L125 HydrophobicContact CD2-CD2 3.53Å; Y120-L125 HydrophobicContact CD1-CD1 4.19Å; Y120-L125 HydrophobicContact CD1-CD2 4.02Å; Y120-L125 HydrophobicContact CD1-CG 4.4Å; Y120-L125 HydrophobicContact CG-CD1 4.43Å; V123-L125 HydrophobicContact CG1-CD2 4.47Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 3.05Å; L125-L128 HydrophobicContact CD2-CD1 3.89Å; L125-L128 WeakPolarHBondContact O-CB 3.32Å; L125-L128 WeakPolarHBondContact O-CG 3.33Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-A144 HydrophobicContact CD1-CB 4.41Å; L125-A144 HydrophobicContact CD2-CB 3.99Å; L125-Y145 HydrophobicContact CB-CD1 4.39Å; L125-Y145 HydrophobicContact CB-CE1 3.69Å; L125-Y145 HydrophobicContact CB-CE2 4.06Å; L125-Y145 HydrophobicContact CD1-CD1 3.77Å; L125-Y145 HydrophobicContact CD1-CE1 3.9Å; L125-Y145 HydrophobicContact CD1-CG 4.1Å; L125-Y145 HydrophobicContact CG-CE1 4.46Å; L125-Y145 PolarHBondContact O-OH 3.23Å; L125-Y145 VanDerWaalsContact O-OH 3.11Å; L125-K148 HydrophobicContact CD1-CB 4.3Å; L125-K148 HydrophobicContact CD1-CD 3.95Å |
| 126 | D | 85.7 | Confident | 87.7 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -71.2 | -20.1 | -177.1 | -71.6 | -8.8 | 0 | 0 | 0 | 113.5 | N124 Y145 K187 | N124-D126 PolarHBondContact O-N 3.02Å; D126-Y145 WeakPolarHBondContact CA-OH 3.31Å; D126-Y145 PolarHBondContact N-OH 3.3Å; D126-Y145 PolarHBondContact OD1-OH 2.99Å; D126-K187 IonicContact OD1-NZ 2.94Å; D126-K187 PolarHBondContact OD1-NZ 3.09Å; D126-K187 IonicContact OD2-NZ 2.79Å; D126-K187 PolarHBondContact OD2-NZ 3.03Å |
| 127 | D | 86.2 | Confident | 87.8 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -87.2 | -6.5 | 178.5 | -65.9 | -20.9 | 0 | 0 | 0 | 112.9 | N124 L125 Q129 | N124-D127 PolarHBondContact ND2-OD2 3.4Å; N124-D127 PolarHBondContact O-N 3.27Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 3.05Å; D127-Q129 PolarHBondContact O-N 2.68Å |
| 128 | L | 87.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | trans | -71.7 | 128.8 | -176.4 | -61.9 | 178.2 | 0 | 0 | 0 | 111.6 | L101 V123 L125 L130 I141 | L101-L128 HydrophobicContact CD1-CD1 4.31Å; V123-L128 HydrophobicContact CG1-CD1 4.24Å; V123-L128 HydrophobicContact CG1-CD2 4.08Å; L125-L128 HydrophobicContact CD2-CD1 3.89Å; L125-L128 WeakPolarHBondContact O-CB 3.32Å; L125-L128 WeakPolarHBondContact O-CG 3.33Å; L125-L128 PolarHBondContact O-N 3.37Å; L128-L130 PolarHBondContact O-N 2.99Å; L128-I141 HydrophobicContact CB-CD1 4Å; L128-I141 HydrophobicContact CB-CG1 4.42Å; L128-I141 HydrophobicContact CD1-CD1 4.38Å; L128-I141 HydrophobicContact CD1-CG1 3.9Å; L128-I141 HydrophobicContact CD1-CG2 4.5Å | ||
| 129 | Q | 86.3 | Confident | 88 | Confident | 146 Ų | 146 | 48 Ų | 48 | 68% | 0.682 | 28% | 0.284 | S | S | * | . | trans | -76.2 | 125.2 | -177.8 | -65.1 | -174.4 | 1.6 | 0 | 0 | 112 | D127 A133 | D127-Q129 PolarHBondContact O-N 2.68Å; Q129-A133 WeakPolarHBondContact O-CB 3.34Å | ||
| 130 | L | 89.1 | Confident | 88.1 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -95.3 | -26.6 | 174.2 | -57.6 | 177.8 | 0 | 0 | 0 | 113.1 | L128 L138 I141 I191 L316 R318 | L128-L130 PolarHBondContact O-N 2.99Å; L130-L138 HydrophobicContact CB-CD2 4.36Å; L130-L138 HydrophobicContact CD2-CD2 3.96Å; L130-I141 HydrophobicContact CD2-CD1 3.87Å; L130-I141 HydrophobicContact CD2-CG2 4.26Å; L130-I191 HydrophobicContact CD1-CD1 4.22Å; L130-I191 HydrophobicContact CD1-CG1 4.09Å; L130-I191 HydrophobicContact CD2-CD1 4.18Å; L130-I191 HydrophobicContact CD2-CG1 4.37Å; L130-I191 HydrophobicContact CD2-CG2 4.16Å; L130-L316 HydrophobicContact CD1-CB 4.26Å; L130-L316 HydrophobicContact CD1-CD2 4.24Å; L130-R318 HydrophobicContact CB-CB 4.09Å | ||
| 131 | A | 84.6 | Confident | 88.3 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 127.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A133 | A131-A133 PolarHBondContact O-N 3.17Š|
| 132 | G | 79.9 | Confident | 88.6 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 83% | 0.825 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | -2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 133 | A | 86.1 | Confident | 89 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | trans | -68.1 | 143.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q129 A131 L138 | Q129-A133 WeakPolarHBondContact O-CB 3.34Å; A131-A133 PolarHBondContact O-N 3.17Å; A133-L138 HydrophobicContact CB-CD2 4.22Å | ||
| 134 | P | 88.7 | Confident | 89.4 | Confident | 37 Ų | 37 | 36 Ų | 36 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | trans | -66.8 | 155 | 173.1 | 29 | -34 | 0 | 0 | 0 | 111 | Y136 R137 L138 | P134-Y136 HydrophobicContact CB-CD1 3.83Å; P134-Y136 HydrophobicContact CB-CE1 3.58Å; P134-Y136 HydrophobicContact CG-CD1 3.95Å; P134-Y136 HydrophobicContact CG-CE1 3.31Å; P134-Y136 PolarHBondContact O-N 3.16Å; P134-R137 HydrophobicContact CG-CB 3.9Å; P134-R137 WeakPolarHBondContact O-CB 3.49Å; P134-R137 PolarHBondContact O-N 2.82Å; P134-L138 PolarHBondContact O-N 3.38Å | ||
| 135 | V | 89.3 | Confident | 89.8 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | -171.7 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | R137 L138 S139 Y195 E198 A199 | V135-R137 PolarHBondContact O-N 3.38Å; V135-L138 WeakPolarHBondContact O-CB 3.35Å; V135-L138 PolarHBondContact O-N 2.99Å; V135-S139 PolarHBondContact O-N 3.3Å; V135-Y195 HydrophobicContact CG1-CD2 3.76Å; V135-Y195 HydrophobicContact CG1-CE2 3.73Å; V135-Y195 WeakPolarHBondContact O-CD2 3.38Å; V135-E198 HydrophobicContact CG2-CB 4.29Å; V135-A199 HydrophobicContact CG1-CB 3.81Å |
| 136 | Y | 89.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -34.4 | 177.4 | 77.6 | -96.1 | 0 | 0 | 0 | 112.7 | E15 R18 S19 E98 P134 S139 M140 | E15-Y136 HydrophobicContact CB-CE1 4.22Å; E15-Y136 HydrophobicContact CG-CE1 4Å; R18-Y136 HydrophobicContact CB-CD1 4.07Å; R18-Y136 HydrophobicContact CB-CD2 4.47Å; R18-Y136 HydrophobicContact CB-CG 3.87Å; R18-Y136 VanDerWaalsContact CZ-CD2 3.49Å; R18-Y136 PolarHBondContact NH1-OH 3.11Å; R18-Y136 VanDerWaalsContact NH2-CE2 3.29Å; S19-Y136 PolarHBondContact OG-N 3.35Å; E98-Y136 WeakPolarHBondContact OE1-CE2 3.47Å; E98-Y136 PolarHBondContact OE1-OH 2.88Å; P134-Y136 HydrophobicContact CB-CD1 3.83Å; P134-Y136 HydrophobicContact CB-CE1 3.58Å; P134-Y136 HydrophobicContact CG-CD1 3.95Å; P134-Y136 HydrophobicContact CG-CE1 3.31Å; P134-Y136 PolarHBondContact O-N 3.16Å; Y136-S139 WeakPolarHBondContact O-CB 3.4Å; Y136-S139 PolarHBondContact O-N 2.9Å; Y136-M140 HydrophobicContact CD2-SD 3.93Å; Y136-M140 HydrophobicContact CE2-SD 4.08Å; Y136-M140 WeakPolarHBondContact O-CG 3.3Å; Y136-M140 PolarHBondContact O-N 3.46Å |
| 137 | R | 92.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 11% | 0.106 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.8 | -33.1 | -177.6 | -169.8 | 165.6 | -174.2 | 174.7 | -3.6 | 111.7 | D94 P134 V135 S139 M140 I141 | D94-R137 VanDerWaalsContact CB-NH1 3.27Å; D94-R137 IonicContact OD1-CZ 3.06Å; D94-R137 VanDerWaalsContact OD1-CZ 3.28Å; D94-R137 IonicContact OD1-NH1 3.68Å; D94-R137 PolarHBondContact OD1-NH1 3.45Å; D94-R137 IonicContact OD1-NH2 2.91Å; D94-R137 PolarHBondContact OD1-NH2 2.96Å; D94-R137 IonicContact OD2-NH1 3.64Å; P134-R137 HydrophobicContact CG-CB 3.9Å; P134-R137 WeakPolarHBondContact O-CB 3.49Å; P134-R137 PolarHBondContact O-N 2.82Å; V135-R137 PolarHBondContact O-N 3.38Å; R137-S139 VanDerWaalsContact C-N 3.32Å; R137-M140 PolarHBondContact O-N 3.27Å; R137-I141 HydrophobicContact CG-CD1 4.14Å; R137-I141 WeakPolarHBondContact O-CG1 3.38Å; R137-I141 PolarHBondContact O-N 2.98Å |
| 138 | L | 92.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 170.8 | -61.7 | 174.3 | 0 | 0 | 0 | 111.1 | L130 A133 P134 V135 I141 A142 I191 L194 | L130-L138 HydrophobicContact CB-CD2 4.36Å; L130-L138 HydrophobicContact CD2-CD2 3.96Å; A133-L138 HydrophobicContact CB-CD2 4.22Å; P134-L138 PolarHBondContact O-N 3.38Å; V135-L138 WeakPolarHBondContact O-CB 3.35Å; V135-L138 PolarHBondContact O-N 2.99Å; L138-I141 PolarHBondContact O-N 2.88Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.21Å; L138-I191 WeakPolarHBondContact O-CG2 3.46Å; L138-L194 HydrophobicContact CD1-CD2 4.36Å; L138-L194 HydrophobicContact CD1-CG 4.25Å; L138-L194 HydrophobicContact CD2-CD2 4.15Å |
| 139 | S | 92.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.7 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | V135 Y136 R137 I141 A142 E143 | V135-S139 PolarHBondContact O-N 3.3Å; Y136-S139 WeakPolarHBondContact O-CB 3.4Å; Y136-S139 PolarHBondContact O-N 2.9Å; R137-S139 VanDerWaalsContact C-N 3.32Å; S139-I141 VanDerWaalsContact C-N 3.31Å; S139-I141 PolarHBondContact O-N 3.14Å; S139-A142 PolarHBondContact O-N 3.38Å; S139-E143 VanDerWaalsContact O-CG 3.28Å; S139-E143 WeakPolarHBondContact O-CG 3.37Å; S139-E143 PolarHBondContact O-N 3.05Å |
| 140 | M | 93.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 5% | 0.054 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 179.2 | -71.2 | -177.3 | 67 | 0 | 0 | 112.7 | E98 L101 L102 Y136 R137 A144 | E98-M140 HydrophobicContact CB-CE 3.78Å; E98-M140 HydrophobicContact CG-CE 3.87Å; E98-M140 HydrophobicContact CG-SD 4.07Å; L101-M140 HydrophobicContact CB-CE 4.32Å; L101-M140 HydrophobicContact CD1-CE 4.49Å; L102-M140 HydrophobicContact CD1-CE 4.32Å; L102-M140 HydrophobicContact CD2-CE 4.15Å; L102-M140 HydrophobicContact CG-CE 3.9Å; Y136-M140 HydrophobicContact CD2-SD 3.93Å; Y136-M140 HydrophobicContact CE2-SD 4.08Å; Y136-M140 WeakPolarHBondContact O-CG 3.3Å; Y136-M140 PolarHBondContact O-N 3.46Å; R137-M140 PolarHBondContact O-N 3.27Å; M140-A144 VanDerWaalsContact O-CB 3.26Å; M140-A144 WeakPolarHBondContact O-CB 3.39Å; M140-A144 PolarHBondContact O-N 3.05Å |
| 141 | I | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 178.4 | -64.7 | 166.3 | 0 | 0 | 0 | 110.4 | L128 L130 R137 L138 S139 E143 A144 Y145 I191 | L128-I141 HydrophobicContact CB-CD1 4Å; L128-I141 HydrophobicContact CB-CG1 4.42Å; L128-I141 HydrophobicContact CD1-CD1 4.38Å; L128-I141 HydrophobicContact CD1-CG1 3.9Å; L128-I141 HydrophobicContact CD1-CG2 4.5Å; L130-I141 HydrophobicContact CD2-CD1 3.87Å; L130-I141 HydrophobicContact CD2-CG2 4.26Å; R137-I141 HydrophobicContact CG-CD1 4.14Å; R137-I141 WeakPolarHBondContact O-CG1 3.38Å; R137-I141 PolarHBondContact O-N 2.98Å; L138-I141 PolarHBondContact O-N 2.88Å; S139-I141 VanDerWaalsContact C-N 3.31Å; S139-I141 PolarHBondContact O-N 3.14Å; I141-E143 PolarHBondContact O-N 3.29Å; I141-A144 PolarHBondContact O-N 2.85Å; I141-Y145 HydrophobicContact CG2-CD2 3.88Å; I141-Y145 HydrophobicContact CG2-CE2 3.74Å; I141-Y145 WeakPolarHBondContact O-CD2 3.21Å; I141-Y145 PolarHBondContact O-N 3.39Å; I141-Y145 VanDerWaalsContact O-N 3.07Å; I141-I191 HydrophobicContact CG2-CD1 3.82Å; I141-I191 HydrophobicContact CG2-CG2 4.43Å |
| 142 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L138 S139 Y145 A146 S188 I191 A192 L227 | L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.21Å; S139-A142 PolarHBondContact O-N 3.38Å; A142-Y145 PolarHBondContact O-N 3.27Å; A142-A146 PolarHBondContact O-N 3.37Å; A142-A146 VanDerWaalsContact O-N 3.11Å; A142-S188 WeakPolarHBondContact O-CB 3.4Å; A142-S188 PolarHBondContact O-OG 2.82Å; A142-I191 HydrophobicContact CB-CB 4.15Å; A142-I191 HydrophobicContact CB-CG2 3.97Å; A142-A192 HydrophobicContact CB-CB 4.11Å; A142-L227 HydrophobicContact CB-CD2 3.77Å |
| 143 | E | 94.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.065 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.7 | -66.2 | 178.2 | 135.6 | 0 | 0 | 111.8 | K105 S139 I141 Y145 A146 T147 F226 L227 | K105-E143 VanDerWaalsContact NZ-CD 3.34Å; K105-E143 IonicContact NZ-OE1 3.62Å; K105-E143 IonicContact NZ-OE2 3.56Å; K105-E143 PolarHBondContact NZ-OE2 3.11Å; S139-E143 VanDerWaalsContact O-CG 3.28Å; S139-E143 WeakPolarHBondContact O-CG 3.37Å; S139-E143 PolarHBondContact O-N 3.05Å; I141-E143 PolarHBondContact O-N 3.29Å; E143-Y145 PolarHBondContact O-N 3.37Å; E143-A146 PolarHBondContact O-N 3.5Å; E143-T147 WeakPolarHBondContact O-CB 3.41Å; E143-T147 PolarHBondContact O-N 3.17Å; E143-T147 PolarHBondContact O-OG1 3.33Å; E143-F226 HydrophobicContact CB-CB 4.06Å; E143-F226 HydrophobicContact CG-CB 3.88Å; E143-L227 HydrophobicContact CG-CD2 3.85Å; E143-L227 HydrophobicContact CG-CG 4.06Å |
| 144 | A | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 2% | 0.017 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L101 Y120 L125 M140 I141 T147 K148 | L101-A144 HydrophobicContact CD1-CB 4.46Å; L101-A144 HydrophobicContact CD2-CB 3.86Å; Y120-A144 HydrophobicContact CD1-CB 4.37Å; Y120-A144 HydrophobicContact CE1-CB 3.7Å; L125-A144 HydrophobicContact CD1-CB 4.41Å; L125-A144 HydrophobicContact CD2-CB 3.99Å; M140-A144 VanDerWaalsContact O-CB 3.26Å; M140-A144 WeakPolarHBondContact O-CB 3.39Å; M140-A144 PolarHBondContact O-N 3.05Å; I141-A144 PolarHBondContact O-N 2.85Å; A144-T147 PolarHBondContact O-N 3.11Å; A144-K148 WeakPolarHBondContact O-CB 3.35Å; A144-K148 PolarHBondContact O-N 2.93Å |
| 145 | Y | 95.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 18.6 Ų | 18.6 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.3 | -82.9 | -69.7 | 0 | 0 | 0 | 112.5 | L125 D126 I141 A142 E143 K148 G149 K187 I191 | L125-Y145 HydrophobicContact CB-CD1 4.39Å; L125-Y145 HydrophobicContact CB-CE1 3.69Å; L125-Y145 HydrophobicContact CB-CE2 4.06Å; L125-Y145 HydrophobicContact CD1-CD1 3.77Å; L125-Y145 HydrophobicContact CD1-CE1 3.9Å; L125-Y145 HydrophobicContact CD1-CG 4.1Å; L125-Y145 HydrophobicContact CG-CE1 4.46Å; L125-Y145 PolarHBondContact O-OH 3.23Å; L125-Y145 VanDerWaalsContact O-OH 3.11Å; D126-Y145 WeakPolarHBondContact CA-OH 3.31Å; D126-Y145 PolarHBondContact N-OH 3.3Å; D126-Y145 PolarHBondContact OD1-OH 2.99Å; I141-Y145 HydrophobicContact CG2-CD2 3.88Å; I141-Y145 HydrophobicContact CG2-CE2 3.74Å; I141-Y145 WeakPolarHBondContact O-CD2 3.21Å; I141-Y145 PolarHBondContact O-N 3.39Å; I141-Y145 VanDerWaalsContact O-N 3.07Å; A142-Y145 PolarHBondContact O-N 3.27Å; E143-Y145 PolarHBondContact O-N 3.37Å; Y145-K148 PolarHBondContact O-N 3.47Å; Y145-G149 PolarHBondContact O-N 3.18Å; Y145-K187 HydrophobicContact CD1-CB 4.17Å; Y145-K187 HydrophobicContact CD1-CD 4.27Å; Y145-K187 HydrophobicContact CD2-CB 4.31Å; Y145-K187 HydrophobicContact CE1-CB 4.28Å; Y145-K187 HydrophobicContact CE1-CD 3.62Å; Y145-K187 HydrophobicContact CE2-CB 4.4Å; Y145-K187 HydrophobicContact CG-CB 4.19Å; Y145-I191 HydrophobicContact CD2-CD1 3.9Å; Y145-I191 HydrophobicContact CE2-CD1 3.78Å |
| 146 | A | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A142 E143 G149 L150 S188 F226 | A142-A146 PolarHBondContact O-N 3.37Å; A142-A146 VanDerWaalsContact O-N 3.11Å; E143-A146 PolarHBondContact O-N 3.5Å; A146-G149 PolarHBondContact O-N 3.28Å; A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 2.97Å; A146-S188 WeakPolarHBondContact CB-OG 3.47Å; A146-F226 HydrophobicContact CB-CB 4.42Å; A146-F226 VanDerWaalsContact CB-O 3.25Å; A146-F226 WeakPolarHBondContact CB-O 3.4Å |
| 147 | T | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | Y108 Y120 E143 A144 G149 L150 C151 F226 | Y108-T147 VanDerWaalsContact CB-CG2 3.49Å; Y108-T147 HydrophobicContact CD1-CG2 4.08Å; Y108-T147 HydrophobicContact CD2-CG2 4.12Å; Y108-T147 HydrophobicContact CG-CG2 3.62Å; Y120-T147 HydrophobicContact CE2-CG2 4.06Å; Y120-T147 VanDerWaalsContact OH-CB 3.24Å; Y120-T147 WeakPolarHBondContact OH-CB 3.29Å; Y120-T147 VanDerWaalsContact OH-CG2 3.25Å; Y120-T147 WeakPolarHBondContact OH-CG2 3.48Å; E143-T147 WeakPolarHBondContact O-CB 3.41Å; E143-T147 PolarHBondContact O-N 3.17Å; E143-T147 PolarHBondContact O-OG1 3.33Å; A144-T147 PolarHBondContact O-N 3.11Å; T147-G149 VanDerWaalsContact C-N 3.34Å; T147-G149 PolarHBondContact O-N 3.5Å; T147-L150 PolarHBondContact O-N 3.3Å; T147-C151 PolarHBondContact O-N 2.82Å; T147-C151 PolarHBondContact O-SG 3.24Å; T147-F226 VanDerWaalsContact OG1-CD1 3.31Å; T147-F226 WeakPolarHBondContact OG1-CD1 3.38Å; T147-F226 WeakPolarHBondContact OG1-CE1 3.3Å |
| 148 | K | 94.1 | Very high | 87.5 | Confident | 48 Ų | 48 | 30.9 Ų | 30.9 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 172.5 | -175.8 | -175.5 | 171.4 | -167 | 0 | 110.7 | L117 Y120 L125 A144 Y145 L150 C151 L152 E180 | L117-K148 HydrophobicContact CD2-CG 3.89Å; Y120-K148 HydrophobicContact CD2-CB 3.82Å; Y120-K148 HydrophobicContact CD2-CG 4.2Å; Y120-K148 HydrophobicContact CE2-CB 4.11Å; Y120-K148 HydrophobicContact CG-CB 4.33Å; L125-K148 HydrophobicContact CD1-CB 4.3Å; L125-K148 HydrophobicContact CD1-CD 3.95Å; A144-K148 WeakPolarHBondContact O-CB 3.35Å; A144-K148 PolarHBondContact O-N 2.93Å; Y145-K148 PolarHBondContact O-N 3.47Å; K148-L150 PolarHBondContact O-N 2.97Å; K148-C151 PolarHBondContact O-N 3.5Å; K148-L152 HydrophobicContact CG-CD1 4.32Å; K148-L152 WeakPolarHBondContact O-CG 3.45Å; K148-L152 PolarHBondContact O-N 3.37Å; K148-E180 WeakPolarHBondContact CE-OE1 3.37Å; K148-E180 IonicContact NZ-OE1 3.01Å; K148-E180 PolarHBondContact NZ-OE1 3.24Å |
| 149 | G | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y145 A146 T147 L152 E153 Y185 | Y145-G149 PolarHBondContact O-N 3.18Å; A146-G149 PolarHBondContact O-N 3.28Å; T147-G149 VanDerWaalsContact C-N 3.34Å; T147-G149 PolarHBondContact O-N 3.5Å; G149-L152 PolarHBondContact O-N 3.21Å; G149-E153 PolarHBondContact O-N 3.49Å; G149-Y185 VanDerWaalsContact C-OH 3.32Å |
| 150 | L | 91.9 | Very high | 82.5 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.3 | -73.3 | 164.6 | 0 | 0 | 0 | 112.6 | Y108 A146 T147 K148 L152 E153 Q154 Y185 Y225 F226 T229 | Y108-L150 HydrophobicContact CD2-CB 4.37Å; Y108-L150 HydrophobicContact CE1-CD1 4.36Å; Y108-L150 HydrophobicContact CE2-CB 3.61Å; Y108-L150 HydrophobicContact CE2-CD1 4.38Å; A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 2.97Å; T147-L150 PolarHBondContact O-N 3.3Å; K148-L150 PolarHBondContact O-N 2.97Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.4Å; L150-E153 PolarHBondContact O-N 3.18Å; L150-Q154 WeakPolarHBondContact O-CG 3.35Å; L150-Q154 PolarHBondContact O-N 2.88Å; L150-Y185 HydrophobicContact CG-CE1 4.35Å; L150-Y185 PolarHBondContact N-OH 3.38Å; L150-Y225 HydrophobicContact CD1-CE1 4Å; L150-F226 HydrophobicContact CD1-CD1 4.1Å; L150-F226 HydrophobicContact CD1-CE1 4.25Å; L150-T229 HydrophobicContact CD1-CG2 4.12Å; L150-T229 HydrophobicContact CD2-CG2 4.04Å; L150-T229 HydrophobicContact CG-CG2 4.16Å |
| 151 | C | 91.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.3 | -69 | 0 | 0 | 0 | 0 | 111.6 | Y108 L117 T147 K148 E153 Q154 I155 | Y108-C151 VanDerWaalsContact CD2-SG 3.59Å; L117-C151 HydrophobicContact CD1-CB 4.44Å; L117-C151 HydrophobicContact CD2-CB 3.75Å; L117-C151 HydrophobicContact CG-CB 3.89Å; T147-C151 PolarHBondContact O-N 2.82Å; T147-C151 PolarHBondContact O-SG 3.24Å; K148-C151 PolarHBondContact O-N 3.5Å; C151-E153 VanDerWaalsContact C-N 3.28Å; C151-E153 PolarHBondContact O-N 3.49Å; C151-Q154 PolarHBondContact O-N 2.97Å; C151-Q154 VanDerWaalsContact O-N 3.17Å; C151-I155 PolarHBondContact O-N 3.38Å |
| 152 | L | 90.1 | Very high | 77.2 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -30.8 | 177.2 | -73.8 | 173.2 | 0 | 0 | 0 | 112.5 | L117 K148 G149 L150 R177 E180 I181 | L117-L152 HydrophobicContact CD1-CD2 3.8Å; L117-L152 HydrophobicContact CD1-CG 4.41Å; L117-L152 HydrophobicContact CD2-CD2 4.11Å; L117-L152 HydrophobicContact CD2-CG 4Å; K148-L152 HydrophobicContact CG-CD1 4.32Å; K148-L152 WeakPolarHBondContact O-CG 3.45Å; K148-L152 PolarHBondContact O-N 3.37Å; G149-L152 PolarHBondContact O-N 3.21Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.4Å; L152-R177 PolarHBondContact O-NE 3.08Å; L152-R177 PolarHBondContact O-NH2 3.33Å; L152-E180 HydrophobicContact CD1-CG 4.08Å; L152-I181 HydrophobicContact CB-CD1 4.07Å; L152-I181 HydrophobicContact CB-CG1 3.57Å; L152-I181 HydrophobicContact CD1-CG1 4.18Å |
| 153 | E | 88.5 | Confident | 74.3 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.5 | -29.4 | 173.4 | -73.9 | -174.4 | -166.2 | 0 | 0 | 113.3 | G149 L150 C151 I181 Y185 R233 | G149-E153 PolarHBondContact O-N 3.49Å; L150-E153 PolarHBondContact O-N 3.18Å; C151-E153 VanDerWaalsContact C-N 3.28Å; C151-E153 PolarHBondContact O-N 3.49Å; E153-I181 HydrophobicContact CG-CD1 4.19Å; E153-I181 HydrophobicContact CG-CG2 3.88Å; E153-Y185 WeakPolarHBondContact OE1-CE2 3.43Å; E153-Y185 PolarHBondContact OE1-OH 3.4Å; E153-R233 IonicContact OE1-CZ 3.81Å; E153-R233 IonicContact OE1-NE 3.34Å; E153-R233 PolarHBondContact OE1-NE 2.95Å; E153-R233 IonicContact OE1-NH2 3.24Å; E153-R233 PolarHBondContact OE1-NH2 3.27Å; E153-R233 IonicContact OE2-CZ 3.12Å; E153-R233 IonicContact OE2-NE 3.21Å; E153-R233 IonicContact OE2-NH2 3.47Å; E153-R233 PolarHBondContact OE2-NH2 3.35Å |
| 154 | Q | 85.5 | Confident | 71.5 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -85.6 | -23.8 | -173 | -66.2 | -61.5 | -44.3 | 0 | 0 | 114.2 | Y113 L150 C151 | Y113-Q154 HydrophobicContact CD1-CB 4.3Å; Y113-Q154 HydrophobicContact CD1-CG 4.4Å; Y113-Q154 HydrophobicContact CD2-CB 3.58Å; Y113-Q154 HydrophobicContact CD2-CG 4.33Å; Y113-Q154 HydrophobicContact CE1-CB 4.31Å; Y113-Q154 HydrophobicContact CE1-CG 4.05Å; Y113-Q154 HydrophobicContact CE2-CB 3.57Å; Y113-Q154 HydrophobicContact CE2-CG 3.95Å; Y113-Q154 HydrophobicContact CG-CB 3.94Å; L150-Q154 WeakPolarHBondContact O-CG 3.35Å; L150-Q154 PolarHBondContact O-N 2.88Å; C151-Q154 PolarHBondContact O-N 2.97Å; C151-Q154 VanDerWaalsContact O-N 3.17Å |
| 155 | I | 81.3 | Confident | 68.4 | Low | 43 Ų | 43 | 66.9 Ų | 66.9 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -85.5 | 126.8 | -179.3 | -64.7 | 164.6 | 0 | 0 | 0 | 108.8 | L117 C151 R177 | L117-I155 HydrophobicContact CD1-CD1 3.42Å; L117-I155 VanDerWaalsContact CD1-CD1 3.42Å; L117-I155 HydrophobicContact CG-CD1 4.42Å; C151-I155 PolarHBondContact O-N 3.38Å; I155-R177 VanDerWaalsContact CB-NH2 3.34Å; I155-R177 PolarHBondContact O-NH1 2.93Å; I155-R177 PolarHBondContact O-NH2 3.44Å |
| 156 | P | 70.8 | Confident | 65.4 | Low | 111 Ų | 111 | 70.8 Ų | 70.8 | 72% | 0.721 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 150.7 | 176.6 | 24.6 | -30.8 | 0 | 0 | 0 | 111.9 | S158 R177 | P156-S158 PolarHBondContact O-N 3.32Å; P156-R177 PolarHBondContact O-NH1 3.09Å |
| 157 | D | 61 | Low | 62.2 | Low | 90 Ų | 90 | 74.2 Ų | 74.2 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 130.8 | 172.5 | -84.8 | -25.4 | 0 | 0 | 0 | 110.5 | S159 R177 | D157-S159 PolarHBondContact O-N 3.08Å; D157-R177 WeakPolarHBondContact OD1-CD 3.3Å; D157-R177 IonicContact OD1-CZ 3.47Å; D157-R177 IonicContact OD1-NE 3.91Å; D157-R177 IonicContact OD1-NH1 3.84Å; D157-R177 PolarHBondContact OD1-NH1 3.47Å |
| 158 | S | 47.7 | Very low | 59.4 | Low | 121 Ų | 121 | 80.4 Ų | 80.4 | 85% | 0.846 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -70.8 | 6.5 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | P156 | P156-S158 PolarHBondContact O-N 3.32Š|
| 159 | S | 40.7 | Very low | 56.5 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | trans | -122.3 | 103.7 | -177.9 | -49.8 | 0 | 0 | 0 | 0 | 109.9 | D157 S161 | D157-S159 PolarHBondContact O-N 3.08Å; S159-S161 VanDerWaalsContact C-N 3.31Å; S159-S161 PolarHBondContact O-N 3.04Å | ||
| 160 | P | 40.2 | Very low | 54 | Low | 124 Ų | 124 | 87.1 Ų | 87.1 | 81% | 0.805 | 55% | 0.553 | S | S | * | * | trans | -73.8 | 92.1 | 169.5 | 30.7 | -28.8 | 0 | 0 | 0 | 107.4 | L162 | P160-L162 PolarHBondContact O-N 3.46Š| ||
| 161 | S | 35.7 | Very low | 52 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | trans | -69 | 111.8 | 157.7 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | S159 S163 R172 | S159-S161 VanDerWaalsContact C-N 3.31Å; S159-S161 PolarHBondContact O-N 3.04Å; S161-S163 PolarHBondContact O-N 3Å; S161-R172 PolarHBondContact OG-NH2 3.26Å | ||
| 162 | L | 39.6 | Very low | 50.2 | Low | 178 Ų | 178 | 98.2 Ų | 98.2 | 93% | 0.932 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -54.5 | 96.1 | 174.6 | -84.4 | 139.2 | 0 | 0 | 0 | 110.2 | P160 | P160-L162 PolarHBondContact O-N 3.46Š|
| 163 | S | 33.4 | Very low | 48.5 | Very low | 82 Ų | 82 | 101.4 Ų | 101.4 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | trans | -146.1 | 75.9 | 152.7 | 64.5 | 0 | 0 | 0 | 0 | 108.2 | S161 S165 | S161-S163 PolarHBondContact O-N 3Å; S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 PolarHBondContact O-N 3.38Å; S163-S165 VanDerWaalsContact O-N 3.1Å | ||
| 164 | N | 36.4 | Very low | 47.1 | Very low | 175 Ų | 175 | 100.9 Ų | 100.9 | 94% | 0.936 | 63% | 0.627 | S | S | * | * | trans | -75.1 | 86.8 | 165 | -152 | 18.3 | 0 | 0 | 0 | 107.2 | ||||
| 165 | S | 31.1 | Very low | 46.5 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | trans | -136.8 | 112.4 | 159.3 | 56.2 | 0 | 0 | 0 | 0 | 108.7 | S163 S167 | S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 PolarHBondContact O-N 3.38Å; S163-S165 VanDerWaalsContact O-N 3.1Å; S165-S167 PolarHBondContact O-N 3.44Å | ||
| 166 | G | 31.1 | Very low | 46.3 | Very low | 94 Ų | 94 | 101 Ų | 101 | 97% | 0.969 | 64% | 0.639 | S | S | * | * | trans | -69.4 | 70.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 167 | S | 30 | Very low | 46.8 | Very low | 71 Ų | 71 | 97.9 Ų | 97.9 | 50% | 0.497 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -144.3 | 129.9 | 169.8 | 51.2 | 0 | 0 | 0 | 0 | 108.7 | S165 S169 | S165-S167 PolarHBondContact O-N 3.44Å; S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 2.92Å |
| 168 | P | 34.5 | Very low | 47.8 | Very low | 131 Ų | 131 | 96.8 Ų | 96.8 | 85% | 0.851 | 61% | 0.605 | S | S | * | * | trans | -70.9 | 88.9 | 176.9 | 29.7 | -31.1 | 0 | 0 | 0 | 108.5 | T170 | P168-T170 PolarHBondContact O-N 2.97Š| ||
| 169 | S | 33.6 | Very low | 49.6 | Very low | 94 Ų | 94 | 92.7 Ų | 92.7 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | trans | -77.2 | 112.2 | 169.6 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | S167 N171 | S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 2.92Å; S169-N171 PolarHBondContact O-N 3.22Å | ||
| 170 | T | 40.2 | Very low | 51.8 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 58% | 0.577 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -65 | 8.8 | 179.3 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | P168 | P168-T170 PolarHBondContact O-N 2.97Š|
| 171 | N | 49.5 | Very low | 54.2 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | trans | -138.6 | 74.6 | -155.7 | -63.4 | -12.8 | 0 | 0 | 0 | 111.6 | S169 | S169-N171 PolarHBondContact O-N 3.22Š| ||
| 172 | R | 53.3 | Low | 56.8 | Low | 137 Ų | 137 | 83.7 Ų | 83.7 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | trans | -132.4 | 137.2 | 169.4 | -159 | -179.5 | -175.2 | 179.5 | 3.5 | 109.8 | S161 | S161-R172 PolarHBondContact OG-NH2 3.26Š| ||
| 173 | S | 54.5 | Low | 59.3 | Low | 84 Ų | 84 | 76.3 Ų | 76.3 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 141.5 | 167.3 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | T175 | S173-T175 PolarHBondContact O-N 3.05Š|
| 174 | P | 59.6 | Low | 62.1 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 130.6 | -177.1 | 23.4 | -30.8 | 0 | 0 | 0 | 109.6 | E178 | P174-E178 VanDerWaalsContact CA-OE2 3.24Å; P174-E178 WeakPolarHBondContact CA-OE2 3.47Å; P174-E178 HydrophobicContact CB-CB 4.03Å |
| 175 | T | 72.8 | Confident | 64.9 | Low | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.153 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 155.5 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 109.5 | S173 R177 E178 Q179 | S173-T175 PolarHBondContact O-N 3.05Å; T175-R177 PolarHBondContact O-N 3Å; T175-E178 PolarHBondContact N-OE2 2.98Å; T175-E178 PolarHBondContact O-N 3.32Å; T175-E178 WeakPolarHBondContact OG1-CB 3.01Å; T175-E178 VanDerWaalsContact OG1-CG 3.28Å; T175-E178 WeakPolarHBondContact OG1-CG 3.15Å; T175-E178 PolarHBondContact OG1-N 2.66Å; T175-E178 VanDerWaalsContact OG1-N 3.13Å; T175-Q179 PolarHBondContact O-N 3.19Å |
| 176 | P | 75.8 | Confident | 67.9 | Low | 119 Ų | 119 | 61.3 Ų | 61.3 | 77% | 0.773 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -53.9 | -32.2 | 177.6 | 19.8 | -32.6 | 0 | 0 | 0 | 112.4 | E180 | P176-E180 PolarHBondContact O-N 3.21Å; P176-E180 VanDerWaalsContact O-N 3.09Å |
| 177 | R | 82.4 | Confident | 70.9 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.4 | -44.7 | 173.9 | -172.5 | -179.4 | -179.6 | 174.9 | -1 | 113.1 | L152 I155 P156 D157 T175 Q179 E180 I181 | L152-R177 PolarHBondContact O-NE 3.08Å; L152-R177 PolarHBondContact O-NH2 3.33Å; I155-R177 VanDerWaalsContact CB-NH2 3.34Å; I155-R177 PolarHBondContact O-NH1 2.93Å; I155-R177 PolarHBondContact O-NH2 3.44Å; P156-R177 PolarHBondContact O-NH1 3.09Å; D157-R177 WeakPolarHBondContact OD1-CD 3.3Å; D157-R177 IonicContact OD1-CZ 3.47Å; D157-R177 IonicContact OD1-NE 3.91Å; D157-R177 IonicContact OD1-NH1 3.84Å; D157-R177 PolarHBondContact OD1-NH1 3.47Å; T175-R177 PolarHBondContact O-N 3Å; R177-Q179 VanDerWaalsContact C-N 3.25Å; R177-Q179 PolarHBondContact O-N 2.95Å; R177-E180 WeakPolarHBondContact O-CB 3.48Å; R177-E180 PolarHBondContact O-N 2.98Å; R177-E180 VanDerWaalsContact O-N 3.11Å; R177-I181 HydrophobicContact CG-CD1 4.3Å; R177-I181 WeakPolarHBondContact O-CG1 3.37Å; R177-I181 PolarHBondContact O-N 3.39Å |
| 178 | E | 81.9 | Confident | 74 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 174 | -76.8 | 168.9 | 169.3 | 0 | 0 | 111.7 | P174 T175 E180 I181 I182 | P174-E178 VanDerWaalsContact CA-OE2 3.24Å; P174-E178 WeakPolarHBondContact CA-OE2 3.47Å; P174-E178 HydrophobicContact CB-CB 4.03Å; T175-E178 PolarHBondContact N-OE2 2.98Å; T175-E178 PolarHBondContact O-N 3.32Å; T175-E178 WeakPolarHBondContact OG1-CB 3.01Å; T175-E178 VanDerWaalsContact OG1-CG 3.28Å; T175-E178 WeakPolarHBondContact OG1-CG 3.15Å; T175-E178 PolarHBondContact OG1-N 2.66Å; T175-E178 VanDerWaalsContact OG1-N 3.13Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-I181 WeakPolarHBondContact O-CB 3.44Å; E178-I181 PolarHBondContact O-N 3.34Å; E178-I182 VanDerWaalsContact O-CG1 3.25Å; E178-I182 WeakPolarHBondContact O-CG1 3.43Å; E178-I182 PolarHBondContact O-N 2.98Å |
| 179 | Q | 84.6 | Confident | 76.8 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 174.1 | -173.9 | 60.2 | 63.6 | 0 | 0 | 112.1 | T175 R177 T183 N313 | T175-Q179 PolarHBondContact O-N 3.19Å; R177-Q179 VanDerWaalsContact C-N 3.25Å; R177-Q179 PolarHBondContact O-N 2.95Å; Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 PolarHBondContact O-N 2.75Å; Q179-T183 PolarHBondContact O-OG1 3.44Å; Q179-N313 PolarHBondContact NE2-ND2 2.6Å |
| 180 | E | 87.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 171.8 | -171.6 | -177 | 179.2 | 0 | 0 | 111.5 | K148 L152 P176 R177 E178 I182 T183 C184 | K148-E180 WeakPolarHBondContact CE-OE1 3.37Å; K148-E180 IonicContact NZ-OE1 3.01Å; K148-E180 PolarHBondContact NZ-OE1 3.24Å; L152-E180 HydrophobicContact CD1-CG 4.08Å; P176-E180 PolarHBondContact O-N 3.21Å; P176-E180 VanDerWaalsContact O-N 3.09Å; R177-E180 WeakPolarHBondContact O-CB 3.48Å; R177-E180 PolarHBondContact O-N 2.98Å; R177-E180 VanDerWaalsContact O-N 3.11Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E180-I182 PolarHBondContact O-N 2.81Å; E180-T183 PolarHBondContact O-N 3.45Å; E180-C184 PolarHBondContact O-N 3.03Å; E180-C184 PolarHBondContact O-SG 3.47Å |
| 181 | I | 90.6 | Very high | 82.4 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 176.9 | -69.6 | 166.7 | 0 | 0 | 0 | 110.5 | L152 E153 R177 E178 T183 C184 Y185 I237 | L152-I181 HydrophobicContact CB-CD1 4.07Å; L152-I181 HydrophobicContact CB-CG1 3.57Å; L152-I181 HydrophobicContact CD1-CG1 4.18Å; E153-I181 HydrophobicContact CG-CD1 4.19Å; E153-I181 HydrophobicContact CG-CG2 3.88Å; R177-I181 HydrophobicContact CG-CD1 4.3Å; R177-I181 WeakPolarHBondContact O-CG1 3.37Å; R177-I181 PolarHBondContact O-N 3.39Å; E178-I181 WeakPolarHBondContact O-CB 3.44Å; E178-I181 PolarHBondContact O-N 3.34Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.78Å; I181-C184 WeakPolarHBondContact O-CB 3.39Å; I181-C184 PolarHBondContact O-N 2.99Å; I181-Y185 HydrophobicContact CG2-CD2 3.89Å; I181-Y185 HydrophobicContact CG2-CE2 3.39Å; I181-Y185 WeakPolarHBondContact O-CD2 3.47Å; I181-Y185 PolarHBondContact O-N 3.02Å; I181-Y185 VanDerWaalsContact O-N 3.16Å; I181-I237 HydrophobicContact CG2-CD1 4.08Å |
| 182 | I | 90.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 177.3 | -69.1 | 165.1 | 0 | 0 | 0 | 110.2 | E178 E180 C184 Y185 E186 I237 H238 | E178-I182 VanDerWaalsContact O-CG1 3.25Å; E178-I182 WeakPolarHBondContact O-CG1 3.43Å; E178-I182 PolarHBondContact O-N 2.98Å; E180-I182 PolarHBondContact O-N 2.81Å; I182-C184 VanDerWaalsContact C-N 3.27Å; I182-C184 PolarHBondContact O-N 3.21Å; I182-Y185 PolarHBondContact O-N 3.2Å; I182-Y185 VanDerWaalsContact O-N 3.09Å; I182-E186 HydrophobicContact CG2-CG 4.12Å; I182-E186 WeakPolarHBondContact O-CG 3.38Å; I182-E186 PolarHBondContact O-N 3.3Å; I182-I237 HydrophobicContact CD1-CG2 3.78Å; I182-I237 HydrophobicContact CG1-CB 4.27Å; I182-I237 HydrophobicContact CG1-CD1 4.48Å; I182-I237 HydrophobicContact CG1-CG2 3.68Å; I182-H238 VanDerWaalsContact CG2-CE1 3.45Å; I182-H238 WeakPolarHBondContact CG2-CE1 3.45Å; I182-H238 WeakPolarHBondContact CG2-NE2 3.42Å |
| 183 | T | 91.4 | Very high | 86.5 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | -179.5 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | Q179 E180 I181 E186 K187 Y314 | Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 PolarHBondContact O-N 2.75Å; Q179-T183 PolarHBondContact O-OG1 3.44Å; E180-T183 PolarHBondContact O-N 3.45Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.78Å; T183-E186 PolarHBondContact O-N 3.41Å; T183-K187 HydrophobicContact CG2-CD 4.42Å; T183-K187 WeakPolarHBondContact O-CB 3.36Å; T183-K187 WeakPolarHBondContact O-CG 3.48Å; T183-K187 PolarHBondContact O-N 3.38Å; T183-Y314 HydrophobicContact CG2-CD1 3.91Å; T183-Y314 HydrophobicContact CG2-CE1 4.41Å |
| 184 | C | 93.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 174 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | E180 I181 I182 S188 | E180-C184 PolarHBondContact O-N 3.03Å; E180-C184 PolarHBondContact O-SG 3.47Å; I181-C184 WeakPolarHBondContact O-CB 3.39Å; I181-C184 PolarHBondContact O-N 2.99Å; I182-C184 VanDerWaalsContact C-N 3.27Å; I182-C184 PolarHBondContact O-N 3.21Å; C184-S188 VanDerWaalsContact O-CB 3.27Å; C184-S188 WeakPolarHBondContact O-CB 3.3Å; C184-S188 PolarHBondContact O-N 2.85Å |
| 185 | Y | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 177.7 | -63.8 | -55.6 | 0 | 0 | 0 | 113.1 | G149 L150 E153 I181 I182 S188 G189 T229 G230 R233 I237 | G149-Y185 VanDerWaalsContact C-OH 3.32Å; L150-Y185 HydrophobicContact CG-CE1 4.35Å; L150-Y185 PolarHBondContact N-OH 3.38Å; E153-Y185 WeakPolarHBondContact OE1-CE2 3.43Å; E153-Y185 PolarHBondContact OE1-OH 3.4Å; I181-Y185 HydrophobicContact CG2-CD2 3.89Å; I181-Y185 HydrophobicContact CG2-CE2 3.39Å; I181-Y185 WeakPolarHBondContact O-CD2 3.47Å; I181-Y185 PolarHBondContact O-N 3.02Å; I181-Y185 VanDerWaalsContact O-N 3.16Å; I182-Y185 PolarHBondContact O-N 3.2Å; I182-Y185 VanDerWaalsContact O-N 3.09Å; Y185-S188 WeakPolarHBondContact O-CB 3.22Å; Y185-S188 PolarHBondContact O-N 3.12Å; Y185-G189 PolarHBondContact O-N 2.71Å; Y185-T229 HydrophobicContact CD1-CG2 4.44Å; Y185-T229 HydrophobicContact CE1-CG2 3.85Å; Y185-G230 VanDerWaalsContact O-O 3.09Å; Y185-R233 HydrophobicContact CD1-CB 3.9Å; Y185-R233 HydrophobicContact CD1-CG 4.11Å; Y185-R233 HydrophobicContact CD2-CB 4.03Å; Y185-R233 HydrophobicContact CD2-CG 3.62Å; Y185-R233 HydrophobicContact CE1-CB 4.05Å; Y185-R233 HydrophobicContact CE1-CG 3.88Å; Y185-R233 HydrophobicContact CE2-CB 4.14Å; Y185-R233 HydrophobicContact CE2-CG 3.32Å; Y185-R233 HydrophobicContact CG-CB 3.89Å; Y185-R233 HydrophobicContact CG-CG 3.99Å; Y185-R233 VanDerWaalsContact CZ-CG 3.45Å; Y185-I237 HydrophobicContact CD2-CD1 3.84Å; Y185-I237 HydrophobicContact CE2-CD1 3.76Å |
| 186 | E | 93.4 | Very high | 91 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 8% | 0.084 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 175.9 | -70 | 179.7 | 161.3 | 0 | 0 | 111.5 | I182 T183 S188 G189 D190 A234 H238 Y314 | I182-E186 HydrophobicContact CG2-CG 4.12Å; I182-E186 WeakPolarHBondContact O-CG 3.38Å; I182-E186 PolarHBondContact O-N 3.3Å; T183-E186 PolarHBondContact O-N 3.41Å; E186-S188 PolarHBondContact O-N 3.37Å; E186-G189 PolarHBondContact O-N 3.08Å; E186-D190 WeakPolarHBondContact O-CB 3.36Å; E186-D190 VanDerWaalsContact O-CG 3.23Å; E186-D190 PolarHBondContact O-N 2.96Å; E186-A234 HydrophobicContact CG-CB 3.86Å; E186-H238 IonicContact OE1-CD2 3.72Å; E186-H238 IonicContact OE1-CE1 3.12Å; E186-H238 IonicContact OE1-NE2 3.26Å; E186-H238 PolarHBondContact OE1-NE2 2.86Å; E186-Y314 VanDerWaalsContact C-OH 3.25Å; E186-Y314 HydrophobicContact CB-CE1 3.83Å; E186-Y314 WeakPolarHBondContact CB-OH 3.38Å; E186-Y314 PolarHBondContact O-OH 3.06Å |
| 187 | K | 93.8 | Very high | 91.8 | Very high | 21 Ų | 21 | 17.6 Ų | 17.6 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.2 | -72.4 | -177.1 | -179 | -178.7 | 0 | 111.5 | D126 Y145 T183 D190 I191 Y314 L316 | D126-K187 IonicContact OD1-NZ 2.94Å; D126-K187 PolarHBondContact OD1-NZ 3.09Å; D126-K187 IonicContact OD2-NZ 2.79Å; D126-K187 PolarHBondContact OD2-NZ 3.03Å; Y145-K187 HydrophobicContact CD1-CB 4.17Å; Y145-K187 HydrophobicContact CD1-CD 4.27Å; Y145-K187 HydrophobicContact CD2-CB 4.31Å; Y145-K187 HydrophobicContact CE1-CB 4.28Å; Y145-K187 HydrophobicContact CE1-CD 3.62Å; Y145-K187 HydrophobicContact CE2-CB 4.4Å; Y145-K187 HydrophobicContact CG-CB 4.19Å; T183-K187 HydrophobicContact CG2-CD 4.42Å; T183-K187 WeakPolarHBondContact O-CB 3.36Å; T183-K187 WeakPolarHBondContact O-CG 3.48Å; T183-K187 PolarHBondContact O-N 3.38Å; K187-D190 PolarHBondContact O-N 3.34Å; K187-I191 WeakPolarHBondContact O-CB 3.5Å; K187-I191 WeakPolarHBondContact O-CD1 3.42Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.22Å; K187-Y314 HydrophobicContact CD-CD2 4.41Å; K187-Y314 HydrophobicContact CD-CG 4.45Å; K187-Y314 HydrophobicContact CG-CD1 4.17Å; K187-Y314 HydrophobicContact CG-CD2 3.74Å; K187-Y314 HydrophobicContact CG-CE1 4.11Å; K187-Y314 HydrophobicContact CG-CE2 3.68Å; K187-Y314 HydrophobicContact CG-CG 4Å; K187-L316 HydrophobicContact CG-CD2 4.45Å |
| 188 | S | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.3 | -50.5 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | A142 A146 C184 Y185 E186 I191 A192 G230 | A142-S188 WeakPolarHBondContact O-CB 3.4Å; A142-S188 PolarHBondContact O-OG 2.82Å; A146-S188 WeakPolarHBondContact CB-OG 3.47Å; C184-S188 VanDerWaalsContact O-CB 3.27Å; C184-S188 WeakPolarHBondContact O-CB 3.3Å; C184-S188 PolarHBondContact O-N 2.85Å; Y185-S188 WeakPolarHBondContact O-CB 3.22Å; Y185-S188 PolarHBondContact O-N 3.12Å; E186-S188 PolarHBondContact O-N 3.37Å; S188-I191 PolarHBondContact O-N 2.96Å; S188-A192 WeakPolarHBondContact O-CB 3.45Å; S188-A192 PolarHBondContact O-N 3.44Å; S188-G230 VanDerWaalsContact OG-CA 3.31Å; S188-G230 WeakPolarHBondContact OG-CA 3.33Å |
| 189 | G | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y185 E186 A192 L193 G230 | Y185-G189 PolarHBondContact O-N 2.71Å; E186-G189 PolarHBondContact O-N 3.08Å; G189-A192 PolarHBondContact O-N 3.45Å; G189-L193 WeakPolarHBondContact O-CG 3.45Å; G189-L193 PolarHBondContact O-N 3.43Å; G189-G230 WeakPolarHBondContact CA-O 3.21Å; G189-G230 PolarHBondContact N-O 3.41Å |
| 190 | D | 94.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 179.2 | -69.7 | 2.3 | 0 | 0 | 0 | 111.7 | E186 K187 L194 R250 K312 Y314 L316 | E186-D190 WeakPolarHBondContact O-CB 3.36Å; E186-D190 VanDerWaalsContact O-CG 3.23Å; E186-D190 PolarHBondContact O-N 2.96Å; K187-D190 PolarHBondContact O-N 3.34Å; D190-L194 PolarHBondContact O-N 3.17Å; D190-R250 IonicContact OD1-CZ 2.59Å; D190-R250 VanDerWaalsContact OD1-CZ 3.3Å; D190-R250 IonicContact OD1-NH1 2.94Å; D190-R250 PolarHBondContact OD1-NH1 3.44Å; D190-R250 IonicContact OD1-NH2 3.57Å; D190-R250 PolarHBondContact OD1-NH2 3.43Å; D190-R250 IonicContact OD2-NH1 3.99Å; D190-K312 IonicContact OD2-NZ 3.67Å; D190-K312 PolarHBondContact OD2-NZ 3.4Å; D190-Y314 PolarHBondContact OD2-OH 3.01Å; D190-L316 HydrophobicContact CB-CD1 3.54Å |
| 191 | I | 95.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.2 | -35 | 177.2 | -60.3 | 167.2 | 0 | 0 | 0 | 110.6 | L130 L138 I141 A142 Y145 K187 S188 L194 Y195 L316 | L130-I191 HydrophobicContact CD1-CD1 4.22Å; L130-I191 HydrophobicContact CD1-CG1 4.09Å; L130-I191 HydrophobicContact CD2-CD1 4.18Å; L130-I191 HydrophobicContact CD2-CG1 4.37Å; L130-I191 HydrophobicContact CD2-CG2 4.16Å; L138-I191 WeakPolarHBondContact O-CG2 3.46Å; I141-I191 HydrophobicContact CG2-CD1 3.82Å; I141-I191 HydrophobicContact CG2-CG2 4.43Å; A142-I191 HydrophobicContact CB-CB 4.15Å; A142-I191 HydrophobicContact CB-CG2 3.97Å; Y145-I191 HydrophobicContact CD2-CD1 3.9Å; Y145-I191 HydrophobicContact CE2-CD1 3.78Å; K187-I191 WeakPolarHBondContact O-CB 3.5Å; K187-I191 WeakPolarHBondContact O-CD1 3.42Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.22Å; S188-I191 PolarHBondContact O-N 2.96Å; I191-L194 WeakPolarHBondContact O-CB 3.39Å; I191-L194 PolarHBondContact O-N 2.9Å; I191-Y195 WeakPolarHBondContact O-CB 3.45Å; I191-Y195 PolarHBondContact O-N 3.33Å; I191-L316 HydrophobicContact CD1-CD2 4.4Å; I191-L316 HydrophobicContact CG1-CD1 3.97Å; I191-L316 HydrophobicContact CG1-CD2 4.47Å |
| 192 | A | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A142 S188 G189 L194 Y195 L196 L227 L231 | A142-A192 HydrophobicContact CB-CB 4.11Å; S188-A192 WeakPolarHBondContact O-CB 3.45Å; S188-A192 PolarHBondContact O-N 3.44Å; G189-A192 PolarHBondContact O-N 3.45Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.13Å; A192-Y195 WeakPolarHBondContact O-CB 3.11Å; A192-Y195 PolarHBondContact O-N 2.89Å; A192-L196 VanDerWaalsContact O-CG 3.27Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3.14Å; A192-L227 HydrophobicContact CB-CD2 4Å; A192-L231 HydrophobicContact CB-CD2 4.18Å; A192-L231 HydrophobicContact CB-CG 4.15Å |
| 193 | L | 94.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.3 | -71.6 | 171.9 | 0 | 0 | 0 | 111.8 | G189 L196 Q197 L231 I254 A257 T263 P320 | G189-L193 WeakPolarHBondContact O-CG 3.45Å; G189-L193 PolarHBondContact O-N 3.43Å; L193-L196 PolarHBondContact O-N 3.27Å; L193-Q197 VanDerWaalsContact O-CG 3.31Å; L193-Q197 WeakPolarHBondContact O-CG 3.42Å; L193-Q197 PolarHBondContact O-N 3.37Å; L193-Q197 VanDerWaalsContact O-N 3.15Å; L193-L231 HydrophobicContact CD2-CD2 3.81Å; L193-L231 HydrophobicContact CG-CD2 3.74Å; L193-I254 HydrophobicContact CD1-CG1 4.41Å; L193-A257 HydrophobicContact CD1-CB 3.93Å; L193-A257 HydrophobicContact CD2-CB 4.38Å; L193-T263 HydrophobicContact CD2-CG2 4.13Å; L193-P320 HydrophobicContact CB-CB 3.9Å; L193-P320 HydrophobicContact CB-CG 4.17Å |
| 194 | L | 94.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.6 | 174.2 | 66.3 | 0 | 0 | 0 | 111.6 | L138 D190 I191 A192 Q197 E198 R318 P320 | L138-L194 HydrophobicContact CD1-CD2 4.36Å; L138-L194 HydrophobicContact CD1-CG 4.25Å; L138-L194 HydrophobicContact CD2-CD2 4.15Å; D190-L194 PolarHBondContact O-N 3.17Å; I191-L194 WeakPolarHBondContact O-CB 3.39Å; I191-L194 PolarHBondContact O-N 2.9Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.13Å; L194-Q197 PolarHBondContact O-N 2.65Å; L194-E198 HydrophobicContact CD1-CG 4.16Å; L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 3.41Å; L194-E198 VanDerWaalsContact O-N 3.07Å; L194-R318 HydrophobicContact CD1-CG 4.23Å; L194-R318 HydrophobicContact CD2-CB 4.28Å; L194-R318 HydrophobicContact CD2-CG 3.92Å; L194-R318 WeakPolarHBondContact CD2-O 3.43Å; L194-P320 HydrophobicContact CB-CB 4.34Å |
| 195 | Y | 93.4 | Very high | 89.6 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 7% | 0.071 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.8 | -51.7 | 176.4 | 155.9 | -111.7 | 0 | 0 | 0 | 111.2 | V135 I191 A192 Q197 E198 A199 L227 | V135-Y195 HydrophobicContact CG1-CD2 3.76Å; V135-Y195 HydrophobicContact CG1-CE2 3.73Å; V135-Y195 WeakPolarHBondContact O-CD2 3.38Å; I191-Y195 WeakPolarHBondContact O-CB 3.45Å; I191-Y195 PolarHBondContact O-N 3.33Å; A192-Y195 WeakPolarHBondContact O-CB 3.11Å; A192-Y195 PolarHBondContact O-N 2.89Å; Y195-Q197 VanDerWaalsContact C-N 3.31Å; Y195-Q197 PolarHBondContact O-N 3.49Å; Y195-E198 PolarHBondContact O-N 3.26Å; Y195-A199 HydrophobicContact CD2-CB 4.4Å; Y195-A199 HydrophobicContact CE2-CB 4.01Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å; Y195-A199 PolarHBondContact O-N 3.03Å; Y195-L227 HydrophobicContact CD1-CD1 4.05Å; Y195-L227 HydrophobicContact CE1-CD1 3.63Å |
| 196 | L | 92.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | -176.9 | -65.7 | 172.1 | 0 | 0 | 0 | 111.8 | A192 L193 A199 E200 L221 L223 L231 T260 T263 | A192-L196 VanDerWaalsContact O-CG 3.27Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3.14Å; L193-L196 PolarHBondContact O-N 3.27Å; L196-A199 PolarHBondContact O-N 3.41Å; L196-E200 WeakPolarHBondContact O-CB 3.45Å; L196-E200 PolarHBondContact O-N 3.03Å; L196-L221 HydrophobicContact CD2-CD2 3.97Å; L196-L223 HydrophobicContact CD1-CD1 3.88Å; L196-L223 HydrophobicContact CD2-CD1 4Å; L196-L231 HydrophobicContact CD1-CD1 4.3Å; L196-T260 HydrophobicContact CB-CG2 4.35Å; L196-T263 HydrophobicContact CD1-CG2 3.59Å |
| 197 | Q | 92.8 | Very high | 85.9 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.5 | -71.9 | 175.4 | -4.8 | 0 | 0 | 112.6 | L193 L194 Y195 K201 V258 T260 R321 | L193-Q197 VanDerWaalsContact O-CG 3.31Å; L193-Q197 WeakPolarHBondContact O-CG 3.42Å; L193-Q197 PolarHBondContact O-N 3.37Å; L193-Q197 VanDerWaalsContact O-N 3.15Å; L194-Q197 PolarHBondContact O-N 2.65Å; Y195-Q197 VanDerWaalsContact C-N 3.31Å; Y195-Q197 PolarHBondContact O-N 3.49Å; Q197-K201 WeakPolarHBondContact O-CB 3.3Å; Q197-K201 PolarHBondContact O-N 2.66Å; Q197-K201 VanDerWaalsContact O-N 3.15Å; Q197-V258 PolarHBondContact NE2-O 2.93Å; Q197-T260 HydrophobicContact CB-CG2 4.3Å; Q197-T260 HydrophobicContact CG-CG2 3.67Å; Q197-R321 PolarHBondContact NE2-O 3.23Å |
| 198 | E | 90.3 | Very high | 83.8 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.6 | -32.3 | 179.2 | -66.4 | -66.3 | 147.6 | 0 | 0 | 112 | V135 L194 Y195 K201 A202 R318 R321 | V135-E198 HydrophobicContact CG2-CB 4.29Å; L194-E198 HydrophobicContact CD1-CG 4.16Å; L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 3.41Å; L194-E198 VanDerWaalsContact O-N 3.07Å; Y195-E198 PolarHBondContact O-N 3.26Å; E198-K201 PolarHBondContact O-N 3Å; E198-A202 WeakPolarHBondContact O-CB 3.29Å; E198-A202 PolarHBondContact O-N 3.42Å; E198-R318 IonicContact OE1-NH2 2.78Å; E198-R318 PolarHBondContact OE1-NH2 3.15Å; E198-R318 IonicContact OE2-NH2 2.87Å; E198-R318 PolarHBondContact OE2-NH2 3.15Å; E198-R321 IonicContact OE1-CZ 2.72Å; E198-R321 IonicContact OE1-NE 2.69Å; E198-R321 IonicContact OE1-NH2 3.31Å; E198-R321 PolarHBondContact OE1-NH2 2.74Å |
| 199 | A | 88.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V135 Y195 L196 K201 A202 L203 L221 | V135-A199 HydrophobicContact CG1-CB 3.81Å; Y195-A199 HydrophobicContact CD2-CB 4.4Å; Y195-A199 HydrophobicContact CE2-CB 4.01Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å; Y195-A199 PolarHBondContact O-N 3.03Å; L196-A199 PolarHBondContact O-N 3.41Å; A199-K201 VanDerWaalsContact C-N 3.34Å; A199-K201 PolarHBondContact O-N 3.45Å; A199-A202 PolarHBondContact O-N 3.12Å; A199-L203 WeakPolarHBondContact O-CG 3.45Å; A199-L203 PolarHBondContact O-N 3.43Å; A199-L221 HydrophobicContact CB-CD2 4.04Å |
| 200 | E | 87.1 | Confident | 79 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 177 | -172.7 | 174.3 | -126.6 | 0 | 0 | 112.3 | L196 L203 S204 T260 R261 | L196-E200 WeakPolarHBondContact O-CB 3.45Å; L196-E200 PolarHBondContact O-N 3.03Å; E200-L203 PolarHBondContact O-N 3.12Å; E200-S204 WeakPolarHBondContact O-CB 3.46Å; E200-S204 PolarHBondContact O-N 3.15Å; E200-S204 PolarHBondContact O-OG 3.11Å; E200-T260 VanDerWaalsContact OE2-CA 3.31Å; E200-T260 WeakPolarHBondContact OE2-CA 3.41Å; E200-T260 WeakPolarHBondContact OE2-CB 3.25Å; E200-T260 WeakPolarHBondContact OE2-CG2 3.5Å; E200-R261 VanDerWaalsContact OE1-CG 3.28Å; E200-R261 WeakPolarHBondContact OE1-CG 3.49Å; E200-R261 PolarHBondContact OE1-N 3.05Å; E200-R261 IonicContact OE1-NE 3.85Å |
| 201 | K | 86.7 | Confident | 76.1 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 173.7 | -175.3 | -176.2 | 177 | -170.7 | 0 | 111.8 | Q197 E198 A199 S204 A205 R321 | Q197-K201 WeakPolarHBondContact O-CB 3.3Å; Q197-K201 PolarHBondContact O-N 2.66Å; Q197-K201 VanDerWaalsContact O-N 3.15Å; E198-K201 PolarHBondContact O-N 3Å; A199-K201 VanDerWaalsContact C-N 3.34Å; A199-K201 PolarHBondContact O-N 3.45Å; K201-S204 PolarHBondContact O-N 3.46Å; K201-A205 PolarHBondContact O-N 3.44Å; K201-A205 VanDerWaalsContact O-N 3.07Å; K201-R321 VanDerWaalsContact NZ-NH2 3.19Å |
| 202 | A | 81.7 | Confident | 73.3 | Confident | 50 Ų | 50 | 63 Ų | 63 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E198 A199 S204 A205 G206 | E198-A202 WeakPolarHBondContact O-CB 3.29Å; E198-A202 PolarHBondContact O-N 3.42Å; A199-A202 PolarHBondContact O-N 3.12Å; A202-S204 PolarHBondContact O-N 2.65Å; A202-A205 PolarHBondContact O-N 2.89Å; A202-G206 PolarHBondContact O-N 3.29Å |
| 203 | L | 77.9 | Confident | 70.1 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.1 | -72.7 | 165.4 | 0 | 0 | 0 | 111.8 | E20 A199 E200 G206 I207 | E20-L203 HydrophobicContact CG-CD2 4.37Å; A199-L203 WeakPolarHBondContact O-CG 3.45Å; A199-L203 PolarHBondContact O-N 3.43Å; E200-L203 PolarHBondContact O-N 3.12Å; L203-G206 PolarHBondContact O-N 3.02Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.25Å |
| 204 | S | 75.6 | Confident | 67.1 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 42% | 0.42 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 113 | E200 K201 A202 G206 I207 | E200-S204 WeakPolarHBondContact O-CB 3.46Å; E200-S204 PolarHBondContact O-N 3.15Å; E200-S204 PolarHBondContact O-OG 3.11Å; K201-S204 PolarHBondContact O-N 3.46Å; A202-S204 PolarHBondContact O-N 2.65Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 3.42Å; S204-I207 PolarHBondContact O-N 3.34Å |
| 205 | A | 67.4 | Low | 64 | Low | 53 Ų | 53 | 80.4 Ų | 80.4 | 44% | 0.438 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K201 A202 I207 | K201-A205 PolarHBondContact O-N 3.44Å; K201-A205 VanDerWaalsContact O-N 3.07Å; A202-A205 PolarHBondContact O-N 2.89Å; A205-I207 VanDerWaalsContact C-N 3.3Å; A205-I207 PolarHBondContact O-N 2.86Å |
| 206 | G | 56.2 | Low | 61 | Low | 20 Ų | 20 | 86 Ų | 86 | 21% | 0.206 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.2 | -25.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A202 L203 S204 | A202-G206 PolarHBondContact O-N 3.29Å; L203-G206 PolarHBondContact O-N 3.02Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 3.42Å |
| 207 | I | 54.4 | Low | 58.2 | Low | 111 Ų | 111 | 90.1 Ų | 90.1 | 57% | 0.569 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.5 | -36.6 | -178.6 | -65.7 | 166.3 | 0 | 0 | 0 | 111.6 | L203 S204 A205 N209 R210 | L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.25Å; S204-I207 PolarHBondContact O-N 3.34Å; A205-I207 VanDerWaalsContact C-N 3.3Å; A205-I207 PolarHBondContact O-N 2.86Å; I207-N209 PolarHBondContact O-N 2.86Å; I207-R210 PolarHBondContact O-N 3.4Å |
| 208 | Q | 51.5 | Low | 55.7 | Low | 174 Ų | 174 | 94.2 Ų | 94.2 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.3 | -20.3 | 178.3 | -69.9 | -175.9 | -13 | 0 | 0 | 113.6 | ||
| 209 | N | 45.2 | Very low | 53.9 | Low | 147 Ų | 147 | 99.8 Ų | 99.8 | 79% | 0.786 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 7 | -177.4 | -74.8 | -31.1 | 0 | 0 | 0 | 114.4 | I207 | I207-N209 PolarHBondContact O-N 2.86Š|
| 210 | R | 43.3 | Very low | 52.5 | Low | 168 Ų | 168 | 105.9 Ų | 105.9 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -115.3 | 129 | 176.5 | -72.2 | -177.1 | 175.5 | 174.9 | 2.9 | 110.5 | I207 | I207-R210 PolarHBondContact O-N 3.4Š|
| 211 | S | 33 | Very low | 51.7 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | trans | -64.2 | 146.9 | 166.3 | 45 | 0 | 0 | 0 | 0 | 110.1 | K213 | S211-K213 PolarHBondContact O-N 2.88Š| ||
| 212 | P | 36.3 | Very low | 51.1 | Low | 134 Ų | 134 | 108.9 Ų | 108.9 | 87% | 0.87 | 63% | 0.627 | S | S | * | * | trans | -70.4 | 98.7 | -173.3 | 28.2 | -32 | 0 | 0 | 0 | 109.4 | ||||
| 213 | K | 29 | Very low | 51.2 | Low | 181 Ų | 181 | 108 Ų | 108 | 79% | 0.787 | 62% | 0.615 | S | S | * | * | trans | -113 | 138.3 | 161 | -84.3 | -173.2 | 175.7 | -178.1 | 0 | 108.6 | S211 G215 | S211-K213 PolarHBondContact O-N 2.88Å; K213-G215 PolarHBondContact O-N 2.85Å | ||
| 214 | P | 32.4 | Very low | 51.6 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 91% | 0.909 | 61% | 0.614 | S | S | * | * | trans | -74.8 | 93 | 178.8 | 30.3 | -28.3 | 0 | 0 | 0 | 108.4 | ||||
| 215 | G | 29 | Very low | 52.3 | Low | 55 Ų | 55 | 104.9 Ų | 104.9 | 57% | 0.567 | 60% | 0.6 | S | S | * | * | trans | -102.5 | 165.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K213 | K213-G215 PolarHBondContact O-N 2.85Š| ||
| 216 | P | 30 | Very low | 53.4 | Low | 135 Ų | 135 | 102.6 Ų | 102.6 | 88% | 0.877 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -59.5 | 148.5 | -169.7 | 27.3 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 217 | A | 33.9 | Very low | 55.1 | Low | 91 Ų | 91 | 101.9 Ų | 101.9 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | trans | -38.5 | 138.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q219 | A217-Q219 PolarHBondContact O-N 2.99Š| ||
| 218 | T | 41.5 | Very low | 56.8 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 63% | 0.632 | 56% | 0.563 | S | S | * | * | trans | -44 | 115.3 | 171.2 | 39.6 | 0 | 0 | 0 | 0 | 109.7 | D220 | T218-D220 PolarHBondContact O-N 2.79Å; T218-D220 VanDerWaalsContact O-N 3.15Å | ||
| 219 | Q | 52 | Low | 58.8 | Low | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | trans | -64.6 | 114.3 | 171.8 | -97.5 | 171.8 | -21.7 | 0 | 0 | 107.9 | A217 L221 | A217-Q219 PolarHBondContact O-N 2.99Å; Q219-L221 PolarHBondContact O-N 3.48Å | ||
| 220 | D | 58.6 | Low | 61 | Low | 134 Ų | 134 | 86 Ų | 86 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | trans | -66.1 | 128.9 | 172.4 | -69.5 | -37.7 | 0 | 0 | 0 | 108.7 | T218 E222 | T218-D220 PolarHBondContact O-N 2.79Å; T218-D220 VanDerWaalsContact O-N 3.15Å; D220-E222 PolarHBondContact O-N 3.29Å; D220-E222 VanDerWaalsContact O-N 3.12Å | ||
| 221 | L | 69.8 | Low | 63.4 | Low | 47 Ų | 47 | 78 Ų | 78 | 25% | 0.246 | 46% | 0.461 | C | S | . | . | trans | -66.6 | 108.4 | 175.7 | -176 | 72.8 | 0 | 0 | 0 | 108 | L196 A199 Q219 T262 | L196-L221 HydrophobicContact CD2-CD2 3.97Å; A199-L221 HydrophobicContact CB-CD2 4.04Å; Q219-L221 PolarHBondContact O-N 3.48Å; L221-T262 HydrophobicContact CB-CG2 3.87Å; L221-T262 HydrophobicContact CD2-CG2 4.17Å; L221-T262 HydrophobicContact CG-CG2 4.26Å; L221-T262 WeakPolarHBondContact O-CG2 3.23Å | ||
| 222 | E | 75.8 | Confident | 66.2 | Low | 174 Ų | 174 | 77.2 Ų | 77.2 | 81% | 0.813 | 45% | 0.446 | S | S | * | . | trans | -85.1 | 140.5 | 179 | -164.1 | 175.1 | -176.2 | 0 | 0 | 110.8 | D220 G224 | D220-E222 PolarHBondContact O-N 3.29Å; D220-E222 VanDerWaalsContact O-N 3.12Å; E222-G224 PolarHBondContact O-N 3.11Å | ||
| 223 | L | 83.8 | Confident | 68.9 | Low | 30 Ų | 30 | 72.9 Ų | 72.9 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | trans | -80.6 | 114.6 | -177.7 | -160.3 | 67.1 | 0 | 0 | 0 | 109.7 | L196 L227 E228 L231 | L196-L223 HydrophobicContact CD1-CD1 3.88Å; L196-L223 HydrophobicContact CD2-CD1 4Å; L223-L227 HydrophobicContact CD1-CB 3.85Å; L223-L227 HydrophobicContact CD1-CD1 4.23Å; L223-L227 HydrophobicContact CG-CB 4.2Å; L223-E228 HydrophobicContact CB-CG 4.04Å; L223-E228 HydrophobicContact CD2-CB 4.47Å; L223-E228 HydrophobicContact CD2-CG 3.55Å; L223-E228 HydrophobicContact CG-CG 3.67Å; L223-L231 HydrophobicContact CD1-CD1 4.21Å; L223-L231 HydrophobicContact CD2-CD1 3.83Å | ||
| 224 | G | 85.8 | Confident | 71.9 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | trans | -72.8 | 155.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E222 F226 L227 E228 | E222-G224 PolarHBondContact O-N 3.11Å; G224-F226 VanDerWaalsContact C-N 3.26Å; G224-F226 PolarHBondContact O-N 3.24Å; G224-F226 VanDerWaalsContact O-N 3.08Å; G224-L227 PolarHBondContact O-N 3.11Å; G224-E228 PolarHBondContact O-N 3.29Å | ||
| 225 | Y | 89.3 | Confident | 74.7 | Confident | 32 Ų | 32 | 58 Ų | 58 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -45 | -43.9 | -179.3 | 169.7 | -106 | 0 | 0 | 0 | 114.6 | I62 Q64 L150 T229 | I62-Y225 HydrophobicContact CB-CD1 3.81Å; I62-Y225 HydrophobicContact CB-CD2 4.37Å; I62-Y225 HydrophobicContact CB-CE1 4.28Å; I62-Y225 HydrophobicContact CB-CG 3.86Å; I62-Y225 HydrophobicContact CD1-CD1 4.26Å; I62-Y225 HydrophobicContact CG2-CD1 3.72Å; I62-Y225 HydrophobicContact CG2-CD2 4.27Å; I62-Y225 HydrophobicContact CG2-CE1 3.65Å; I62-Y225 HydrophobicContact CG2-CE2 4.22Å; I62-Y225 HydrophobicContact CG2-CG 4.04Å; I62-Y225 WeakPolarHBondContact O-CD2 3.46Å; Q64-Y225 HydrophobicContact CB-CE2 4.38Å; L150-Y225 HydrophobicContact CD1-CE1 4Å; Y225-T229 VanDerWaalsContact O-CB 3.31Å; Y225-T229 WeakPolarHBondContact O-CB 3.47Å; Y225-T229 PolarHBondContact O-N 3.07Å; Y225-T229 PolarHBondContact O-OG1 3.03Å |
| 226 | F | 91.4 | Very high | 77.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | -178.3 | -63.2 | -69.4 | 0 | 0 | 0 | 112.4 | L57 I62 K105 Y108 E143 A146 T147 L150 G224 T229 G230 | L57-F226 HydrophobicContact CD1-CE2 4.3Å; I62-F226 HydrophobicContact CD1-CE2 4.13Å; I62-F226 HydrophobicContact CD1-CZ 3.83Å; K105-F226 HydrophobicContact CD-CE2 4.1Å; K105-F226 HydrophobicContact CG-CE2 4.21Å; K105-F226 HydrophobicContact CG-CZ 4.21Å; Y108-F226 AromaticContact CD1-CE1 3.73Å; Y108-F226 HydrophobicContact CD1-CE1 3.73Å; Y108-F226 AromaticContact CD1-CZ 3.93Å; Y108-F226 HydrophobicContact CD1-CZ 3.93Å; Y108-F226 AromaticContact CE1-CE1 3.59Å; Y108-F226 HydrophobicContact CE1-CE1 3.59Å; Y108-F226 HydrophobicContact CE1-CZ 4.01Å; E143-F226 HydrophobicContact CB-CB 4.06Å; E143-F226 HydrophobicContact CG-CB 3.88Å; A146-F226 HydrophobicContact CB-CB 4.42Å; A146-F226 VanDerWaalsContact CB-O 3.25Å; A146-F226 WeakPolarHBondContact CB-O 3.4Å; T147-F226 VanDerWaalsContact OG1-CD1 3.31Å; T147-F226 WeakPolarHBondContact OG1-CD1 3.38Å; T147-F226 WeakPolarHBondContact OG1-CE1 3.3Å; L150-F226 HydrophobicContact CD1-CD1 4.1Å; L150-F226 HydrophobicContact CD1-CE1 4.25Å; G224-F226 VanDerWaalsContact C-N 3.26Å; G224-F226 PolarHBondContact O-N 3.24Å; G224-F226 VanDerWaalsContact O-N 3.08Å; F226-T229 PolarHBondContact O-N 3.44Å; F226-G230 PolarHBondContact O-N 3.04Å |
| 227 | L | 91.2 | Very high | 80.5 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71 | -41.2 | 176.6 | -65 | 178 | 0 | 0 | 0 | 111.2 | A142 E143 A192 Y195 L223 G224 T229 G230 L231 | A142-L227 HydrophobicContact CB-CD2 3.77Å; E143-L227 HydrophobicContact CG-CD2 3.85Å; E143-L227 HydrophobicContact CG-CG 4.06Å; A192-L227 HydrophobicContact CB-CD2 4Å; Y195-L227 HydrophobicContact CD1-CD1 4.05Å; Y195-L227 HydrophobicContact CE1-CD1 3.63Å; L223-L227 HydrophobicContact CD1-CB 3.85Å; L223-L227 HydrophobicContact CD1-CD1 4.23Å; L223-L227 HydrophobicContact CG-CB 4.2Å; G224-L227 PolarHBondContact O-N 3.11Å; L227-T229 VanDerWaalsContact C-N 3.32Å; L227-T229 PolarHBondContact O-N 3.13Å; L227-G230 PolarHBondContact O-N 3.17Å; L227-L231 WeakPolarHBondContact O-CB 3.42Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.9Å |
| 228 | E | 91.3 | Very high | 83 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 171.5 | -71.5 | -174.5 | 154.5 | 0 | 0 | 111.4 | L223 G224 L231 Q232 | L223-E228 HydrophobicContact CB-CG 4.04Å; L223-E228 HydrophobicContact CD2-CB 4.47Å; L223-E228 HydrophobicContact CD2-CG 3.55Å; L223-E228 HydrophobicContact CG-CG 3.67Å; G224-E228 PolarHBondContact O-N 3.29Å; E228-L231 PolarHBondContact O-N 3.16Å; E228-Q232 WeakPolarHBondContact O-CB 3.19Å; E228-Q232 PolarHBondContact O-N 3.07Å |
| 229 | T | 92.3 | Very high | 85.2 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 177 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | L150 Y185 Y225 F226 L227 L231 Q232 R233 | L150-T229 HydrophobicContact CD1-CG2 4.12Å; L150-T229 HydrophobicContact CD2-CG2 4.04Å; L150-T229 HydrophobicContact CG-CG2 4.16Å; Y185-T229 HydrophobicContact CD1-CG2 4.44Å; Y185-T229 HydrophobicContact CE1-CG2 3.85Å; Y225-T229 VanDerWaalsContact O-CB 3.31Å; Y225-T229 WeakPolarHBondContact O-CB 3.47Å; Y225-T229 PolarHBondContact O-N 3.07Å; Y225-T229 PolarHBondContact O-OG1 3.03Å; F226-T229 PolarHBondContact O-N 3.44Å; L227-T229 VanDerWaalsContact C-N 3.32Å; L227-T229 PolarHBondContact O-N 3.13Å; T229-L231 VanDerWaalsContact C-N 3.33Å; T229-L231 PolarHBondContact O-N 3.3Å; T229-Q232 PolarHBondContact O-N 2.88Å; T229-R233 HydrophobicContact CG2-CB 4.02Å; T229-R233 HydrophobicContact CG2-CG 4.44Å; T229-R233 WeakPolarHBondContact O-CB 3.29Å; T229-R233 PolarHBondContact O-N 2.8Å |
| 230 | G | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y185 S188 G189 F226 L227 | Y185-G230 VanDerWaalsContact O-O 3.09Å; S188-G230 VanDerWaalsContact OG-CA 3.31Å; S188-G230 WeakPolarHBondContact OG-CA 3.33Å; G189-G230 WeakPolarHBondContact CA-O 3.21Å; G189-G230 PolarHBondContact N-O 3.41Å; F226-G230 PolarHBondContact O-N 3.04Å; L227-G230 PolarHBondContact O-N 3.17Å |
| 231 | L | 93.1 | Very high | 88 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -38.2 | -179.9 | -73.9 | 164.1 | 0 | 0 | 0 | 112.9 | A192 L193 L196 L223 L227 E228 T229 L266 | A192-L231 HydrophobicContact CB-CD2 4.18Å; A192-L231 HydrophobicContact CB-CG 4.15Å; L193-L231 HydrophobicContact CD2-CD2 3.81Å; L193-L231 HydrophobicContact CG-CD2 3.74Å; L196-L231 HydrophobicContact CD1-CD1 4.3Å; L223-L231 HydrophobicContact CD1-CD1 4.21Å; L223-L231 HydrophobicContact CD2-CD1 3.83Å; L227-L231 WeakPolarHBondContact O-CB 3.42Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.9Å; E228-L231 PolarHBondContact O-N 3.16Å; T229-L231 VanDerWaalsContact C-N 3.33Å; T229-L231 PolarHBondContact O-N 3.3Å; L231-L266 HydrophobicContact CB-CD2 3.91Å; L231-L266 HydrophobicContact CD1-CD2 3.99Å; L231-L266 HydrophobicContact CD2-CD2 4.37Å; L231-L266 HydrophobicContact CG-CD2 4.32Å |
| 232 | Q | 92.4 | Very high | 88.4 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -100.2 | -34.2 | -169.5 | -64.1 | 178.3 | 13.7 | 0 | 0 | 114.8 | E228 T229 A234 H235 V236 L266 | E228-Q232 WeakPolarHBondContact O-CB 3.19Å; E228-Q232 PolarHBondContact O-N 3.07Å; T229-Q232 PolarHBondContact O-N 2.88Å; Q232-A234 VanDerWaalsContact C-N 3.33Å; Q232-A234 PolarHBondContact O-N 2.99Å; Q232-H235 VanDerWaalsContact CA-NE2 3.35Å; Q232-H235 WeakPolarHBondContact CA-NE2 3.35Å; Q232-H235 PolarHBondContact O-CD2 2.95Å; Q232-H235 PolarHBondContact O-CE1 3.42Å; Q232-H235 PolarHBondContact O-ND1 3.29Å; Q232-H235 PolarHBondContact O-NE2 3.04Å; Q232-V236 WeakPolarHBondContact O-CG2 3.46Å; Q232-V236 PolarHBondContact O-N 3.35Å; Q232-L266 HydrophobicContact CG-CD1 3.8Å |
| 233 | R | 92.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 33 Ų | 33 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -33.4 | -165.1 | -171.5 | 57.4 | 168.7 | -166.8 | -3.9 | 113.3 | E153 Y185 T229 V236 I237 | E153-R233 IonicContact OE1-CZ 3.81Å; E153-R233 IonicContact OE1-NE 3.34Å; E153-R233 PolarHBondContact OE1-NE 2.95Å; E153-R233 IonicContact OE1-NH2 3.24Å; E153-R233 PolarHBondContact OE1-NH2 3.27Å; E153-R233 IonicContact OE2-CZ 3.12Å; E153-R233 IonicContact OE2-NE 3.21Å; E153-R233 IonicContact OE2-NH2 3.47Å; E153-R233 PolarHBondContact OE2-NH2 3.35Å; Y185-R233 HydrophobicContact CD1-CB 3.9Å; Y185-R233 HydrophobicContact CD1-CG 4.11Å; Y185-R233 HydrophobicContact CD2-CB 4.03Å; Y185-R233 HydrophobicContact CD2-CG 3.62Å; Y185-R233 HydrophobicContact CE1-CB 4.05Å; Y185-R233 HydrophobicContact CE1-CG 3.88Å; Y185-R233 HydrophobicContact CE2-CB 4.14Å; Y185-R233 HydrophobicContact CE2-CG 3.32Å; Y185-R233 HydrophobicContact CG-CB 3.89Å; Y185-R233 HydrophobicContact CG-CG 3.99Å; Y185-R233 VanDerWaalsContact CZ-CG 3.45Å; T229-R233 HydrophobicContact CG2-CB 4.02Å; T229-R233 HydrophobicContact CG2-CG 4.44Å; T229-R233 WeakPolarHBondContact O-CB 3.29Å; T229-R233 PolarHBondContact O-N 2.8Å; R233-V236 PolarHBondContact O-N 3.15Å; R233-I237 HydrophobicContact CG-CD1 3.94Å; R233-I237 HydrophobicContact CG-CG1 4.41Å; R233-I237 WeakPolarHBondContact O-CG1 3.46Å; R233-I237 PolarHBondContact O-N 3.04Å |
| 234 | A | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.9 | -55.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E186 Q232 V236 I237 H238 | E186-A234 HydrophobicContact CG-CB 3.86Å; Q232-A234 VanDerWaalsContact C-N 3.33Å; Q232-A234 PolarHBondContact O-N 2.99Å; A234-V236 VanDerWaalsContact C-N 3.33Å; A234-V236 PolarHBondContact O-N 3.36Å; A234-I237 PolarHBondContact O-N 3.44Å; A234-H238 PolarHBondContact O-CD2 3.25Å; A234-H238 VanDerWaalsContact O-CD2 3.22Å; A234-H238 PolarHBondContact O-N 2.97Å; A234-H238 VanDerWaalsContact O-N 3.1Å |
| 235 | H | 90.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -32 | -179.4 | 61.3 | 70.7 | 0 | 0 | 0 | 112.1 | Q232 I237 H238 F239 R250 F251 | Q232-H235 VanDerWaalsContact CA-NE2 3.35Å; Q232-H235 WeakPolarHBondContact CA-NE2 3.35Å; Q232-H235 PolarHBondContact O-CD2 2.95Å; Q232-H235 PolarHBondContact O-CE1 3.42Å; Q232-H235 PolarHBondContact O-ND1 3.29Å; Q232-H235 PolarHBondContact O-NE2 3.04Å; H235-I237 VanDerWaalsContact C-N 3.32Å; H235-I237 PolarHBondContact O-N 3.26Å; H235-H238 PolarHBondContact O-N 3.35Å; H235-F239 HydrophobicContact CB-CD2 4.49Å; H235-F239 HydrophobicContact CB-CE2 4.13Å; H235-F239 WeakPolarHBondContact O-CD2 3.32Å; H235-F239 PolarHBondContact O-N 3.19Å; H235-R250 HydrophobicContact CB-CB 3.93Å; H235-F251 HydrophobicContact CB-CD1 4.12Å; H235-F251 HydrophobicContact CB-CE1 4.06Å; H235-F251 AromaticContact CD2-CD1 3.97Å; H235-F251 AromaticContact CD2-CE1 3.79Å; H235-F251 AromaticContact CE1-CE1 3.61Å; H235-F251 AromaticContact CG-CD1 3.88Å; H235-F251 AromaticContact CG-CE1 3.52Å; H235-F251 AromaticContact ND1-CE1 3.39Å; H235-F251 WeakPolarHBondContact ND1-CE1 3.43Å; H235-F251 AromaticContact NE2-CE1 3.82Å |
| 236 | V | 91.7 | Very high | 88.6 | Confident | 48 Ų | 48 | 32.7 Ų | 32.7 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | Q232 R233 A234 K240 | Q232-V236 WeakPolarHBondContact O-CG2 3.46Å; Q232-V236 PolarHBondContact O-N 3.35Å; R233-V236 PolarHBondContact O-N 3.15Å; A234-V236 VanDerWaalsContact C-N 3.33Å; A234-V236 PolarHBondContact O-N 3.36Å; V236-K240 HydrophobicContact CG1-CD 4.3Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 VanDerWaalsContact O-CG 3.31Å; V236-K240 WeakPolarHBondContact O-CG 3.36Å; V236-K240 PolarHBondContact O-N 3.33Å |
| 237 | I | 89.1 | Confident | 88.5 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 10% | 0.097 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 176.6 | -65.6 | 167.7 | 0 | 0 | 0 | 110.6 | I181 I182 Y185 R233 A234 H235 F239 K240 N241 | I181-I237 HydrophobicContact CG2-CD1 4.08Å; I182-I237 HydrophobicContact CD1-CG2 3.78Å; I182-I237 HydrophobicContact CG1-CB 4.27Å; I182-I237 HydrophobicContact CG1-CD1 4.48Å; I182-I237 HydrophobicContact CG1-CG2 3.68Å; Y185-I237 HydrophobicContact CD2-CD1 3.84Å; Y185-I237 HydrophobicContact CE2-CD1 3.76Å; R233-I237 HydrophobicContact CG-CD1 3.94Å; R233-I237 HydrophobicContact CG-CG1 4.41Å; R233-I237 WeakPolarHBondContact O-CG1 3.46Å; R233-I237 PolarHBondContact O-N 3.04Å; A234-I237 PolarHBondContact O-N 3.44Å; H235-I237 VanDerWaalsContact C-N 3.32Å; H235-I237 PolarHBondContact O-N 3.26Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 PolarHBondContact O-N 3.35Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-K240 VanDerWaalsContact O-N 3.16Å; I237-N241 WeakPolarHBondContact O-CB 3.02Å; I237-N241 VanDerWaalsContact O-CG 3.28Å; I237-N241 PolarHBondContact O-N 3Å; I237-N241 PolarHBondContact O-OD1 3.38Å |
| 238 | H | 86.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.9 | -47.5 | 177 | -73.6 | -52 | 0 | 0 | 0 | 112.1 | I182 E186 A234 H235 N241 G242 N243 R246 | I182-H238 VanDerWaalsContact CG2-CE1 3.45Å; I182-H238 WeakPolarHBondContact CG2-CE1 3.45Å; I182-H238 WeakPolarHBondContact CG2-NE2 3.42Å; E186-H238 IonicContact OE1-CD2 3.72Å; E186-H238 IonicContact OE1-CE1 3.12Å; E186-H238 IonicContact OE1-NE2 3.26Å; E186-H238 PolarHBondContact OE1-NE2 2.86Å; A234-H238 PolarHBondContact O-CD2 3.25Å; A234-H238 VanDerWaalsContact O-CD2 3.22Å; A234-H238 PolarHBondContact O-N 2.97Å; A234-H238 VanDerWaalsContact O-N 3.1Å; H235-H238 PolarHBondContact O-N 3.35Å; H238-N241 PolarHBondContact O-N 3.05Å; H238-G242 PolarHBondContact O-N 2.9Å; H238-N243 PolarHBondContact O-N 2.88Å; H238-R246 HydrophobicContact CB-CB 4.41Å |
| 239 | F | 88.1 | Confident | 88.5 | Confident | 53 Ų | 53 | 28.3 Ų | 28.3 | 23% | 0.232 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.4 | -36.3 | 177.4 | -66.5 | -54.6 | 0 | 0 | 0 | 113.4 | H235 I237 N241 G242 L244 F251 I277 | H235-F239 HydrophobicContact CB-CD2 4.49Å; H235-F239 HydrophobicContact CB-CE2 4.13Å; H235-F239 WeakPolarHBondContact O-CD2 3.32Å; H235-F239 PolarHBondContact O-N 3.19Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 PolarHBondContact O-N 3.35Å; F239-N241 PolarHBondContact O-N 2.86Å; F239-G242 PolarHBondContact O-N 3.25Å; F239-G242 VanDerWaalsContact O-N 3.15Å; F239-L244 HydrophobicContact CD1-CD1 4.08Å; F239-L244 HydrophobicContact CE1-CD1 4.46Å; F239-L244 HydrophobicContact CE1-CG 4.41Å; F239-F251 HydrophobicContact CD2-CZ 4.39Å; F239-F251 HydrophobicContact CE2-CD1 4.39Å; F239-F251 HydrophobicContact CE2-CD2 4.04Å; F239-F251 AromaticContact CE2-CE1 3.9Å; F239-F251 HydrophobicContact CE2-CE1 3.9Å; F239-F251 AromaticContact CE2-CE2 3.48Å; F239-F251 HydrophobicContact CE2-CE2 3.48Å; F239-F251 VanDerWaalsContact CE2-CE2 3.48Å; F239-F251 HydrophobicContact CE2-CG 4.49Å; F239-F251 AromaticContact CE2-CZ 3.43Å; F239-F251 HydrophobicContact CE2-CZ 3.43Å; F239-F251 VanDerWaalsContact CE2-CZ 3.43Å; F239-F251 AromaticContact CZ-CD2 3.84Å; F239-F251 HydrophobicContact CZ-CD2 3.84Å; F239-F251 AromaticContact CZ-CE2 3.59Å; F239-F251 HydrophobicContact CZ-CE2 3.59Å; F239-F251 HydrophobicContact CZ-CG 4.47Å; F239-F251 HydrophobicContact CZ-CZ 4.05Å; F239-I277 HydrophobicContact CD1-CD1 4.38Å; F239-I277 HydrophobicContact CE1-CD1 3.51Å; F239-I277 HydrophobicContact CE2-CD1 4.2Å; F239-I277 HydrophobicContact CZ-CD1 3.39Å |
| 240 | K | 86.5 | Confident | 88.5 | Confident | 137 Ų | 137 | 27.9 Ų | 27.9 | 60% | 0.596 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -62 | -34 | 173.7 | -79.8 | -179.5 | 177.1 | -172.1 | 0 | 112.6 | V236 I237 G242 | V236-K240 HydrophobicContact CG1-CD 4.3Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 VanDerWaalsContact O-CG 3.31Å; V236-K240 WeakPolarHBondContact O-CG 3.36Å; V236-K240 PolarHBondContact O-N 3.33Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-K240 VanDerWaalsContact O-N 3.16Å; K240-G242 PolarHBondContact O-N 3.15Å |
| 241 | N | 82.4 | Confident | 88.6 | Confident | 40 Ų | 40 | 28 Ų | 28 | 21% | 0.214 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.9 | 179.3 | -65 | -2.1 | 0 | 0 | 0 | 112.9 | I237 H238 F239 N243 | I237-N241 WeakPolarHBondContact O-CB 3.02Å; I237-N241 VanDerWaalsContact O-CG 3.28Å; I237-N241 PolarHBondContact O-N 3Å; I237-N241 PolarHBondContact O-OD1 3.38Å; H238-N241 PolarHBondContact O-N 3.05Å; F239-N241 PolarHBondContact O-N 2.86Å; N241-N243 PolarHBondContact O-N 3.25Å |
| 242 | G | 78.9 | Confident | 88.7 | Confident | 34 Ų | 34 | 28.5 Ų | 28.5 | 35% | 0.351 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 12.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H238 F239 K240 L244 | H238-G242 PolarHBondContact O-N 2.9Å; F239-G242 PolarHBondContact O-N 3.25Å; F239-G242 VanDerWaalsContact O-N 3.15Å; K240-G242 PolarHBondContact O-N 3.15Å; G242-L244 PolarHBondContact O-N 3.01Å |
| 243 | N | 82.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | trans | -87.8 | 82 | 178.6 | -167.1 | -38.3 | 0 | 0 | 0 | 109.8 | H238 N241 T245 R246 G247 | H238-N243 PolarHBondContact O-N 2.88Å; N241-N243 PolarHBondContact O-N 3.25Å; N243-T245 PolarHBondContact OD1-OG1 3.47Å; N243-T245 VanDerWaalsContact OD1-OG1 3.06Å; N243-R246 WeakPolarHBondContact ND2-CD 3.49Å; N243-R246 VanDerWaalsContact OD1-CB 3.31Å; N243-R246 WeakPolarHBondContact OD1-CB 3.49Å; N243-R246 VanDerWaalsContact OD1-CG 3.28Å; N243-R246 WeakPolarHBondContact OD1-CG 3.34Å; N243-R246 PolarHBondContact OD1-N 2.59Å; N243-R246 VanDerWaalsContact OD1-N 3.12Å; N243-G247 PolarHBondContact O-N 3.46Å | ||
| 244 | L | 83.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 24.4 Ų | 24.4 | 22% | 0.22 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.4 | -37.2 | -173.2 | -119.2 | 70.8 | 0 | 0 | 0 | 111.6 | F239 G242 G247 V248 I277 L300 D301 | F239-L244 HydrophobicContact CD1-CD1 4.08Å; F239-L244 HydrophobicContact CE1-CD1 4.46Å; F239-L244 HydrophobicContact CE1-CG 4.41Å; G242-L244 PolarHBondContact O-N 3.01Å; L244-G247 PolarHBondContact O-N 2.68Å; L244-V248 WeakPolarHBondContact O-CB 3.43Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.25Å; L244-V248 PolarHBondContact O-N 2.69Å; L244-I277 HydrophobicContact CD2-CG2 4.22Å; L244-L300 HydrophobicContact CB-CB 4.34Å; L244-D301 PolarHBondContact N-OD1 2.71Å |
| 245 | T | 85.9 | Confident | 89 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -48.7 | -179.1 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | N243 G249 W288 S298 D301 | N243-T245 PolarHBondContact OD1-OG1 3.47Å; N243-T245 VanDerWaalsContact OD1-OG1 3.06Å; T245-G249 PolarHBondContact O-N 3.31Å; T245-W288 HydrophobicContact CG2-CH2 4.28Å; T245-W288 HydrophobicContact CG2-CZ3 4.47Å; T245-S298 WeakPolarHBondContact CG2-OG 3.32Å; T245-D301 WeakPolarHBondContact CB-OD2 3.49Å; T245-D301 WeakPolarHBondContact CG2-OD2 3.3Å; T245-D301 PolarHBondContact OG1-OD2 2.72Å |
| 246 | R | 85.5 | Confident | 89.2 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 177.6 | -67.3 | -172.5 | -179.5 | -178 | -3.5 | 112.2 | H238 N243 G249 R250 Y310 | H238-R246 HydrophobicContact CB-CB 4.41Å; N243-R246 WeakPolarHBondContact ND2-CD 3.49Å; N243-R246 VanDerWaalsContact OD1-CB 3.31Å; N243-R246 WeakPolarHBondContact OD1-CB 3.49Å; N243-R246 VanDerWaalsContact OD1-CG 3.28Å; N243-R246 WeakPolarHBondContact OD1-CG 3.34Å; N243-R246 PolarHBondContact OD1-N 2.59Å; N243-R246 VanDerWaalsContact OD1-N 3.12Å; R246-G249 PolarHBondContact O-N 3.48Å; R246-R250 WeakPolarHBondContact O-CG 3.32Å; R246-R250 PolarHBondContact O-N 3.27Å; R246-Y310 HydrophobicContact CG-CD2 4.19Å; R246-Y310 HydrophobicContact CG-CE2 4.46Å |
| 247 | G | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N243 L244 R250 F251 | N243-G247 PolarHBondContact O-N 3.46Å; L244-G247 PolarHBondContact O-N 2.68Å; G247-R250 PolarHBondContact O-N 3.31Å; G247-F251 PolarHBondContact O-N 2.67Å |
| 248 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L244 R250 F251 R252 L274 I277 M282 W288 | L244-V248 WeakPolarHBondContact O-CB 3.43Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.25Å; L244-V248 PolarHBondContact O-N 2.69Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 3.19Å; V248-F251 WeakPolarHBondContact O-CB 3.41Å; V248-F251 PolarHBondContact O-N 3.28Å; V248-R252 HydrophobicContact CG1-CG 4.48Å; V248-R252 WeakPolarHBondContact O-CG 3.5Å; V248-R252 PolarHBondContact O-N 3.32Å; V248-L274 HydrophobicContact CB-CD1 4.37Å; V248-L274 HydrophobicContact CG1-CD1 3.85Å; V248-L274 HydrophobicContact CG2-CD1 4.1Å; V248-I277 HydrophobicContact CG2-CG2 3.85Å; V248-M282 HydrophobicContact CG2-SD 4.32Å; V248-W288 HydrophobicContact CB-CH2 3.9Å; V248-W288 HydrophobicContact CB-CZ2 4.17Å; V248-W288 HydrophobicContact CG1-CH2 3.65Å; V248-W288 HydrophobicContact CG1-CZ2 3.7Å |
| 249 | G | 90.9 | Very high | 90 | Very high | 4 Ų | 4 | 31 Ų | 31 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T245 R246 F251 R252 E253 | T245-G249 PolarHBondContact O-N 3.31Å; R246-G249 PolarHBondContact O-N 3.48Å; G249-F251 PolarHBondContact O-N 3Å; G249-R252 PolarHBondContact O-N 3.03Å; G249-E253 VanDerWaalsContact O-CG 3.31Å; G249-E253 WeakPolarHBondContact O-CG 3.42Å; G249-E253 PolarHBondContact O-N 3.3Å |
| 250 | R | 91.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.2 | -72.6 | -55.6 | -58.2 | 178.5 | -6 | 113 | D190 H235 R246 G247 V248 E253 I254 | D190-R250 IonicContact OD1-CZ 2.59Å; D190-R250 VanDerWaalsContact OD1-CZ 3.3Å; D190-R250 IonicContact OD1-NH1 2.94Å; D190-R250 PolarHBondContact OD1-NH1 3.44Å; D190-R250 IonicContact OD1-NH2 3.57Å; D190-R250 PolarHBondContact OD1-NH2 3.43Å; D190-R250 IonicContact OD2-NH1 3.99Å; H235-R250 HydrophobicContact CB-CB 3.93Å; R246-R250 WeakPolarHBondContact O-CG 3.32Å; R246-R250 PolarHBondContact O-N 3.27Å; G247-R250 PolarHBondContact O-N 3.31Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 3.19Å; R250-E253 IonicContact CZ-OE2 3.61Å; R250-E253 IonicContact NE-OE2 3.37Å; R250-E253 IonicContact NH1-OE2 3.59Å; R250-E253 PolarHBondContact NH1-OE2 3.24Å; R250-E253 PolarHBondContact O-N 2.93Å; R250-I254 WeakPolarHBondContact O-CG1 3.35Å; R250-I254 PolarHBondContact O-N 3.36Å; R250-I254 VanDerWaalsContact O-N 3.11Å |
| 251 | F | 95.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 172.8 | -78.6 | -11.3 | 0 | 0 | 0 | 112.3 | H235 F239 G247 V248 G249 E253 I254 L255 I270 Q273 L274 I277 | H235-F251 HydrophobicContact CB-CD1 4.12Å; H235-F251 HydrophobicContact CB-CE1 4.06Å; H235-F251 AromaticContact CD2-CD1 3.97Å; H235-F251 AromaticContact CD2-CE1 3.79Å; H235-F251 AromaticContact CE1-CE1 3.61Å; H235-F251 AromaticContact CG-CD1 3.88Å; H235-F251 AromaticContact CG-CE1 3.52Å; H235-F251 AromaticContact ND1-CE1 3.39Å; H235-F251 WeakPolarHBondContact ND1-CE1 3.43Å; H235-F251 AromaticContact NE2-CE1 3.82Å; F239-F251 HydrophobicContact CD2-CZ 4.39Å; F239-F251 HydrophobicContact CE2-CD1 4.39Å; F239-F251 HydrophobicContact CE2-CD2 4.04Å; F239-F251 AromaticContact CE2-CE1 3.9Å; F239-F251 HydrophobicContact CE2-CE1 3.9Å; F239-F251 AromaticContact CE2-CE2 3.48Å; F239-F251 HydrophobicContact CE2-CE2 3.48Å; F239-F251 VanDerWaalsContact CE2-CE2 3.48Å; F239-F251 HydrophobicContact CE2-CG 4.49Å; F239-F251 AromaticContact CE2-CZ 3.43Å; F239-F251 HydrophobicContact CE2-CZ 3.43Å; F239-F251 VanDerWaalsContact CE2-CZ 3.43Å; F239-F251 AromaticContact CZ-CD2 3.84Å; F239-F251 HydrophobicContact CZ-CD2 3.84Å; F239-F251 AromaticContact CZ-CE2 3.59Å; F239-F251 HydrophobicContact CZ-CE2 3.59Å; F239-F251 HydrophobicContact CZ-CG 4.47Å; F239-F251 HydrophobicContact CZ-CZ 4.05Å; G247-F251 PolarHBondContact O-N 2.67Å; V248-F251 WeakPolarHBondContact O-CB 3.41Å; V248-F251 PolarHBondContact O-N 3.28Å; G249-F251 PolarHBondContact O-N 3Å; F251-E253 PolarHBondContact O-N 3.46Å; F251-I254 PolarHBondContact O-N 3.34Å; F251-L255 WeakPolarHBondContact O-CB 3.41Å; F251-L255 WeakPolarHBondContact O-CG 3.46Å; F251-L255 PolarHBondContact O-N 2.97Å; F251-I270 HydrophobicContact CB-CG2 3.86Å; F251-I270 HydrophobicContact CD1-CB 4.47Å; F251-I270 HydrophobicContact CD1-CD1 4.42Å; F251-I270 HydrophobicContact CD1-CG1 4.3Å; F251-I270 HydrophobicContact CD1-CG2 3.51Å; F251-I270 HydrophobicContact CD2-CG2 4.39Å; F251-I270 HydrophobicContact CE1-CD1 4.47Å; F251-I270 HydrophobicContact CE1-CG1 4.07Å; F251-I270 HydrophobicContact CE1-CG2 3.97Å; F251-I270 HydrophobicContact CG-CG2 3.71Å; F251-Q273 HydrophobicContact CE2-CB 3.83Å; F251-Q273 HydrophobicContact CZ-CB 3.92Å; F251-L274 HydrophobicContact CB-CB 4.32Å; F251-L274 HydrophobicContact CB-CD1 4.33Å; F251-L274 HydrophobicContact CB-CD2 4.12Å; F251-L274 HydrophobicContact CB-CG 4.49Å; F251-L274 HydrophobicContact CD2-CB 3.78Å; F251-L274 HydrophobicContact CD2-CD1 4.13Å; F251-L274 HydrophobicContact CD2-CG 4.46Å; F251-L274 HydrophobicContact CE2-CB 4.48Å; F251-L274 HydrophobicContact CG-CB 4.45Å; F251-I277 HydrophobicContact CD2-CD1 4.13Å; F251-I277 HydrophobicContact CE2-CD1 3.69Å |
| 252 | R | 94.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.5 | -73.2 | 174.4 | 170.1 | 177.8 | 2.2 | 111.9 | V248 G249 I254 L255 R256 L274 W288 E337 | V248-R252 HydrophobicContact CG1-CG 4.48Å; V248-R252 WeakPolarHBondContact O-CG 3.5Å; V248-R252 PolarHBondContact O-N 3.32Å; G249-R252 PolarHBondContact O-N 3.03Å; R252-I254 PolarHBondContact O-N 3.5Å; R252-L255 PolarHBondContact O-N 2.85Å; R252-R256 WeakPolarHBondContact O-CB 3.48Å; R252-R256 WeakPolarHBondContact O-CG 3.34Å; R252-R256 PolarHBondContact O-N 3.19Å; R252-L274 HydrophobicContact CG-CD2 3.99Å; R252-W288 VanDerWaalsContact CZ-O 3.24Å; R252-W288 PolarHBondContact NH1-O 3.17Å; R252-W288 PolarHBondContact NH2-O 2.83Å; R252-E337 IonicContact CZ-OE1 3.84Å; R252-E337 IonicContact CZ-OE2 3.89Å; R252-E337 IonicContact NE-OE1 2.88Å; R252-E337 PolarHBondContact NE-OE1 3.48Å; R252-E337 IonicContact NE-OE2 2.87Å; R252-E337 IonicContact NH2-OE1 2.76Å; R252-E337 IonicContact NH2-OE2 3.28Å; R252-E337 PolarHBondContact NH2-OE2 3.01Å |
| 253 | E | 92.7 | Very high | 91 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 18% | 0.178 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.9 | -74.7 | 175.4 | -161.7 | 0 | 0 | 112.4 | G249 R250 F251 A257 Y310 K312 | G249-E253 VanDerWaalsContact O-CG 3.31Å; G249-E253 WeakPolarHBondContact O-CG 3.42Å; G249-E253 PolarHBondContact O-N 3.3Å; R250-E253 IonicContact CZ-OE2 3.61Å; R250-E253 IonicContact NE-OE2 3.37Å; R250-E253 IonicContact NH1-OE2 3.59Å; R250-E253 PolarHBondContact NH1-OE2 3.24Å; R250-E253 PolarHBondContact O-N 2.93Å; F251-E253 PolarHBondContact O-N 3.46Å; E253-A257 PolarHBondContact O-N 3.24Å; E253-Y310 PolarHBondContact OE1-OH 2.8Å; E253-K312 VanDerWaalsContact CD-NZ 3.3Å; E253-K312 WeakPolarHBondContact OE1-CE 3.3Å; E253-K312 IonicContact OE1-NZ 3.07Å; E253-K312 PolarHBondContact OE1-NZ 3.06Å; E253-K312 WeakPolarHBondContact OE2-CE 3.18Å; E253-K312 IonicContact OE2-NZ 3.53Å; E253-K312 PolarHBondContact OE2-NZ 2.89Å |
| 254 | I | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 178.1 | -65.2 | 165.6 | 0 | 0 | 0 | 110.9 | L193 R250 F251 R252 A257 L266 I270 | L193-I254 HydrophobicContact CD1-CG1 4.41Å; R250-I254 WeakPolarHBondContact O-CG1 3.35Å; R250-I254 PolarHBondContact O-N 3.36Å; R250-I254 VanDerWaalsContact O-N 3.11Å; F251-I254 PolarHBondContact O-N 3.34Å; R252-I254 PolarHBondContact O-N 3.5Å; I254-A257 PolarHBondContact O-N 3.48Å; I254-L266 HydrophobicContact CG2-CD2 4.38Å; I254-I270 HydrophobicContact CB-CD1 4.35Å; I254-I270 HydrophobicContact CD1-CD1 3.83Å; I254-I270 HydrophobicContact CG2-CD1 3.86Å |
| 255 | L | 95.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.2 | -32.3 | -178.1 | -73.6 | 169.7 | 0 | 0 | 0 | 113.5 | F251 R252 R267 I270 A271 L274 L341 | F251-L255 WeakPolarHBondContact O-CB 3.41Å; F251-L255 WeakPolarHBondContact O-CG 3.46Å; F251-L255 PolarHBondContact O-N 2.97Å; R252-L255 PolarHBondContact O-N 2.85Å; L255-R267 HydrophobicContact CD2-CB 4.11Å; L255-R267 HydrophobicContact CD2-CG 4.36Å; L255-R267 WeakPolarHBondContact CD2-O 3.41Å; L255-R267 PolarHBondContact O-NH2 3.49Å; L255-I270 HydrophobicContact CD1-CG2 3.93Å; L255-I270 HydrophobicContact CD2-CG2 4.27Å; L255-I270 HydrophobicContact CG-CG2 3.88Å; L255-A271 HydrophobicContact CD1-CB 4.47Å; L255-A271 HydrophobicContact CD2-CB 3.96Å; L255-L274 HydrophobicContact CD1-CD2 3.74Å; L255-L341 HydrophobicContact CD1-CD2 3.6Å |
| 256 | R | 95.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 33.3 Ų | 33.3 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -73.4 | -25.3 | 176.5 | -77.9 | -178.7 | 66 | -165.9 | -5.8 | 112.7 | R252 P290 L291 V322 Y323 | R252-R256 WeakPolarHBondContact O-CB 3.48Å; R252-R256 WeakPolarHBondContact O-CG 3.34Å; R252-R256 PolarHBondContact O-N 3.19Å; R256-P290 PolarHBondContact NH1-O 2.9Å; R256-L291 VanDerWaalsContact CZ-CD2 3.44Å; R256-L291 VanDerWaalsContact NH2-CD2 3.31Å; R256-V322 HydrophobicContact CB-CG1 3.92Å; R256-V322 CarbonylContact O-C 3.26Å; R256-V322 VanDerWaalsContact O-CA 3.29Å; R256-V322 WeakPolarHBondContact O-CA 3.39Å; R256-V322 WeakPolarHBondContact O-CG1 3.09Å; R256-Y323 VanDerWaalsContact O-CD2 3.24Å; R256-Y323 WeakPolarHBondContact O-CD2 3.44Å; R256-Y323 PolarHBondContact O-N 2.88Å |
| 257 | A | 95.3 | Very high | 92 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -60.4 | 138.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L193 E253 I254 E259 R321 Y323 | L193-A257 HydrophobicContact CD1-CB 3.93Å; L193-A257 HydrophobicContact CD2-CB 4.38Å; E253-A257 PolarHBondContact O-N 3.24Å; I254-A257 PolarHBondContact O-N 3.48Å; A257-E259 PolarHBondContact O-N 2.99Å; A257-R321 WeakPolarHBondContact CA-O 3.48Å; A257-Y323 WeakPolarHBondContact O-CE2 3.41Å |
| 258 | V | 94.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 33.6 Ų | 33.6 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -57.6 | 132.9 | 178.5 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | Q197 R321 Y323 | Q197-V258 PolarHBondContact NE2-O 2.93Å; V258-R321 HydrophobicContact CB-CB 4.49Å; V258-R321 HydrophobicContact CG2-CB 4.04Å; V258-R321 PolarHBondContact N-O 3.37Å; V258-Y323 HydrophobicContact CG1-CE1 4.43Å; V258-Y323 HydrophobicContact CG2-CD1 4.31Å; V258-Y323 HydrophobicContact CG2-CE1 4.36Å |
| 259 | E | 93.3 | Very high | 92 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 143.5 | -176.4 | -173.9 | 177.9 | 145.4 | 0 | 0 | 111.8 | A257 Q264 R267 Y323 | A257-E259 PolarHBondContact O-N 2.99Å; E259-Q264 HydrophobicContact CG-CG 4.1Å; E259-Q264 WeakPolarHBondContact OE1-CG 3.37Å; E259-Q264 PolarHBondContact OE1-NE2 3.05Å; E259-R267 VanDerWaalsContact CD-NH1 3.33Å; E259-R267 VanDerWaalsContact CG-NH1 3.35Å; E259-R267 IonicContact OE2-CZ 3.13Å; E259-R267 IonicContact OE2-NH1 2.98Å; E259-R267 PolarHBondContact OE2-NH1 3.45Å; E259-Y323 WeakPolarHBondContact CB-OH 3.45Å; E259-Y323 PolarHBondContact N-OH 3.29Å |
| 260 | T | 91.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -128.7 | 155.4 | 169.1 | 63.9 | 0 | 0 | 0 | 0 | 108.2 | L196 Q197 E200 T262 T263 Q264 | L196-T260 HydrophobicContact CB-CG2 4.35Å; Q197-T260 HydrophobicContact CB-CG2 4.3Å; Q197-T260 HydrophobicContact CG-CG2 3.67Å; E200-T260 VanDerWaalsContact OE2-CA 3.31Å; E200-T260 WeakPolarHBondContact OE2-CA 3.41Å; E200-T260 WeakPolarHBondContact OE2-CB 3.25Å; E200-T260 WeakPolarHBondContact OE2-CG2 3.5Å; T260-T262 PolarHBondContact O-N 3.25Å; T260-T262 VanDerWaalsContact O-N 3.14Å; T260-T262 PolarHBondContact OG1-OG1 3.46Å; T260-T262 VanDerWaalsContact OG1-OG1 3.12Å; T260-T263 PolarHBondContact N-OG1 2.73Å; T260-T263 VanDerWaalsContact N-OG1 3.1Å; T260-T263 PolarHBondContact O-N 3.27Å; T260-T263 PolarHBondContact O-OG1 3.26Å; T260-T263 VanDerWaalsContact O-OG1 3.11Å; T260-T263 VanDerWaalsContact OG1-CG2 3.28Å; T260-T263 WeakPolarHBondContact OG1-CG2 3.22Å; T260-T263 PolarHBondContact OG1-N 3.05Å; T260-T263 PolarHBondContact OG1-OG1 2.91Å; T260-Q264 PolarHBondContact O-N 3.18Å | ||
| 261 | R | 88.3 | Confident | 92.4 | Very high | 161 Ų | 161 | 35.3 Ų | 35.3 | 61% | 0.608 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -50.6 | -40.4 | 177.3 | -71.9 | 170.1 | -167.6 | -164.2 | 2.2 | 113 | E200 T263 | E200-R261 VanDerWaalsContact OE1-CG 3.28Å; E200-R261 WeakPolarHBondContact OE1-CG 3.49Å; E200-R261 PolarHBondContact OE1-N 3.05Å; E200-R261 IonicContact OE1-NE 3.85Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.02Å |
| 262 | T | 87.1 | Confident | 92.4 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -72.4 | -21.6 | -178.8 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | L221 T260 | L221-T262 HydrophobicContact CB-CG2 3.87Å; L221-T262 HydrophobicContact CD2-CG2 4.17Å; L221-T262 HydrophobicContact CG-CG2 4.26Å; L221-T262 WeakPolarHBondContact O-CG2 3.23Å; T260-T262 PolarHBondContact O-N 3.25Å; T260-T262 VanDerWaalsContact O-N 3.14Å; T260-T262 PolarHBondContact OG1-OG1 3.46Å; T260-T262 VanDerWaalsContact OG1-OG1 3.12Å |
| 263 | T | 90.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -95.9 | -2 | -179.5 | 58 | 0 | 0 | 0 | 0 | 113.6 | L193 L196 T260 R261 N265 L266 R267 | L193-T263 HydrophobicContact CD2-CG2 4.13Å; L196-T263 HydrophobicContact CD1-CG2 3.59Å; T260-T263 PolarHBondContact N-OG1 2.73Å; T260-T263 VanDerWaalsContact N-OG1 3.1Å; T260-T263 PolarHBondContact O-N 3.27Å; T260-T263 PolarHBondContact O-OG1 3.26Å; T260-T263 VanDerWaalsContact O-OG1 3.11Å; T260-T263 VanDerWaalsContact OG1-CG2 3.28Å; T260-T263 WeakPolarHBondContact OG1-CG2 3.22Å; T260-T263 PolarHBondContact OG1-N 3.05Å; T260-T263 PolarHBondContact OG1-OG1 2.91Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.02Å; T263-N265 PolarHBondContact O-N 3.36Å; T263-L266 PolarHBondContact O-N 3.25Å; T263-R267 WeakPolarHBondContact O-CB 3.3Å; T263-R267 VanDerWaalsContact O-CG 3.28Å; T263-R267 WeakPolarHBondContact O-CG 3.43Å; T263-R267 PolarHBondContact O-N 3.09Å |
| 264 | Q | 89.2 | Confident | 92.5 | Very high | 61 Ų | 61 | 39 Ų | 39 | 29% | 0.285 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.6 | -52.1 | -174.9 | -70.7 | -177 | -28.5 | 0 | 0 | 113 | E259 T260 L266 R267 M268 | E259-Q264 HydrophobicContact CG-CG 4.1Å; E259-Q264 WeakPolarHBondContact OE1-CG 3.37Å; E259-Q264 PolarHBondContact OE1-NE2 3.05Å; T260-Q264 PolarHBondContact O-N 3.18Å; Q264-L266 VanDerWaalsContact C-N 3.35Å; Q264-L266 PolarHBondContact O-N 2.93Å; Q264-R267 PolarHBondContact O-N 3.2Å; Q264-M268 PolarHBondContact O-N 3.45Å |
| 265 | N | 87.4 | Confident | 92.6 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 56% | 0.556 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63.9 | -39.9 | -179.7 | -170.5 | 17.4 | 0 | 0 | 0 | 112.2 | T263 M268 T269 | T263-N265 PolarHBondContact O-N 3.36Å; N265-M268 PolarHBondContact O-N 3.09Å; N265-M268 WeakPolarHBondContact OD1-CE 3.47Å; N265-T269 WeakPolarHBondContact O-CG2 3.4Å; N265-T269 PolarHBondContact O-N 3.43Å; N265-T269 PolarHBondContact O-OG1 2.94Å |
| 266 | L | 90.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 174.4 | -179.3 | 63.8 | 0 | 0 | 0 | 111.4 | L231 Q232 I254 T263 Q264 T269 I270 | L231-L266 HydrophobicContact CB-CD2 3.91Å; L231-L266 HydrophobicContact CD1-CD2 3.99Å; L231-L266 HydrophobicContact CD2-CD2 4.37Å; L231-L266 HydrophobicContact CG-CD2 4.32Å; Q232-L266 HydrophobicContact CG-CD1 3.8Å; I254-L266 HydrophobicContact CG2-CD2 4.38Å; T263-L266 PolarHBondContact O-N 3.25Å; Q264-L266 VanDerWaalsContact C-N 3.35Å; Q264-L266 PolarHBondContact O-N 2.93Å; L266-T269 PolarHBondContact O-N 2.98Å; L266-T269 PolarHBondContact O-OG1 2.67Å; L266-I270 HydrophobicContact CD1-CD1 3.59Å; L266-I270 HydrophobicContact CD1-CG1 4.03Å; L266-I270 HydrophobicContact CD2-CD1 4.36Å; L266-I270 HydrophobicContact CG-CD1 3.73Å; L266-I270 HydrophobicContact CG-CG1 4.4Å; L266-I270 WeakPolarHBondContact O-CB 3.48Å; L266-I270 WeakPolarHBondContact O-CG1 3.28Å; L266-I270 PolarHBondContact O-N 2.93Å |
| 267 | R | 92.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 36 Ų | 36 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 179.6 | -71.2 | 177.7 | 77.3 | -118 | 2 | 111.8 | L255 E259 T263 Q264 A271 | L255-R267 HydrophobicContact CD2-CB 4.11Å; L255-R267 HydrophobicContact CD2-CG 4.36Å; L255-R267 WeakPolarHBondContact CD2-O 3.41Å; L255-R267 PolarHBondContact O-NH2 3.49Å; E259-R267 VanDerWaalsContact CD-NH1 3.33Å; E259-R267 VanDerWaalsContact CG-NH1 3.35Å; E259-R267 IonicContact OE2-CZ 3.13Å; E259-R267 IonicContact OE2-NH1 2.98Å; E259-R267 PolarHBondContact OE2-NH1 3.45Å; T263-R267 WeakPolarHBondContact O-CB 3.3Å; T263-R267 VanDerWaalsContact O-CG 3.28Å; T263-R267 WeakPolarHBondContact O-CG 3.43Å; T263-R267 PolarHBondContact O-N 3.09Å; Q264-R267 PolarHBondContact O-N 3.2Å; R267-A271 WeakPolarHBondContact O-CB 3.45Å; R267-A271 PolarHBondContact O-N 3.17Å |
| 268 | M | 90.7 | Very high | 92.4 | Very high | 26 Ų | 26 | 36 Ų | 36 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -51.4 | 173.8 | -177.7 | -178.4 | 69.5 | 0 | 0 | 111.2 | Q264 N265 A271 R272 S345 M348 A349 | Q264-M268 PolarHBondContact O-N 3.45Å; N265-M268 PolarHBondContact O-N 3.09Å; N265-M268 WeakPolarHBondContact OD1-CE 3.47Å; M268-A271 PolarHBondContact O-N 3.25Å; M268-R272 PolarHBondContact O-N 3.11Å; M268-R272 VanDerWaalsContact O-N 3.15Å; M268-S345 PolarHBondContact O-OG 3.02Å; M268-M348 HydrophobicContact CB-CB 4.07Å; M268-M348 HydrophobicContact CB-SD 3.85Å; M268-M348 HydrophobicContact CG-CB 3.96Å; M268-M348 HydrophobicContact SD-CB 3.95Å; M268-A349 HydrophobicContact SD-CB 3.98Å |
| 269 | T | 90.5 | Very high | 92.4 | Very high | 43 Ų | 43 | 34 Ų | 34 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.8 | -43.5 | -178.4 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | N265 L266 R272 Q273 | N265-T269 WeakPolarHBondContact O-CG2 3.4Å; N265-T269 PolarHBondContact O-N 3.43Å; N265-T269 PolarHBondContact O-OG1 2.94Å; L266-T269 PolarHBondContact O-N 2.98Å; L266-T269 PolarHBondContact O-OG1 2.67Å; T269-R272 PolarHBondContact O-N 3.45Å; T269-Q273 WeakPolarHBondContact O-CG 3.29Å; T269-Q273 PolarHBondContact O-N 3.43Å |
| 270 | I | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.6 | -71.2 | 178.7 | 0 | 0 | 0 | 111.3 | F251 I254 L255 L266 R272 Q273 L274 | F251-I270 HydrophobicContact CB-CG2 3.86Å; F251-I270 HydrophobicContact CD1-CB 4.47Å; F251-I270 HydrophobicContact CD1-CD1 4.42Å; F251-I270 HydrophobicContact CD1-CG1 4.3Å; F251-I270 HydrophobicContact CD1-CG2 3.51Å; F251-I270 HydrophobicContact CD2-CG2 4.39Å; F251-I270 HydrophobicContact CE1-CD1 4.47Å; F251-I270 HydrophobicContact CE1-CG1 4.07Å; F251-I270 HydrophobicContact CE1-CG2 3.97Å; F251-I270 HydrophobicContact CG-CG2 3.71Å; I254-I270 HydrophobicContact CB-CD1 4.35Å; I254-I270 HydrophobicContact CD1-CD1 3.83Å; I254-I270 HydrophobicContact CG2-CD1 3.86Å; L255-I270 HydrophobicContact CD1-CG2 3.93Å; L255-I270 HydrophobicContact CD2-CG2 4.27Å; L255-I270 HydrophobicContact CG-CG2 3.88Å; L266-I270 HydrophobicContact CD1-CD1 3.59Å; L266-I270 HydrophobicContact CD1-CG1 4.03Å; L266-I270 HydrophobicContact CD2-CD1 4.36Å; L266-I270 HydrophobicContact CG-CD1 3.73Å; L266-I270 HydrophobicContact CG-CG1 4.4Å; L266-I270 WeakPolarHBondContact O-CB 3.48Å; L266-I270 WeakPolarHBondContact O-CG1 3.28Å; L266-I270 PolarHBondContact O-N 2.93Å; I270-R272 VanDerWaalsContact C-N 3.35Å; I270-R272 PolarHBondContact O-N 3.19Å; I270-Q273 PolarHBondContact O-N 3.33Å; I270-L274 WeakPolarHBondContact O-CB 3.37Å; I270-L274 PolarHBondContact O-N 2.93Å |
| 271 | A | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L255 R267 M268 L274 A275 L341 | L255-A271 HydrophobicContact CD1-CB 4.47Å; L255-A271 HydrophobicContact CD2-CB 3.96Å; R267-A271 WeakPolarHBondContact O-CB 3.45Å; R267-A271 PolarHBondContact O-N 3.17Å; M268-A271 PolarHBondContact O-N 3.25Å; A271-L274 PolarHBondContact O-N 3.42Å; A271-A275 WeakPolarHBondContact O-CB 3.26Å; A271-A275 PolarHBondContact O-N 3.12Å; A271-L341 HydrophobicContact CB-CB 4.27Å; A271-L341 HydrophobicContact CB-CD2 4.01Å |
| 272 | R | 95.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 174.7 | -177.2 | -177.1 | 58.2 | 75.9 | -2.3 | 112 | M268 T269 I270 L274 A275 E276 V374 V375 L378 | M268-R272 PolarHBondContact O-N 3.11Å; M268-R272 VanDerWaalsContact O-N 3.15Å; T269-R272 PolarHBondContact O-N 3.45Å; I270-R272 VanDerWaalsContact C-N 3.35Å; I270-R272 PolarHBondContact O-N 3.19Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 3.4Å; R272-A275 WeakPolarHBondContact O-CB 3.35Å; R272-A275 PolarHBondContact O-N 3.21Å; R272-E276 IonicContact CZ-OE1 2.67Å; R272-E276 IonicContact NH1-OE1 3.79Å; R272-E276 PolarHBondContact NH1-OE1 3.03Å; R272-E276 WeakPolarHBondContact O-CG 3.38Å; R272-E276 PolarHBondContact O-N 2.88Å; R272-V374 HydrophobicContact CG-CG1 4.46Å; R272-V375 HydrophobicContact CG-CG2 4.38Å; R272-L378 HydrophobicContact CG-CD1 4.02Å |
| 273 | Q | 94.7 | Very high | 91.9 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 34% | 0.341 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 179.7 | -74.5 | 177.2 | -13.7 | 0 | 0 | 112.5 | F251 T269 I270 E276 I277 | F251-Q273 HydrophobicContact CE2-CB 3.83Å; F251-Q273 HydrophobicContact CZ-CB 3.92Å; T269-Q273 WeakPolarHBondContact O-CG 3.29Å; T269-Q273 PolarHBondContact O-N 3.43Å; I270-Q273 PolarHBondContact O-N 3.33Å; Q273-E276 WeakPolarHBondContact O-CB 3.41Å; Q273-E276 PolarHBondContact O-N 2.89Å; Q273-I277 WeakPolarHBondContact O-CG1 3.47Å; Q273-I277 PolarHBondContact O-N 3.28Å; Q273-I277 VanDerWaalsContact O-N 3.08Å |
| 274 | L | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 175 | 178.6 | 57.7 | 0 | 0 | 0 | 111.1 | V248 F251 R252 L255 I270 A271 R272 E276 I277 L278 L341 | V248-L274 HydrophobicContact CB-CD1 4.37Å; V248-L274 HydrophobicContact CG1-CD1 3.85Å; V248-L274 HydrophobicContact CG2-CD1 4.1Å; F251-L274 HydrophobicContact CB-CB 4.32Å; F251-L274 HydrophobicContact CB-CD1 4.33Å; F251-L274 HydrophobicContact CB-CD2 4.12Å; F251-L274 HydrophobicContact CB-CG 4.49Å; F251-L274 HydrophobicContact CD2-CB 3.78Å; F251-L274 HydrophobicContact CD2-CD1 4.13Å; F251-L274 HydrophobicContact CD2-CG 4.46Å; F251-L274 HydrophobicContact CE2-CB 4.48Å; F251-L274 HydrophobicContact CG-CB 4.45Å; R252-L274 HydrophobicContact CG-CD2 3.99Å; L255-L274 HydrophobicContact CD1-CD2 3.74Å; I270-L274 WeakPolarHBondContact O-CB 3.37Å; I270-L274 PolarHBondContact O-N 2.93Å; A271-L274 PolarHBondContact O-N 3.42Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 3.4Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.97Å; L274-I277 PolarHBondContact O-N 2.75Å; L274-I277 VanDerWaalsContact O-N 3.12Å; L274-L278 HydrophobicContact CD1-CD1 4.22Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 3.94Å; L274-L278 HydrophobicContact CG-CG 4.43Å; L274-L278 VanDerWaalsContact O-CG 3.32Å; L274-L278 WeakPolarHBondContact O-CG 3.36Å; L274-L278 PolarHBondContact O-N 3.48Å; L274-L341 HydrophobicContact CB-CD1 3.88Å; L274-L341 HydrophobicContact CD2-CD1 3.57Å; L274-L341 HydrophobicContact CD2-CD2 4.36Å; L274-L341 HydrophobicContact CG-CD1 3.52Å |
| 275 | A | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A271 R272 L278 L279 A338 L341 L342 | A271-A275 WeakPolarHBondContact O-CB 3.26Å; A271-A275 PolarHBondContact O-N 3.12Å; R272-A275 WeakPolarHBondContact O-CB 3.35Å; R272-A275 PolarHBondContact O-N 3.21Å; A275-L278 PolarHBondContact O-N 2.95Å; A275-L279 WeakPolarHBondContact O-CB 3.35Å; A275-L279 VanDerWaalsContact O-CG 3.28Å; A275-L279 WeakPolarHBondContact O-CG 3.14Å; A275-L279 PolarHBondContact O-N 3.47Å; A275-A338 HydrophobicContact CB-CB 4.36Å; A275-L341 HydrophobicContact CB-CB 4.06Å; A275-L341 HydrophobicContact CB-CD1 4.41Å; A275-L342 HydrophobicContact CB-CD1 4.34Å; A275-L342 HydrophobicContact CB-CD2 3.79Å; A275-L342 HydrophobicContact CB-CG 3.71Å |
| 276 | E | 94.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | 172 | -71.9 | 176.2 | -158.5 | 0 | 0 | 111.4 | R272 Q273 L274 L278 L279 R280 L378 | R272-E276 IonicContact CZ-OE1 2.67Å; R272-E276 IonicContact NH1-OE1 3.79Å; R272-E276 PolarHBondContact NH1-OE1 3.03Å; R272-E276 WeakPolarHBondContact O-CG 3.38Å; R272-E276 PolarHBondContact O-N 2.88Å; Q273-E276 WeakPolarHBondContact O-CB 3.41Å; Q273-E276 PolarHBondContact O-N 2.89Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.97Å; E276-L278 VanDerWaalsContact C-N 3.28Å; E276-L278 PolarHBondContact O-N 2.82Å; E276-L279 PolarHBondContact O-N 2.93Å; E276-L279 VanDerWaalsContact O-N 3.17Å; E276-R280 WeakPolarHBondContact O-CG 3.25Å; E276-R280 PolarHBondContact O-N 3.29Å; E276-R280 IonicContact OE2-CZ 3.68Å; E276-R280 IonicContact OE2-NH2 2.86Å; E276-R280 PolarHBondContact OE2-NH2 3.38Å; E276-L378 HydrophobicContact CG-CD1 3.39Å; E276-L378 HydrophobicContact CG-CD2 3.78Å; E276-L378 HydrophobicContact CG-CG 4.21Å |
| 277 | I | 93.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -59.5 | -41.8 | 180 | -65.5 | 165.7 | 0 | 0 | 0 | 110.7 | F239 L244 V248 F251 Q273 L274 L279 G281 M282 | F239-I277 HydrophobicContact CD1-CD1 4.38Å; F239-I277 HydrophobicContact CE1-CD1 3.51Å; F239-I277 HydrophobicContact CE2-CD1 4.2Å; F239-I277 HydrophobicContact CZ-CD1 3.39Å; L244-I277 HydrophobicContact CD2-CG2 4.22Å; V248-I277 HydrophobicContact CG2-CG2 3.85Å; F251-I277 HydrophobicContact CD2-CD1 4.13Å; F251-I277 HydrophobicContact CE2-CD1 3.69Å; Q273-I277 WeakPolarHBondContact O-CG1 3.47Å; Q273-I277 PolarHBondContact O-N 3.28Å; Q273-I277 VanDerWaalsContact O-N 3.08Å; L274-I277 PolarHBondContact O-N 2.75Å; L274-I277 VanDerWaalsContact O-N 3.12Å; I277-L279 VanDerWaalsContact C-N 3.31Å; I277-L279 PolarHBondContact O-N 3.19Å; I277-G281 CarbonylContact O-C 3.39Å; I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.26Å; I277-M282 HydrophobicContact CG2-CG 4.39Å; I277-M282 HydrophobicContact CG2-SD 4.41Å; I277-M282 PolarHBondContact O-N 3.04Å; I277-M282 VanDerWaalsContact O-N 3.17Å |
| 278 | L | 94 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -64 | -34.6 | 178.7 | -70.7 | 163.4 | 0 | 0 | 0 | 112.9 | L274 A275 E276 M282 Y287 E337 A338 L341 | L274-L278 HydrophobicContact CD1-CD1 4.22Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 3.94Å; L274-L278 HydrophobicContact CG-CG 4.43Å; L274-L278 VanDerWaalsContact O-CG 3.32Å; L274-L278 WeakPolarHBondContact O-CG 3.36Å; L274-L278 PolarHBondContact O-N 3.48Å; A275-L278 PolarHBondContact O-N 2.95Å; E276-L278 VanDerWaalsContact C-N 3.28Å; E276-L278 PolarHBondContact O-N 2.82Å; L278-M282 HydrophobicContact CD2-CE 4.23Å; L278-M282 HydrophobicContact CD2-SD 3.82Å; L278-Y287 HydrophobicContact CD2-CD2 4.25Å; L278-Y287 HydrophobicContact CD2-CE2 4.24Å; L278-E337 HydrophobicContact CD1-CB 3.82Å; L278-E337 HydrophobicContact CD1-CG 3.59Å; L278-E337 WeakPolarHBondContact CD2-OE2 3.32Å; L278-A338 HydrophobicContact CB-CB 4.23Å; L278-L341 HydrophobicContact CD1-CD1 3.67Å |
| 279 | L | 93.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -85.2 | -31.6 | -176 | -71 | 173.5 | 0 | 0 | 0 | 114.8 | A275 E276 I277 A338 L342 L378 A382 R385 | A275-L279 WeakPolarHBondContact O-CB 3.35Å; A275-L279 VanDerWaalsContact O-CG 3.28Å; A275-L279 WeakPolarHBondContact O-CG 3.14Å; A275-L279 PolarHBondContact O-N 3.47Å; E276-L279 PolarHBondContact O-N 2.93Å; E276-L279 VanDerWaalsContact O-N 3.17Å; I277-L279 VanDerWaalsContact C-N 3.31Å; I277-L279 PolarHBondContact O-N 3.19Å; L279-A338 HydrophobicContact CD1-CB 4.26Å; L279-A338 HydrophobicContact CD2-CB 3.85Å; L279-A338 HydrophobicContact CG-CB 3.8Å; L279-L342 HydrophobicContact CD1-CD1 4.27Å; L279-L378 HydrophobicContact CD1-CB 4.14Å; L279-L378 HydrophobicContact CD1-CD2 4.06Å; L279-A382 HydrophobicContact CD1-CB 4.13Å; L279-A382 HydrophobicContact CD2-CB 3.82Å; L279-R385 PolarHBondContact O-NH1 2.99Å; L279-R385 PolarHBondContact O-NH2 2.99Å |
| 280 | R | 90.6 | Very high | 91.2 | Very high | 191 Ų | 191 | 42.2 Ų | 42.2 | 72% | 0.721 | 21% | 0.205 | S | C | * | . | I | π-helix | trans | -118.5 | -21.2 | -177.3 | 51.9 | 155.6 | 175.5 | 159.2 | -4.5 | 115.1 | E276 | E276-R280 WeakPolarHBondContact O-CG 3.25Å; E276-R280 PolarHBondContact O-N 3.29Å; E276-R280 IonicContact OE2-CZ 3.68Å; E276-R280 IonicContact OE2-NH2 2.86Å; E276-R280 PolarHBondContact OE2-NH2 3.38Å |
| 281 | G | 85.6 | Confident | 90.8 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -104.6 | -11.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I277 L300 | I277-G281 CarbonylContact O-C 3.39Å; I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.26Å; G281-L300 VanDerWaalsContact O-CD2 3.31Å; G281-L300 WeakPolarHBondContact O-CD2 3.34Å |
| 282 | M | 86.4 | Confident | 90.3 | Very high | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | trans | -133.3 | 153.8 | -178.1 | -62.6 | -178.9 | 54.6 | 0 | 0 | 111.5 | V248 I277 L278 Y287 W288 L300 N334 | V248-M282 HydrophobicContact CG2-SD 4.32Å; I277-M282 HydrophobicContact CG2-CG 4.39Å; I277-M282 HydrophobicContact CG2-SD 4.41Å; I277-M282 PolarHBondContact O-N 3.04Å; I277-M282 VanDerWaalsContact O-N 3.17Å; L278-M282 HydrophobicContact CD2-CE 4.23Å; L278-M282 HydrophobicContact CD2-SD 3.82Å; M282-Y287 HydrophobicContact CE-CD2 4.43Å; M282-W288 HydrophobicContact CE-CE3 3.92Å; M282-W288 HydrophobicContact CE-CH2 4.34Å; M282-W288 HydrophobicContact CE-CZ3 3.5Å; M282-W288 VanDerWaalsContact CE-CZ3 3.5Å; M282-W288 HydrophobicContact SD-CZ3 4.33Å; M282-L300 HydrophobicContact CB-CD2 4.33Å; M282-L300 HydrophobicContact CE-CD1 3.87Å; M282-L300 HydrophobicContact CG-CD1 3.65Å; M282-L300 HydrophobicContact CG-CD2 3.87Å; M282-L300 HydrophobicContact CG-CG 4.42Å; M282-L300 HydrophobicContact SD-CD1 3.9Å; M282-N334 VanDerWaalsContact CB-ND2 3.34Å; M282-N334 WeakPolarHBondContact CB-ND2 3.38Å | ||
| 283 | C | 86.8 | Confident | 89.6 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 47% | 0.466 | 29% | 0.285 | S | S | . | . | trans | -119.2 | 171.5 | 170.1 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | Q285 S286 Y287 N334 | C283-Q285 VanDerWaalsContact C-N 3.26Å; C283-Q285 PolarHBondContact O-N 3.45Å; C283-S286 PolarHBondContact N-OG 3.3Å; C283-S286 PolarHBondContact O-N 3.09Å; C283-S286 PolarHBondContact O-OG 2.84Å; C283-Y287 PolarHBondContact O-N 3.08Å; C283-N334 PolarHBondContact O-ND2 3.47Å; C283-N334 PolarHBondContact O-OD1 3.07Å | ||
| 284 | E | 85.5 | Confident | 88.8 | Confident | 120 Ų | 120 | 54.2 Ų | 54.2 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -57.3 | -36.4 | -177.7 | -68.2 | 169.4 | -169.6 | 0 | 0 | 112.9 | S286 Y287 N334 R386 | E284-S286 VanDerWaalsContact C-N 3.29Å; E284-S286 PolarHBondContact O-N 2.83Å; E284-Y287 PolarHBondContact O-N 2.95Å; E284-N334 VanDerWaalsContact CA-OD1 3.29Å; E284-N334 WeakPolarHBondContact CA-OD1 3.46Å; E284-N334 PolarHBondContact N-OD1 3.48Å; E284-R386 IonicContact OE1-CZ 2.59Å; E284-R386 VanDerWaalsContact OE1-CZ 3.32Å; E284-R386 IonicContact OE1-NH1 2.68Å; E284-R386 PolarHBondContact OE1-NH1 3.12Å; E284-R386 IonicContact OE1-NH2 3.93Å; E284-R386 PolarHBondContact OE1-NH2 3.18Å |
| 285 | Q | 84.3 | Confident | 87.7 | Confident | 185 Ų | 185 | 56.7 Ų | 56.7 | 86% | 0.864 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -72.5 | -22.2 | 178.7 | -63.2 | 179.3 | -0.6 | 0 | 0 | 113.8 | C283 | C283-Q285 VanDerWaalsContact C-N 3.26Å; C283-Q285 PolarHBondContact O-N 3.45Å |
| 286 | S | 85.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -96 | -4.4 | -178.8 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | C283 E284 | C283-S286 PolarHBondContact N-OG 3.3Å; C283-S286 PolarHBondContact O-N 3.09Å; C283-S286 PolarHBondContact O-OG 2.84Å; E284-S286 VanDerWaalsContact C-N 3.29Å; E284-S286 PolarHBondContact O-N 2.83Å |
| 287 | Y | 89.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | trans | -76.9 | 145.4 | -177.1 | -177.8 | -93.2 | 0 | 0 | 0 | 111.7 | L278 M282 C283 E284 P331 Q332 E333 N334 E337 | L278-Y287 HydrophobicContact CD2-CD2 4.25Å; L278-Y287 HydrophobicContact CD2-CE2 4.24Å; M282-Y287 HydrophobicContact CE-CD2 4.43Å; C283-Y287 PolarHBondContact O-N 3.08Å; E284-Y287 PolarHBondContact O-N 2.95Å; Y287-P331 WeakPolarHBondContact OH-CB 3.41Å; Y287-P331 PolarHBondContact OH-O 3.28Å; Y287-Q332 WeakPolarHBondContact CD1-O 3.41Å; Y287-Q332 WeakPolarHBondContact CE1-O 3.37Å; Y287-E333 VanDerWaalsContact CE2-C 3.49Å; Y287-N334 VanDerWaalsContact CB-OD1 3.27Å; Y287-N334 WeakPolarHBondContact CB-OD1 3.39Å; Y287-N334 HydrophobicContact CD2-CB 4.26Å; Y287-E337 HydrophobicContact CE2-CB 4.22Å; Y287-E337 VanDerWaalsContact CE2-OE2 3.24Å; Y287-E337 WeakPolarHBondContact CE2-OE2 3.26Å | ||
| 288 | W | 90.6 | Very high | 83.2 | Confident | 13 Ų | 13 | 64 Ų | 64 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | trans | -137.6 | 146.8 | 167.8 | 71.1 | 103 | 0 | 0 | 0 | 108.9 | T245 V248 R252 M282 P294 L300 | T245-W288 HydrophobicContact CG2-CH2 4.28Å; T245-W288 HydrophobicContact CG2-CZ3 4.47Å; V248-W288 HydrophobicContact CB-CH2 3.9Å; V248-W288 HydrophobicContact CB-CZ2 4.17Å; V248-W288 HydrophobicContact CG1-CH2 3.65Å; V248-W288 HydrophobicContact CG1-CZ2 3.7Å; R252-W288 VanDerWaalsContact CZ-O 3.24Å; R252-W288 PolarHBondContact NH1-O 3.17Å; R252-W288 PolarHBondContact NH2-O 2.83Å; M282-W288 HydrophobicContact CE-CE3 3.92Å; M282-W288 HydrophobicContact CE-CH2 4.34Å; M282-W288 HydrophobicContact CE-CZ3 3.5Å; M282-W288 VanDerWaalsContact CE-CZ3 3.5Å; M282-W288 HydrophobicContact SD-CZ3 4.33Å; W288-P294 HydrophobicContact CD2-CB 4.03Å; W288-P294 HydrophobicContact CG-CB 4.22Å; W288-P294 HydrophobicContact CZ2-CB 4.1Å; W288-L300 HydrophobicContact CZ3-CD1 3.96Å | ||
| 289 | S | 90.8 | Very high | 81.5 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | trans | -63.1 | 147 | -179 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L291 E292 C330 | S289-L291 PolarHBondContact O-N 3.34Å; S289-L291 PolarHBondContact OG-N 2.79Å; S289-E292 WeakPolarHBondContact CB-OE2 3.15Å; S289-E292 PolarHBondContact N-OE2 2.96Å; S289-E292 VanDerWaalsContact N-OE2 3.16Å; S289-E292 PolarHBondContact O-N 2.95Å; S289-C330 PolarHBondContact OG-SG 3.44Å | ||
| 290 | P | 91.3 | Very high | 79.9 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -14.8 | 175.2 | -25 | 34.5 | 0 | 0 | 0 | 115.5 | R256 | R256-P290 PolarHBondContact NH1-O 2.9Š|
| 291 | L | 88 | Confident | 78.5 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 59% | 0.586 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -11.7 | 176 | -61.4 | -176.8 | 0 | 0 | 0 | 113.4 | R256 S289 C330 | R256-L291 VanDerWaalsContact CZ-CD2 3.44Å; R256-L291 VanDerWaalsContact NH2-CD2 3.31Å; S289-L291 PolarHBondContact O-N 3.34Å; S289-L291 PolarHBondContact OG-N 2.79Å; L291-C330 HydrophobicContact CD1-CB 4.16Å |
| 292 | E | 84.9 | Confident | 77 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -90.4 | 153.7 | 178.3 | -72.9 | 172.2 | 166.2 | 0 | 0 | 111.3 | S289 | S289-E292 WeakPolarHBondContact CB-OE2 3.15Å; S289-E292 PolarHBondContact N-OE2 2.96Å; S289-E292 VanDerWaalsContact N-OE2 3.16Å; S289-E292 PolarHBondContact O-N 2.95Å |
| 293 | D | 78.9 | Confident | 75.1 | Confident | 142 Ų | 142 | 69.1 Ų | 69.1 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 137.1 | 168.3 | -70.1 | -38.8 | 0 | 0 | 0 | 109.2 | ||
| 294 | P | 78.7 | Confident | 73.3 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 8% | 0.078 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 156.8 | 177.9 | 28.7 | -34.4 | 0 | 0 | 0 | 111.1 | W288 Y310 | W288-P294 HydrophobicContact CD2-CB 4.03Å; W288-P294 HydrophobicContact CG-CB 4.22Å; W288-P294 HydrophobicContact CZ2-CB 4.1Å; P294-Y310 HydrophobicContact CB-CG 4.5Å; P294-Y310 HydrophobicContact CG-CD1 3.24Å; P294-Y310 HydrophobicContact CG-CD2 3.74Å; P294-Y310 HydrophobicContact CG-CE1 3.9Å; P294-Y310 HydrophobicContact CG-CE2 4.36Å; P294-Y310 HydrophobicContact CG-CG 3.13Å |
| 295 | P | 72.4 | Confident | 71.6 | Confident | 51 Ų | 51 | 70 Ų | 70 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 144.6 | -177.4 | 24.5 | -34.4 | 0 | 0 | 0 | 112.1 | V297 | P295-V297 PolarHBondContact O-N 2.94Š|
| 296 | T | 64.4 | Low | 69.4 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -65.3 | -27.9 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | T309 | T296-T309 HydrophobicContact CG2-CG2 3.96Š|
| 297 | V | 62.8 | Low | 67.4 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 62% | 0.618 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -130.1 | 106 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | P295 | P295-V297 PolarHBondContact O-N 2.94Š|
| 298 | S | 62.5 | Low | 65.4 | Low | 7 Ų | 7 | 77.6 Ų | 77.6 | 5% | 0.049 | 44% | 0.437 | C | S | . | . | trans | -82.7 | 133.5 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | T245 L300 D301 | T245-S298 WeakPolarHBondContact CG2-OG 3.32Å; S298-L300 PolarHBondContact O-N 3.4Å; S298-L300 VanDerWaalsContact O-N 3.13Å; S298-L300 WeakPolarHBondContact OG-CB 3.16Å; S298-L300 PolarHBondContact OG-N 2.82Å; S298-D301 PolarHBondContact O-N 2.85Å; S298-D301 VanDerWaalsContact O-N 3.13Å; S298-D301 VanDerWaalsContact O-O 3.09Å | ||
| 299 | P | 59.1 | Low | 63.5 | Low | 95 Ų | 95 | 81.4 Ų | 81.4 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.8 | 170.8 | -16.8 | 28.6 | 0 | 0 | 0 | 113.4 | ||
| 300 | L | 60.3 | Low | 61.8 | Low | 39 Ų | 39 | 84.2 Ų | 84.2 | 20% | 0.204 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.1 | 179.5 | -55.4 | 170.5 | 0 | 0 | 0 | 112.6 | L244 G281 M282 W288 S298 | L244-L300 HydrophobicContact CB-CB 4.34Å; G281-L300 VanDerWaalsContact O-CD2 3.31Å; G281-L300 WeakPolarHBondContact O-CD2 3.34Å; M282-L300 HydrophobicContact CB-CD2 4.33Å; M282-L300 HydrophobicContact CE-CD1 3.87Å; M282-L300 HydrophobicContact CG-CD1 3.65Å; M282-L300 HydrophobicContact CG-CD2 3.87Å; M282-L300 HydrophobicContact CG-CG 4.42Å; M282-L300 HydrophobicContact SD-CD1 3.9Å; W288-L300 HydrophobicContact CZ3-CD1 3.96Å; S298-L300 PolarHBondContact O-N 3.4Å; S298-L300 VanDerWaalsContact O-N 3.13Å; S298-L300 WeakPolarHBondContact OG-CB 3.16Å; S298-L300 PolarHBondContact OG-N 2.82Å |
| 301 | D | 61 | Low | 60.3 | Low | 24 Ų | 24 | 92.9 Ų | 92.9 | 13% | 0.128 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -103.6 | 141.5 | 178.6 | -59.8 | -38.1 | 0 | 0 | 0 | 108.4 | L244 T245 S298 | L244-D301 PolarHBondContact N-OD1 2.71Å; T245-D301 WeakPolarHBondContact CB-OD2 3.49Å; T245-D301 WeakPolarHBondContact CG2-OD2 3.3Å; T245-D301 PolarHBondContact OG1-OD2 2.72Å; S298-D301 PolarHBondContact O-N 2.85Å; S298-D301 VanDerWaalsContact O-N 3.13Å; S298-D301 VanDerWaalsContact O-O 3.09Å |
| 302 | N | 52.6 | Low | 59.3 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | trans | -58 | 138 | -175.7 | -96.8 | -47.8 | 0 | 0 | 0 | 111.9 | T304 Q305 | N302-T304 PolarHBondContact O-N 3.05Å; N302-Q305 PolarHBondContact O-N 3.25Å | ||
| 303 | P | 47.9 | Very low | 58.7 | Low | 117 Ų | 117 | 90.9 Ų | 90.9 | 76% | 0.76 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.3 | -178 | 18.6 | -27.1 | 0 | 0 | 0 | 114.8 | ||
| 304 | T | 47.4 | Very low | 59 | Low | 126 Ų | 126 | 85 Ų | 85 | 77% | 0.773 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.5 | 173.5 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | N302 Q306 | N302-T304 PolarHBondContact O-N 3.05Å; T304-Q306 PolarHBondContact O-N 3Å |
| 305 | Q | 50.4 | Low | 59.3 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -81.1 | 92.1 | 169.5 | -65.9 | -172.4 | 10.7 | 0 | 0 | 108.5 | N302 G307 | N302-Q305 PolarHBondContact O-N 3.25Å; Q305-G307 PolarHBondContact O-N 3.44Å; Q305-G307 VanDerWaalsContact O-N 3.15Å |
| 306 | Q | 39 | Very low | 59.9 | Low | 177 Ų | 177 | 89.7 Ų | 89.7 | 83% | 0.827 | 49% | 0.485 | S | S | * | . | trans | -54.3 | 119.9 | 174.3 | -81.8 | 179.5 | -19.3 | 0 | 0 | 110.9 | T304 H308 | T304-Q306 PolarHBondContact O-N 3Å; Q306-H308 PolarHBondContact O-N 3.5Å | ||
| 307 | G | 43.1 | Very low | 60.9 | Low | 51 Ų | 51 | 91.8 Ų | 91.8 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | trans | 9.8 | 85.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q305 | Q305-G307 PolarHBondContact O-N 3.44Å; Q305-G307 VanDerWaalsContact O-N 3.15Å | ||
| 308 | H | 47.2 | Very low | 62.1 | Low | 153 Ų | 153 | 90 Ų | 90 | 71% | 0.708 | 48% | 0.475 | S | S | * | . | trans | -103.9 | 103.8 | 154 | -71.2 | -48.9 | 0 | 0 | 0 | 107.6 | Q306 Y310 | Q306-H308 PolarHBondContact O-N 3.5Å; H308-Y310 PolarHBondContact O-N 3.27Å | ||
| 309 | T | 49.7 | Very low | 63.3 | Low | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | trans | -45.7 | 125.8 | 165.9 | 22.3 | 0 | 0 | 0 | 0 | 108.8 | T296 R311 | T296-T309 HydrophobicContact CG2-CG2 3.96Å; T309-R311 VanDerWaalsContact C-N 3.28Å; T309-R311 PolarHBondContact O-N 2.85Å | ||
| 310 | Y | 55.6 | Low | 64.9 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 26% | 0.259 | 48% | 0.477 | S | S | . | . | trans | -61.1 | 98.5 | 167.5 | 178 | -93.9 | 0 | 0 | 0 | 107.5 | R246 E253 P294 H308 | R246-Y310 HydrophobicContact CG-CD2 4.19Å; R246-Y310 HydrophobicContact CG-CE2 4.46Å; E253-Y310 PolarHBondContact OE1-OH 2.8Å; P294-Y310 HydrophobicContact CB-CG 4.5Å; P294-Y310 HydrophobicContact CG-CD1 3.24Å; P294-Y310 HydrophobicContact CG-CD2 3.74Å; P294-Y310 HydrophobicContact CG-CE1 3.9Å; P294-Y310 HydrophobicContact CG-CE2 4.36Å; P294-Y310 HydrophobicContact CG-CG 3.13Å; H308-Y310 PolarHBondContact O-N 3.27Å | ||
| 311 | R | 60.3 | Low | 66.5 | Low | 202 Ų | 202 | 94.4 Ų | 94.4 | 76% | 0.762 | 49% | 0.489 | S | S | * | . | trans | -134.6 | 123.9 | 171.8 | -161.1 | 171.8 | -173.2 | 174 | 2.4 | 105.7 | T309 N313 | T309-R311 VanDerWaalsContact C-N 3.28Å; T309-R311 PolarHBondContact O-N 2.85Å; R311-N313 PolarHBondContact O-N 3.33Å; R311-N313 PolarHBondContact O-OD1 3.21Å | ||
| 312 | K | 67.4 | Low | 68.1 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | trans | -53.2 | 127.6 | 170.2 | -78.7 | -164.7 | 173.5 | -167.6 | 0 | 107.9 | D190 E253 Y314 | D190-K312 IonicContact OD2-NZ 3.67Å; D190-K312 PolarHBondContact OD2-NZ 3.4Å; E253-K312 VanDerWaalsContact CD-NZ 3.3Å; E253-K312 WeakPolarHBondContact OE1-CE 3.3Å; E253-K312 IonicContact OE1-NZ 3.07Å; E253-K312 PolarHBondContact OE1-NZ 3.06Å; E253-K312 WeakPolarHBondContact OE2-CE 3.18Å; E253-K312 IonicContact OE2-NZ 3.53Å; E253-K312 PolarHBondContact OE2-NZ 2.89Å; K312-Y314 PolarHBondContact O-N 2.83Å; K312-Y314 VanDerWaalsContact O-N 3.16Å | ||
| 313 | N | 72.9 | Confident | 70.1 | Confident | 103 Ų | 103 | 96.2 Ų | 96.2 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -74.2 | 0.1 | -179.6 | -67.8 | -20.6 | 0 | 0 | 0 | 112.5 | Q179 R311 | Q179-N313 PolarHBondContact NE2-ND2 2.6Å; R311-N313 PolarHBondContact O-N 3.33Å; R311-N313 PolarHBondContact O-OD1 3.21Å |
| 314 | Y | 83.8 | Confident | 72.1 | Confident | 20 Ų | 20 | 95.8 Ų | 95.8 | 8% | 0.078 | 49% | 0.494 | C | S | . | . | trans | -146.6 | 164 | -179.1 | 69.1 | -84.6 | 0 | 0 | 0 | 111.2 | T183 E186 K187 D190 K312 L316 | T183-Y314 HydrophobicContact CG2-CD1 3.91Å; T183-Y314 HydrophobicContact CG2-CE1 4.41Å; E186-Y314 VanDerWaalsContact C-OH 3.25Å; E186-Y314 HydrophobicContact CB-CE1 3.83Å; E186-Y314 WeakPolarHBondContact CB-OH 3.38Å; E186-Y314 PolarHBondContact O-OH 3.06Å; K187-Y314 HydrophobicContact CD-CD2 4.41Å; K187-Y314 HydrophobicContact CD-CG 4.45Å; K187-Y314 HydrophobicContact CG-CD1 4.17Å; K187-Y314 HydrophobicContact CG-CD2 3.74Å; K187-Y314 HydrophobicContact CG-CE1 4.11Å; K187-Y314 HydrophobicContact CG-CE2 3.68Å; K187-Y314 HydrophobicContact CG-CG 4Å; D190-Y314 PolarHBondContact OD2-OH 3.01Å; K312-Y314 PolarHBondContact O-N 2.83Å; K312-Y314 VanDerWaalsContact O-N 3.16Å; Y314-L316 HydrophobicContact CD2-CD2 3.92Å; Y314-L316 HydrophobicContact CD2-CG 4.02Å; Y314-L316 HydrophobicContact CE2-CD1 4.25Å; Y314-L316 HydrophobicContact CE2-CD2 3.96Å; Y314-L316 HydrophobicContact CE2-CG 3.79Å | ||
| 315 | T | 84.4 | Confident | 74 | Confident | 131 Ų | 131 | 92.1 Ų | 92.1 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | trans | -134.7 | 130.4 | 169.8 | -57.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 316 | L | 86 | Confident | 75.7 | Confident | 29 Ų | 29 | 97.9 Ų | 97.9 | 15% | 0.152 | 51% | 0.508 | C | S | . | . | trans | -86.7 | 139.7 | 176 | -60.9 | 178.6 | 0 | 0 | 0 | 109.8 | L130 K187 D190 I191 Y314 R318 | L130-L316 HydrophobicContact CD1-CB 4.26Å; L130-L316 HydrophobicContact CD1-CD2 4.24Å; K187-L316 HydrophobicContact CG-CD2 4.45Å; D190-L316 HydrophobicContact CB-CD1 3.54Å; I191-L316 HydrophobicContact CD1-CD2 4.4Å; I191-L316 HydrophobicContact CG1-CD1 3.97Å; I191-L316 HydrophobicContact CG1-CD2 4.47Å; Y314-L316 HydrophobicContact CD2-CD2 3.92Å; Y314-L316 HydrophobicContact CD2-CG 4.02Å; Y314-L316 HydrophobicContact CE2-CD1 4.25Å; Y314-L316 HydrophobicContact CE2-CD2 3.96Å; Y314-L316 HydrophobicContact CE2-CG 3.79Å; L316-R318 PolarHBondContact O-N 3.18Å; L316-R318 VanDerWaalsContact O-N 3.16Å | ||
| 317 | N | 84.8 | Confident | 78.2 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 75% | 0.754 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -63.1 | -20.5 | 175.6 | -67.1 | -18.2 | 0 | 0 | 0 | 112.9 | ||
| 318 | R | 87.6 | Confident | 80.5 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 25% | 0.245 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -144.9 | 104.8 | 175.3 | -174.6 | 177.4 | 177.5 | -168 | 0.6 | 109.9 | L130 L194 E198 L316 | L130-R318 HydrophobicContact CB-CB 4.09Å; L194-R318 HydrophobicContact CD1-CG 4.23Å; L194-R318 HydrophobicContact CD2-CB 4.28Å; L194-R318 HydrophobicContact CD2-CG 3.92Å; L194-R318 WeakPolarHBondContact CD2-O 3.43Å; E198-R318 IonicContact OE1-NH2 2.78Å; E198-R318 PolarHBondContact OE1-NH2 3.15Å; E198-R318 IonicContact OE2-NH2 2.87Å; E198-R318 PolarHBondContact OE2-NH2 3.15Å; L316-R318 PolarHBondContact O-N 3.18Å; L316-R318 VanDerWaalsContact O-N 3.16Å |
| 319 | P | 88.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 162.7 | 175.2 | 32.3 | -34.1 | 0 | 0 | 0 | 112.3 | ||
| 320 | P | 93.1 | Very high | 84.8 | Confident | 21 Ų | 21 | 95.4 Ų | 95.4 | 14% | 0.136 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 156.1 | 169.4 | 27.9 | -34.8 | 0 | 0 | 0 | 111.5 | L193 L194 | L193-P320 HydrophobicContact CB-CB 3.9Å; L193-P320 HydrophobicContact CB-CG 4.17Å; L194-P320 HydrophobicContact CB-CB 4.34Å |
| 321 | R | 94.2 | Very high | 86.6 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 47% | 0.468 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 138.2 | 174.3 | -60.1 | -178 | -167.1 | 166.2 | 9.6 | 109.7 | Q197 E198 K201 A257 V258 | Q197-R321 PolarHBondContact NE2-O 3.23Å; E198-R321 IonicContact OE1-CZ 2.72Å; E198-R321 IonicContact OE1-NE 2.69Å; E198-R321 IonicContact OE1-NH2 3.31Å; E198-R321 PolarHBondContact OE1-NH2 2.74Å; K201-R321 VanDerWaalsContact NZ-NH2 3.19Å; A257-R321 WeakPolarHBondContact CA-O 3.48Å; V258-R321 HydrophobicContact CB-CB 4.49Å; V258-R321 HydrophobicContact CG2-CB 4.04Å; V258-R321 PolarHBondContact N-O 3.37Å |
| 322 | V | 94.5 | Very high | 88.2 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 149.6 | -179.1 | 165.9 | 0 | 0 | 0 | 0 | 109.1 | R256 S324 | R256-V322 HydrophobicContact CB-CG1 3.92Å; R256-V322 CarbonylContact O-C 3.26Å; R256-V322 VanDerWaalsContact O-CA 3.29Å; R256-V322 WeakPolarHBondContact O-CA 3.39Å; R256-V322 WeakPolarHBondContact O-CG1 3.09Å; V322-S324 PolarHBondContact O-N 2.95Å |
| 323 | Y | 93.3 | Very high | 89.3 | Confident | 100 Ų | 100 | 87.5 Ų | 87.5 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | trans | -58.8 | 117.7 | 170.4 | -66.1 | -72.4 | 0 | 0 | 0 | 110.2 | R256 A257 V258 E259 | R256-Y323 VanDerWaalsContact O-CD2 3.24Å; R256-Y323 WeakPolarHBondContact O-CD2 3.44Å; R256-Y323 PolarHBondContact O-N 2.88Å; A257-Y323 WeakPolarHBondContact O-CE2 3.41Å; V258-Y323 HydrophobicContact CG1-CE1 4.43Å; V258-Y323 HydrophobicContact CG2-CD1 4.31Å; V258-Y323 HydrophobicContact CG2-CE1 4.36Å; E259-Y323 WeakPolarHBondContact CB-OH 3.45Å; E259-Y323 PolarHBondContact N-OH 3.29Å | ||
| 324 | S | 90 | Very high | 90.2 | Very high | 108 Ų | 108 | 83 Ų | 83 | 76% | 0.755 | 44% | 0.437 | S | S | * | . | trans | -138.2 | 135.5 | -176.8 | 61.5 | 0 | 0 | 0 | 0 | 111 | V322 L328 | V322-S324 PolarHBondContact O-N 2.95Å; S324-L328 VanDerWaalsContact C-CD1 3.48Å | ||
| 325 | G | 88.4 | Confident | 90.7 | Very high | 49 Ų | 49 | 82.3 Ų | 82.3 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | trans | 168.6 | 143.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N327 L328 | G325-N327 PolarHBondContact O-N 2.9Å; G325-L328 PolarHBondContact O-N 3.02Å | ||
| 326 | E | 85.1 | Confident | 91.2 | Very high | 201 Ų | 201 | 79.4 Ų | 79.4 | 94% | 0.939 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.4 | -175 | -64 | 179.8 | 173.9 | 0 | 0 | 113.2 | ||
| 327 | N | 91.6 | Very high | 91.7 | Very high | 166 Ų | 166 | 78.4 Ų | 78.4 | 89% | 0.888 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.5 | -178.7 | -62.8 | -34.4 | 0 | 0 | 0 | 113.6 | G325 | G325-N327 PolarHBondContact O-N 2.9Š|
| 328 | L | 90.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 71.7 Ų | 71.7 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -75.6 | 135.2 | 176.8 | -68.1 | 178.3 | 0 | 0 | 0 | 110.1 | S324 G325 C330 | S324-L328 VanDerWaalsContact C-CD1 3.48Å; G325-L328 PolarHBondContact O-N 3.02Å; L328-C330 PolarHBondContact O-N 3.09Å |
| 329 | F | 94.1 | Very high | 92.7 | Very high | 133 Ų | 133 | 70.2 Ų | 70.2 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | trans | -63.4 | 132.1 | 173.7 | 176.2 | -105.6 | 0 | 0 | 0 | 110.6 | P331 E336 L340 | F329-P331 HydrophobicContact CD1-CG 4.44Å; F329-P331 HydrophobicContact CE1-CB 4.37Å; F329-P331 HydrophobicContact CE1-CG 3.85Å; F329-E336 HydrophobicContact CZ-CB 4.42Å; F329-L340 HydrophobicContact CD1-CD2 4.07Å; F329-L340 HydrophobicContact CE1-CD2 4.21Å | ||
| 330 | C | 93.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | trans | -125.8 | 118.6 | 175 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | S289 L291 L328 Q332 | S289-C330 PolarHBondContact OG-SG 3.44Å; L291-C330 HydrophobicContact CD1-CB 4.16Å; L328-C330 PolarHBondContact O-N 3.09Å; C330-Q332 PolarHBondContact O-NE2 2.93Å | ||
| 331 | P | 95.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | -60.9 | 136 | -180 | -23.6 | 33.2 | 0 | 0 | 0 | 113.1 | Y287 F329 E336 E337 L340 | Y287-P331 WeakPolarHBondContact OH-CB 3.41Å; Y287-P331 PolarHBondContact OH-O 3.28Å; F329-P331 HydrophobicContact CD1-CG 4.44Å; F329-P331 HydrophobicContact CE1-CB 4.37Å; F329-P331 HydrophobicContact CE1-CG 3.85Å; P331-E336 HydrophobicContact CB-CB 4.05Å; P331-E337 HydrophobicContact CB-CB 3.59Å; P331-E337 HydrophobicContact CB-CG 4.25Å; P331-E337 HydrophobicContact CG-CB 3.91Å; P331-E337 HydrophobicContact CG-CG 4.11Å; P331-L340 HydrophobicContact CG-CD2 3.78Å | ||
| 332 | Q | 92.3 | Very high | 93.3 | Very high | 119 Ų | 119 | 62.6 Ų | 62.6 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | trans | -104.2 | -14.3 | -178.7 | -57.4 | -56.6 | -50.4 | 0 | 0 | 113.3 | Y287 C330 E336 | Y287-Q332 WeakPolarHBondContact CD1-O 3.41Å; Y287-Q332 WeakPolarHBondContact CE1-O 3.37Å; C330-Q332 PolarHBondContact O-NE2 2.93Å; Q332-E336 PolarHBondContact N-OE2 3.39Å | ||
| 333 | E | 91.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -141.5 | 167.5 | 176.6 | 60 | 151.4 | -150.6 | 0 | 0 | 113.3 | Y287 T335 E336 E337 R386 | Y287-E333 VanDerWaalsContact CE2-C 3.49Å; E333-T335 VanDerWaalsContact C-N 3.3Å; E333-T335 PolarHBondContact O-N 3.16Å; E333-T335 WeakPolarHBondContact OE1-CB 3.37Å; E333-E336 HydrophobicContact CG-CB 3.99Å; E333-E336 HydrophobicContact CG-CG 3.6Å; E333-E336 PolarHBondContact O-N 2.93Å; E333-E337 PolarHBondContact O-N 2.94Å; E333-E337 VanDerWaalsContact O-N 3.11Å; E333-R386 IonicContact OE1-NH2 3.43Å; E333-R386 IonicContact OE2-NH2 2.68Å; E333-R386 PolarHBondContact OE2-NH2 3.08Å |
| 334 | N | 91.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55 | -43.6 | -178.5 | -54 | 68.8 | 0 | 0 | 0 | 112.6 | M282 C283 E284 Y287 A338 | M282-N334 VanDerWaalsContact CB-ND2 3.34Å; M282-N334 WeakPolarHBondContact CB-ND2 3.38Å; C283-N334 PolarHBondContact O-ND2 3.47Å; C283-N334 PolarHBondContact O-OD1 3.07Å; E284-N334 VanDerWaalsContact CA-OD1 3.29Å; E284-N334 WeakPolarHBondContact CA-OD1 3.46Å; E284-N334 PolarHBondContact N-OD1 3.48Å; Y287-N334 VanDerWaalsContact CB-OD1 3.27Å; Y287-N334 WeakPolarHBondContact CB-OD1 3.39Å; Y287-N334 HydrophobicContact CD2-CB 4.26Å; N334-A338 VanDerWaalsContact O-CB 3.23Å; N334-A338 WeakPolarHBondContact O-CB 3.47Å; N334-A338 PolarHBondContact O-N 3.43Å |
| 335 | T | 92.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.7 | -39.9 | -174.2 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | E333 A338 L339 A382 R386 | E333-T335 VanDerWaalsContact C-N 3.3Å; E333-T335 PolarHBondContact O-N 3.16Å; E333-T335 WeakPolarHBondContact OE1-CB 3.37Å; T335-A338 PolarHBondContact O-N 3.35Å; T335-L339 HydrophobicContact CG2-CD1 4.06Å; T335-L339 HydrophobicContact CG2-CG 4.25Å; T335-L339 WeakPolarHBondContact O-CB 3.27Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.02Å; T335-A382 HydrophobicContact CG2-CB 4.46Å; T335-R386 HydrophobicContact CG2-CG 4.03Å; T335-R386 PolarHBondContact OG1-NE 2.98Å; T335-R386 PolarHBondContact OG1-NH2 3.44Å |
| 336 | E | 95 | Very high | 93.6 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 173.2 | -73.5 | -180 | 177.9 | 0 | 0 | 112.2 | F329 P331 Q332 E333 L339 L340 | F329-E336 HydrophobicContact CZ-CB 4.42Å; P331-E336 HydrophobicContact CB-CB 4.05Å; Q332-E336 PolarHBondContact N-OE2 3.39Å; E333-E336 HydrophobicContact CG-CB 3.99Å; E333-E336 HydrophobicContact CG-CG 3.6Å; E333-E336 PolarHBondContact O-N 2.93Å; E336-L339 PolarHBondContact O-N 3.4Å; E336-L340 WeakPolarHBondContact O-CB 3.46Å; E336-L340 PolarHBondContact O-N 3.05Å |
| 337 | E | 97 | Very high | 93.9 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 179.5 | -169.9 | -180 | -172 | 0 | 0 | 110.4 | R252 L278 Y287 P331 E333 L339 L340 L341 | R252-E337 IonicContact CZ-OE1 3.84Å; R252-E337 IonicContact CZ-OE2 3.89Å; R252-E337 IonicContact NE-OE1 2.88Å; R252-E337 PolarHBondContact NE-OE1 3.48Å; R252-E337 IonicContact NE-OE2 2.87Å; R252-E337 IonicContact NH2-OE1 2.76Å; R252-E337 IonicContact NH2-OE2 3.28Å; R252-E337 PolarHBondContact NH2-OE2 3.01Å; L278-E337 HydrophobicContact CD1-CB 3.82Å; L278-E337 HydrophobicContact CD1-CG 3.59Å; L278-E337 WeakPolarHBondContact CD2-OE2 3.32Å; Y287-E337 HydrophobicContact CE2-CB 4.22Å; Y287-E337 VanDerWaalsContact CE2-OE2 3.24Å; Y287-E337 WeakPolarHBondContact CE2-OE2 3.26Å; P331-E337 HydrophobicContact CB-CB 3.59Å; P331-E337 HydrophobicContact CB-CG 4.25Å; P331-E337 HydrophobicContact CG-CB 3.91Å; P331-E337 HydrophobicContact CG-CG 4.11Å; E333-E337 PolarHBondContact O-N 2.94Å; E333-E337 VanDerWaalsContact O-N 3.11Å; E337-L339 PolarHBondContact O-N 2.95Å; E337-L340 PolarHBondContact O-N 3.35Å; E337-L341 HydrophobicContact CG-CD1 3.88Å; E337-L341 HydrophobicContact CG-CG 4.32Å; E337-L341 WeakPolarHBondContact O-CB 3.21Å; E337-L341 WeakPolarHBondContact O-CD1 3.15Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å |
| 338 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A275 L278 L279 N334 T335 L341 L342 | A275-A338 HydrophobicContact CB-CB 4.36Å; L278-A338 HydrophobicContact CB-CB 4.23Å; L279-A338 HydrophobicContact CD1-CB 4.26Å; L279-A338 HydrophobicContact CD2-CB 3.85Å; L279-A338 HydrophobicContact CG-CB 3.8Å; N334-A338 VanDerWaalsContact O-CB 3.23Å; N334-A338 WeakPolarHBondContact O-CB 3.47Å; N334-A338 PolarHBondContact O-N 3.43Å; T335-A338 PolarHBondContact O-N 3.35Å; A338-L341 PolarHBondContact O-N 3.46Å; A338-L342 WeakPolarHBondContact O-CB 2.8Å; A338-L342 WeakPolarHBondContact O-CD1 3.1Å; A338-L342 WeakPolarHBondContact O-CG 3.29Å; A338-L342 PolarHBondContact O-N 3Å |
| 339 | L | 96.4 | Very high | 93.3 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.5 | -73.8 | 174.5 | 0 | 0 | 0 | 111.7 | T335 E336 E337 L341 L342 L343 L379 A382 L383 | T335-L339 HydrophobicContact CG2-CD1 4.06Å; T335-L339 HydrophobicContact CG2-CG 4.25Å; T335-L339 WeakPolarHBondContact O-CB 3.27Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.02Å; E336-L339 PolarHBondContact O-N 3.4Å; E337-L339 PolarHBondContact O-N 2.95Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.49Å; L339-L342 PolarHBondContact O-N 3.07Å; L339-L343 WeakPolarHBondContact O-CB 3.33Å; L339-L343 VanDerWaalsContact O-CG 3.24Å; L339-L343 WeakPolarHBondContact O-CG 3.5Å; L339-L343 PolarHBondContact O-N 3.21Å; L339-L379 HydrophobicContact CD2-CD2 3.89Å; L339-A382 HydrophobicContact CD2-CB 3.89Å; L339-A382 HydrophobicContact CG-CB 4.43Å; L339-L383 HydrophobicContact CD1-CD2 4.1Å; L339-L383 HydrophobicContact CD2-CD2 3.74Å; L339-L383 HydrophobicContact CD2-CG 3.92Å |
| 340 | L | 96.9 | Very high | 92.8 | Very high | 63 Ų | 63 | 30.8 Ų | 30.8 | 33% | 0.33 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 176.5 | 176.6 | 63 | 0 | 0 | 0 | 111.1 | F329 P331 E336 E337 L343 I344 | F329-L340 HydrophobicContact CD1-CD2 4.07Å; F329-L340 HydrophobicContact CE1-CD2 4.21Å; P331-L340 HydrophobicContact CG-CD2 3.78Å; E336-L340 WeakPolarHBondContact O-CB 3.46Å; E336-L340 PolarHBondContact O-N 3.05Å; E337-L340 PolarHBondContact O-N 3.35Å; L340-L343 PolarHBondContact O-N 3.3Å; L340-I344 HydrophobicContact CD1-CD1 4.09Å; L340-I344 HydrophobicContact CD1-CG1 4.49Å; L340-I344 HydrophobicContact CG-CD1 4.01Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.49Å; L340-I344 PolarHBondContact O-N 2.96Å |
| 341 | L | 97.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | -179.6 | -67.8 | 170.5 | 0 | 0 | 0 | 112.6 | L255 A271 L274 A275 L278 E337 A338 L339 I344 S345 | L255-L341 HydrophobicContact CD1-CD2 3.6Å; A271-L341 HydrophobicContact CB-CB 4.27Å; A271-L341 HydrophobicContact CB-CD2 4.01Å; L274-L341 HydrophobicContact CB-CD1 3.88Å; L274-L341 HydrophobicContact CD2-CD1 3.57Å; L274-L341 HydrophobicContact CD2-CD2 4.36Å; L274-L341 HydrophobicContact CG-CD1 3.52Å; A275-L341 HydrophobicContact CB-CB 4.06Å; A275-L341 HydrophobicContact CB-CD1 4.41Å; L278-L341 HydrophobicContact CD1-CD1 3.67Å; E337-L341 HydrophobicContact CG-CD1 3.88Å; E337-L341 HydrophobicContact CG-CG 4.32Å; E337-L341 WeakPolarHBondContact O-CB 3.21Å; E337-L341 WeakPolarHBondContact O-CD1 3.15Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å; A338-L341 PolarHBondContact O-N 3.46Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.49Å; L341-I344 PolarHBondContact O-N 3.31Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.47Å |
| 342 | L | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.2 | -69.9 | 168.8 | 0 | 0 | 0 | 111.6 | A275 L279 A338 L339 S345 E346 V375 L378 L379 | A275-L342 HydrophobicContact CB-CD1 4.34Å; A275-L342 HydrophobicContact CB-CD2 3.79Å; A275-L342 HydrophobicContact CB-CG 3.71Å; L279-L342 HydrophobicContact CD1-CD1 4.27Å; A338-L342 WeakPolarHBondContact O-CB 2.8Å; A338-L342 WeakPolarHBondContact O-CD1 3.1Å; A338-L342 WeakPolarHBondContact O-CG 3.29Å; A338-L342 PolarHBondContact O-N 3Å; L339-L342 PolarHBondContact O-N 3.07Å; L342-S345 PolarHBondContact O-N 2.86Å; L342-E346 WeakPolarHBondContact O-CB 3.36Å; L342-E346 PolarHBondContact O-N 3.28Å; L342-V375 HydrophobicContact CB-CG1 4.28Å; L342-V375 HydrophobicContact CD2-CG1 4.01Å; L342-V375 WeakPolarHBondContact O-CG1 3.32Å; L342-L378 HydrophobicContact CD1-CB 3.75Å; L342-L378 HydrophobicContact CD2-CB 3.59Å; L342-L378 HydrophobicContact CD2-CD1 3.82Å; L342-L378 HydrophobicContact CD2-CG 4.38Å; L342-L378 HydrophobicContact CG-CB 4.34Å; L342-L379 HydrophobicContact CB-CD2 3.63Å; L342-L379 HydrophobicContact CB-CG 3.94Å; L342-L379 HydrophobicContact CD1-CD2 3.88Å; L342-L379 HydrophobicContact CD1-CG 4.06Å; L342-L379 HydrophobicContact CG-CD2 4.4Å |
| 343 | L | 94.7 | Very high | 90.3 | Very high | 61 Ų | 61 | 38 Ų | 38 | 32% | 0.319 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 174.9 | -69.9 | 173.3 | 0 | 0 | 0 | 111.9 | L339 L340 E346 S347 | L339-L343 WeakPolarHBondContact O-CB 3.33Å; L339-L343 VanDerWaalsContact O-CG 3.24Å; L339-L343 WeakPolarHBondContact O-CG 3.5Å; L339-L343 PolarHBondContact O-N 3.21Å; L340-L343 PolarHBondContact O-N 3.3Å; L343-E346 PolarHBondContact O-N 3.07Å; L343-S347 WeakPolarHBondContact O-CB 3.45Å; L343-S347 PolarHBondContact O-N 3.49Å; L343-S347 PolarHBondContact O-OG 3.12Å |
| 344 | I | 93.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.256 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -51.6 | 172.1 | -69.4 | 165.8 | 0 | 0 | 0 | 109.5 | L340 L341 E346 S347 M348 | L340-I344 HydrophobicContact CD1-CD1 4.09Å; L340-I344 HydrophobicContact CD1-CG1 4.49Å; L340-I344 HydrophobicContact CG-CD1 4.01Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.49Å; L340-I344 PolarHBondContact O-N 2.96Å; L341-I344 PolarHBondContact O-N 3.31Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.36Å; I344-S347 PolarHBondContact O-N 2.96Å; I344-S347 PolarHBondContact O-OG 2.92Å; I344-M348 HydrophobicContact CG2-CE 3.72Å; I344-M348 HydrophobicContact CG2-SD 3.98Å; I344-M348 WeakPolarHBondContact O-CG 3.36Å; I344-M348 PolarHBondContact O-N 2.94Å |
| 345 | S | 92.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 179.2 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | M268 L341 L342 M348 A349 | M268-S345 PolarHBondContact O-OG 3.02Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.47Å; L342-S345 PolarHBondContact O-N 2.86Å; S345-M348 PolarHBondContact O-N 3.21Å; S345-A349 WeakPolarHBondContact O-CB 3.44Å; S345-A349 PolarHBondContact O-N 2.86Å |
| 346 | E | 91.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 175.5 | -172.2 | -158.6 | -179 | 0 | 0 | 110.3 | L342 L343 I344 M348 A349 N350 V375 Y376 R398 | L342-E346 WeakPolarHBondContact O-CB 3.36Å; L342-E346 PolarHBondContact O-N 3.28Å; L343-E346 PolarHBondContact O-N 3.07Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.36Å; E346-M348 VanDerWaalsContact C-N 3.27Å; E346-M348 PolarHBondContact O-N 3.35Å; E346-A349 PolarHBondContact O-N 3.47Å; E346-N350 WeakPolarHBondContact O-CB 3.44Å; E346-N350 PolarHBondContact O-N 2.6Å; E346-N350 PolarHBondContact O-ND2 3.02Å; E346-N350 VanDerWaalsContact O-ND2 3.1Å; E346-V375 HydrophobicContact CB-CG1 4.04Å; E346-Y376 HydrophobicContact CG-CE1 4.12Å; E346-Y376 WeakPolarHBondContact CG-OH 3.23Å; E346-Y376 WeakPolarHBondContact OE1-CE1 3.47Å; E346-Y376 PolarHBondContact OE1-OH 2.84Å; E346-R398 IonicContact OE1-CZ 2.85Å; E346-R398 IonicContact OE1-NE 2.82Å; E346-R398 IonicContact OE1-NH1 3.94Å; E346-R398 PolarHBondContact OE1-NH1 3.49Å; E346-R398 IonicContact OE1-NH2 3.37Å; E346-R398 PolarHBondContact OE1-NH2 2.86Å; E346-R398 IonicContact OE2-CZ 3.03Å; E346-R398 IonicContact OE2-NH1 3.45Å; E346-R398 PolarHBondContact OE2-NH1 3.43Å; E346-R398 IonicContact OE2-NH2 3.12Å; E346-R398 PolarHBondContact OE2-NH2 2.91Å; E346-R398 VanDerWaalsContact OE2-NH2 3.12Å |
| 347 | S | 90.1 | Very high | 87.2 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -34.6 | -179 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | L343 I344 | L343-S347 WeakPolarHBondContact O-CB 3.45Å; L343-S347 PolarHBondContact O-N 3.49Å; L343-S347 PolarHBondContact O-OG 3.12Å; I344-S347 PolarHBondContact O-N 2.96Å; I344-S347 PolarHBondContact O-OG 2.92Å |
| 348 | M | 87.3 | Confident | 86.4 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.8 | -48.6 | 176.5 | -70 | 176.3 | 174.5 | 0 | 0 | 111.1 | M268 I344 S345 E346 N350 R351 | M268-M348 HydrophobicContact CB-CB 4.07Å; M268-M348 HydrophobicContact CB-SD 3.85Å; M268-M348 HydrophobicContact CG-CB 3.96Å; M268-M348 HydrophobicContact SD-CB 3.95Å; I344-M348 HydrophobicContact CG2-CE 3.72Å; I344-M348 HydrophobicContact CG2-SD 3.98Å; I344-M348 WeakPolarHBondContact O-CG 3.36Å; I344-M348 PolarHBondContact O-N 2.94Å; S345-M348 PolarHBondContact O-N 3.21Å; E346-M348 VanDerWaalsContact C-N 3.27Å; E346-M348 PolarHBondContact O-N 3.35Å; M348-N350 PolarHBondContact O-N 3.06Å; M348-R351 WeakPolarHBondContact O-CB 3.41Å; M348-R351 PolarHBondContact O-N 3.26Å |
| 349 | A | 83.7 | Confident | 85.5 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M268 S345 E346 R351 A353 | M268-A349 HydrophobicContact SD-CB 3.98Å; S345-A349 WeakPolarHBondContact O-CB 3.44Å; S345-A349 PolarHBondContact O-N 2.86Å; E346-A349 PolarHBondContact O-N 3.47Å; A349-R351 VanDerWaalsContact C-N 3.31Å; A349-R351 PolarHBondContact O-N 3.11Å; A349-A353 PolarHBondContact O-N 2.91Å |
| 350 | N | 83.2 | Confident | 84.8 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.4 | 176.7 | -74.3 | -30.9 | 0 | 0 | 0 | 114.7 | E346 M348 K401 F402 | E346-N350 WeakPolarHBondContact O-CB 3.44Å; E346-N350 PolarHBondContact O-N 2.6Å; E346-N350 PolarHBondContact O-ND2 3.02Å; E346-N350 VanDerWaalsContact O-ND2 3.1Å; M348-N350 PolarHBondContact O-N 3.06Å; N350-K401 PolarHBondContact ND2-NZ 3.4Å; N350-K401 WeakPolarHBondContact OD1-CE 3.15Å; N350-K401 PolarHBondContact OD1-NZ 3.4Å; N350-F402 VanDerWaalsContact OD1-CE2 3.26Å; N350-F402 WeakPolarHBondContact OD1-CE2 3.25Å; N350-F402 WeakPolarHBondContact OD1-CZ 3.35Å |
| 351 | R | 81.6 | Confident | 84 | Confident | 167 Ų | 167 | 65 Ų | 65 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -38.2 | -179.1 | -69.4 | 176.1 | -177.6 | 177.8 | 2.1 | 112 | M348 A349 | M348-R351 WeakPolarHBondContact O-CB 3.41Å; M348-R351 PolarHBondContact O-N 3.26Å; A349-R351 VanDerWaalsContact C-N 3.31Å; A349-R351 PolarHBondContact O-N 3.11Å |
| 352 | D | 71 | Confident | 83.1 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -95.7 | 6.5 | -175.9 | -59.7 | -29.5 | 0 | 0 | 0 | 112.7 | V354 | D352-V354 PolarHBondContact O-N 3.37Š|
| 353 | A | 76.2 | Confident | 82.4 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | trans | -68.2 | 119.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A349 L355 F402 | A349-A353 PolarHBondContact O-N 2.91Å; A353-L355 HydrophobicContact CB-CD2 4.28Å; A353-L355 HydrophobicContact CB-CG 4.45Å; A353-L355 PolarHBondContact O-N 3.24Å; A353-F402 HydrophobicContact CB-CD1 4.44Å; A353-F402 HydrophobicContact CB-CE1 3.45Å; A353-F402 VanDerWaalsContact CB-CE1 3.45Å; A353-F402 HydrophobicContact CB-CZ 4.08Å | ||
| 354 | V | 75.7 | Confident | 81.7 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | trans | -82.3 | 105.6 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | D352 H361 D364 R365 S368 | D352-V354 PolarHBondContact O-N 3.37Å; V354-H361 HydrophobicContact CG1-CB 3.92Å; V354-D364 HydrophobicContact CB-CB 3.98Å; V354-D364 HydrophobicContact CG1-CB 4.1Å; V354-D364 HydrophobicContact CG2-CB 3.89Å; V354-R365 WeakPolarHBondContact O-CG 3.44Å; V354-S368 PolarHBondContact N-OG 3.28Å | ||
| 355 | L | 76.8 | Confident | 81 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | trans | -97.4 | -3.6 | -178.9 | -58.7 | 178.3 | 0 | 0 | 0 | 113.9 | A353 R357 K401 F402 | A353-L355 HydrophobicContact CB-CD2 4.28Å; A353-L355 HydrophobicContact CB-CG 4.45Å; A353-L355 PolarHBondContact O-N 3.24Å; L355-R357 PolarHBondContact O-N 3.08Å; L355-K401 HydrophobicContact CD2-CG 4.42Å; L355-F402 HydrophobicContact CD2-CD1 4.25Å; L355-F402 HydrophobicContact CD2-CE1 4.43Å | ||
| 356 | S | 77 | Confident | 80.5 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | trans | -62.6 | 133.9 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | I358 R365 | S356-I358 VanDerWaalsContact C-N 3.31Å; S356-I358 WeakPolarHBondContact OG-CD1 3.45Å; S356-I358 WeakPolarHBondContact OG-CG1 3.45Å; S356-R365 WeakPolarHBondContact O-CD 3.48Å | ||
| 357 | R | 76.2 | Confident | 79.9 | Confident | 200 Ų | 200 | 82.6 Ų | 82.6 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | trans | -89.7 | 5.2 | -179.2 | -63.1 | -175.3 | -177.3 | -178.9 | -0.4 | 113.9 | L355 | L355-R357 PolarHBondContact O-N 3.08Š| ||
| 358 | I | 80.7 | Confident | 79.5 | Confident | 85 Ų | 85 | 80.7 Ų | 80.7 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -67.3 | 136.9 | -179.6 | -57.7 | 169.7 | 0 | 0 | 0 | 109 | S356 E360 H361 | S356-I358 VanDerWaalsContact C-N 3.31Å; S356-I358 WeakPolarHBondContact OG-CD1 3.45Å; S356-I358 WeakPolarHBondContact OG-CG1 3.45Å; I358-E360 HydrophobicContact CG2-CB 4.19Å; I358-E360 HydrophobicContact CG2-CG 4.28Å; I358-E360 PolarHBondContact O-N 3.28Å; I358-E360 VanDerWaalsContact O-N 3.1Å; I358-H361 PolarHBondContact O-N 3.28Å; I358-H361 VanDerWaalsContact O-N 3.11Å |
| 359 | P | 76.8 | Confident | 79.2 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -54.7 | -30.1 | -178.1 | -28.3 | 35.5 | 0 | 0 | 0 | 114.8 | H361 N362 | P359-H361 VanDerWaalsContact C-N 3.27Å; P359-H361 PolarHBondContact O-N 2.94Å; P359-N362 WeakPolarHBondContact O-CB 3.47Å; P359-N362 PolarHBondContact O-N 3.47Å |
| 360 | E | 81 | Confident | 79.2 | Confident | 167 Ų | 167 | 88.1 Ų | 88.1 | 78% | 0.78 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -63.3 | -29.6 | -179.6 | -64.7 | 170.7 | -173.5 | 0 | 0 | 113.1 | I358 | I358-E360 HydrophobicContact CG2-CB 4.19Å; I358-E360 HydrophobicContact CG2-CG 4.28Å; I358-E360 PolarHBondContact O-N 3.28Å; I358-E360 VanDerWaalsContact O-N 3.1Å |
| 361 | H | 80.8 | Confident | 78.8 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -94 | 14.7 | 179.7 | -68.8 | -59.7 | 0 | 0 | 0 | 113.6 | V354 I358 P359 N363 D364 R365 | V354-H361 HydrophobicContact CG1-CB 3.92Å; I358-H361 PolarHBondContact O-N 3.28Å; I358-H361 VanDerWaalsContact O-N 3.11Å; P359-H361 VanDerWaalsContact C-N 3.27Å; P359-H361 PolarHBondContact O-N 2.94Å; H361-N363 VanDerWaalsContact C-N 3.3Å; H361-N363 PolarHBondContact O-N 3.46Å; H361-D364 IonicContact CG-OD2 3.84Å; H361-D364 IonicContact ND1-OD2 2.65Å; H361-D364 PolarHBondContact ND1-OD2 3.33Å; H361-D364 PolarHBondContact O-N 2.86Å; H361-R365 WeakPolarHBondContact O-CG 3.5Å; H361-R365 PolarHBondContact O-N 2.95Å |
| 362 | N | 78.6 | Confident | 78.9 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | -175.9 | -169.9 | 36.8 | 0 | 0 | 0 | 112.5 | P359 R365 I366 | P359-N362 WeakPolarHBondContact O-CB 3.47Å; P359-N362 PolarHBondContact O-N 3.47Å; N362-R365 PolarHBondContact O-N 3.48Å; N362-R365 PolarHBondContact OD1-NH2 2.83Å; N362-I366 WeakPolarHBondContact O-CG1 3.42Å; N362-I366 PolarHBondContact O-N 3.05Å; N362-I366 VanDerWaalsContact O-N 3.14Å |
| 363 | N | 81.9 | Confident | 79.6 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 178.5 | -68.9 | -20.3 | 0 | 0 | 0 | 112 | H361 R365 I366 I367 | H361-N363 VanDerWaalsContact C-N 3.3Å; H361-N363 PolarHBondContact O-N 3.46Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 3.41Å; N363-I366 PolarHBondContact O-N 3.43Å; N363-I366 VanDerWaalsContact O-N 3.15Å; N363-I367 WeakPolarHBondContact O-CG1 3.35Å; N363-I367 PolarHBondContact O-N 3.05Å; N363-I367 VanDerWaalsContact O-N 3.09Å |
| 364 | D | 78.9 | Confident | 80.3 | Confident | 68 Ų | 68 | 77.7 Ų | 77.7 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 179.3 | -55.2 | -31.7 | 0 | 0 | 0 | 111.6 | V354 H361 I367 S368 | V354-D364 HydrophobicContact CB-CB 3.98Å; V354-D364 HydrophobicContact CG1-CB 4.1Å; V354-D364 HydrophobicContact CG2-CB 3.89Å; H361-D364 IonicContact CG-OD2 3.84Å; H361-D364 IonicContact ND1-OD2 2.65Å; H361-D364 PolarHBondContact ND1-OD2 3.33Å; H361-D364 PolarHBondContact O-N 2.86Å; D364-I367 PolarHBondContact O-N 2.62Å; D364-S368 WeakPolarHBondContact O-CB 3.42Å; D364-S368 PolarHBondContact O-N 3.22Å; D364-S368 PolarHBondContact O-OG 2.93Å |
| 365 | R | 80.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 19% | 0.192 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 173.2 | -69.1 | 175.2 | -16.8 | -178.8 | 1.5 | 112.3 | V354 S356 H361 N362 N363 I367 S368 L369 | V354-R365 WeakPolarHBondContact O-CG 3.44Å; S356-R365 WeakPolarHBondContact O-CD 3.48Å; H361-R365 WeakPolarHBondContact O-CG 3.5Å; H361-R365 PolarHBondContact O-N 2.95Å; N362-R365 PolarHBondContact O-N 3.48Å; N362-R365 PolarHBondContact OD1-NH2 2.83Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 3.41Å; R365-I367 VanDerWaalsContact C-N 3.3Å; R365-I367 PolarHBondContact O-N 3.11Å; R365-S368 PolarHBondContact O-N 3.32Å; R365-L369 VanDerWaalsContact O-CB 3.23Å; R365-L369 WeakPolarHBondContact O-CB 3.44Å; R365-L369 PolarHBondContact O-N 3.07Å |
| 366 | I | 80.5 | Confident | 81.9 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 45% | 0.446 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.2 | -68.7 | 165.2 | 0 | 0 | 0 | 109.9 | N362 N363 L369 Q370 | N362-I366 WeakPolarHBondContact O-CG1 3.42Å; N362-I366 PolarHBondContact O-N 3.05Å; N362-I366 VanDerWaalsContact O-N 3.14Å; N363-I366 PolarHBondContact O-N 3.43Å; N363-I366 VanDerWaalsContact O-N 3.15Å; I366-L369 PolarHBondContact O-N 2.88Å; I366-Q370 WeakPolarHBondContact O-CB 3.14Å; I366-Q370 PolarHBondContact O-N 3.22Å |
| 367 | I | 80.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 55% | 0.549 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 176.7 | -63 | 165.5 | 0 | 0 | 0 | 110.9 | N363 D364 R365 L369 Q370 S371 | N363-I367 WeakPolarHBondContact O-CG1 3.35Å; N363-I367 PolarHBondContact O-N 3.05Å; N363-I367 VanDerWaalsContact O-N 3.09Å; D364-I367 PolarHBondContact O-N 2.62Å; R365-I367 VanDerWaalsContact C-N 3.3Å; R365-I367 PolarHBondContact O-N 3.11Å; I367-L369 VanDerWaalsContact C-N 3.3Å; I367-L369 PolarHBondContact O-N 3.45Å; I367-Q370 PolarHBondContact O-N 3.23Å; I367-S371 WeakPolarHBondContact O-CB 3.43Å; I367-S371 PolarHBondContact O-N 2.99Å; I367-S371 PolarHBondContact O-OG 3.4Å |
| 368 | S | 80.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | V354 D364 R365 S371 A372 | V354-S368 PolarHBondContact N-OG 3.28Å; D364-S368 WeakPolarHBondContact O-CB 3.42Å; D364-S368 PolarHBondContact O-N 3.22Å; D364-S368 PolarHBondContact O-OG 2.93Å; R365-S368 PolarHBondContact O-N 3.32Å; S368-S371 PolarHBondContact O-OG 2.88Å; S368-A372 WeakPolarHBondContact O-CB 3.47Å; S368-A372 PolarHBondContact O-N 3.49Å; S368-A372 VanDerWaalsContact O-N 3.14Å |
| 369 | L | 81.8 | Confident | 84.4 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68 | -47.4 | 177.1 | 177 | 65.3 | 0 | 0 | 0 | 111.4 | R365 I366 I367 S371 A372 S373 F402 E406 | R365-L369 VanDerWaalsContact O-CB 3.23Å; R365-L369 WeakPolarHBondContact O-CB 3.44Å; R365-L369 PolarHBondContact O-N 3.07Å; I366-L369 PolarHBondContact O-N 2.88Å; I367-L369 VanDerWaalsContact C-N 3.3Å; I367-L369 PolarHBondContact O-N 3.45Å; L369-S371 VanDerWaalsContact C-N 3.3Å; L369-S371 PolarHBondContact O-N 2.93Å; L369-A372 PolarHBondContact O-N 3.28Å; L369-S373 WeakPolarHBondContact O-CB 3.5Å; L369-S373 PolarHBondContact O-N 3.5Å; L369-S373 PolarHBondContact O-OG 3.42Å; L369-F402 HydrophobicContact CD1-CB 4.09Å; L369-E406 HydrophobicContact CD2-CG 3.99Å |
| 370 | Q | 82.6 | Confident | 85.3 | Confident | 133 Ų | 133 | 54.7 Ų | 54.7 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.4 | -35.9 | -178.5 | -172.2 | 179.2 | 9.9 | 0 | 0 | 112.3 | I366 I367 S373 | I366-Q370 WeakPolarHBondContact O-CB 3.14Å; I366-Q370 PolarHBondContact O-N 3.22Å; I367-Q370 PolarHBondContact O-N 3.23Å; Q370-S373 PolarHBondContact O-OG 2.97Å |
| 371 | S | 75.4 | Confident | 86 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | I367 S368 L369 | I367-S371 WeakPolarHBondContact O-CB 3.43Å; I367-S371 PolarHBondContact O-N 2.99Å; I367-S371 PolarHBondContact O-OG 3.4Å; S368-S371 PolarHBondContact O-OG 2.88Å; L369-S371 VanDerWaalsContact C-N 3.3Å; L369-S371 PolarHBondContact O-N 2.93Å |
| 372 | A | 83 | Confident | 86.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.5 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S368 L369 V374 V375 Y376 F402 | S368-A372 WeakPolarHBondContact O-CB 3.47Å; S368-A372 PolarHBondContact O-N 3.49Å; S368-A372 VanDerWaalsContact O-N 3.14Å; L369-A372 PolarHBondContact O-N 3.28Å; A372-V374 VanDerWaalsContact C-N 3.35Å; A372-V374 PolarHBondContact O-N 3.25Å; A372-V375 WeakPolarHBondContact O-CB 3.46Å; A372-V375 PolarHBondContact O-N 3.04Å; A372-Y376 HydrophobicContact CB-CD2 4.35Å; A372-Y376 HydrophobicContact CB-CE2 4.21Å; A372-Y376 WeakPolarHBondContact O-CD2 3.42Å; A372-Y376 PolarHBondContact O-N 3.04Å; A372-Y376 VanDerWaalsContact O-N 3.08Å; A372-F402 HydrophobicContact CB-CD1 4.48Å; A372-F402 HydrophobicContact CB-CD2 4.15Å; A372-F402 HydrophobicContact CB-CE1 4.31Å; A372-F402 HydrophobicContact CB-CE2 4.02Å; A372-F402 HydrophobicContact CB-CG 4.38Å; A372-F402 HydrophobicContact CB-CZ 4.09Å |
| 373 | S | 87.2 | Confident | 87.4 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | -173 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | L369 Q370 V375 Y376 D377 | L369-S373 WeakPolarHBondContact O-CB 3.5Å; L369-S373 PolarHBondContact O-N 3.5Å; L369-S373 PolarHBondContact O-OG 3.42Å; Q370-S373 PolarHBondContact O-OG 2.97Å; S373-V375 VanDerWaalsContact C-N 3.26Å; S373-V375 PolarHBondContact O-N 3.45Å; S373-Y376 PolarHBondContact O-N 3.43Å; S373-Y376 VanDerWaalsContact O-N 3.14Å; S373-D377 VanDerWaalsContact O-CG 3.28Å; S373-D377 PolarHBondContact O-N 3.23Å |
| 374 | V | 89.8 | Confident | 87.9 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | R272 A372 D377 L378 | R272-V374 HydrophobicContact CG-CG1 4.46Å; A372-V374 VanDerWaalsContact C-N 3.35Å; A372-V374 PolarHBondContact O-N 3.25Å; V374-D377 PolarHBondContact O-N 2.85Å; V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 WeakPolarHBondContact O-CB 3.36Å; V374-L378 WeakPolarHBondContact O-CD1 3.39Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 3.12Å |
| 375 | V | 92.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | R272 L342 E346 A372 S373 L378 L379 | R272-V375 HydrophobicContact CG-CG2 4.38Å; L342-V375 HydrophobicContact CB-CG1 4.28Å; L342-V375 HydrophobicContact CD2-CG1 4.01Å; L342-V375 WeakPolarHBondContact O-CG1 3.32Å; E346-V375 HydrophobicContact CB-CG1 4.04Å; A372-V375 WeakPolarHBondContact O-CB 3.46Å; A372-V375 PolarHBondContact O-N 3.04Å; S373-V375 VanDerWaalsContact C-N 3.26Å; S373-V375 PolarHBondContact O-N 3.45Å; V375-L378 PolarHBondContact O-N 3.04Å; V375-L379 HydrophobicContact CG1-CD1 4.33Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 3.29Å |
| 376 | Y | 93.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -32.1 | 178.9 | -71.7 | -65.8 | 0 | 0 | 0 | 113.5 | E346 A372 S373 L379 T380 C395 A399 F402 | E346-Y376 HydrophobicContact CG-CE1 4.12Å; E346-Y376 WeakPolarHBondContact CG-OH 3.23Å; E346-Y376 WeakPolarHBondContact OE1-CE1 3.47Å; E346-Y376 PolarHBondContact OE1-OH 2.84Å; A372-Y376 HydrophobicContact CB-CD2 4.35Å; A372-Y376 HydrophobicContact CB-CE2 4.21Å; A372-Y376 WeakPolarHBondContact O-CD2 3.42Å; A372-Y376 PolarHBondContact O-N 3.04Å; A372-Y376 VanDerWaalsContact O-N 3.08Å; S373-Y376 PolarHBondContact O-N 3.43Å; S373-Y376 VanDerWaalsContact O-N 3.14Å; Y376-L379 HydrophobicContact CD1-CD1 3.88Å; Y376-L379 HydrophobicContact CE1-CD1 4.2Å; Y376-L379 PolarHBondContact O-N 3.4Å; Y376-T380 WeakPolarHBondContact O-CB 3.29Å; Y376-T380 PolarHBondContact O-N 2.99Å; Y376-T380 PolarHBondContact O-OG1 3.27Å; Y376-C395 WeakPolarHBondContact CE1-O 3.22Å; Y376-A399 HydrophobicContact CD1-CB 3.71Å; Y376-A399 HydrophobicContact CD2-CB 3.44Å; Y376-A399 VanDerWaalsContact CD2-CB 3.44Å; Y376-A399 HydrophobicContact CE1-CB 3.63Å; Y376-A399 HydrophobicContact CE2-CB 3.33Å; Y376-A399 HydrophobicContact CG-CB 3.63Å; Y376-A399 VanDerWaalsContact CZ-CB 3.43Å; Y376-F402 HydrophobicContact CE2-CD2 4.1Å; Y376-F402 AromaticContact CE2-CE2 3.96Å; Y376-F402 HydrophobicContact CE2-CE2 3.96Å |
| 377 | D | 94.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 172.1 | -71 | -26.2 | 0 | 0 | 0 | 111.1 | S373 V374 T380 I381 H408 | S373-D377 VanDerWaalsContact O-CG 3.28Å; S373-D377 PolarHBondContact O-N 3.23Å; V374-D377 PolarHBondContact O-N 2.85Å; D377-T380 VanDerWaalsContact O-CB 3.32Å; D377-T380 WeakPolarHBondContact O-CB 3.45Å; D377-T380 PolarHBondContact O-N 3.38Å; D377-I381 WeakPolarHBondContact O-CG1 3.42Å; D377-I381 PolarHBondContact O-N 3.29Å; D377-H408 IonicContact OD1-CD2 3.4Å; D377-H408 IonicContact OD1-CE1 3.63Å; D377-H408 PolarHBondContact OD1-CE1 3.32Å; D377-H408 IonicContact OD1-NE2 3.46Å; D377-H408 PolarHBondContact OD1-NE2 3.48Å; D377-H408 IonicContact OD2-NE2 2.65Å |
| 378 | L | 95.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 175.6 | -67.4 | 166.1 | 0 | 0 | 0 | 112.1 | R272 E276 L279 L342 V374 V375 T380 I381 A382 | R272-L378 HydrophobicContact CG-CD1 4.02Å; E276-L378 HydrophobicContact CG-CD1 3.39Å; E276-L378 HydrophobicContact CG-CD2 3.78Å; E276-L378 HydrophobicContact CG-CG 4.21Å; L279-L378 HydrophobicContact CD1-CB 4.14Å; L279-L378 HydrophobicContact CD1-CD2 4.06Å; L342-L378 HydrophobicContact CD1-CB 3.75Å; L342-L378 HydrophobicContact CD2-CB 3.59Å; L342-L378 HydrophobicContact CD2-CD1 3.82Å; L342-L378 HydrophobicContact CD2-CG 4.38Å; L342-L378 HydrophobicContact CG-CB 4.34Å; V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 WeakPolarHBondContact O-CB 3.36Å; V374-L378 WeakPolarHBondContact O-CD1 3.39Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 3.12Å; V375-L378 PolarHBondContact O-N 3.04Å; L378-T380 VanDerWaalsContact C-N 3.29Å; L378-T380 PolarHBondContact O-N 3.43Å; L378-I381 HydrophobicContact CD2-CD1 4.46Å; L378-I381 PolarHBondContact O-N 3.37Å; L378-A382 WeakPolarHBondContact O-CB 3.3Å; L378-A382 PolarHBondContact O-N 3.17Å |
| 379 | L | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 171.1 | -76.2 | 171.4 | 0 | 0 | 0 | 111.2 | L339 L342 V375 Y376 A382 L383 C395 | L339-L379 HydrophobicContact CD2-CD2 3.89Å; L342-L379 HydrophobicContact CB-CD2 3.63Å; L342-L379 HydrophobicContact CB-CG 3.94Å; L342-L379 HydrophobicContact CD1-CD2 3.88Å; L342-L379 HydrophobicContact CD1-CG 4.06Å; L342-L379 HydrophobicContact CG-CD2 4.4Å; V375-L379 HydrophobicContact CG1-CD1 4.33Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 3.29Å; Y376-L379 HydrophobicContact CD1-CD1 3.88Å; Y376-L379 HydrophobicContact CE1-CD1 4.2Å; Y376-L379 PolarHBondContact O-N 3.4Å; L379-A382 PolarHBondContact O-N 3.3Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 3.22Å; L379-C395 HydrophobicContact CD1-CB 4.48Å |
| 380 | T | 96.4 | Very high | 91 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | Y376 D377 L378 G384 L392 | Y376-T380 WeakPolarHBondContact O-CB 3.29Å; Y376-T380 PolarHBondContact O-N 2.99Å; Y376-T380 PolarHBondContact O-OG1 3.27Å; D377-T380 VanDerWaalsContact O-CB 3.32Å; D377-T380 WeakPolarHBondContact O-CB 3.45Å; D377-T380 PolarHBondContact O-N 3.38Å; L378-T380 VanDerWaalsContact C-N 3.29Å; L378-T380 PolarHBondContact O-N 3.43Å; T380-G384 VanDerWaalsContact O-CA 3.29Å; T380-G384 WeakPolarHBondContact O-CA 3.47Å; T380-G384 PolarHBondContact O-N 2.91Å; T380-L392 HydrophobicContact CG2-CD1 4.45Å; T380-L392 HydrophobicContact CG2-CD2 4.12Å |
| 381 | I | 95.7 | Very high | 91.5 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 176.7 | -67.6 | 165.6 | 0 | 0 | 0 | 111.4 | D377 L378 R385 | D377-I381 WeakPolarHBondContact O-CG1 3.42Å; D377-I381 PolarHBondContact O-N 3.29Å; L378-I381 HydrophobicContact CD2-CD1 4.46Å; L378-I381 PolarHBondContact O-N 3.37Å; I381-R385 WeakPolarHBondContact O-CB 3.34Å; I381-R385 VanDerWaalsContact O-CG 3.24Å; I381-R385 WeakPolarHBondContact O-CG 3.5Å; I381-R385 PolarHBondContact O-N 3.06Å; I381-R385 PolarHBondContact O-NE 3.35Å |
| 382 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -48.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L279 T335 L339 L378 L379 R385 | L279-A382 HydrophobicContact CD1-CB 4.13Å; L279-A382 HydrophobicContact CD2-CB 3.82Å; T335-A382 HydrophobicContact CG2-CB 4.46Å; L339-A382 HydrophobicContact CD2-CB 3.89Å; L339-A382 HydrophobicContact CG-CB 4.43Å; L378-A382 WeakPolarHBondContact O-CB 3.3Å; L378-A382 PolarHBondContact O-N 3.17Å; L379-A382 PolarHBondContact O-N 3.3Å; A382-R385 WeakPolarHBondContact O-CG 3.31Å |
| 383 | L | 93.3 | Very high | 93 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.7 | -38.8 | -179.8 | -65.2 | 171.7 | 0 | 0 | 0 | 111.5 | L339 L379 R385 R386 G387 Q388 M391 L392 | L339-L383 HydrophobicContact CD1-CD2 4.1Å; L339-L383 HydrophobicContact CD2-CD2 3.74Å; L339-L383 HydrophobicContact CD2-CG 3.92Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 3.22Å; L383-R385 PolarHBondContact O-N 2.97Å; L383-R386 CarbonylContact O-C 3.38Å; L383-R386 PolarHBondContact O-N 3.5Å; L383-G387 PolarHBondContact O-N 3.42Å; L383-Q388 HydrophobicContact CB-CB 4.22Å; L383-Q388 HydrophobicContact CD2-CB 3.99Å; L383-Q388 PolarHBondContact O-N 3.06Å; L383-M391 HydrophobicContact CD1-CG 4.17Å; L383-M391 HydrophobicContact CD1-SD 4.46Å; L383-M391 HydrophobicContact CD2-CG 4.43Å; L383-M391 HydrophobicContact CD2-SD 3.83Å; L383-L392 HydrophobicContact CB-CB 4.01Å; L383-L392 HydrophobicContact CB-CD1 4.49Å; L383-L392 HydrophobicContact CD1-CB 4.02Å; L383-L392 HydrophobicContact CD1-CD1 4.24Å |
| 384 | G | 92.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T380 R386 G387 Y389 | T380-G384 VanDerWaalsContact O-CA 3.29Å; T380-G384 WeakPolarHBondContact O-CA 3.47Å; T380-G384 PolarHBondContact O-N 2.91Å; G384-R386 VanDerWaalsContact C-N 3.25Å; G384-R386 PolarHBondContact O-N 2.95Å; G384-G387 PolarHBondContact O-N 3.29Å; G384-Y389 PolarHBondContact O-OH 3.26Å |
| 385 | R | 89.5 | Confident | 93.5 | Very high | 128 Ų | 128 | 46.3 Ų | 46.3 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.7 | 177.3 | 71 | 178.2 | 53.6 | -179 | -9.4 | 114 | L279 I381 A382 L383 | L279-R385 PolarHBondContact O-NH1 2.99Å; L279-R385 PolarHBondContact O-NH2 2.99Å; I381-R385 WeakPolarHBondContact O-CB 3.34Å; I381-R385 VanDerWaalsContact O-CG 3.24Å; I381-R385 WeakPolarHBondContact O-CG 3.5Å; I381-R385 PolarHBondContact O-N 3.06Å; I381-R385 PolarHBondContact O-NE 3.35Å; A382-R385 WeakPolarHBondContact O-CG 3.31Å; L383-R385 PolarHBondContact O-N 2.97Å |
| 386 | R | 89.4 | Confident | 93.6 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.1 | 175.3 | -64.1 | -58 | -161.8 | -138.4 | 6.3 | 112.6 | E284 E333 T335 L383 G384 Q388 | E284-R386 IonicContact OE1-CZ 2.59Å; E284-R386 VanDerWaalsContact OE1-CZ 3.32Å; E284-R386 IonicContact OE1-NH1 2.68Å; E284-R386 PolarHBondContact OE1-NH1 3.12Å; E284-R386 IonicContact OE1-NH2 3.93Å; E284-R386 PolarHBondContact OE1-NH2 3.18Å; E333-R386 IonicContact OE1-NH2 3.43Å; E333-R386 IonicContact OE2-NH2 2.68Å; E333-R386 PolarHBondContact OE2-NH2 3.08Å; T335-R386 HydrophobicContact CG2-CG 4.03Å; T335-R386 PolarHBondContact OG1-NE 2.98Å; T335-R386 PolarHBondContact OG1-NH2 3.44Å; L383-R386 CarbonylContact O-C 3.38Å; L383-R386 PolarHBondContact O-N 3.5Å; G384-R386 VanDerWaalsContact C-N 3.25Å; G384-R386 PolarHBondContact O-N 2.95Å; R386-Q388 HydrophobicContact CB-CG 4.08Å; R386-Q388 PolarHBondContact O-N 3.36Å; R386-Q388 PolarHBondContact O-NE2 2.86Å |
| 387 | G | 89.9 | Confident | 93.5 | Very high | 37 Ų | 37 | 49 Ų | 49 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 15.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L383 G384 Y389 | L383-G387 PolarHBondContact O-N 3.42Å; G384-G387 PolarHBondContact O-N 3.29Å; G387-Y389 WeakPolarHBondContact O-CD2 3.41Å; G387-Y389 PolarHBondContact O-N 3.17Å |
| 388 | Q | 93.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 51.6 Ų | 51.6 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | trans | -85.6 | 59.1 | -175.4 | -62.7 | -58.4 | -43.7 | 0 | 0 | 111.7 | L383 R386 E390 L392 | L383-Q388 HydrophobicContact CB-CB 4.22Å; L383-Q388 HydrophobicContact CD2-CB 3.99Å; L383-Q388 PolarHBondContact O-N 3.06Å; R386-Q388 HydrophobicContact CB-CG 4.08Å; R386-Q388 PolarHBondContact O-N 3.36Å; R386-Q388 PolarHBondContact O-NE2 2.86Å; Q388-E390 PolarHBondContact O-N 3.36Å; Q388-L392 WeakPolarHBondContact O-CB 3.26Å; Q388-L392 PolarHBondContact O-N 2.93Å; Q388-L392 VanDerWaalsContact O-N 3.11Å | ||
| 389 | Y | 92.7 | Very high | 93 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.7 | -27.6 | -172.5 | -53.6 | -61 | 0 | 0 | 0 | 113.7 | G384 G387 L392 S393 A419 | G384-Y389 PolarHBondContact O-OH 3.26Å; G387-Y389 WeakPolarHBondContact O-CD2 3.41Å; G387-Y389 PolarHBondContact O-N 3.17Å; Y389-L392 HydrophobicContact CD1-CD2 4.47Å; Y389-L392 PolarHBondContact O-N 2.95Å; Y389-S393 WeakPolarHBondContact O-CB 3.18Å; Y389-S393 PolarHBondContact O-N 3.38Å; Y389-A419 HydrophobicContact CD1-CB 3.68Å; Y389-A419 HydrophobicContact CD2-CB 3.77Å; Y389-A419 HydrophobicContact CE1-CB 4.14Å; Y389-A419 HydrophobicContact CE2-CB 4.21Å; Y389-A419 HydrophobicContact CG-CB 3.49Å; Y389-A419 VanDerWaalsContact CG-CB 3.49Å |
| 390 | E | 93.1 | Very high | 92.7 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.7 | -54.3 | 176.7 | -68.6 | -168.9 | 170.3 | 0 | 0 | 111.4 | Q388 L392 S393 E394 A420 | Q388-E390 PolarHBondContact O-N 3.36Å; E390-L392 VanDerWaalsContact C-N 3.27Å; E390-L392 PolarHBondContact O-N 3.32Å; E390-S393 PolarHBondContact O-N 3.15Å; E390-S393 VanDerWaalsContact O-N 3.15Å; E390-S393 PolarHBondContact O-OG 3.08Å; E390-E394 PolarHBondContact O-N 2.98Å; E390-A420 HydrophobicContact CG-CB 4.14Å |
| 391 | M | 93.1 | Very high | 92.1 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.4 | -175 | -179.7 | 178.4 | 0 | 0 | 111.3 | L383 S393 E394 C395 | L383-M391 HydrophobicContact CD1-CG 4.17Å; L383-M391 HydrophobicContact CD1-SD 4.46Å; L383-M391 HydrophobicContact CD2-CG 4.43Å; L383-M391 HydrophobicContact CD2-SD 3.83Å; M391-S393 VanDerWaalsContact C-N 3.34Å; M391-S393 PolarHBondContact O-N 3.35Å; M391-E394 PolarHBondContact O-N 3.3Å; M391-C395 PolarHBondContact O-N 3.24Å; M391-C395 PolarHBondContact O-SG 2.83Å |
| 392 | L | 94.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.7 | 176.8 | 57.4 | 0 | 0 | 0 | 112 | T380 L383 Q388 Y389 E390 E394 C395 L396 | T380-L392 HydrophobicContact CG2-CD1 4.45Å; T380-L392 HydrophobicContact CG2-CD2 4.12Å; L383-L392 HydrophobicContact CB-CB 4.01Å; L383-L392 HydrophobicContact CB-CD1 4.49Å; L383-L392 HydrophobicContact CD1-CB 4.02Å; L383-L392 HydrophobicContact CD1-CD1 4.24Å; Q388-L392 WeakPolarHBondContact O-CB 3.26Å; Q388-L392 PolarHBondContact O-N 2.93Å; Q388-L392 VanDerWaalsContact O-N 3.11Å; Y389-L392 HydrophobicContact CD1-CD2 4.47Å; Y389-L392 PolarHBondContact O-N 2.95Å; E390-L392 VanDerWaalsContact C-N 3.27Å; E390-L392 PolarHBondContact O-N 3.32Å; L392-E394 PolarHBondContact O-N 3.13Å; L392-C395 WeakPolarHBondContact O-CB 3.36Å; L392-C395 PolarHBondContact O-N 3.31Å; L392-L396 HydrophobicContact CD1-CD1 3.89Å; L392-L396 HydrophobicContact CD1-CG 4.03Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.87Å |
| 393 | S | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -38 | 177.3 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | Y389 E390 M391 L396 E397 S416 K422 | Y389-S393 WeakPolarHBondContact O-CB 3.18Å; Y389-S393 PolarHBondContact O-N 3.38Å; E390-S393 PolarHBondContact O-N 3.15Å; E390-S393 VanDerWaalsContact O-N 3.15Å; E390-S393 PolarHBondContact O-OG 3.08Å; M391-S393 VanDerWaalsContact C-N 3.34Å; M391-S393 PolarHBondContact O-N 3.35Å; S393-L396 PolarHBondContact O-N 3.19Å; S393-E397 WeakPolarHBondContact O-CB 3.47Å; S393-E397 VanDerWaalsContact O-CG 3.26Å; S393-E397 WeakPolarHBondContact O-CG 3.39Å; S393-E397 PolarHBondContact O-N 3.11Å; S393-S416 WeakPolarHBondContact CA-OG 3.41Å; S393-K422 PolarHBondContact OG-NZ 3.28Å |
| 394 | E | 94.4 | Very high | 89.4 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 176.2 | -65.7 | 175.8 | -174.3 | 0 | 0 | 112.4 | E390 M391 L392 E397 R398 | E390-E394 PolarHBondContact O-N 2.98Å; M391-E394 PolarHBondContact O-N 3.3Å; L392-E394 PolarHBondContact O-N 3.13Å; E394-E397 PolarHBondContact O-N 3.43Å; E394-R398 WeakPolarHBondContact O-CG 3.45Å; E394-R398 PolarHBondContact O-N 2.9Å |
| 395 | C | 93.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 173 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | Y376 L379 M391 L392 E397 R398 A399 | Y376-C395 WeakPolarHBondContact CE1-O 3.22Å; L379-C395 HydrophobicContact CD1-CB 4.48Å; M391-C395 PolarHBondContact O-N 3.24Å; M391-C395 PolarHBondContact O-SG 2.83Å; L392-C395 WeakPolarHBondContact O-CB 3.36Å; L392-C395 PolarHBondContact O-N 3.31Å; C395-E397 VanDerWaalsContact C-N 3.35Å; C395-R398 WeakPolarHBondContact O-CB 3.42Å; C395-R398 PolarHBondContact O-N 3.5Å; C395-R398 PolarHBondContact SG-NH2 3.39Å; C395-A399 PolarHBondContact O-N 2.92Å |
| 396 | L | 94.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.7 | -32 | 179.5 | -68 | 171.9 | 0 | 0 | 0 | 112.1 | L392 S393 R398 A399 M400 L409 Q412 L413 | L392-L396 HydrophobicContact CD1-CD1 3.89Å; L392-L396 HydrophobicContact CD1-CG 4.03Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.87Å; S393-L396 PolarHBondContact O-N 3.19Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 2.98Å; L396-A399 WeakPolarHBondContact O-CA 3.42Å; L396-A399 VanDerWaalsContact O-CB 3.25Å; L396-A399 WeakPolarHBondContact O-CB 3.42Å; L396-A399 PolarHBondContact O-N 3.1Å; L396-A399 VanDerWaalsContact O-N 3.13Å; L396-M400 WeakPolarHBondContact O-CG 3.45Å; L396-M400 PolarHBondContact O-N 2.9Å; L396-M400 VanDerWaalsContact O-N 3.12Å; L396-L409 HydrophobicContact CD2-CD1 3.92Å; L396-Q412 HydrophobicContact CD1-CB 3.96Å; L396-Q412 HydrophobicContact CD2-CB 4.38Å; L396-L413 HydrophobicContact CB-CB 4.26Å; L396-L413 HydrophobicContact CB-CD1 3.95Å |
| 397 | E | 92.6 | Very high | 88.9 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 170.1 | -79.2 | 173.9 | -152.2 | 0 | 0 | 112.2 | S393 E394 C395 A399 M400 L413 R425 | S393-E397 WeakPolarHBondContact O-CB 3.47Å; S393-E397 VanDerWaalsContact O-CG 3.26Å; S393-E397 WeakPolarHBondContact O-CG 3.39Å; S393-E397 PolarHBondContact O-N 3.11Å; E394-E397 PolarHBondContact O-N 3.43Å; C395-E397 VanDerWaalsContact C-N 3.35Å; E397-A399 PolarHBondContact O-N 3.46Å; E397-M400 WeakPolarHBondContact O-CB 3.41Å; E397-M400 PolarHBondContact O-N 3.23Å; E397-M400 VanDerWaalsContact O-N 3.17Å; E397-L413 HydrophobicContact CG-CD1 3.73Å; E397-L413 HydrophobicContact CG-CD2 4.25Å; E397-R425 IonicContact OE1-CZ 3.49Å; E397-R425 IonicContact OE1-NH1 3.71Å; E397-R425 PolarHBondContact OE1-NH1 3.18Å; E397-R425 IonicContact OE1-NH2 2.65Å; E397-R425 PolarHBondContact OE1-NH2 3.09Å; E397-R425 IonicContact OE2-CZ 2.75Å; E397-R425 IonicContact OE2-NH1 2.63Å; E397-R425 IonicContact OE2-NH2 3.46Å; E397-R425 PolarHBondContact OE2-NH2 3.4Å |
| 398 | R | 90.1 | Very high | 89.1 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -33.8 | 173.3 | -68.5 | -177.8 | -65.7 | 137.7 | 3.6 | 111.8 | E346 E394 C395 L396 M400 K401 | E346-R398 IonicContact OE1-CZ 2.85Å; E346-R398 IonicContact OE1-NE 2.82Å; E346-R398 IonicContact OE1-NH1 3.94Å; E346-R398 PolarHBondContact OE1-NH1 3.49Å; E346-R398 IonicContact OE1-NH2 3.37Å; E346-R398 PolarHBondContact OE1-NH2 2.86Å; E346-R398 IonicContact OE2-CZ 3.03Å; E346-R398 IonicContact OE2-NH1 3.45Å; E346-R398 PolarHBondContact OE2-NH1 3.43Å; E346-R398 IonicContact OE2-NH2 3.12Å; E346-R398 PolarHBondContact OE2-NH2 2.91Å; E346-R398 VanDerWaalsContact OE2-NH2 3.12Å; E394-R398 WeakPolarHBondContact O-CG 3.45Å; E394-R398 PolarHBondContact O-N 2.9Å; C395-R398 WeakPolarHBondContact O-CB 3.42Å; C395-R398 PolarHBondContact O-N 3.5Å; C395-R398 PolarHBondContact SG-NH2 3.39Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 2.98Å; R398-M400 VanDerWaalsContact C-N 3.28Å; R398-M400 PolarHBondContact O-N 3.32Å; R398-K401 WeakPolarHBondContact O-CD 3.45Å; R398-K401 WeakPolarHBondContact O-CE 3.36Å; R398-K401 VanDerWaalsContact O-CG 3.28Å; R398-K401 WeakPolarHBondContact O-CG 3.27Å |
| 399 | A | 89.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -26.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y376 C395 L396 E397 K401 F402 L409 | Y376-A399 HydrophobicContact CD1-CB 3.71Å; Y376-A399 HydrophobicContact CD2-CB 3.44Å; Y376-A399 VanDerWaalsContact CD2-CB 3.44Å; Y376-A399 HydrophobicContact CE1-CB 3.63Å; Y376-A399 HydrophobicContact CE2-CB 3.33Å; Y376-A399 HydrophobicContact CG-CB 3.63Å; Y376-A399 VanDerWaalsContact CZ-CB 3.43Å; C395-A399 PolarHBondContact O-N 2.92Å; L396-A399 WeakPolarHBondContact O-CA 3.42Å; L396-A399 VanDerWaalsContact O-CB 3.25Å; L396-A399 WeakPolarHBondContact O-CB 3.42Å; L396-A399 PolarHBondContact O-N 3.1Å; L396-A399 VanDerWaalsContact O-N 3.13Å; E397-A399 PolarHBondContact O-N 3.46Å; A399-K401 PolarHBondContact O-N 3.05Å; A399-F402 WeakPolarHBondContact O-CB 3.43Å; A399-F402 VanDerWaalsContact O-CD2 3.3Å; A399-F402 WeakPolarHBondContact O-CD2 3.46Å; A399-F402 PolarHBondContact O-N 2.92Å; A399-L409 HydrophobicContact CB-CD1 3.81Å; A399-L409 HydrophobicContact CB-CD2 3.78Å; A399-L409 HydrophobicContact CB-CG 4.28Å; A399-L409 WeakPolarHBondContact O-CD2 3.36Å |
| 400 | M | 88.3 | Confident | 89.2 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.8 | -176.9 | -66.6 | -53.9 | -67.8 | 0 | 0 | 114.4 | L396 E397 R398 F402 A403 L409 W410 L413 | L396-M400 WeakPolarHBondContact O-CG 3.45Å; L396-M400 PolarHBondContact O-N 2.9Å; L396-M400 VanDerWaalsContact O-N 3.12Å; E397-M400 WeakPolarHBondContact O-CB 3.41Å; E397-M400 PolarHBondContact O-N 3.23Å; E397-M400 VanDerWaalsContact O-N 3.17Å; R398-M400 VanDerWaalsContact C-N 3.28Å; R398-M400 PolarHBondContact O-N 3.32Å; M400-F402 PolarHBondContact O-N 3.5Å; M400-A403 HydrophobicContact CE-CB 3.98Å; M400-A403 PolarHBondContact O-N 3.22Å; M400-A403 VanDerWaalsContact O-N 3.13Å; M400-A403 HydrophobicContact SD-CB 4.26Å; M400-L409 HydrophobicContact SD-CD2 3.9Å; M400-L409 HydrophobicContact SD-CG 3.89Å; M400-W410 HydrophobicContact CE-CD2 3.41Å; M400-W410 VanDerWaalsContact CE-CD2 3.41Å; M400-W410 HydrophobicContact CE-CE3 3.93Å; M400-W410 HydrophobicContact CE-CG 3.81Å; M400-W410 HydrophobicContact CE-CH2 3.99Å; M400-W410 HydrophobicContact CE-CZ2 3.51Å; M400-W410 HydrophobicContact CE-CZ3 4.18Å; M400-L413 HydrophobicContact CE-CD2 4.46Å; M400-L413 HydrophobicContact CG-CD2 3.66Å; M400-L413 HydrophobicContact SD-CB 4.49Å; M400-L413 HydrophobicContact SD-CD2 3.78Å |
| 401 | K | 84.8 | Confident | 89.3 | Confident | 100 Ų | 100 | 49.6 Ų | 49.6 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.2 | 171.7 | 71.4 | -167.7 | 172.6 | -178.9 | 0 | 113.3 | N350 L355 R398 A399 | N350-K401 PolarHBondContact ND2-NZ 3.4Å; N350-K401 WeakPolarHBondContact OD1-CE 3.15Å; N350-K401 PolarHBondContact OD1-NZ 3.4Å; L355-K401 HydrophobicContact CD2-CG 4.42Å; R398-K401 WeakPolarHBondContact O-CD 3.45Å; R398-K401 WeakPolarHBondContact O-CE 3.36Å; R398-K401 VanDerWaalsContact O-CG 3.28Å; R398-K401 WeakPolarHBondContact O-CG 3.27Å; A399-K401 PolarHBondContact O-N 3.05Å |
| 402 | F | 79.1 | Confident | 89.5 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -20.7 | 176.2 | -58.9 | -75.6 | 0 | 0 | 0 | 113 | N350 A353 L355 L369 A372 Y376 A399 M400 F404 | N350-F402 VanDerWaalsContact OD1-CE2 3.26Å; N350-F402 WeakPolarHBondContact OD1-CE2 3.25Å; N350-F402 WeakPolarHBondContact OD1-CZ 3.35Å; A353-F402 HydrophobicContact CB-CD1 4.44Å; A353-F402 HydrophobicContact CB-CE1 3.45Å; A353-F402 VanDerWaalsContact CB-CE1 3.45Å; A353-F402 HydrophobicContact CB-CZ 4.08Å; L355-F402 HydrophobicContact CD2-CD1 4.25Å; L355-F402 HydrophobicContact CD2-CE1 4.43Å; L369-F402 HydrophobicContact CD1-CB 4.09Å; A372-F402 HydrophobicContact CB-CD1 4.48Å; A372-F402 HydrophobicContact CB-CD2 4.15Å; A372-F402 HydrophobicContact CB-CE1 4.31Å; A372-F402 HydrophobicContact CB-CE2 4.02Å; A372-F402 HydrophobicContact CB-CG 4.38Å; A372-F402 HydrophobicContact CB-CZ 4.09Å; Y376-F402 HydrophobicContact CE2-CD2 4.1Å; Y376-F402 AromaticContact CE2-CE2 3.96Å; Y376-F402 HydrophobicContact CE2-CE2 3.96Å; A399-F402 WeakPolarHBondContact O-CB 3.43Å; A399-F402 VanDerWaalsContact O-CD2 3.3Å; A399-F402 WeakPolarHBondContact O-CD2 3.46Å; A399-F402 PolarHBondContact O-N 2.92Å; M400-F402 PolarHBondContact O-N 3.5Å; F402-F404 PolarHBondContact O-N 3.13Å |
| 403 | A | 72.5 | Confident | 89.6 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | trans | -80 | 115.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M400 L409 | M400-A403 HydrophobicContact CE-CB 3.98Å; M400-A403 PolarHBondContact O-N 3.22Å; M400-A403 VanDerWaalsContact O-N 3.13Å; M400-A403 HydrophobicContact SD-CB 4.26Å; A403-L409 HydrophobicContact CB-CB 4.33Å; A403-L409 HydrophobicContact CB-CD2 3.58Å; A403-L409 HydrophobicContact CB-CG 4.47Å | ||
| 404 | F | 74.8 | Confident | 89.6 | Confident | 118 Ų | 118 | 48.1 Ų | 48.1 | 52% | 0.518 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -117.5 | 102.8 | 162.9 | -175.7 | -99.1 | 0 | 0 | 0 | 108.6 | F402 E406 | F402-F404 PolarHBondContact O-N 3.13Å; F404-E406 PolarHBondContact O-N 3.49Å |
| 405 | E | 80.4 | Confident | 89.8 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 50% | 0.495 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 51.9 | 25.6 | -177.7 | -57.3 | -160.4 | 124.4 | 0 | 0 | 115 | F407 R435 L436 | E405-F407 PolarHBondContact O-N 3.16Å; E405-R435 IonicContact OE1-CZ 3.57Å; E405-R435 IonicContact OE1-NH1 2.76Å; E405-R435 PolarHBondContact OE1-NH1 3Å; E405-R435 IonicContact OE1-NH2 2.71Å; E405-R435 PolarHBondContact OE1-NH2 2.86Å; E405-L436 HydrophobicContact CB-CD2 3.85Å; E405-L436 HydrophobicContact CG-CD2 4.23Å |
| 406 | E | 88.7 | Confident | 89.9 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | trans | -87.5 | 107.9 | -179.5 | -160.4 | -62.1 | 113.6 | 0 | 0 | 110.1 | L369 F404 H408 L409 W410 | L369-E406 HydrophobicContact CD2-CG 3.99Å; F404-E406 PolarHBondContact O-N 3.49Å; E406-H408 VanDerWaalsContact CD-N 3.29Å; E406-H408 PolarHBondContact O-N 3.5Å; E406-H408 VanDerWaalsContact OE1-CB 3.25Å; E406-H408 WeakPolarHBondContact OE1-CB 3.47Å; E406-H408 PolarHBondContact OE1-N 3.43Å; E406-H408 WeakPolarHBondContact OE2-CA 3.47Å; E406-H408 WeakPolarHBondContact OE2-CB 3.3Å; E406-H408 PolarHBondContact OE2-N 2.94Å; E406-H408 VanDerWaalsContact OE2-N 3.1Å; E406-L409 WeakPolarHBondContact OE2-CB 3.34Å; E406-L409 PolarHBondContact OE2-N 2.9Å; E406-W410 VanDerWaalsContact O-CD1 3.22Å | ||
| 407 | F | 92.5 | Very high | 90 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | -172.7 | 172.1 | -98.5 | 0 | 0 | 0 | 113.8 | E405 L409 W410 Y411 C433 L436 K437 I443 | E405-F407 PolarHBondContact O-N 3.16Å; F407-L409 PolarHBondContact O-N 2.93Å; F407-W410 PolarHBondContact O-N 3.08Å; F407-Y411 HydrophobicContact CE1-CD1 4.16Å; F407-Y411 HydrophobicContact CE1-CG 4.15Å; F407-Y411 HydrophobicContact CE2-CG 4.49Å; F407-Y411 HydrophobicContact CZ-CD1 4.15Å; F407-Y411 HydrophobicContact CZ-CD2 4.16Å; F407-Y411 AromaticContact CZ-CG 3.83Å; F407-Y411 HydrophobicContact CZ-CG 3.83Å; F407-Y411 VanDerWaalsContact O-CB 3.29Å; F407-Y411 WeakPolarHBondContact O-CB 3.31Å; F407-Y411 PolarHBondContact O-N 3.13Å; F407-C433 HydrophobicContact CE2-CB 4.16Å; F407-L436 HydrophobicContact CD2-CB 4.18Å; F407-K437 HydrophobicContact CD1-CD 4.24Å; F407-K437 HydrophobicContact CD2-CB 3.65Å; F407-K437 HydrophobicContact CD2-CD 4.24Å; F407-K437 HydrophobicContact CE1-CD 3.83Å; F407-K437 HydrophobicContact CE2-CB 3.55Å; F407-K437 HydrophobicContact CE2-CD 3.82Å; F407-K437 HydrophobicContact CE2-CG 4.36Å; F407-K437 HydrophobicContact CG-CB 4.38Å; F407-K437 HydrophobicContact CG-CD 4.44Å; F407-K437 HydrophobicContact CZ-CB 4.23Å; F407-K437 HydrophobicContact CZ-CD 3.6Å; F407-I443 HydrophobicContact CE2-CD1 3.58Å; F407-I443 HydrophobicContact CZ-CD1 3.81Å |
| 408 | H | 93.1 | Very high | 90.2 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | -173.9 | 170.9 | 71.9 | 0 | 0 | 0 | 111.7 | D377 E406 Y411 Q412 | D377-H408 IonicContact OD1-CD2 3.4Å; D377-H408 IonicContact OD1-CE1 3.63Å; D377-H408 PolarHBondContact OD1-CE1 3.32Å; D377-H408 IonicContact OD1-NE2 3.46Å; D377-H408 PolarHBondContact OD1-NE2 3.48Å; D377-H408 IonicContact OD2-NE2 2.65Å; E406-H408 VanDerWaalsContact CD-N 3.29Å; E406-H408 PolarHBondContact O-N 3.5Å; E406-H408 VanDerWaalsContact OE1-CB 3.25Å; E406-H408 WeakPolarHBondContact OE1-CB 3.47Å; E406-H408 PolarHBondContact OE1-N 3.43Å; E406-H408 WeakPolarHBondContact OE2-CA 3.47Å; E406-H408 WeakPolarHBondContact OE2-CB 3.3Å; E406-H408 PolarHBondContact OE2-N 2.94Å; E406-H408 VanDerWaalsContact OE2-N 3.1Å; H408-Y411 PolarHBondContact O-N 3.41Å; H408-Q412 PolarHBondContact CE1-NE2 3.45Å; H408-Q412 WeakPolarHBondContact O-CG 3.45Å; H408-Q412 PolarHBondContact O-N 2.84Å |
| 409 | L | 92.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | -178 | -163.4 | 67.7 | 0 | 0 | 0 | 112.4 | L396 A399 M400 A403 E406 F407 Y411 L413 | L396-L409 HydrophobicContact CD2-CD1 3.92Å; A399-L409 HydrophobicContact CB-CD1 3.81Å; A399-L409 HydrophobicContact CB-CD2 3.78Å; A399-L409 HydrophobicContact CB-CG 4.28Å; A399-L409 WeakPolarHBondContact O-CD2 3.36Å; M400-L409 HydrophobicContact SD-CD2 3.9Å; M400-L409 HydrophobicContact SD-CG 3.89Å; A403-L409 HydrophobicContact CB-CB 4.33Å; A403-L409 HydrophobicContact CB-CD2 3.58Å; A403-L409 HydrophobicContact CB-CG 4.47Å; E406-L409 WeakPolarHBondContact OE2-CB 3.34Å; E406-L409 PolarHBondContact OE2-N 2.9Å; F407-L409 PolarHBondContact O-N 2.93Å; L409-Y411 VanDerWaalsContact C-N 3.27Å; L409-Y411 PolarHBondContact O-N 3.15Å; L409-L413 WeakPolarHBondContact O-CB 3.39Å; L409-L413 PolarHBondContact O-N 3.47Å |
| 410 | W | 95.2 | Very high | 90.4 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 172.2 | -81.8 | 94.6 | 0 | 0 | 0 | 110.9 | M400 E406 F407 L413 A414 V429 E432 C433 L436 | M400-W410 HydrophobicContact CE-CD2 3.41Å; M400-W410 VanDerWaalsContact CE-CD2 3.41Å; M400-W410 HydrophobicContact CE-CE3 3.93Å; M400-W410 HydrophobicContact CE-CG 3.81Å; M400-W410 HydrophobicContact CE-CH2 3.99Å; M400-W410 HydrophobicContact CE-CZ2 3.51Å; M400-W410 HydrophobicContact CE-CZ3 4.18Å; E406-W410 VanDerWaalsContact O-CD1 3.22Å; F407-W410 PolarHBondContact O-N 3.08Å; W410-L413 PolarHBondContact O-N 3.47Å; W410-A414 WeakPolarHBondContact O-CB 3.26Å; W410-A414 PolarHBondContact O-N 3.43Å; W410-V429 HydrophobicContact CE3-CG1 3.7Å; W410-V429 HydrophobicContact CZ3-CG1 4.22Å; W410-V429 VanDerWaalsContact O-CG1 3.31Å; W410-V429 WeakPolarHBondContact O-CG1 3.38Å; W410-E432 HydrophobicContact CD2-CB 4.25Å; W410-E432 HydrophobicContact CE3-CB 3.62Å; W410-E432 HydrophobicContact CE3-CG 4.17Å; W410-E432 HydrophobicContact CH2-CB 4.32Å; W410-E432 HydrophobicContact CH2-CG 4.04Å; W410-E432 HydrophobicContact CZ3-CB 3.67Å; W410-E432 HydrophobicContact CZ3-CG 3.67Å; W410-C433 VanDerWaalsContact C-SG 3.52Å; W410-L436 HydrophobicContact CB-CD1 4.23Å; W410-L436 HydrophobicContact CG-CD1 3.92Å |
| 411 | Y | 96.4 | Very high | 90.4 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70 | -45.3 | -179.2 | -168.5 | -128.2 | 0 | 0 | 0 | 112.5 | F407 H408 L409 L413 A414 L415 I443 L446 | F407-Y411 HydrophobicContact CE1-CD1 4.16Å; F407-Y411 HydrophobicContact CE1-CG 4.15Å; F407-Y411 HydrophobicContact CE2-CG 4.49Å; F407-Y411 HydrophobicContact CZ-CD1 4.15Å; F407-Y411 HydrophobicContact CZ-CD2 4.16Å; F407-Y411 AromaticContact CZ-CG 3.83Å; F407-Y411 HydrophobicContact CZ-CG 3.83Å; F407-Y411 VanDerWaalsContact O-CB 3.29Å; F407-Y411 WeakPolarHBondContact O-CB 3.31Å; F407-Y411 PolarHBondContact O-N 3.13Å; H408-Y411 PolarHBondContact O-N 3.41Å; L409-Y411 VanDerWaalsContact C-N 3.27Å; L409-Y411 PolarHBondContact O-N 3.15Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 3.12Å; Y411-A414 WeakPolarHBondContact O-CB 3.44Å; Y411-A414 PolarHBondContact O-N 3.49Å; Y411-A414 VanDerWaalsContact O-N 3.16Å; Y411-L415 HydrophobicContact CD1-CD1 4.1Å; Y411-L415 HydrophobicContact CE1-CD1 3.79Å; Y411-L415 HydrophobicContact CE1-CG 4.48Å; Y411-L415 HydrophobicContact CE2-CD1 4.44Å; Y411-L415 HydrophobicContact CE2-CD2 4.21Å; Y411-L415 HydrophobicContact CE2-CG 4.27Å; Y411-L415 WeakPolarHBondContact O-CG 3.48Å; Y411-L415 PolarHBondContact O-N 3.19Å; Y411-I443 HydrophobicContact CE2-CG1 4.08Å; Y411-L446 HydrophobicContact CE2-CD1 4.44Å |
| 412 | Q | 96.1 | Very high | 90.9 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -41 | 174.3 | -64.6 | -51 | -31.3 | 0 | 0 | 111.8 | L396 H408 A414 L415 S416 | L396-Q412 HydrophobicContact CD1-CB 3.96Å; L396-Q412 HydrophobicContact CD2-CB 4.38Å; H408-Q412 PolarHBondContact CE1-NE2 3.45Å; H408-Q412 WeakPolarHBondContact O-CG 3.45Å; H408-Q412 PolarHBondContact O-N 2.84Å; Q412-A414 PolarHBondContact O-N 2.94Å; Q412-L415 PolarHBondContact O-N 3.21Å; Q412-S416 WeakPolarHBondContact O-CB 3.45Å; Q412-S416 PolarHBondContact O-N 3.15Å; Q412-S416 PolarHBondContact O-OG 3.49Å |
| 413 | L | 96.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 175 | 177 | 59.2 | 0 | 0 | 0 | 111.1 | L396 E397 M400 L409 W410 Y411 L415 S416 L417 V429 | L396-L413 HydrophobicContact CB-CB 4.26Å; L396-L413 HydrophobicContact CB-CD1 3.95Å; E397-L413 HydrophobicContact CG-CD1 3.73Å; E397-L413 HydrophobicContact CG-CD2 4.25Å; M400-L413 HydrophobicContact CE-CD2 4.46Å; M400-L413 HydrophobicContact CG-CD2 3.66Å; M400-L413 HydrophobicContact SD-CB 4.49Å; M400-L413 HydrophobicContact SD-CD2 3.78Å; L409-L413 WeakPolarHBondContact O-CB 3.39Å; L409-L413 PolarHBondContact O-N 3.47Å; W410-L413 PolarHBondContact O-N 3.47Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 3.12Å; L413-L415 PolarHBondContact O-N 3.47Å; L413-S416 PolarHBondContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 2.79Å; L413-L417 HydrophobicContact CD1-CD1 3.95Å; L413-L417 HydrophobicContact CD1-CG 3.95Å; L413-L417 HydrophobicContact CG-CD1 3.93Å; L413-L417 HydrophobicContact CG-CG 4.39Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.38Å; L413-L417 PolarHBondContact O-N 2.94Å; L413-V429 HydrophobicContact CB-CG1 4.43Å; L413-V429 HydrophobicContact CD2-CG1 4.35Å; L413-V429 HydrophobicContact CD2-CG2 4.43Å; L413-V429 HydrophobicContact CG-CG1 4.28Å |
| 414 | A | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W410 Y411 Q412 L417 M418 V429 L430 | W410-A414 WeakPolarHBondContact O-CB 3.26Å; W410-A414 PolarHBondContact O-N 3.43Å; Y411-A414 WeakPolarHBondContact O-CB 3.44Å; Y411-A414 PolarHBondContact O-N 3.49Å; Y411-A414 VanDerWaalsContact O-N 3.16Å; Q412-A414 PolarHBondContact O-N 2.94Å; A414-L417 PolarHBondContact O-N 3.28Å; A414-M418 WeakPolarHBondContact O-CB 3.37Å; A414-M418 PolarHBondContact O-N 2.95Å; A414-V429 HydrophobicContact CB-CB 4.13Å; A414-V429 HydrophobicContact CB-CG1 3.74Å; A414-L430 HydrophobicContact CB-CD2 3.68Å; A414-L430 HydrophobicContact CB-CG 3.95Å |
| 415 | L | 97.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.8 | -65.1 | 177.7 | 0 | 0 | 0 | 111.9 | Y411 Q412 L413 M418 A419 L446 | Y411-L415 HydrophobicContact CD1-CD1 4.1Å; Y411-L415 HydrophobicContact CE1-CD1 3.79Å; Y411-L415 HydrophobicContact CE1-CG 4.48Å; Y411-L415 HydrophobicContact CE2-CD1 4.44Å; Y411-L415 HydrophobicContact CE2-CD2 4.21Å; Y411-L415 HydrophobicContact CE2-CG 4.27Å; Y411-L415 WeakPolarHBondContact O-CG 3.48Å; Y411-L415 PolarHBondContact O-N 3.19Å; Q412-L415 PolarHBondContact O-N 3.21Å; L413-L415 PolarHBondContact O-N 3.47Å; L415-M418 WeakPolarHBondContact O-CB 3.22Å; L415-M418 PolarHBondContact O-N 3.15Å; L415-A419 WeakPolarHBondContact O-CB 3.49Å; L415-A419 PolarHBondContact O-N 2.9Å; L415-L446 HydrophobicContact CD2-CD1 3.82Å |
| 416 | S | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.8 | 72 | 0 | 0 | 0 | 0 | 112.5 | S393 Q412 L413 M418 A419 A420 | S393-S416 WeakPolarHBondContact CA-OG 3.41Å; Q412-S416 WeakPolarHBondContact O-CB 3.45Å; Q412-S416 PolarHBondContact O-N 3.15Å; Q412-S416 PolarHBondContact O-OG 3.49Å; L413-S416 PolarHBondContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 2.79Å; S416-M418 VanDerWaalsContact C-N 3.33Å; S416-M418 PolarHBondContact O-N 3.45Å; S416-A419 PolarHBondContact O-N 3.34Å; S416-A420 VanDerWaalsContact O-CB 3.23Å; S416-A420 WeakPolarHBondContact O-CB 3.49Å; S416-A420 PolarHBondContact O-N 3.37Å |
| 417 | L | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 175.5 | -73 | 170.9 | 0 | 0 | 0 | 111.9 | L413 A414 G421 K422 R425 A426 V429 | L413-L417 HydrophobicContact CD1-CD1 3.95Å; L413-L417 HydrophobicContact CD1-CG 3.95Å; L413-L417 HydrophobicContact CG-CD1 3.93Å; L413-L417 HydrophobicContact CG-CG 4.39Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.38Å; L413-L417 PolarHBondContact O-N 2.94Å; A414-L417 PolarHBondContact O-N 3.28Å; L417-G421 PolarHBondContact O-N 3.21Å; L417-K422 HydrophobicContact CB-CB 4.46Å; L417-K422 HydrophobicContact CD2-CB 3.98Å; L417-K422 HydrophobicContact CD2-CD 3.71Å; L417-K422 HydrophobicContact CD2-CG 4.47Å; L417-K422 PolarHBondContact O-N 3.49Å; L417-R425 HydrophobicContact CD1-CB 4.16Å; L417-R425 HydrophobicContact CD2-CB 4.43Å; L417-A426 HydrophobicContact CB-CB 3.81Å; L417-V429 HydrophobicContact CD1-CB 4.45Å; L417-V429 HydrophobicContact CD1-CG2 3.69Å |
| 418 | M | 95.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 174.2 | -176.4 | 178.1 | -62.8 | 0 | 0 | 111.1 | A414 L415 S416 A420 G421 A426 L430 L446 L450 | A414-M418 WeakPolarHBondContact O-CB 3.37Å; A414-M418 PolarHBondContact O-N 2.95Å; L415-M418 WeakPolarHBondContact O-CB 3.22Å; L415-M418 PolarHBondContact O-N 3.15Å; S416-M418 VanDerWaalsContact C-N 3.33Å; S416-M418 PolarHBondContact O-N 3.45Å; M418-A420 VanDerWaalsContact C-N 3.3Å; M418-A420 PolarHBondContact O-N 3.47Å; M418-G421 PolarHBondContact O-N 2.87Å; M418-G421 VanDerWaalsContact O-N 3.11Å; M418-A426 HydrophobicContact CB-CB 4.28Å; M418-L430 HydrophobicContact CE-CD1 3.81Å; M418-L446 HydrophobicContact CE-CB 3.64Å; M418-L446 HydrophobicContact CE-CD1 4.39Å; M418-L446 HydrophobicContact CE-CD2 4.05Å; M418-L446 HydrophobicContact CE-CG 4.23Å; M418-L446 HydrophobicContact SD-CD2 3.95Å; M418-L450 HydrophobicContact CE-CD1 3.6Å; M418-L450 HydrophobicContact CE-CG 3.86Å; M418-L450 HydrophobicContact CG-CD1 4.21Å; M418-L450 HydrophobicContact CG-CD2 4Å; M418-L450 HydrophobicContact CG-CG 4.34Å |
| 419 | A | 93.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 36 Ų | 36 | 43% | 0.43 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -31.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y389 L415 S416 G421 | Y389-A419 HydrophobicContact CD1-CB 3.68Å; Y389-A419 HydrophobicContact CD2-CB 3.77Å; Y389-A419 HydrophobicContact CE1-CB 4.14Å; Y389-A419 HydrophobicContact CE2-CB 4.21Å; Y389-A419 HydrophobicContact CG-CB 3.49Å; Y389-A419 VanDerWaalsContact CG-CB 3.49Å; L415-A419 WeakPolarHBondContact O-CB 3.49Å; L415-A419 PolarHBondContact O-N 2.9Å; S416-A419 PolarHBondContact O-N 3.34Å; A419-G421 PolarHBondContact O-N 3.44Å |
| 420 | A | 91.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 1.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E390 S416 M418 K422 | E390-A420 HydrophobicContact CG-CB 4.14Å; S416-A420 VanDerWaalsContact O-CB 3.23Å; S416-A420 WeakPolarHBondContact O-CB 3.49Å; S416-A420 PolarHBondContact O-N 3.37Å; M418-A420 VanDerWaalsContact C-N 3.3Å; M418-A420 PolarHBondContact O-N 3.47Å; A420-K422 HydrophobicContact CB-CD 4.45Å; A420-K422 HydrophobicContact CB-CG 4.41Å; A420-K422 PolarHBondContact O-N 2.93Å |
| 421 | G | 89.6 | Confident | 95.5 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 7.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L417 M418 A419 S423 | L417-G421 PolarHBondContact O-N 3.21Å; M418-G421 PolarHBondContact O-N 2.87Å; M418-G421 VanDerWaalsContact O-N 3.11Å; A419-G421 PolarHBondContact O-N 3.44Å; G421-S423 PolarHBondContact O-N 2.72Å; G421-S423 PolarHBondContact O-OG 3.36Å |
| 422 | K | 93.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | trans | -80.5 | 54.5 | 177.2 | -65.2 | 174.6 | -176.8 | 168.8 | 0 | 110.8 | S393 L417 A420 A424 R425 A426 | S393-K422 PolarHBondContact OG-NZ 3.28Å; L417-K422 HydrophobicContact CB-CB 4.46Å; L417-K422 HydrophobicContact CD2-CB 3.98Å; L417-K422 HydrophobicContact CD2-CD 3.71Å; L417-K422 HydrophobicContact CD2-CG 4.47Å; L417-K422 PolarHBondContact O-N 3.49Å; A420-K422 HydrophobicContact CB-CD 4.45Å; A420-K422 HydrophobicContact CB-CG 4.41Å; A420-K422 PolarHBondContact O-N 2.93Å; K422-A424 PolarHBondContact O-N 2.62Å; K422-R425 PolarHBondContact O-N 2.83Å; K422-R425 VanDerWaalsContact O-N 3.11Å; K422-A426 PolarHBondContact O-N 3.42Å | ||
| 423 | S | 94.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.5 | -45.2 | -166.7 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | G421 R425 A426 V427 P454 | G421-S423 PolarHBondContact O-N 2.72Å; G421-S423 PolarHBondContact O-OG 3.36Å; S423-R425 VanDerWaalsContact C-N 3.32Å; S423-R425 PolarHBondContact O-N 2.87Å; S423-A426 PolarHBondContact O-N 3.11Å; S423-V427 WeakPolarHBondContact O-CG2 3.49Å; S423-V427 PolarHBondContact O-N 3.47Å; S423-P454 WeakPolarHBondContact OG-CG 3.47Å |
| 424 | A | 95 | Very high | 95.4 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -36.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | K422 L455 W457 | K422-A424 PolarHBondContact O-N 2.62Å; A424-L455 HydrophobicContact CB-CD2 3.9Å; A424-W457 HydrophobicContact CB-CH2 3.79Å; A424-W457 HydrophobicContact CB-CZ2 4.21Å |
| 425 | R | 96.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.6 | -43.8 | 175.7 | -66 | -179.8 | 67.3 | -170.5 | 0.8 | 110.3 | E397 L417 K422 S423 V427 K428 V429 | E397-R425 IonicContact OE1-CZ 3.49Å; E397-R425 IonicContact OE1-NH1 3.71Å; E397-R425 PolarHBondContact OE1-NH1 3.18Å; E397-R425 IonicContact OE1-NH2 2.65Å; E397-R425 PolarHBondContact OE1-NH2 3.09Å; E397-R425 IonicContact OE2-CZ 2.75Å; E397-R425 IonicContact OE2-NH1 2.63Å; E397-R425 IonicContact OE2-NH2 3.46Å; E397-R425 PolarHBondContact OE2-NH2 3.4Å; L417-R425 HydrophobicContact CD1-CB 4.16Å; L417-R425 HydrophobicContact CD2-CB 4.43Å; K422-R425 PolarHBondContact O-N 2.83Å; K422-R425 VanDerWaalsContact O-N 3.11Å; S423-R425 VanDerWaalsContact C-N 3.32Å; S423-R425 PolarHBondContact O-N 2.87Å; R425-V427 VanDerWaalsContact C-N 3.31Å; R425-V427 PolarHBondContact O-N 3.23Å; R425-K428 WeakPolarHBondContact O-CB 3.28Å; R425-K428 PolarHBondContact O-N 3.35Å; R425-V429 WeakPolarHBondContact O-CG2 3.48Å; R425-V429 PolarHBondContact O-N 3Å |
| 426 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.1 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L417 M418 K422 S423 K428 V429 L430 L450 | L417-A426 HydrophobicContact CB-CB 3.81Å; M418-A426 HydrophobicContact CB-CB 4.28Å; K422-A426 PolarHBondContact O-N 3.42Å; S423-A426 PolarHBondContact O-N 3.11Å; A426-K428 VanDerWaalsContact C-N 3.3Å; A426-K428 PolarHBondContact O-N 3.24Å; A426-V429 PolarHBondContact O-N 2.91Å; A426-L430 WeakPolarHBondContact O-CB 3.46Å; A426-L430 VanDerWaalsContact O-CG 3.26Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.4Å; A426-L450 HydrophobicContact CB-CD1 3.56Å |
| 427 | V | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 176.1 | 173 | 0 | 0 | 0 | 0 | 112.3 | S423 R425 L430 K431 L450 L455 W457 F464 | S423-V427 WeakPolarHBondContact O-CG2 3.49Å; S423-V427 PolarHBondContact O-N 3.47Å; R425-V427 VanDerWaalsContact C-N 3.31Å; R425-V427 PolarHBondContact O-N 3.23Å; V427-L430 PolarHBondContact O-N 3Å; V427-K431 WeakPolarHBondContact O-CG 3.49Å; V427-K431 PolarHBondContact O-N 3.45Å; V427-L450 HydrophobicContact CG2-CB 3.72Å; V427-L450 HydrophobicContact CG2-CD1 3.91Å; V427-L455 HydrophobicContact CG2-CD1 3.79Å; V427-W457 HydrophobicContact CB-CZ3 4.36Å; V427-W457 HydrophobicContact CG1-CE3 4.49Å; V427-W457 HydrophobicContact CG1-CZ3 4.22Å; V427-F464 HydrophobicContact CG1-CE2 4.02Å; V427-F464 HydrophobicContact CG1-CZ 4.27Å |
| 428 | K | 96.2 | Very high | 94.8 | Very high | 142 Ų | 142 | 49.5 Ų | 49.5 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 177.4 | -66.3 | 176.2 | -178.8 | -179 | 0 | 111.8 | R425 A426 K431 E432 | R425-K428 WeakPolarHBondContact O-CB 3.28Å; R425-K428 PolarHBondContact O-N 3.35Å; A426-K428 VanDerWaalsContact C-N 3.3Å; A426-K428 PolarHBondContact O-N 3.24Å; K428-K431 WeakPolarHBondContact O-CB 3.4Å; K428-K431 PolarHBondContact O-N 2.58Å; K428-E432 PolarHBondContact O-N 2.88Å |
| 429 | V | 96.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | W410 L413 A414 L417 R425 A426 K431 E432 C433 | W410-V429 HydrophobicContact CE3-CG1 3.7Å; W410-V429 HydrophobicContact CZ3-CG1 4.22Å; W410-V429 VanDerWaalsContact O-CG1 3.31Å; W410-V429 WeakPolarHBondContact O-CG1 3.38Å; L413-V429 HydrophobicContact CB-CG1 4.43Å; L413-V429 HydrophobicContact CD2-CG1 4.35Å; L413-V429 HydrophobicContact CD2-CG2 4.43Å; L413-V429 HydrophobicContact CG-CG1 4.28Å; A414-V429 HydrophobicContact CB-CB 4.13Å; A414-V429 HydrophobicContact CB-CG1 3.74Å; L417-V429 HydrophobicContact CD1-CB 4.45Å; L417-V429 HydrophobicContact CD1-CG2 3.69Å; R425-V429 WeakPolarHBondContact O-CG2 3.48Å; R425-V429 PolarHBondContact O-N 3Å; A426-V429 PolarHBondContact O-N 2.91Å; V429-K431 VanDerWaalsContact C-N 3.3Å; V429-K431 PolarHBondContact O-N 3.49Å; V429-E432 WeakPolarHBondContact O-CB 3.26Å; V429-E432 PolarHBondContact O-N 2.95Å; V429-E432 VanDerWaalsContact O-N 3.08Å; V429-C433 PolarHBondContact O-N 3.03Å; V429-C433 PolarHBondContact O-SG 3.28Å |
| 430 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 174.1 | -71.7 | 169.9 | 0 | 0 | 0 | 112.7 | A414 M418 A426 V427 E432 C433 I434 I443 L446 A447 L450 | A414-L430 HydrophobicContact CB-CD2 3.68Å; A414-L430 HydrophobicContact CB-CG 3.95Å; M418-L430 HydrophobicContact CE-CD1 3.81Å; A426-L430 WeakPolarHBondContact O-CB 3.46Å; A426-L430 VanDerWaalsContact O-CG 3.26Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.4Å; V427-L430 PolarHBondContact O-N 3Å; L430-E432 VanDerWaalsContact C-N 3.3Å; L430-E432 PolarHBondContact O-N 3.01Å; L430-C433 WeakPolarHBondContact O-CB 3.43Å; L430-C433 PolarHBondContact O-N 2.86Å; L430-I434 VanDerWaalsContact O-CG1 3.27Å; L430-I434 WeakPolarHBondContact O-CG1 3.31Å; L430-I434 PolarHBondContact O-N 3.31Å; L430-I443 HydrophobicContact CB-CG2 4.25Å; L430-I443 HydrophobicContact CD2-CG2 3.62Å; L430-L446 HydrophobicContact CD1-CB 4.23Å; L430-A447 HydrophobicContact CB-CB 4.39Å; L430-A447 HydrophobicContact CD1-CB 4.01Å; L430-L450 HydrophobicContact CD1-CD1 4.24Å |
| 431 | K | 96.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 172.8 | -73.8 | 178.7 | 176.9 | -171.6 | 0 | 112 | V427 K428 V429 I434 R435 E460 F464 | V427-K431 WeakPolarHBondContact O-CG 3.49Å; V427-K431 PolarHBondContact O-N 3.45Å; K428-K431 WeakPolarHBondContact O-CB 3.4Å; K428-K431 PolarHBondContact O-N 2.58Å; V429-K431 VanDerWaalsContact C-N 3.3Å; V429-K431 PolarHBondContact O-N 3.49Å; K431-I434 PolarHBondContact O-N 3.28Å; K431-R435 PolarHBondContact O-N 3.43Å; K431-R435 VanDerWaalsContact O-N 3.07Å; K431-E460 WeakPolarHBondContact CE-OE2 3.37Å; K431-E460 IonicContact NZ-OE2 3.65Å; K431-E460 PolarHBondContact NZ-OE2 3.2Å; K431-F464 HydrophobicContact CD-CZ 4.17Å; K431-F464 HydrophobicContact CG-CE1 4.02Å; K431-F464 HydrophobicContact CG-CZ 3.64Å |
| 432 | E | 95.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 173.7 | -66.5 | -55.8 | 138.6 | 0 | 0 | 111.7 | W410 K428 V429 L430 I434 R435 L436 | W410-E432 HydrophobicContact CD2-CB 4.25Å; W410-E432 HydrophobicContact CE3-CB 3.62Å; W410-E432 HydrophobicContact CE3-CG 4.17Å; W410-E432 HydrophobicContact CH2-CB 4.32Å; W410-E432 HydrophobicContact CH2-CG 4.04Å; W410-E432 HydrophobicContact CZ3-CB 3.67Å; W410-E432 HydrophobicContact CZ3-CG 3.67Å; K428-E432 PolarHBondContact O-N 2.88Å; V429-E432 WeakPolarHBondContact O-CB 3.26Å; V429-E432 PolarHBondContact O-N 2.95Å; V429-E432 VanDerWaalsContact O-N 3.08Å; L430-E432 VanDerWaalsContact C-N 3.3Å; L430-E432 PolarHBondContact O-N 3.01Å; E432-I434 VanDerWaalsContact C-N 3.31Å; E432-I434 PolarHBondContact O-N 3.2Å; E432-R435 WeakPolarHBondContact O-CB 3.45Å; E432-R435 PolarHBondContact O-N 3.39Å; E432-R435 VanDerWaalsContact O-N 3.13Å; E432-R435 IonicContact OE2-CZ 2.81Å; E432-R435 IonicContact OE2-NE 3.45Å; E432-R435 PolarHBondContact OE2-NE 3.35Å; E432-R435 IonicContact OE2-NH2 3.84Å; E432-L436 WeakPolarHBondContact O-CG 3.42Å; E432-L436 PolarHBondContact O-N 2.79Å |
| 433 | C | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 173.9 | -61 | 0 | 0 | 0 | 0 | 112.3 | F407 W410 V429 L430 R435 L436 K437 I443 | F407-C433 HydrophobicContact CE2-CB 4.16Å; W410-C433 VanDerWaalsContact C-SG 3.52Å; V429-C433 PolarHBondContact O-N 3.03Å; V429-C433 PolarHBondContact O-SG 3.28Å; L430-C433 WeakPolarHBondContact O-CB 3.43Å; L430-C433 PolarHBondContact O-N 2.86Å; C433-R435 VanDerWaalsContact C-N 3.34Å; C433-L436 PolarHBondContact O-N 3.23Å; C433-K437 PolarHBondContact O-N 2.97Å; C433-I443 HydrophobicContact CB-CD1 4.18Å; C433-I443 HydrophobicContact CB-CG2 3.67Å |
| 434 | I | 95.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 174.3 | -68.7 | 163.6 | 0 | 0 | 0 | 110.5 | L430 K431 E432 L436 K437 P438 I443 P444 F464 M467 | L430-I434 VanDerWaalsContact O-CG1 3.27Å; L430-I434 WeakPolarHBondContact O-CG1 3.31Å; L430-I434 PolarHBondContact O-N 3.31Å; K431-I434 PolarHBondContact O-N 3.28Å; E432-I434 VanDerWaalsContact C-N 3.31Å; E432-I434 PolarHBondContact O-N 3.2Å; I434-L436 VanDerWaalsContact C-N 3.34Å; I434-L436 PolarHBondContact O-N 3.43Å; I434-K437 CarbonylContact O-C 3.58Å; I434-P438 VanDerWaalsContact O-CA 3.31Å; I434-P438 WeakPolarHBondContact O-CA 3.43Å; I434-I443 HydrophobicContact CD1-CG2 4.44Å; I434-I443 HydrophobicContact CG1-CB 4.08Å; I434-I443 HydrophobicContact CG1-CG2 3.68Å; I434-P444 HydrophobicContact CD1-CB 3.93Å; I434-P444 HydrophobicContact CG1-CB 4.48Å; I434-F464 HydrophobicContact CD1-CD1 3.82Å; I434-F464 HydrophobicContact CD1-CE1 3.55Å; I434-M467 HydrophobicContact CD1-SD 4.48Å; I434-M467 HydrophobicContact CG2-CE 4.39Å; I434-M467 HydrophobicContact CG2-SD 3.66Å |
| 435 | R | 95.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 47.8 Ų | 47.8 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 176.2 | -173.9 | -170.4 | 66.8 | 81.2 | -3.8 | 111.8 | E405 K431 E432 C433 | E405-R435 IonicContact OE1-CZ 3.57Å; E405-R435 IonicContact OE1-NH1 2.76Å; E405-R435 PolarHBondContact OE1-NH1 3Å; E405-R435 IonicContact OE1-NH2 2.71Å; E405-R435 PolarHBondContact OE1-NH2 2.86Å; K431-R435 PolarHBondContact O-N 3.43Å; K431-R435 VanDerWaalsContact O-N 3.07Å; E432-R435 WeakPolarHBondContact O-CB 3.45Å; E432-R435 PolarHBondContact O-N 3.39Å; E432-R435 VanDerWaalsContact O-N 3.13Å; E432-R435 IonicContact OE2-CZ 2.81Å; E432-R435 IonicContact OE2-NE 3.45Å; E432-R435 PolarHBondContact OE2-NE 3.35Å; E432-R435 IonicContact OE2-NH2 3.84Å; C433-R435 VanDerWaalsContact C-N 3.34Å |
| 436 | L | 94.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.7 | -35.1 | -178.9 | -67.8 | 176.6 | 0 | 0 | 0 | 112.8 | E405 F407 W410 E432 C433 I434 | E405-L436 HydrophobicContact CB-CD2 3.85Å; E405-L436 HydrophobicContact CG-CD2 4.23Å; F407-L436 HydrophobicContact CD2-CB 4.18Å; W410-L436 HydrophobicContact CB-CD1 4.23Å; W410-L436 HydrophobicContact CG-CD1 3.92Å; E432-L436 WeakPolarHBondContact O-CG 3.42Å; E432-L436 PolarHBondContact O-N 2.79Å; C433-L436 PolarHBondContact O-N 3.23Å; I434-L436 VanDerWaalsContact C-N 3.34Å; I434-L436 PolarHBondContact O-N 3.43Å |
| 437 | K | 93.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | trans | -137.6 | 79.5 | -178 | -165.4 | -175.3 | 178.3 | -158.6 | 0 | 110.9 | F407 C433 I434 D439 D440 I443 | F407-K437 HydrophobicContact CD1-CD 4.24Å; F407-K437 HydrophobicContact CD2-CB 3.65Å; F407-K437 HydrophobicContact CD2-CD 4.24Å; F407-K437 HydrophobicContact CE1-CD 3.83Å; F407-K437 HydrophobicContact CE2-CB 3.55Å; F407-K437 HydrophobicContact CE2-CD 3.82Å; F407-K437 HydrophobicContact CE2-CG 4.36Å; F407-K437 HydrophobicContact CG-CB 4.38Å; F407-K437 HydrophobicContact CG-CD 4.44Å; F407-K437 HydrophobicContact CZ-CB 4.23Å; F407-K437 HydrophobicContact CZ-CD 3.6Å; C433-K437 PolarHBondContact O-N 2.97Å; I434-K437 CarbonylContact O-C 3.58Å; K437-D439 PolarHBondContact O-N 3.47Å; K437-D440 HydrophobicContact CD-CB 4Å; K437-D440 HydrophobicContact CG-CB 4.21Å; K437-D440 IonicContact NZ-OD2 2.66Å; K437-D440 PolarHBondContact NZ-OD2 3.03Å; K437-D440 PolarHBondContact O-N 3.28Å; K437-I443 HydrophobicContact CB-CD1 4.42Å | ||
| 438 | P | 91.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.6 | -174.9 | 28.4 | -35.9 | 0 | 0 | 0 | 113.9 | I434 D440 M471 | I434-P438 VanDerWaalsContact O-CA 3.31Å; I434-P438 WeakPolarHBondContact O-CA 3.43Å; P438-D440 VanDerWaalsContact C-N 3.32Å; P438-D440 PolarHBondContact O-N 3.24Å; P438-M471 WeakPolarHBondContact O-CE 3.34Å |
| 439 | D | 88.6 | Confident | 94.9 | Very high | 120 Ų | 120 | 41.9 Ų | 41.9 | 64% | 0.642 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.3 | -177.1 | -66.4 | -24.1 | 0 | 0 | 0 | 114 | K437 P441 | K437-D439 PolarHBondContact O-N 3.47Å; D439-P441 VanDerWaalsContact O-CD 3.31Å; D439-P441 WeakPolarHBondContact O-CD 3.47Å |
| 440 | D | 91.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | trans | -96.6 | 107.4 | -174.4 | -163.3 | -33.7 | 0 | 0 | 0 | 111.5 | K437 P438 T442 I443 P444 | K437-D440 HydrophobicContact CD-CB 4Å; K437-D440 HydrophobicContact CG-CB 4.21Å; K437-D440 IonicContact NZ-OD2 2.66Å; K437-D440 PolarHBondContact NZ-OD2 3.03Å; K437-D440 PolarHBondContact O-N 3.28Å; P438-D440 VanDerWaalsContact C-N 3.32Å; P438-D440 PolarHBondContact O-N 3.24Å; D440-T442 PolarHBondContact O-N 3.36Å; D440-T442 WeakPolarHBondContact OD1-CB 3.25Å; D440-T442 PolarHBondContact OD1-N 2.95Å; D440-T442 VanDerWaalsContact OD1-N 3.07Å; D440-T442 PolarHBondContact OD1-OG1 2.94Å; D440-I443 HydrophobicContact CB-CD1 3.76Å; D440-I443 HydrophobicContact CB-CG1 4.02Å; D440-P444 WeakPolarHBondContact O-CD 3.47Å | ||
| 441 | P | 93.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.8 | -177.5 | 28.9 | -35.3 | 0 | 0 | 0 | 113.2 | D439 I443 P444 L445 V468 M471 A475 F478 | D439-P441 VanDerWaalsContact O-CD 3.31Å; D439-P441 WeakPolarHBondContact O-CD 3.47Å; P441-I443 PolarHBondContact O-N 3.31Å; P441-P444 WeakPolarHBondContact O-CD 3.47Å; P441-P444 WeakPolarHBondContact O-CG 3.33Å; P441-L445 VanDerWaalsContact O-CG 3.3Å; P441-L445 WeakPolarHBondContact O-CG 3.46Å; P441-L445 PolarHBondContact O-N 2.89Å; P441-V468 HydrophobicContact CB-CG1 4.26Å; P441-M471 VanDerWaalsContact CA-SD 3.58Å; P441-M471 HydrophobicContact CB-SD 3.69Å; P441-A475 HydrophobicContact CB-CB 4.16Å; P441-A475 HydrophobicContact CG-CB 4.06Å; P441-F478 HydrophobicContact CB-CB 3.78Å; P441-F478 HydrophobicContact CB-CD1 4.36Å; P441-F478 HydrophobicContact CB-CD2 4.4Å; P441-F478 HydrophobicContact CB-CG 3.94Å; P441-F478 HydrophobicContact CG-CB 3.83Å; P441-F478 HydrophobicContact CG-CD1 4.08Å; P441-F478 HydrophobicContact CG-CD2 3.51Å; P441-F478 HydrophobicContact CG-CE2 4.05Å; P441-F478 HydrophobicContact CG-CG 3.53Å |
| 442 | T | 94.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 38 Ų | 38 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -39.9 | -177.4 | -41.9 | 0 | 0 | 0 | 0 | 111.3 | D440 L445 L446 | D440-T442 PolarHBondContact O-N 3.36Å; D440-T442 WeakPolarHBondContact OD1-CB 3.25Å; D440-T442 PolarHBondContact OD1-N 2.95Å; D440-T442 VanDerWaalsContact OD1-N 3.07Å; D440-T442 PolarHBondContact OD1-OG1 2.94Å; T442-L445 PolarHBondContact O-N 3.07Å; T442-L446 HydrophobicContact CG2-CD1 4.29Å; T442-L446 HydrophobicContact CG2-CG 4.39Å; T442-L446 WeakPolarHBondContact O-CB 3.43Å; T442-L446 VanDerWaalsContact O-CG 3.3Å; T442-L446 WeakPolarHBondContact O-CG 3.26Å; T442-L446 PolarHBondContact O-N 3.47Å |
| 443 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -52.5 | -174.8 | -46.4 | 171.6 | 0 | 0 | 0 | 111.8 | F407 Y411 L430 C433 I434 K437 D440 P441 L445 L446 A447 | F407-I443 HydrophobicContact CE2-CD1 3.58Å; F407-I443 HydrophobicContact CZ-CD1 3.81Å; Y411-I443 HydrophobicContact CE2-CG1 4.08Å; L430-I443 HydrophobicContact CB-CG2 4.25Å; L430-I443 HydrophobicContact CD2-CG2 3.62Å; C433-I443 HydrophobicContact CB-CD1 4.18Å; C433-I443 HydrophobicContact CB-CG2 3.67Å; I434-I443 HydrophobicContact CD1-CG2 4.44Å; I434-I443 HydrophobicContact CG1-CB 4.08Å; I434-I443 HydrophobicContact CG1-CG2 3.68Å; K437-I443 HydrophobicContact CB-CD1 4.42Å; D440-I443 HydrophobicContact CB-CD1 3.76Å; D440-I443 HydrophobicContact CB-CG1 4.02Å; P441-I443 PolarHBondContact O-N 3.31Å; I443-L445 PolarHBondContact O-N 3.5Å; I443-L446 PolarHBondContact O-N 3.29Å; I443-A447 PolarHBondContact O-N 3.36Å; I443-A447 VanDerWaalsContact O-N 3.11Å |
| 444 | P | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -34.1 | 174.1 | 24 | -31.3 | 0 | 0 | 0 | 112.6 | I434 D440 P441 L446 A447 V448 F464 M467 V468 M471 | I434-P444 HydrophobicContact CD1-CB 3.93Å; I434-P444 HydrophobicContact CG1-CB 4.48Å; D440-P444 WeakPolarHBondContact O-CD 3.47Å; P441-P444 WeakPolarHBondContact O-CD 3.47Å; P441-P444 WeakPolarHBondContact O-CG 3.33Å; P444-L446 PolarHBondContact O-N 3.44Å; P444-A447 CarbonylContact O-C 3.56Å; P444-A447 WeakPolarHBondContact O-CA 3.47Å; P444-A447 WeakPolarHBondContact O-CB 3.23Å; P444-A447 PolarHBondContact O-N 3.3Å; P444-A447 VanDerWaalsContact O-N 3.1Å; P444-V448 WeakPolarHBondContact O-CG2 3.39Å; P444-V448 PolarHBondContact O-N 2.97Å; P444-F464 HydrophobicContact CB-CB 4.24Å; P444-F464 HydrophobicContact CB-CD1 4.25Å; P444-M467 HydrophobicContact CB-SD 4.34Å; P444-V468 HydrophobicContact CB-CG2 3.9Å; P444-V468 HydrophobicContact CG-CG2 3.62Å; P444-M471 HydrophobicContact CG-CE 3.72Å |
| 445 | L | 95.5 | Very high | 94 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.7 | -76.9 | 172.5 | 0 | 0 | 0 | 112.5 | P441 T442 I443 A447 V448 K449 V468 F478 K481 A485 | P441-L445 VanDerWaalsContact O-CG 3.3Å; P441-L445 WeakPolarHBondContact O-CG 3.46Å; P441-L445 PolarHBondContact O-N 2.89Å; T442-L445 PolarHBondContact O-N 3.07Å; I443-L445 PolarHBondContact O-N 3.5Å; L445-A447 VanDerWaalsContact C-N 3.28Å; L445-A447 PolarHBondContact O-N 3.37Å; L445-V448 PolarHBondContact O-N 3.24Å; L445-K449 PolarHBondContact O-N 3.13Å; L445-V468 HydrophobicContact CD1-CG1 4.41Å; L445-V468 HydrophobicContact CD2-CG1 4.25Å; L445-V468 HydrophobicContact CD2-CG2 4.01Å; L445-V468 HydrophobicContact CG-CG1 4.22Å; L445-V468 HydrophobicContact CG-CG2 3.81Å; L445-F478 HydrophobicContact CD1-CD1 3.69Å; L445-F478 HydrophobicContact CD1-CE1 4.45Å; L445-K481 HydrophobicContact CD1-CB 4.09Å; L445-K481 HydrophobicContact CD1-CD 4.48Å; L445-K481 HydrophobicContact CD2-CB 4.32Å; L445-A485 HydrophobicContact CD2-CB 4.21Å |
| 446 | L | 96.6 | Very high | 94 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 18% | 0.183 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -38.2 | 172.5 | -75.3 | 177.5 | 0 | 0 | 0 | 111.7 | Y411 L415 M418 L430 T442 I443 P444 K449 L450 | Y411-L446 HydrophobicContact CE2-CD1 4.44Å; L415-L446 HydrophobicContact CD2-CD1 3.82Å; M418-L446 HydrophobicContact CE-CB 3.64Å; M418-L446 HydrophobicContact CE-CD1 4.39Å; M418-L446 HydrophobicContact CE-CD2 4.05Å; M418-L446 HydrophobicContact CE-CG 4.23Å; M418-L446 HydrophobicContact SD-CD2 3.95Å; L430-L446 HydrophobicContact CD1-CB 4.23Å; T442-L446 HydrophobicContact CG2-CD1 4.29Å; T442-L446 HydrophobicContact CG2-CG 4.39Å; T442-L446 WeakPolarHBondContact O-CB 3.43Å; T442-L446 VanDerWaalsContact O-CG 3.3Å; T442-L446 WeakPolarHBondContact O-CG 3.26Å; T442-L446 PolarHBondContact O-N 3.47Å; I443-L446 PolarHBondContact O-N 3.29Å; P444-L446 PolarHBondContact O-N 3.44Å; L446-K449 PolarHBondContact O-N 3.48Å; L446-L450 PolarHBondContact O-N 3.05Å |
| 447 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L430 I443 P444 L445 K449 L450 C451 F464 | L430-A447 HydrophobicContact CB-CB 4.39Å; L430-A447 HydrophobicContact CD1-CB 4.01Å; I443-A447 PolarHBondContact O-N 3.36Å; I443-A447 VanDerWaalsContact O-N 3.11Å; P444-A447 CarbonylContact O-C 3.56Å; P444-A447 WeakPolarHBondContact O-CA 3.47Å; P444-A447 WeakPolarHBondContact O-CB 3.23Å; P444-A447 PolarHBondContact O-N 3.3Å; P444-A447 VanDerWaalsContact O-N 3.1Å; L445-A447 VanDerWaalsContact C-N 3.28Å; L445-A447 PolarHBondContact O-N 3.37Å; A447-K449 PolarHBondContact O-N 3.36Å; A447-L450 PolarHBondContact O-N 3.4Å; A447-C451 WeakPolarHBondContact O-CB 3.38Å; A447-C451 PolarHBondContact O-N 3.28Å; A447-C451 PolarHBondContact O-SG 3.36Å; A447-F464 HydrophobicContact CB-CD1 4.24Å; A447-F464 HydrophobicContact CB-CD2 3.71Å; A447-F464 HydrophobicContact CB-CE1 4.25Å; A447-F464 HydrophobicContact CB-CE2 3.72Å; A447-F464 HydrophobicContact CB-CG 3.96Å; A447-F464 HydrophobicContact CB-CZ 3.96Å |
| 448 | V | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | P444 L445 L450 C451 I452 F464 A465 A485 V489 L854 | P444-V448 WeakPolarHBondContact O-CG2 3.39Å; P444-V448 PolarHBondContact O-N 2.97Å; L445-V448 PolarHBondContact O-N 3.24Å; V448-L450 VanDerWaalsContact C-N 3.28Å; V448-L450 PolarHBondContact O-N 3.24Å; V448-C451 WeakPolarHBondContact O-CA 3.18Å; V448-C451 WeakPolarHBondContact O-CB 3.29Å; V448-C451 PolarHBondContact O-N 3.32Å; V448-I452 HydrophobicContact CG1-CG2 3.92Å; V448-I452 WeakPolarHBondContact O-CG1 3.39Å; V448-I452 PolarHBondContact O-N 2.84Å; V448-F464 HydrophobicContact CG2-CB 3.51Å; V448-A465 HydrophobicContact CG1-CB 4.39Å; V448-A465 HydrophobicContact CG2-CB 3.79Å; V448-A485 HydrophobicContact CG1-CB 4.13Å; V448-V489 HydrophobicContact CG1-CG2 4.23Å; V448-L854 HydrophobicContact CB-CD1 3.76Å; V448-L854 HydrophobicContact CG1-CD1 3.46Å; V448-L854 VanDerWaalsContact CG1-CD1 3.46Å |
| 449 | K | 96.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 40.3 Ų | 40.3 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52.9 | -44.9 | 178.9 | 177.4 | 176.5 | -179.4 | 123.2 | 0 | 112.3 | L445 L446 A447 G453 L854 | L445-K449 PolarHBondContact O-N 3.13Å; L446-K449 PolarHBondContact O-N 3.48Å; A447-K449 PolarHBondContact O-N 3.36Å; K449-G453 PolarHBondContact O-N 2.75Å; K449-G453 VanDerWaalsContact O-N 3.08Å; K449-L854 HydrophobicContact CB-CB 3.98Å; K449-L854 WeakPolarHBondContact CD-O 3.36Å; K449-L854 VanDerWaalsContact CE-O 3.23Å; K449-L854 WeakPolarHBondContact CE-O 2.93Å; K449-L854 HydrophobicContact CG-CB 4.25Å; K449-L854 WeakPolarHBondContact CG-O 3.37Å; K449-L854 PolarHBondContact NZ-O 3.2Å |
| 450 | L | 96.2 | Very high | 95 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.2 | -72.5 | -176.8 | 0 | 0 | 0 | 113 | M418 A426 V427 L430 L446 A447 V448 L455 | M418-L450 HydrophobicContact CE-CD1 3.6Å; M418-L450 HydrophobicContact CE-CG 3.86Å; M418-L450 HydrophobicContact CG-CD1 4.21Å; M418-L450 HydrophobicContact CG-CD2 4Å; M418-L450 HydrophobicContact CG-CG 4.34Å; A426-L450 HydrophobicContact CB-CD1 3.56Å; V427-L450 HydrophobicContact CG2-CB 3.72Å; V427-L450 HydrophobicContact CG2-CD1 3.91Å; L430-L450 HydrophobicContact CD1-CD1 4.24Å; L446-L450 PolarHBondContact O-N 3.05Å; A447-L450 PolarHBondContact O-N 3.4Å; V448-L450 VanDerWaalsContact C-N 3.28Å; V448-L450 PolarHBondContact O-N 3.24Å; L450-L455 HydrophobicContact CB-CD1 4.49Å; L450-L455 WeakPolarHBondContact O-CB 3.38Å; L450-L455 PolarHBondContact O-N 3.42Å |
| 451 | C | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 179.1 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | A447 V448 H456 W457 | A447-C451 WeakPolarHBondContact O-CB 3.38Å; A447-C451 PolarHBondContact O-N 3.28Å; A447-C451 PolarHBondContact O-SG 3.36Å; V448-C451 WeakPolarHBondContact O-CA 3.18Å; V448-C451 WeakPolarHBondContact O-CB 3.29Å; V448-C451 PolarHBondContact O-N 3.32Å; C451-H456 CarbonylContact O-C 3.59Å; C451-H456 VanDerWaalsContact O-CA 3.26Å; C451-H456 WeakPolarHBondContact O-CA 3.34Å; C451-H456 PolarHBondContact O-N 3.22Å; C451-W457 HydrophobicContact CB-CB 4.25Å; C451-W457 PolarHBondContact O-N 2.95Å |
| 452 | I | 94.5 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -82.5 | -21 | -179 | 69.4 | 173.8 | 0 | 0 | 0 | 113.6 | V448 L458 L488 V489 L492 L854 | V448-I452 HydrophobicContact CG1-CG2 3.92Å; V448-I452 WeakPolarHBondContact O-CG1 3.39Å; V448-I452 PolarHBondContact O-N 2.84Å; I452-L458 HydrophobicContact CG2-CD2 4.38Å; I452-L488 HydrophobicContact CD1-CB 4.12Å; I452-L488 HydrophobicContact CD1-CD1 4.13Å; I452-V489 HydrophobicContact CG2-CG2 3.49Å; I452-V489 VanDerWaalsContact CG2-CG2 3.49Å; I452-L492 HydrophobicContact CB-CD1 3.8Å; I452-L492 HydrophobicContact CG2-CD1 4.29Å; I452-L854 HydrophobicContact CD1-CB 4.04Å; I452-L854 HydrophobicContact CD1-CD1 3.76Å; I452-L854 HydrophobicContact CD1-CG 3.69Å |
| 453 | G | 91.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -113.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | K449 L455 | K449-G453 PolarHBondContact O-N 2.75Å; K449-G453 VanDerWaalsContact O-N 3.08Å; G453-L455 VanDerWaalsContact C-N 3.32Å; G453-L455 PolarHBondContact O-N 3.05Å |
| 454 | P | 86 | Confident | 95.6 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 64% | 0.643 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -23.7 | -168.9 | 27.3 | -35.5 | 0 | 0 | 0 | 114.9 | S423 | S423-P454 WeakPolarHBondContact OG-CG 3.47Š|
| 455 | L | 92.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -26.1 | -175.6 | -65.2 | 176.6 | 0 | 0 | 0 | 113.9 | A424 V427 L450 G453 W457 | A424-L455 HydrophobicContact CB-CD2 3.9Å; V427-L455 HydrophobicContact CG2-CD1 3.79Å; L450-L455 HydrophobicContact CB-CD1 4.49Å; L450-L455 WeakPolarHBondContact O-CB 3.38Å; L450-L455 PolarHBondContact O-N 3.42Å; G453-L455 VanDerWaalsContact C-N 3.32Å; G453-L455 PolarHBondContact O-N 3.05Å; L455-W457 HydrophobicContact CB-CD2 4.04Å; L455-W457 HydrophobicContact CB-CG 3.98Å; L455-W457 HydrophobicContact CD1-CD2 4.11Å; L455-W457 HydrophobicContact CD1-CE3 3.88Å; L455-W457 HydrophobicContact CD1-CH2 4.28Å; L455-W457 HydrophobicContact CD1-CZ2 4.5Å; L455-W457 HydrophobicContact CD1-CZ3 3.96Å; L455-W457 HydrophobicContact CD2-CZ2 4.35Å; L455-W457 PolarHBondContact O-N 2.9Å |
| 456 | H | 95.1 | Very high | 95.6 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | trans | 53.8 | 33.9 | -174.3 | -153.2 | 61.4 | 0 | 0 | 0 | 114.4 | C451 L458 D496 | C451-H456 CarbonylContact O-C 3.59Å; C451-H456 VanDerWaalsContact O-CA 3.26Å; C451-H456 WeakPolarHBondContact O-CA 3.34Å; C451-H456 PolarHBondContact O-N 3.22Å; H456-L458 VanDerWaalsContact C-N 3.32Å; H456-L458 PolarHBondContact O-N 3.42Å; H456-L458 VanDerWaalsContact O-N 3.15Å; H456-D496 IonicContact CD2-OD2 3.86Å; H456-D496 IonicContact CE1-OD1 2.85Å; H456-D496 IonicContact CE1-OD2 3.85Å; H456-D496 PolarHBondContact CE1-OD2 3.38Å; H456-D496 IonicContact NE2-OD1 2.84Å; H456-D496 PolarHBondContact NE2-OD1 3.41Å; H456-D496 IonicContact NE2-OD2 2.65Å; H456-D496 PolarHBondContact NE2-OD2 3.47Å | ||
| 457 | W | 97.2 | Very high | 95.5 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | trans | -87.2 | 66 | 176.9 | -66.5 | -4.6 | 0 | 0 | 0 | 111.1 | A424 V427 C451 L455 D459 E460 G461 | A424-W457 HydrophobicContact CB-CH2 3.79Å; A424-W457 HydrophobicContact CB-CZ2 4.21Å; V427-W457 HydrophobicContact CB-CZ3 4.36Å; V427-W457 HydrophobicContact CG1-CE3 4.49Å; V427-W457 HydrophobicContact CG1-CZ3 4.22Å; C451-W457 HydrophobicContact CB-CB 4.25Å; C451-W457 PolarHBondContact O-N 2.95Å; L455-W457 HydrophobicContact CB-CD2 4.04Å; L455-W457 HydrophobicContact CB-CG 3.98Å; L455-W457 HydrophobicContact CD1-CD2 4.11Å; L455-W457 HydrophobicContact CD1-CE3 3.88Å; L455-W457 HydrophobicContact CD1-CH2 4.28Å; L455-W457 HydrophobicContact CD1-CZ2 4.5Å; L455-W457 HydrophobicContact CD1-CZ3 3.96Å; L455-W457 HydrophobicContact CD2-CZ2 4.35Å; L455-W457 PolarHBondContact O-N 2.9Å; W457-D459 VanDerWaalsContact C-N 3.31Å; W457-D459 PolarHBondContact O-N 3.12Å; W457-E460 HydrophobicContact CB-CB 4.29Å; W457-E460 PolarHBondContact O-N 3.43Å; W457-G461 PolarHBondContact O-N 2.89Å | ||
| 458 | L | 97.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -34.8 | -170.8 | -56.4 | -175.9 | 0 | 0 | 0 | 113.8 | I452 H456 G461 E462 V489 L492 K493 D496 | I452-L458 HydrophobicContact CG2-CD2 4.38Å; H456-L458 VanDerWaalsContact C-N 3.32Å; H456-L458 PolarHBondContact O-N 3.42Å; H456-L458 VanDerWaalsContact O-N 3.15Å; L458-G461 PolarHBondContact O-N 2.89Å; L458-E462 PolarHBondContact O-N 3.17Å; L458-V489 HydrophobicContact CB-CG1 4.43Å; L458-V489 VanDerWaalsContact O-CG1 3.29Å; L458-V489 WeakPolarHBondContact O-CG1 3.17Å; L458-L492 HydrophobicContact CD1-CB 3.84Å; L458-L492 HydrophobicContact CD2-CB 3.8Å; L458-L492 HydrophobicContact CD2-CD1 3.85Å; L458-L492 HydrophobicContact CD2-CG 4.46Å; L458-K493 HydrophobicContact CB-CG 3.91Å; L458-K493 HydrophobicContact CD1-CB 4.45Å; L458-K493 HydrophobicContact CD1-CG 3.72Å; L458-K493 HydrophobicContact CG-CG 4.47Å; L458-D496 WeakPolarHBondContact CD1-OD2 3.29Å |
| 459 | D | 97.2 | Very high | 95.2 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.9 | -39.3 | 177.5 | -68.1 | -38.5 | 0 | 0 | 0 | 113 | W457 E462 K463 K493 | W457-D459 VanDerWaalsContact C-N 3.31Å; W457-D459 PolarHBondContact O-N 3.12Å; D459-E462 PolarHBondContact O-N 3.45Å; D459-K463 WeakPolarHBondContact O-CG 3.45Å; D459-K463 PolarHBondContact O-N 3.41Å; D459-K493 VanDerWaalsContact OD1-CE 3.3Å; D459-K493 WeakPolarHBondContact OD1-CE 3.45Å; D459-K493 IonicContact OD1-NZ 2.93Å; D459-K493 PolarHBondContact OD1-NZ 2.96Å |
| 460 | E | 96.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.5 | -39 | 174.8 | -69.5 | -68.5 | 119.3 | 0 | 0 | 110.7 | K431 W457 E462 K463 F464 | K431-E460 WeakPolarHBondContact CE-OE2 3.37Å; K431-E460 IonicContact NZ-OE2 3.65Å; K431-E460 PolarHBondContact NZ-OE2 3.2Å; W457-E460 HydrophobicContact CB-CB 4.29Å; W457-E460 PolarHBondContact O-N 3.43Å; E460-E462 VanDerWaalsContact C-N 3.29Å; E460-E462 PolarHBondContact O-N 2.98Å; E460-K463 PolarHBondContact O-N 3.47Å; E460-K463 VanDerWaalsContact O-N 3.16Å; E460-K463 IonicContact OE1-NZ 3.29Å; E460-K463 PolarHBondContact OE1-NZ 3.46Å; E460-F464 HydrophobicContact CB-CE2 4.42Å; E460-F464 WeakPolarHBondContact O-CD2 3.35Å; E460-F464 PolarHBondContact O-N 2.95Å |
| 461 | G | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -41.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W457 L458 K463 F464 A465 | W457-G461 PolarHBondContact O-N 2.89Å; L458-G461 PolarHBondContact O-N 2.89Å; G461-K463 PolarHBondContact O-N 3.45Å; G461-F464 PolarHBondContact O-N 3.27Å; G461-A465 VanDerWaalsContact O-CB 3.25Å; G461-A465 WeakPolarHBondContact O-CB 3.5Å; G461-A465 PolarHBondContact O-N 3.49Å |
| 462 | E | 97.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 52 Ų | 52 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.2 | -167.8 | -175.8 | 143.8 | 0 | 0 | 112.1 | L458 D459 E460 A465 K466 V489 Y490 K493 | L458-E462 PolarHBondContact O-N 3.17Å; D459-E462 PolarHBondContact O-N 3.45Å; E460-E462 VanDerWaalsContact C-N 3.29Å; E460-E462 PolarHBondContact O-N 2.98Å; E462-A465 PolarHBondContact O-N 3.29Å; E462-K466 HydrophobicContact CG-CD 4.16Å; E462-K466 WeakPolarHBondContact O-CB 3.41Å; E462-K466 WeakPolarHBondContact O-CG 3.15Å; E462-K466 PolarHBondContact O-N 3.29Å; E462-K466 VanDerWaalsContact OE1-CE 3.28Å; E462-K466 WeakPolarHBondContact OE1-CE 3.43Å; E462-K466 IonicContact OE1-NZ 2.9Å; E462-K466 PolarHBondContact OE1-NZ 3.49Å; E462-V489 HydrophobicContact CB-CG1 3.92Å; E462-Y490 PolarHBondContact OE1-OH 3.07Å; E462-K493 IonicContact OE2-NZ 2.84Å; E462-K493 PolarHBondContact OE2-NZ 3.1Å |
| 463 | K | 97.3 | Very high | 92.8 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | -179.8 | -67.3 | 171.8 | -168.4 | 170.1 | 0 | 111.4 | D459 E460 G461 K466 M467 | D459-K463 WeakPolarHBondContact O-CG 3.45Å; D459-K463 PolarHBondContact O-N 3.41Å; E460-K463 PolarHBondContact O-N 3.47Å; E460-K463 VanDerWaalsContact O-N 3.16Å; E460-K463 IonicContact OE1-NZ 3.29Å; E460-K463 PolarHBondContact OE1-NZ 3.46Å; G461-K463 PolarHBondContact O-N 3.45Å; K463-K466 PolarHBondContact O-N 2.92Å; K463-M467 WeakPolarHBondContact O-CB 3.42Å; K463-M467 PolarHBondContact O-N 3.17Å |
| 464 | F | 96.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 178.2 | -68.8 | -55.8 | 0 | 0 | 0 | 112.4 | V427 K431 I434 P444 A447 V448 E460 G461 M467 V468 | V427-F464 HydrophobicContact CG1-CE2 4.02Å; V427-F464 HydrophobicContact CG1-CZ 4.27Å; K431-F464 HydrophobicContact CD-CZ 4.17Å; K431-F464 HydrophobicContact CG-CE1 4.02Å; K431-F464 HydrophobicContact CG-CZ 3.64Å; I434-F464 HydrophobicContact CD1-CD1 3.82Å; I434-F464 HydrophobicContact CD1-CE1 3.55Å; P444-F464 HydrophobicContact CB-CB 4.24Å; P444-F464 HydrophobicContact CB-CD1 4.25Å; A447-F464 HydrophobicContact CB-CD1 4.24Å; A447-F464 HydrophobicContact CB-CD2 3.71Å; A447-F464 HydrophobicContact CB-CE1 4.25Å; A447-F464 HydrophobicContact CB-CE2 3.72Å; A447-F464 HydrophobicContact CB-CG 3.96Å; A447-F464 HydrophobicContact CB-CZ 3.96Å; V448-F464 HydrophobicContact CG2-CB 3.51Å; E460-F464 HydrophobicContact CB-CE2 4.42Å; E460-F464 WeakPolarHBondContact O-CD2 3.35Å; E460-F464 PolarHBondContact O-N 2.95Å; G461-F464 PolarHBondContact O-N 3.27Å; F464-M467 WeakPolarHBondContact O-CB 3.36Å; F464-M467 PolarHBondContact O-N 2.62Å; F464-V468 WeakPolarHBondContact O-CG2 3.38Å; F464-V468 PolarHBondContact O-N 3Å; F464-V468 VanDerWaalsContact O-N 3.17Å |
| 465 | A | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V448 G461 E462 V468 I469 A485 V486 | V448-A465 HydrophobicContact CG1-CB 4.39Å; V448-A465 HydrophobicContact CG2-CB 3.79Å; G461-A465 VanDerWaalsContact O-CB 3.25Å; G461-A465 WeakPolarHBondContact O-CB 3.5Å; G461-A465 PolarHBondContact O-N 3.49Å; E462-A465 PolarHBondContact O-N 3.29Å; A465-V468 PolarHBondContact O-N 3.41Å; A465-I469 WeakPolarHBondContact O-CG1 3.43Å; A465-I469 PolarHBondContact O-N 2.75Å; A465-A485 HydrophobicContact CB-CB 3.82Å; A465-V486 HydrophobicContact CB-CB 4.35Å; A465-V486 HydrophobicContact CB-CG2 3.39Å |
| 466 | K | 95.6 | Very high | 90.3 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 171.7 | -75.6 | 177.3 | 172.8 | 174.7 | 0 | 112.3 | E462 K463 V468 I469 D470 V486 | E462-K466 HydrophobicContact CG-CD 4.16Å; E462-K466 WeakPolarHBondContact O-CB 3.41Å; E462-K466 WeakPolarHBondContact O-CG 3.15Å; E462-K466 PolarHBondContact O-N 3.29Å; E462-K466 VanDerWaalsContact OE1-CE 3.28Å; E462-K466 WeakPolarHBondContact OE1-CE 3.43Å; E462-K466 IonicContact OE1-NZ 2.9Å; E462-K466 PolarHBondContact OE1-NZ 3.49Å; K463-K466 PolarHBondContact O-N 2.92Å; K466-V468 PolarHBondContact O-N 3.24Å; K466-I469 WeakPolarHBondContact O-CB 3.43Å; K466-I469 PolarHBondContact O-N 3.1Å; K466-D470 PolarHBondContact O-N 2.98Å; K466-V486 HydrophobicContact CG-CG2 4.26Å |
| 467 | M | 94.5 | Very high | 89.5 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54 | -42.9 | 175.2 | -175.1 | -177.6 | -66.5 | 0 | 0 | 111.6 | I434 P444 K463 F464 I469 D470 M471 | I434-M467 HydrophobicContact CD1-SD 4.48Å; I434-M467 HydrophobicContact CG2-CE 4.39Å; I434-M467 HydrophobicContact CG2-SD 3.66Å; P444-M467 HydrophobicContact CB-SD 4.34Å; K463-M467 WeakPolarHBondContact O-CB 3.42Å; K463-M467 PolarHBondContact O-N 3.17Å; F464-M467 WeakPolarHBondContact O-CB 3.36Å; F464-M467 PolarHBondContact O-N 2.62Å; M467-I469 PolarHBondContact O-N 3.06Å; M467-D470 PolarHBondContact O-N 3.39Å; M467-M471 HydrophobicContact CG-CE 4.28Å; M467-M471 WeakPolarHBondContact O-CG 3.31Å; M467-M471 PolarHBondContact O-N 2.98Å |
| 468 | V | 93.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 176 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | P441 P444 L445 F464 A465 K466 D470 M471 F478 | P441-V468 HydrophobicContact CB-CG1 4.26Å; P444-V468 HydrophobicContact CB-CG2 3.9Å; P444-V468 HydrophobicContact CG-CG2 3.62Å; L445-V468 HydrophobicContact CD1-CG1 4.41Å; L445-V468 HydrophobicContact CD2-CG1 4.25Å; L445-V468 HydrophobicContact CD2-CG2 4.01Å; L445-V468 HydrophobicContact CG-CG1 4.22Å; L445-V468 HydrophobicContact CG-CG2 3.81Å; F464-V468 WeakPolarHBondContact O-CG2 3.38Å; F464-V468 PolarHBondContact O-N 3Å; F464-V468 VanDerWaalsContact O-N 3.17Å; A465-V468 PolarHBondContact O-N 3.41Å; K466-V468 PolarHBondContact O-N 3.24Å; V468-D470 VanDerWaalsContact C-N 3.32Å; V468-M471 PolarHBondContact O-N 3.39Å; V468-F478 HydrophobicContact CG1-CB 4.48Å |
| 469 | I | 93.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -36 | -179.9 | -65.1 | 169 | 0 | 0 | 0 | 111.4 | A465 K466 M467 M471 K479 V486 | A465-I469 WeakPolarHBondContact O-CG1 3.43Å; A465-I469 PolarHBondContact O-N 2.75Å; K466-I469 WeakPolarHBondContact O-CB 3.43Å; K466-I469 PolarHBondContact O-N 3.1Å; M467-I469 PolarHBondContact O-N 3.06Å; I469-M471 VanDerWaalsContact C-N 3.28Å; I469-K479 WeakPolarHBondContact O-CE 3.08Å; I469-V486 HydrophobicContact CD1-CB 4.25Å; I469-V486 HydrophobicContact CD1-CG2 3.51Å |
| 470 | D | 91.6 | Very high | 88.7 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.7 | -177.2 | -63.2 | -23.7 | 0 | 0 | 0 | 112.8 | K466 M467 V468 | K466-D470 PolarHBondContact O-N 2.98Å; M467-D470 PolarHBondContact O-N 3.39Å; V468-D470 VanDerWaalsContact C-N 3.32Å |
| 471 | M | 89.4 | Confident | 88.6 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -66 | 150.1 | 174.2 | -71.1 | -175.9 | 177.6 | 0 | 0 | 112 | P438 P441 P444 M467 V468 I469 A475 | P438-M471 WeakPolarHBondContact O-CE 3.34Å; P441-M471 VanDerWaalsContact CA-SD 3.58Å; P441-M471 HydrophobicContact CB-SD 3.69Å; P444-M471 HydrophobicContact CG-CE 3.72Å; M467-M471 HydrophobicContact CG-CE 4.28Å; M467-M471 WeakPolarHBondContact O-CG 3.31Å; M467-M471 PolarHBondContact O-N 2.98Å; V468-M471 PolarHBondContact O-N 3.39Å; I469-M471 VanDerWaalsContact C-N 3.28Å; M471-A475 HydrophobicContact CB-CB 3.74Å; M471-A475 HydrophobicContact SD-CB 4.39Å |
| 472 | G | 79.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | trans | -66.8 | -177 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K474 A475 | G472-K474 PolarHBondContact O-N 3.36Å; G472-A475 PolarHBondContact O-N 2.9Å | ||
| 473 | E | 74.6 | Confident | 88.5 | Confident | 189 Ų | 189 | 68.2 Ų | 68.2 | 88% | 0.883 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -56.1 | -26.2 | -171.3 | -64.4 | -174.5 | 164.5 | 0 | 0 | 115 | A475 A476 | E473-A475 PolarHBondContact O-N 3.29Å; E473-A476 VanDerWaalsContact O-CB 3.27Å; E473-A476 WeakPolarHBondContact O-CB 3.36Å; E473-A476 PolarHBondContact O-N 2.98Å; E473-A476 VanDerWaalsContact O-N 3.1Å |
| 474 | K | 65.9 | Low | 88.4 | Confident | 196 Ų | 196 | 62.5 Ų | 62.5 | 85% | 0.852 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -62.4 | -21.6 | 176.8 | -65.6 | -177.1 | -177.5 | 174.7 | 0 | 113.6 | G472 | G472-K474 PolarHBondContact O-N 3.36Š|
| 475 | A | 73.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -101.4 | 15.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P441 M471 G472 E473 E477 F478 K479 | P441-A475 HydrophobicContact CB-CB 4.16Å; P441-A475 HydrophobicContact CG-CB 4.06Å; M471-A475 HydrophobicContact CB-CB 3.74Å; M471-A475 HydrophobicContact SD-CB 4.39Å; G472-A475 PolarHBondContact O-N 2.9Å; E473-A475 PolarHBondContact O-N 3.29Å; A475-E477 VanDerWaalsContact C-N 3.26Å; A475-E477 PolarHBondContact O-N 3.4Å; A475-F478 CarbonylContact O-C 3.21Å; A475-F478 WeakPolarHBondContact O-CA 3.33Å; A475-F478 PolarHBondContact O-N 3.4Å; A475-K479 PolarHBondContact O-N 3.47Å |
| 476 | A | 76.7 | Confident | 88.5 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.2 | -40.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | E473 F478 K479 | E473-A476 VanDerWaalsContact O-CB 3.27Å; E473-A476 WeakPolarHBondContact O-CB 3.36Å; E473-A476 PolarHBondContact O-N 2.98Å; E473-A476 VanDerWaalsContact O-N 3.1Å; A476-F478 VanDerWaalsContact C-N 3.29Å; A476-F478 PolarHBondContact O-N 3.32Å; A476-K479 WeakPolarHBondContact O-CB 3.2Å; A476-K479 PolarHBondContact O-N 3.21Å |
| 477 | E | 79.1 | Confident | 88.6 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 80% | 0.799 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 176.6 | -62.7 | -174.3 | 172.2 | 0 | 0 | 112.8 | A475 | A475-E477 VanDerWaalsContact C-N 3.26Å; A475-E477 PolarHBondContact O-N 3.4Å |
| 478 | F | 89.3 | Confident | 88.8 | Confident | 61 Ų | 61 | 55 Ų | 55 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -86.6 | -11.9 | 178.7 | -70.5 | -90.5 | 0 | 0 | 0 | 113.1 | P441 L445 V468 A475 A476 A480 K481 G482 | P441-F478 HydrophobicContact CB-CB 3.78Å; P441-F478 HydrophobicContact CB-CD1 4.36Å; P441-F478 HydrophobicContact CB-CD2 4.4Å; P441-F478 HydrophobicContact CB-CG 3.94Å; P441-F478 HydrophobicContact CG-CB 3.83Å; P441-F478 HydrophobicContact CG-CD1 4.08Å; P441-F478 HydrophobicContact CG-CD2 3.51Å; P441-F478 HydrophobicContact CG-CE2 4.05Å; P441-F478 HydrophobicContact CG-CG 3.53Å; L445-F478 HydrophobicContact CD1-CD1 3.69Å; L445-F478 HydrophobicContact CD1-CE1 4.45Å; V468-F478 HydrophobicContact CG1-CB 4.48Å; A475-F478 CarbonylContact O-C 3.21Å; A475-F478 WeakPolarHBondContact O-CA 3.33Å; A475-F478 PolarHBondContact O-N 3.4Å; A476-F478 VanDerWaalsContact C-N 3.29Å; A476-F478 PolarHBondContact O-N 3.32Å; F478-A480 VanDerWaalsContact C-N 3.27Å; F478-A480 PolarHBondContact O-N 3.41Å; F478-K481 HydrophobicContact CD1-CD 4.23Å; F478-K481 CarbonylContact O-C 3.48Å; F478-K481 WeakPolarHBondContact O-CA 3.46Å; F478-K481 WeakPolarHBondContact O-CB 3.37Å; F478-K481 PolarHBondContact O-N 3.25Å; F478-G482 PolarHBondContact O-N 2.75Å |
| 479 | K | 92.2 | Very high | 89 | Confident | 82 Ų | 82 | 55 Ų | 55 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 178.4 | -165.5 | 167.8 | -171.9 | 162.5 | 0 | 111.8 | I469 A475 A476 G482 H483 M520 | I469-K479 WeakPolarHBondContact O-CE 3.08Å; A475-K479 PolarHBondContact O-N 3.47Å; A476-K479 WeakPolarHBondContact O-CB 3.2Å; A476-K479 PolarHBondContact O-N 3.21Å; K479-G482 PolarHBondContact O-N 2.92Å; K479-H483 PolarHBondContact O-CD2 3.38Å; K479-H483 VanDerWaalsContact O-CD2 3.32Å; K479-H483 PolarHBondContact O-N 3.24Å; K479-M520 HydrophobicContact CD-SD 4.45Å; K479-M520 HydrophobicContact CG-SD 4.17Å |
| 480 | A | 93.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F478 G482 H483 L484 A517 M520 | F478-A480 VanDerWaalsContact C-N 3.27Å; F478-A480 PolarHBondContact O-N 3.41Å; A480-G482 PolarHBondContact O-N 3.35Å; A480-H483 PolarHBondContact O-N 3.43Å; A480-L484 PolarHBondContact O-N 3.07Å; A480-A517 WeakPolarHBondContact O-CB 3.43Å; A480-M520 HydrophobicContact CB-CB 4.06Å; A480-M520 HydrophobicContact CB-CE 4.45Å |
| 481 | K | 94.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 175.3 | -67.8 | -173.8 | 175.7 | -178.5 | 0 | 113 | L445 F478 L484 A485 | L445-K481 HydrophobicContact CD1-CB 4.09Å; L445-K481 HydrophobicContact CD1-CD 4.48Å; L445-K481 HydrophobicContact CD2-CB 4.32Å; F478-K481 HydrophobicContact CD1-CD 4.23Å; F478-K481 CarbonylContact O-C 3.48Å; F478-K481 WeakPolarHBondContact O-CA 3.46Å; F478-K481 WeakPolarHBondContact O-CB 3.37Å; F478-K481 PolarHBondContact O-N 3.25Å; K481-L484 PolarHBondContact O-N 3.41Å; K481-A485 VanDerWaalsContact O-CB 3.22Å; K481-A485 WeakPolarHBondContact O-CB 3.43Å; K481-A485 PolarHBondContact O-N 3.47Å |
| 482 | G | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F478 K479 A480 A485 V486 | F478-G482 PolarHBondContact O-N 2.75Å; K479-G482 PolarHBondContact O-N 2.92Å; A480-G482 PolarHBondContact O-N 3.35Å; G482-A485 WeakPolarHBondContact O-CB 3.39Å; G482-A485 PolarHBondContact O-N 2.87Å; G482-V486 WeakPolarHBondContact O-CG2 3.47Å; G482-V486 PolarHBondContact O-N 3.17Å |
| 483 | H | 96.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 174.7 | -83.8 | -75.3 | 0 | 0 | 0 | 112.9 | K479 A480 V486 G487 R516 A517 M520 | K479-H483 PolarHBondContact O-CD2 3.38Å; K479-H483 VanDerWaalsContact O-CD2 3.32Å; K479-H483 PolarHBondContact O-N 3.24Å; A480-H483 PolarHBondContact O-N 3.43Å; H483-V486 PolarHBondContact O-N 3.41Å; H483-G487 PolarHBondContact O-N 3.36Å; H483-R516 HydrophobicContact CB-CB 4.5Å; H483-A517 HydrophobicContact CB-CB 4.01Å; H483-M520 HydrophobicContact CB-CE 3.84Å; H483-M520 WeakPolarHBondContact CD2-CE 3.22Å |
| 484 | L | 96.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 172.3 | -177.7 | 68.9 | 0 | 0 | 0 | 111.1 | A480 K481 V486 G487 L488 F514 A517 L526 Y530 L854 | A480-L484 PolarHBondContact O-N 3.07Å; K481-L484 PolarHBondContact O-N 3.41Å; L484-V486 PolarHBondContact O-N 2.88Å; L484-G487 WeakPolarHBondContact O-CA 3.09Å; L484-G487 PolarHBondContact O-N 3.17Å; L484-G487 VanDerWaalsContact O-N 3.12Å; L484-L488 HydrophobicContact CG-CD1 4.46Å; L484-L488 WeakPolarHBondContact O-CG 3.44Å; L484-L488 PolarHBondContact O-N 3.36Å; L484-F514 HydrophobicContact CD1-CD1 3.75Å; L484-F514 HydrophobicContact CD1-CE1 3.76Å; L484-F514 WeakPolarHBondContact O-CE1 3.43Å; L484-A517 HydrophobicContact CB-CB 4.14Å; L484-L526 HydrophobicContact CD2-CB 4.15Å; L484-Y530 HydrophobicContact CD1-CD2 3.68Å; L484-Y530 HydrophobicContact CD1-CG 4.23Å; L484-Y530 HydrophobicContact CG-CD2 4.4Å; L484-L854 HydrophobicContact CD2-CD2 4.37Å |
| 485 | A | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L445 V448 A465 K481 G482 G487 L488 V489 L854 | L445-A485 HydrophobicContact CD2-CB 4.21Å; V448-A485 HydrophobicContact CG1-CB 4.13Å; A465-A485 HydrophobicContact CB-CB 3.82Å; K481-A485 VanDerWaalsContact O-CB 3.22Å; K481-A485 WeakPolarHBondContact O-CB 3.43Å; K481-A485 PolarHBondContact O-N 3.47Å; G482-A485 WeakPolarHBondContact O-CB 3.39Å; G482-A485 PolarHBondContact O-N 2.87Å; A485-G487 VanDerWaalsContact C-N 3.32Å; A485-G487 PolarHBondContact O-N 2.9Å; A485-L488 PolarHBondContact O-N 3.33Å; A485-V489 WeakPolarHBondContact O-CG2 3.41Å; A485-V489 PolarHBondContact O-N 2.87Å; A485-L854 HydrophobicContact CB-CD1 3.65Å; A485-L854 HydrophobicContact CB-CD2 4.16Å; A485-L854 HydrophobicContact CB-CG 4.46Å |
| 486 | V | 97.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | A465 K466 I469 G482 H483 L484 L488 V489 Y490 A513 | A465-V486 HydrophobicContact CB-CB 4.35Å; A465-V486 HydrophobicContact CB-CG2 3.39Å; K466-V486 HydrophobicContact CG-CG2 4.26Å; I469-V486 HydrophobicContact CD1-CB 4.25Å; I469-V486 HydrophobicContact CD1-CG2 3.51Å; G482-V486 WeakPolarHBondContact O-CG2 3.47Å; G482-V486 PolarHBondContact O-N 3.17Å; H483-V486 PolarHBondContact O-N 3.41Å; L484-V486 PolarHBondContact O-N 2.88Å; V486-L488 PolarHBondContact O-N 3.37Å; V486-V489 PolarHBondContact O-N 3.37Å; V486-Y490 HydrophobicContact CG1-CD2 3.53Å; V486-Y490 HydrophobicContact CG1-CE2 3.21Å; V486-Y490 WeakPolarHBondContact O-CD2 3.3Å; V486-Y490 PolarHBondContact O-N 2.88Å; V486-A513 HydrophobicContact CG1-CB 4.28Å |
| 487 | G | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H483 L484 A485 Y490 S491 A510 F514 | H483-G487 PolarHBondContact O-N 3.36Å; L484-G487 WeakPolarHBondContact O-CA 3.09Å; L484-G487 PolarHBondContact O-N 3.17Å; L484-G487 VanDerWaalsContact O-N 3.12Å; A485-G487 VanDerWaalsContact C-N 3.32Å; A485-G487 PolarHBondContact O-N 2.9Å; G487-Y490 PolarHBondContact O-N 3.14Å; G487-S491 WeakPolarHBondContact O-CB 3.29Å; G487-S491 PolarHBondContact O-N 2.87Å; G487-A510 WeakPolarHBondContact O-CB 3.48Å; G487-F514 WeakPolarHBondContact O-CZ 3.34Å |
| 488 | L | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.4 | -71.3 | 167.8 | 0 | 0 | 0 | 112 | I452 L484 A485 V486 Y490 S491 L492 F514 Y530 R852 L854 | I452-L488 HydrophobicContact CD1-CB 4.12Å; I452-L488 HydrophobicContact CD1-CD1 4.13Å; L484-L488 HydrophobicContact CG-CD1 4.46Å; L484-L488 WeakPolarHBondContact O-CG 3.44Å; L484-L488 PolarHBondContact O-N 3.36Å; A485-L488 PolarHBondContact O-N 3.33Å; V486-L488 PolarHBondContact O-N 3.37Å; L488-Y490 PolarHBondContact O-N 3.45Å; L488-S491 PolarHBondContact O-N 3.2Å; L488-L492 WeakPolarHBondContact O-CG 3.39Å; L488-L492 PolarHBondContact O-N 3.27Å; L488-F514 HydrophobicContact CD2-CE1 4.32Å; L488-F514 HydrophobicContact CD2-CZ 4.07Å; L488-F514 HydrophobicContact CG-CE1 4.05Å; L488-F514 HydrophobicContact CG-CZ 4.11Å; L488-Y530 HydrophobicContact CD1-CD2 4.43Å; L488-Y530 HydrophobicContact CD1-CE2 4.12Å; L488-Y530 HydrophobicContact CD2-CD1 3.58Å; L488-Y530 HydrophobicContact CD2-CD2 4.07Å; L488-Y530 HydrophobicContact CD2-CE1 3.53Å; L488-Y530 HydrophobicContact CD2-CE2 3.99Å; L488-Y530 HydrophobicContact CD2-CG 3.87Å; L488-R852 HydrophobicContact CD2-CB 3.91Å; L488-R852 HydrophobicContact CD2-CG 4.44Å; L488-L854 HydrophobicContact CD1-CD2 3.71Å; L488-L854 HydrophobicContact CD1-CG 3.63Å |
| 489 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | V448 I452 L458 E462 A485 V486 S491 L492 K493 | V448-V489 HydrophobicContact CG1-CG2 4.23Å; I452-V489 HydrophobicContact CG2-CG2 3.49Å; I452-V489 VanDerWaalsContact CG2-CG2 3.49Å; L458-V489 HydrophobicContact CB-CG1 4.43Å; L458-V489 VanDerWaalsContact O-CG1 3.29Å; L458-V489 WeakPolarHBondContact O-CG1 3.17Å; E462-V489 HydrophobicContact CB-CG1 3.92Å; A485-V489 WeakPolarHBondContact O-CG2 3.41Å; A485-V489 PolarHBondContact O-N 2.87Å; V486-V489 PolarHBondContact O-N 3.37Å; V489-S491 PolarHBondContact O-N 3.45Å; V489-L492 PolarHBondContact O-N 2.89Å; V489-K493 HydrophobicContact CG1-CD 4.21Å; V489-K493 HydrophobicContact CG1-CG 4.43Å; V489-K493 WeakPolarHBondContact O-CG 3.35Å; V489-K493 PolarHBondContact O-N 2.78Å |
| 490 | Y | 98.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 33 Ų | 33 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 178.9 | -71.8 | -44.9 | 0 | 0 | 0 | 112.8 | E462 V486 G487 L488 L492 K493 A494 Y506 K509 | E462-Y490 PolarHBondContact OE1-OH 3.07Å; V486-Y490 HydrophobicContact CG1-CD2 3.53Å; V486-Y490 HydrophobicContact CG1-CE2 3.21Å; V486-Y490 WeakPolarHBondContact O-CD2 3.3Å; V486-Y490 PolarHBondContact O-N 2.88Å; G487-Y490 PolarHBondContact O-N 3.14Å; L488-Y490 PolarHBondContact O-N 3.45Å; Y490-L492 VanDerWaalsContact C-N 3.33Å; Y490-L492 PolarHBondContact O-N 3.43Å; Y490-K493 HydrophobicContact CD1-CD 4.38Å; Y490-K493 PolarHBondContact O-N 2.85Å; Y490-A494 WeakPolarHBondContact O-CB 3.34Å; Y490-A494 PolarHBondContact O-N 3.23Å; Y490-Y506 AromaticContact CD1-CD1 3.67Å; Y490-Y506 HydrophobicContact CD1-CD1 3.67Å; Y490-Y506 HydrophobicContact CD1-CE1 4.06Å; Y490-Y506 HydrophobicContact CE1-CD1 4.24Å; Y490-Y506 HydrophobicContact CE1-CE1 4.26Å; Y490-K509 HydrophobicContact CD1-CB 4.41Å; Y490-K509 HydrophobicContact CD1-CD 4.48Å; Y490-K509 HydrophobicContact CD2-CB 3.63Å; Y490-K509 HydrophobicContact CE1-CD 4.22Å; Y490-K509 HydrophobicContact CE2-CB 3.9Å; Y490-K509 HydrophobicContact CE2-CD 4.49Å; Y490-K509 HydrophobicContact CG-CB 3.9Å |
| 491 | S | 97.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.6 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | G487 L488 V489 A494 T495 Q534 R852 | G487-S491 WeakPolarHBondContact O-CB 3.29Å; G487-S491 PolarHBondContact O-N 2.87Å; L488-S491 PolarHBondContact O-N 3.2Å; V489-S491 PolarHBondContact O-N 3.45Å; S491-A494 WeakPolarHBondContact O-CB 3.45Å; S491-A494 PolarHBondContact O-N 3.33Å; S491-T495 PolarHBondContact O-N 3.32Å; S491-T495 PolarHBondContact O-OG1 3.18Å; S491-Q534 PolarHBondContact OG-OE1 2.63Å; S491-R852 PolarHBondContact O-NH1 3.45Å; S491-R852 WeakPolarHBondContact OG-CD 3.47Å; S491-R852 PolarHBondContact OG-NH1 3.1Å |
| 492 | L | 96.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 175.9 | -71 | 166.2 | 0 | 0 | 0 | 111.5 | I452 L458 L488 V489 Y490 A494 T495 D496 R852 | I452-L492 HydrophobicContact CB-CD1 3.8Å; I452-L492 HydrophobicContact CG2-CD1 4.29Å; L458-L492 HydrophobicContact CD1-CB 3.84Å; L458-L492 HydrophobicContact CD2-CB 3.8Å; L458-L492 HydrophobicContact CD2-CD1 3.85Å; L458-L492 HydrophobicContact CD2-CG 4.46Å; L488-L492 WeakPolarHBondContact O-CG 3.39Å; L488-L492 PolarHBondContact O-N 3.27Å; V489-L492 PolarHBondContact O-N 2.89Å; Y490-L492 VanDerWaalsContact C-N 3.33Å; Y490-L492 PolarHBondContact O-N 3.43Å; L492-A494 PolarHBondContact O-N 3.01Å; L492-T495 WeakPolarHBondContact O-CA 3.36Å; L492-T495 WeakPolarHBondContact O-CB 3.28Å; L492-T495 PolarHBondContact O-N 3.25Å; L492-D496 PolarHBondContact O-N 3.26Å; L492-D496 VanDerWaalsContact O-N 3.11Å; L492-R852 HydrophobicContact CD2-CB 4.22Å; L492-R852 HydrophobicContact CG-CB 4.39Å |
| 493 | K | 97 | Very high | 94.7 | Very high | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -34.4 | 174.3 | -75.3 | -173.8 | 169.5 | -162.8 | 0 | 112.6 | L458 D459 E462 V489 Y490 T495 D496 A497 Y506 | L458-K493 HydrophobicContact CB-CG 3.91Å; L458-K493 HydrophobicContact CD1-CB 4.45Å; L458-K493 HydrophobicContact CD1-CG 3.72Å; L458-K493 HydrophobicContact CG-CG 4.47Å; D459-K493 VanDerWaalsContact OD1-CE 3.3Å; D459-K493 WeakPolarHBondContact OD1-CE 3.45Å; D459-K493 IonicContact OD1-NZ 2.93Å; D459-K493 PolarHBondContact OD1-NZ 2.96Å; E462-K493 IonicContact OE2-NZ 2.84Å; E462-K493 PolarHBondContact OE2-NZ 3.1Å; V489-K493 HydrophobicContact CG1-CD 4.21Å; V489-K493 HydrophobicContact CG1-CG 4.43Å; V489-K493 WeakPolarHBondContact O-CG 3.35Å; V489-K493 PolarHBondContact O-N 2.78Å; Y490-K493 HydrophobicContact CD1-CD 4.38Å; Y490-K493 PolarHBondContact O-N 2.85Å; K493-T495 VanDerWaalsContact C-N 3.26Å; K493-T495 PolarHBondContact O-N 3.06Å; K493-D496 PolarHBondContact O-N 3Å; K493-A497 VanDerWaalsContact O-CB 3.28Å; K493-A497 WeakPolarHBondContact O-CB 3.3Å; K493-A497 PolarHBondContact O-N 2.79Å; K493-Y506 HydrophobicContact CB-CD1 4.24Å; K493-Y506 HydrophobicContact CB-CD2 4Å; K493-Y506 HydrophobicContact CB-CE1 4.36Å; K493-Y506 HydrophobicContact CB-CE2 4.13Å; K493-Y506 HydrophobicContact CB-CG 4.07Å; K493-Y506 HydrophobicContact CD-CE1 4.07Å |
| 494 | A | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y490 S491 L492 Q503 Q507 | Y490-A494 WeakPolarHBondContact O-CB 3.34Å; Y490-A494 PolarHBondContact O-N 3.23Å; S491-A494 WeakPolarHBondContact O-CB 3.45Å; S491-A494 PolarHBondContact O-N 3.33Å; L492-A494 PolarHBondContact O-N 3.01Å; A494-Q503 WeakPolarHBondContact O-CG 3.08Å; A494-Q507 HydrophobicContact CB-CG 3.83Å |
| 495 | T | 93 | Very high | 94.5 | Very high | 76 Ų | 76 | 40 Ų | 40 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.3 | -36.3 | 176 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | S491 L492 K493 R852 | S491-T495 PolarHBondContact O-N 3.32Å; S491-T495 PolarHBondContact O-OG1 3.18Å; L492-T495 WeakPolarHBondContact O-CA 3.36Å; L492-T495 WeakPolarHBondContact O-CB 3.28Å; L492-T495 PolarHBondContact O-N 3.25Å; K493-T495 VanDerWaalsContact C-N 3.26Å; K493-T495 PolarHBondContact O-N 3.06Å; T495-R852 PolarHBondContact OG1-NH1 3.11Å; T495-R852 PolarHBondContact OG1-NH2 2.77Å |
| 496 | D | 92.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -79.2 | -21.2 | 178.8 | -69.4 | -0.5 | 0 | 0 | 0 | 113.6 | H456 L458 L492 K493 S498 | H456-D496 IonicContact CD2-OD2 3.86Å; H456-D496 IonicContact CE1-OD1 2.85Å; H456-D496 IonicContact CE1-OD2 3.85Å; H456-D496 PolarHBondContact CE1-OD2 3.38Å; H456-D496 IonicContact NE2-OD1 2.84Å; H456-D496 PolarHBondContact NE2-OD1 3.41Å; H456-D496 IonicContact NE2-OD2 2.65Å; H456-D496 PolarHBondContact NE2-OD2 3.47Å; L458-D496 WeakPolarHBondContact CD1-OD2 3.29Å; L492-D496 PolarHBondContact O-N 3.26Å; L492-D496 VanDerWaalsContact O-N 3.11Å; K493-D496 PolarHBondContact O-N 3Å; D496-S498 PolarHBondContact O-N 2.99Å |
| 497 | A | 93.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | trans | -62.7 | 129.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K493 Q503 Y506 | K493-A497 VanDerWaalsContact O-CB 3.28Å; K493-A497 WeakPolarHBondContact O-CB 3.3Å; K493-A497 PolarHBondContact O-N 2.79Å; A497-Q503 HydrophobicContact CB-CB 4.47Å; A497-Q503 HydrophobicContact CB-CG 3.65Å; A497-Q503 WeakPolarHBondContact O-CG 3.46Å; A497-Q503 PolarHBondContact O-NE2 3.32Å; A497-Y506 HydrophobicContact CB-CD2 4.22Å; A497-Y506 HydrophobicContact CB-CE2 4.5Å | ||
| 498 | S | 87.5 | Confident | 94.4 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -84.9 | -23.4 | -177.4 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | D496 | D496-S498 PolarHBondContact O-N 2.99Š|
| 499 | L | 89.8 | Confident | 94.4 | Very high | 98 Ų | 98 | 56 Ų | 56 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -103.3 | 130.7 | -178.1 | -62.7 | 172.5 | 0 | 0 | 0 | 110.1 | S501 T502 Q503 | L499-S501 VanDerWaalsContact C-N 3.28Å; L499-S501 PolarHBondContact O-N 3.5Å; L499-T502 HydrophobicContact CB-CG2 4.23Å; L499-T502 HydrophobicContact CD1-CG2 4.49Å; L499-T502 PolarHBondContact O-N 3.26Å; L499-T502 PolarHBondContact O-OG1 3.19Å; L499-Q503 WeakPolarHBondContact O-CG 3.3Å; L499-Q503 PolarHBondContact O-N 3.02Å |
| 500 | R | 87.6 | Confident | 94.4 | Very high | 109 Ų | 109 | 56 Ų | 56 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -51 | -43.4 | 177.6 | -177.8 | 178.3 | 169.4 | 172.3 | 1.8 | 113.7 | T502 Q503 E504 | R500-T502 VanDerWaalsContact C-N 3.29Å; R500-T502 PolarHBondContact O-N 3.03Å; R500-Q503 WeakPolarHBondContact O-CB 3.48Å; R500-Q503 PolarHBondContact O-N 3.44Å; R500-E504 HydrophobicContact CG-CG 4.44Å; R500-E504 WeakPolarHBondContact CG-OE1 3.43Å; R500-E504 IonicContact CZ-OE1 3.24Å; R500-E504 IonicContact NE-OE1 3.61Å; R500-E504 PolarHBondContact NE-OE1 3.36Å; R500-E504 IonicContact NH2-OE1 2.86Å; R500-E504 PolarHBondContact NH2-OE1 3.28Å; R500-E504 WeakPolarHBondContact O-CG 3.48Å; R500-E504 PolarHBondContact O-N 2.85Å |
| 501 | S | 91.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 56 Ų | 56 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 179 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | L499 D505 | L499-S501 VanDerWaalsContact C-N 3.28Å; L499-S501 PolarHBondContact O-N 3.5Å; S501-D505 PolarHBondContact O-N 3.38Å; S501-D505 VanDerWaalsContact O-N 3.12Å |
| 502 | T | 94 | Very high | 94.4 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 31% | 0.307 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.6 | -36.1 | 176.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | L499 R500 D505 Y506 | L499-T502 HydrophobicContact CB-CG2 4.23Å; L499-T502 HydrophobicContact CD1-CG2 4.49Å; L499-T502 PolarHBondContact O-N 3.26Å; L499-T502 PolarHBondContact O-OG1 3.19Å; R500-T502 VanDerWaalsContact C-N 3.29Å; R500-T502 PolarHBondContact O-N 3.03Å; T502-D505 PolarHBondContact O-N 3.39Å; T502-Y506 WeakPolarHBondContact O-CD2 3.5Å; T502-Y506 PolarHBondContact O-N 3.4Å |
| 503 | Q | 92.6 | Very high | 94.4 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 172.5 | -63.6 | 169.1 | -2.2 | 0 | 0 | 110.3 | A494 A497 L499 R500 D505 Y506 Q507 Q803 | A494-Q503 WeakPolarHBondContact O-CG 3.08Å; A497-Q503 HydrophobicContact CB-CB 4.47Å; A497-Q503 HydrophobicContact CB-CG 3.65Å; A497-Q503 WeakPolarHBondContact O-CG 3.46Å; A497-Q503 PolarHBondContact O-NE2 3.32Å; L499-Q503 WeakPolarHBondContact O-CG 3.3Å; L499-Q503 PolarHBondContact O-N 3.02Å; R500-Q503 WeakPolarHBondContact O-CB 3.48Å; R500-Q503 PolarHBondContact O-N 3.44Å; Q503-D505 PolarHBondContact O-N 3.26Å; Q503-Y506 PolarHBondContact O-N 2.75Å; Q503-Q507 WeakPolarHBondContact O-CB 3.06Å; Q503-Q507 VanDerWaalsContact O-CG 3.29Å; Q503-Q507 WeakPolarHBondContact O-CG 3.26Å; Q503-Q507 PolarHBondContact O-N 2.89Å; Q503-Q803 PolarHBondContact NE2-O 3.41Å |
| 504 | E | 93.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 179.2 | -71.4 | 173.2 | -174.9 | 0 | 0 | 112.4 | R500 R508 | R500-E504 HydrophobicContact CG-CG 4.44Å; R500-E504 WeakPolarHBondContact CG-OE1 3.43Å; R500-E504 IonicContact CZ-OE1 3.24Å; R500-E504 IonicContact NE-OE1 3.61Å; R500-E504 PolarHBondContact NE-OE1 3.36Å; R500-E504 IonicContact NH2-OE1 2.86Å; R500-E504 PolarHBondContact NH2-OE1 3.28Å; R500-E504 WeakPolarHBondContact O-CG 3.48Å; R500-E504 PolarHBondContact O-N 2.85Å; E504-R508 WeakPolarHBondContact O-CB 3.34Å; E504-R508 PolarHBondContact O-N 2.95Å |
| 505 | D | 96.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 175.4 | -174.7 | 46.1 | 0 | 0 | 0 | 112.2 | S501 T502 Q503 R508 K509 | S501-D505 PolarHBondContact O-N 3.38Å; S501-D505 VanDerWaalsContact O-N 3.12Å; T502-D505 PolarHBondContact O-N 3.39Å; Q503-D505 PolarHBondContact O-N 3.26Å; D505-R508 PolarHBondContact O-N 3.14Å; D505-R508 IonicContact OD1-NH1 3.22Å; D505-R508 PolarHBondContact OD1-NH1 3.3Å; D505-K509 WeakPolarHBondContact O-CG 3.41Å; D505-K509 PolarHBondContact O-N 3.1Å; D505-K509 IonicContact OD1-NZ 3.16Å; D505-K509 VanDerWaalsContact OD2-CE 3.3Å; D505-K509 WeakPolarHBondContact OD2-CE 3.35Å; D505-K509 IonicContact OD2-NZ 3.4Å; D505-K509 PolarHBondContact OD2-NZ 2.86Å |
| 506 | Y | 97.4 | Very high | 94.7 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.7 | -73.5 | -49 | 0 | 0 | 0 | 112.6 | Y490 K493 A497 T502 Q503 R508 K509 A510 | Y490-Y506 AromaticContact CD1-CD1 3.67Å; Y490-Y506 HydrophobicContact CD1-CD1 3.67Å; Y490-Y506 HydrophobicContact CD1-CE1 4.06Å; Y490-Y506 HydrophobicContact CE1-CD1 4.24Å; Y490-Y506 HydrophobicContact CE1-CE1 4.26Å; K493-Y506 HydrophobicContact CB-CD1 4.24Å; K493-Y506 HydrophobicContact CB-CD2 4Å; K493-Y506 HydrophobicContact CB-CE1 4.36Å; K493-Y506 HydrophobicContact CB-CE2 4.13Å; K493-Y506 HydrophobicContact CB-CG 4.07Å; K493-Y506 HydrophobicContact CD-CE1 4.07Å; A497-Y506 HydrophobicContact CB-CD2 4.22Å; A497-Y506 HydrophobicContact CB-CE2 4.5Å; T502-Y506 WeakPolarHBondContact O-CD2 3.5Å; T502-Y506 PolarHBondContact O-N 3.4Å; Q503-Y506 PolarHBondContact O-N 2.75Å; Y506-R508 VanDerWaalsContact C-N 3.34Å; Y506-R508 PolarHBondContact O-N 2.71Å; Y506-K509 HydrophobicContact CD1-CD 4.32Å; Y506-K509 PolarHBondContact O-N 2.88Å; Y506-A510 WeakPolarHBondContact O-CB 3.21Å; Y506-A510 PolarHBondContact O-N 3.43Å |
| 507 | Q | 95.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 173.3 | -75.1 | 176.1 | -2.2 | 0 | 0 | 111.7 | A494 Q503 A510 L511 | A494-Q507 HydrophobicContact CB-CG 3.83Å; Q503-Q507 WeakPolarHBondContact O-CB 3.06Å; Q503-Q507 VanDerWaalsContact O-CG 3.29Å; Q503-Q507 WeakPolarHBondContact O-CG 3.26Å; Q503-Q507 PolarHBondContact O-N 2.89Å; Q507-A510 PolarHBondContact O-N 3.5Å; Q507-L511 WeakPolarHBondContact O-CB 3.44Å; Q507-L511 PolarHBondContact O-N 3.38Å |
| 508 | R | 97 | Very high | 94.9 | Very high | 149 Ų | 149 | 59.3 Ų | 59.3 | 56% | 0.562 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 176.5 | -167.2 | -172.9 | -55.7 | 106.9 | 4 | 111.9 | E504 D505 Y506 L511 S512 | E504-R508 WeakPolarHBondContact O-CB 3.34Å; E504-R508 PolarHBondContact O-N 2.95Å; D505-R508 PolarHBondContact O-N 3.14Å; D505-R508 IonicContact OD1-NH1 3.22Å; D505-R508 PolarHBondContact OD1-NH1 3.3Å; Y506-R508 VanDerWaalsContact C-N 3.34Å; Y506-R508 PolarHBondContact O-N 2.71Å; R508-L511 PolarHBondContact O-N 3.43Å; R508-S512 PolarHBondContact O-N 2.83Å |
| 509 | K | 97.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 59 Ų | 59 | 35% | 0.352 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.7 | -73.8 | 170 | 176.1 | 162.8 | 0 | 111.9 | Y490 D505 Y506 S512 A513 | Y490-K509 HydrophobicContact CD1-CB 4.41Å; Y490-K509 HydrophobicContact CD1-CD 4.48Å; Y490-K509 HydrophobicContact CD2-CB 3.63Å; Y490-K509 HydrophobicContact CE1-CD 4.22Å; Y490-K509 HydrophobicContact CE2-CB 3.9Å; Y490-K509 HydrophobicContact CE2-CD 4.49Å; Y490-K509 HydrophobicContact CG-CB 3.9Å; D505-K509 WeakPolarHBondContact O-CG 3.41Å; D505-K509 PolarHBondContact O-N 3.1Å; D505-K509 IonicContact OD1-NZ 3.16Å; D505-K509 VanDerWaalsContact OD2-CE 3.3Å; D505-K509 WeakPolarHBondContact OD2-CE 3.35Å; D505-K509 IonicContact OD2-NZ 3.4Å; D505-K509 PolarHBondContact OD2-NZ 2.86Å; Y506-K509 HydrophobicContact CD1-CD 4.32Å; Y506-K509 PolarHBondContact O-N 2.88Å; K509-S512 PolarHBondContact O-N 3.14Å; K509-A513 WeakPolarHBondContact O-CB 3.37Å; K509-A513 PolarHBondContact O-N 2.84Å |
| 510 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G487 Y506 Q507 S512 A513 F514 Q534 | G487-A510 WeakPolarHBondContact O-CB 3.48Å; Y506-A510 WeakPolarHBondContact O-CB 3.21Å; Y506-A510 PolarHBondContact O-N 3.43Å; Q507-A510 PolarHBondContact O-N 3.5Å; A510-S512 PolarHBondContact O-N 3.36Å; A510-A513 PolarHBondContact O-N 3.08Å; A510-A513 VanDerWaalsContact O-N 3.15Å; A510-F514 HydrophobicContact CB-CE2 4.18Å; A510-F514 WeakPolarHBondContact O-CD2 3.42Å; A510-F514 WeakPolarHBondContact O-CG 3.34Å; A510-F514 PolarHBondContact O-N 3.32Å; A510-Q534 HydrophobicContact CB-CG 4.21Å |
| 511 | L | 97.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 178.7 | -170.9 | 71.4 | 0 | 0 | 0 | 111.8 | Q507 R508 A513 F514 Q515 L531 Q534 L535 | Q507-L511 WeakPolarHBondContact O-CB 3.44Å; Q507-L511 PolarHBondContact O-N 3.38Å; R508-L511 PolarHBondContact O-N 3.43Å; L511-A513 VanDerWaalsContact C-N 3.3Å; L511-A513 PolarHBondContact O-N 2.71Å; L511-F514 PolarHBondContact O-N 3.22Å; L511-Q515 WeakPolarHBondContact O-CB 3.29Å; L511-Q515 VanDerWaalsContact O-CG 3.28Å; L511-Q515 WeakPolarHBondContact O-CG 3.22Å; L511-Q515 PolarHBondContact O-N 3.36Å; L511-L531 HydrophobicContact CD1-CD1 3.67Å; L511-Q534 HydrophobicContact CB-CG 4.33Å; L511-Q534 HydrophobicContact CD1-CG 4.24Å; L511-L535 HydrophobicContact CD1-CD2 3.56Å; L511-L535 HydrophobicContact CD1-CG 3.77Å; L511-L535 HydrophobicContact CD2-CD2 4.39Å |
| 512 | S | 97.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -39 | 176.9 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | R508 K509 A510 R516 | R508-S512 PolarHBondContact O-N 2.83Å; K509-S512 PolarHBondContact O-N 3.14Å; A510-S512 PolarHBondContact O-N 3.36Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.06Å; S512-R516 VanDerWaalsContact O-N 3.08Å |
| 513 | A | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V486 K509 A510 L511 R516 A517 | V486-A513 HydrophobicContact CG1-CB 4.28Å; K509-A513 WeakPolarHBondContact O-CB 3.37Å; K509-A513 PolarHBondContact O-N 2.84Å; A510-A513 PolarHBondContact O-N 3.08Å; A510-A513 VanDerWaalsContact O-N 3.15Å; L511-A513 VanDerWaalsContact C-N 3.3Å; L511-A513 PolarHBondContact O-N 2.71Å; A513-R516 PolarHBondContact O-N 3.47Å; A513-A517 PolarHBondContact O-N 3.39Å |
| 514 | F | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176 | -66.4 | -48.4 | 0 | 0 | 0 | 112.8 | L484 G487 L488 A510 L511 R516 A517 Q518 Y530 L531 Q534 | L484-F514 HydrophobicContact CD1-CD1 3.75Å; L484-F514 HydrophobicContact CD1-CE1 3.76Å; L484-F514 WeakPolarHBondContact O-CE1 3.43Å; G487-F514 WeakPolarHBondContact O-CZ 3.34Å; L488-F514 HydrophobicContact CD2-CE1 4.32Å; L488-F514 HydrophobicContact CD2-CZ 4.07Å; L488-F514 HydrophobicContact CG-CE1 4.05Å; L488-F514 HydrophobicContact CG-CZ 4.11Å; A510-F514 HydrophobicContact CB-CE2 4.18Å; A510-F514 WeakPolarHBondContact O-CD2 3.42Å; A510-F514 WeakPolarHBondContact O-CG 3.34Å; A510-F514 PolarHBondContact O-N 3.32Å; L511-F514 PolarHBondContact O-N 3.22Å; F514-R516 VanDerWaalsContact C-N 3.31Å; F514-R516 PolarHBondContact O-N 3.48Å; F514-A517 WeakPolarHBondContact O-CB 3.44Å; F514-A517 PolarHBondContact O-N 3.19Å; F514-Q518 WeakPolarHBondContact O-CB 3.24Å; F514-Q518 PolarHBondContact O-N 3.46Å; F514-Y530 HydrophobicContact CE1-CG 4.33Å; F514-L531 HydrophobicContact CB-CB 3.97Å; F514-L531 HydrophobicContact CB-CD1 3.95Å; F514-Q534 HydrophobicContact CD2-CB 3.68Å; F514-Q534 HydrophobicContact CD2-CG 3.96Å; F514-Q534 HydrophobicContact CE2-CB 3.79Å; F514-Q534 HydrophobicContact CE2-CG 4.04Å |
| 515 | Q | 97.3 | Very high | 95.8 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 173.6 | -73.7 | 172.4 | -17.8 | 0 | 0 | 111.7 | L511 Q518 S519 L531 | L511-Q515 WeakPolarHBondContact O-CB 3.29Å; L511-Q515 VanDerWaalsContact O-CG 3.28Å; L511-Q515 WeakPolarHBondContact O-CG 3.22Å; L511-Q515 PolarHBondContact O-N 3.36Å; Q515-Q518 PolarHBondContact O-N 3.4Å; Q515-S519 WeakPolarHBondContact O-CB 3.21Å; Q515-S519 PolarHBondContact O-N 3.48Å; Q515-S519 PolarHBondContact O-OG 3.36Å; Q515-L531 HydrophobicContact CG-CD1 3.71Å; Q515-L531 HydrophobicContact CG-CD2 4.27Å |
| 516 | R | 95.9 | Very high | 95.7 | Very high | 139 Ų | 139 | 55.5 Ų | 55.5 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 174.4 | -72.1 | 178.8 | -157.8 | -146.7 | 4.9 | 111.4 | H483 S512 A513 F514 Q518 S519 M520 | H483-R516 HydrophobicContact CB-CB 4.5Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.06Å; S512-R516 VanDerWaalsContact O-N 3.08Å; A513-R516 PolarHBondContact O-N 3.47Å; F514-R516 VanDerWaalsContact C-N 3.31Å; F514-R516 PolarHBondContact O-N 3.48Å; R516-Q518 VanDerWaalsContact C-N 3.33Å; R516-Q518 PolarHBondContact O-N 3.27Å; R516-S519 WeakPolarHBondContact CA-OG 3.34Å; R516-S519 PolarHBondContact O-N 2.8Å; R516-S519 PolarHBondContact O-OG 3.04Å; R516-M520 HydrophobicContact CB-CE 4.23Å; R516-M520 VanDerWaalsContact O-CE 3.29Å; R516-M520 WeakPolarHBondContact O-CE 3.36Å; R516-M520 WeakPolarHBondContact O-CG 3.4Å; R516-M520 PolarHBondContact O-N 2.93Å |
| 517 | A | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -49.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | A480 H483 L484 A513 F514 S519 M520 S521 A527 | A480-A517 WeakPolarHBondContact O-CB 3.43Å; H483-A517 HydrophobicContact CB-CB 4.01Å; L484-A517 HydrophobicContact CB-CB 4.14Å; A513-A517 PolarHBondContact O-N 3.39Å; F514-A517 WeakPolarHBondContact O-CB 3.44Å; F514-A517 PolarHBondContact O-N 3.19Å; A517-S519 PolarHBondContact O-N 2.76Å; A517-M520 PolarHBondContact O-N 3.44Å; A517-S521 PolarHBondContact O-N 3.04Å; A517-A527 HydrophobicContact CB-CB 4.23Å |
| 518 | Q | 95.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 178.9 | -175 | 59.3 | 9.4 | 0 | 0 | 113.1 | F514 Q515 R516 M520 S521 P522 A527 L531 Y547 | F514-Q518 WeakPolarHBondContact O-CB 3.24Å; F514-Q518 PolarHBondContact O-N 3.46Å; Q515-Q518 PolarHBondContact O-N 3.4Å; R516-Q518 VanDerWaalsContact C-N 3.33Å; R516-Q518 PolarHBondContact O-N 3.27Å; Q518-M520 VanDerWaalsContact C-N 3.33Å; Q518-M520 PolarHBondContact O-N 3.49Å; Q518-S521 CarbonylContact O-C 3.59Å; Q518-P522 WeakPolarHBondContact O-CA 3.38Å; Q518-A527 HydrophobicContact CB-CB 4.4Å; Q518-A527 VanDerWaalsContact OE1-CB 3.28Å; Q518-L531 HydrophobicContact CB-CD2 4.12Å; Q518-L531 HydrophobicContact CG-CD2 4.26Å; Q518-Y547 HydrophobicContact CG-CE1 4.46Å |
| 519 | S | 94.7 | Very high | 95.7 | Very high | 88 Ų | 88 | 43 Ų | 43 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.4 | -32.7 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 113 | Q515 R516 A517 | Q515-S519 WeakPolarHBondContact O-CB 3.21Å; Q515-S519 PolarHBondContact O-N 3.48Å; Q515-S519 PolarHBondContact O-OG 3.36Å; R516-S519 WeakPolarHBondContact CA-OG 3.34Å; R516-S519 PolarHBondContact O-N 2.8Å; R516-S519 PolarHBondContact O-OG 3.04Å; A517-S519 PolarHBondContact O-N 2.76Å |
| 520 | M | 93.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 39.9 Ų | 39.9 | 39% | 0.394 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -83.6 | -33.1 | 179.5 | -67.4 | -177.7 | -71.7 | 0 | 0 | 112.4 | K479 A480 H483 R516 A517 Q518 | K479-M520 HydrophobicContact CD-SD 4.45Å; K479-M520 HydrophobicContact CG-SD 4.17Å; A480-M520 HydrophobicContact CB-CB 4.06Å; A480-M520 HydrophobicContact CB-CE 4.45Å; H483-M520 HydrophobicContact CB-CE 3.84Å; H483-M520 WeakPolarHBondContact CD2-CE 3.22Å; R516-M520 HydrophobicContact CB-CE 4.23Å; R516-M520 VanDerWaalsContact O-CE 3.29Å; R516-M520 WeakPolarHBondContact O-CE 3.36Å; R516-M520 WeakPolarHBondContact O-CG 3.4Å; R516-M520 PolarHBondContact O-N 2.93Å; A517-M520 PolarHBondContact O-N 3.44Å; Q518-M520 VanDerWaalsContact C-N 3.33Å; Q518-M520 PolarHBondContact O-N 3.49Å |
| 521 | S | 92.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | trans | -132.1 | 81.3 | 176.4 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | A517 Q518 T523 D524 | A517-S521 PolarHBondContact O-N 3.04Å; Q518-S521 CarbonylContact O-C 3.59Å; S521-T523 PolarHBondContact O-N 2.91Å; S521-D524 PolarHBondContact O-N 2.77Å | ||
| 522 | P | 92.9 | Very high | 95.7 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.1 | -180 | -21.3 | 33.4 | 0 | 0 | 0 | 114.4 | Q518 | Q518-P522 WeakPolarHBondContact O-CA 3.38Š|
| 523 | T | 92.8 | Very high | 95.7 | Very high | 112 Ų | 112 | 36.7 Ų | 36.7 | 69% | 0.687 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.7 | 179.1 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | S521 H525 | S521-T523 PolarHBondContact O-N 2.91Å; T523-H525 PolarHBondContact O-N 3.48Å |
| 524 | D | 93 | Very high | 95.8 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | trans | -80.2 | 109.9 | 177.7 | -174.1 | -3.6 | 0 | 0 | 0 | 109.8 | S521 L526 A527 A528 | S521-D524 PolarHBondContact O-N 2.77Å; D524-L526 PolarHBondContact O-N 3.21Å; D524-L526 WeakPolarHBondContact OD1-CB 3.34Å; D524-L526 PolarHBondContact OD1-N 2.87Å; D524-A527 HydrophobicContact CB-CB 4.13Å; D524-A527 PolarHBondContact O-N 3.37Å; D524-A528 PolarHBondContact O-N 3.21Å | ||
| 525 | H | 95.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -30.1 | 179.3 | 79.9 | 100.5 | 0 | 0 | 0 | 112.2 | T523 A528 F529 L554 Q555 | T523-H525 PolarHBondContact O-N 3.48Å; H525-A528 PolarHBondContact O-N 3.14Å; H525-F529 WeakPolarHBondContact O-CB 3.33Å; H525-F529 PolarHBondContact O-N 3.48Å; H525-L554 HydrophobicContact CB-CB 3.84Å; H525-L554 HydrophobicContact CB-CD1 4.23Å; H525-Q555 HydrophobicContact CB-CB 4.19Å; H525-Q555 HydrophobicContact CB-CG 3.84Å |
| 526 | L | 94.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.1 | -36.1 | -179.9 | -66.1 | 175.6 | 0 | 0 | 0 | 111.4 | L484 D524 F529 Y530 | L484-L526 HydrophobicContact CD2-CB 4.15Å; D524-L526 PolarHBondContact O-N 3.21Å; D524-L526 WeakPolarHBondContact OD1-CB 3.34Å; D524-L526 PolarHBondContact OD1-N 2.87Å; L526-F529 PolarHBondContact O-N 2.95Å; L526-Y530 HydrophobicContact CB-CD2 4.43Å; L526-Y530 WeakPolarHBondContact O-CB 3.32Å; L526-Y530 VanDerWaalsContact O-CD2 3.25Å; L526-Y530 WeakPolarHBondContact O-CD2 3.44Å; L526-Y530 PolarHBondContact O-N 3.4Å |
| 527 | A | 95.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A517 Q518 D524 L531 | A517-A527 HydrophobicContact CB-CB 4.23Å; Q518-A527 HydrophobicContact CB-CB 4.4Å; Q518-A527 VanDerWaalsContact OE1-CB 3.28Å; D524-A527 HydrophobicContact CB-CB 4.13Å; D524-A527 PolarHBondContact O-N 3.37Å; A527-L531 VanDerWaalsContact O-CB 3.26Å; A527-L531 WeakPolarHBondContact O-CB 3.22Å; A527-L531 PolarHBondContact O-N 3.07Å; A527-L531 VanDerWaalsContact O-N 3.08Å |
| 528 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D524 H525 L531 A532 A551 | D524-A528 PolarHBondContact O-N 3.21Å; H525-A528 PolarHBondContact O-N 3.14Å; A528-L531 PolarHBondContact O-N 3.42Å; A528-A532 WeakPolarHBondContact O-CB 3.33Å; A528-A532 PolarHBondContact O-N 2.95Å; A528-A551 HydrophobicContact CB-CB 3.97Å |
| 529 | F | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -51.3 | 179.6 | 167.2 | -103.4 | 0 | 0 | 0 | 112.1 | H525 L526 L531 A532 L533 A551 H560 S561 L564 I850 | H525-F529 WeakPolarHBondContact O-CB 3.33Å; H525-F529 PolarHBondContact O-N 3.48Å; L526-F529 PolarHBondContact O-N 2.95Å; F529-L531 VanDerWaalsContact C-N 3.35Å; F529-L531 PolarHBondContact O-N 3.41Å; F529-A532 WeakPolarHBondContact O-CB 3.43Å; F529-A532 PolarHBondContact O-N 2.84Å; F529-A532 VanDerWaalsContact O-N 3.15Å; F529-L533 HydrophobicContact CE1-CD2 4.4Å; F529-L533 HydrophobicContact CZ-CD2 4.23Å; F529-L533 PolarHBondContact O-N 3.43Å; F529-A551 HydrophobicContact CB-CB 4.11Å; F529-H560 HydrophobicContact CE1-CB 4.13Å; F529-H560 HydrophobicContact CE2-CB 3.83Å; F529-H560 WeakPolarHBondContact CE2-O 3.31Å; F529-H560 HydrophobicContact CZ-CB 3.64Å; F529-S561 WeakPolarHBondContact CD2-OG 3.23Å; F529-L564 HydrophobicContact CD2-CD2 4.12Å; F529-L564 HydrophobicContact CE2-CB 3.99Å; F529-L564 HydrophobicContact CE2-CD2 3.75Å; F529-I850 HydrophobicContact CE1-CG2 4.47Å; F529-I850 HydrophobicContact CZ-CG2 3.72Å |
| 530 | Y | 97.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.9 | -30.5 | -178.8 | -78 | -56.5 | 0 | 0 | 0 | 113.2 | L484 L488 F514 L526 L533 Q534 R852 A853 | L484-Y530 HydrophobicContact CD1-CD2 3.68Å; L484-Y530 HydrophobicContact CD1-CG 4.23Å; L484-Y530 HydrophobicContact CG-CD2 4.4Å; L488-Y530 HydrophobicContact CD1-CD2 4.43Å; L488-Y530 HydrophobicContact CD1-CE2 4.12Å; L488-Y530 HydrophobicContact CD2-CD1 3.58Å; L488-Y530 HydrophobicContact CD2-CD2 4.07Å; L488-Y530 HydrophobicContact CD2-CE1 3.53Å; L488-Y530 HydrophobicContact CD2-CE2 3.99Å; L488-Y530 HydrophobicContact CD2-CG 3.87Å; F514-Y530 HydrophobicContact CE1-CG 4.33Å; L526-Y530 HydrophobicContact CB-CD2 4.43Å; L526-Y530 WeakPolarHBondContact O-CB 3.32Å; L526-Y530 VanDerWaalsContact O-CD2 3.25Å; L526-Y530 WeakPolarHBondContact O-CD2 3.44Å; L526-Y530 PolarHBondContact O-N 3.4Å; Y530-L533 HydrophobicContact CD1-CD2 4.01Å; Y530-L533 HydrophobicContact CE1-CD2 4.2Å; Y530-L533 PolarHBondContact O-N 3.18Å; Y530-Q534 WeakPolarHBondContact O-CB 3.33Å; Y530-Q534 PolarHBondContact O-N 3.35Å; Y530-R852 HydrophobicContact CE1-CG 4.48Å; Y530-A853 PolarHBondContact OH-N 2.87Å; Y530-A853 VanDerWaalsContact OH-N 3.07Å; Y530-A853 PolarHBondContact OH-O 2.92Å |
| 531 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 167.8 | 178.1 | 54.4 | 0 | 0 | 0 | 110.7 | L511 F514 Q515 Q518 A527 A528 F529 L533 Q534 L535 Y547 | L511-L531 HydrophobicContact CD1-CD1 3.67Å; F514-L531 HydrophobicContact CB-CB 3.97Å; F514-L531 HydrophobicContact CB-CD1 3.95Å; Q515-L531 HydrophobicContact CG-CD1 3.71Å; Q515-L531 HydrophobicContact CG-CD2 4.27Å; Q518-L531 HydrophobicContact CB-CD2 4.12Å; Q518-L531 HydrophobicContact CG-CD2 4.26Å; A527-L531 VanDerWaalsContact O-CB 3.26Å; A527-L531 WeakPolarHBondContact O-CB 3.22Å; A527-L531 PolarHBondContact O-N 3.07Å; A527-L531 VanDerWaalsContact O-N 3.08Å; A528-L531 PolarHBondContact O-N 3.42Å; F529-L531 VanDerWaalsContact C-N 3.35Å; F529-L531 PolarHBondContact O-N 3.41Å; L531-L533 PolarHBondContact O-N 3.49Å; L531-Q534 PolarHBondContact O-N 2.88Å; L531-L535 HydrophobicContact CD1-CD1 4.13Å; L531-L535 HydrophobicContact CD1-CG 4.31Å; L531-L535 HydrophobicContact CG-CD1 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.25Å; L531-L535 PolarHBondContact O-N 3.4Å; L531-Y547 HydrophobicContact CD2-CD1 3.85Å; L531-Y547 HydrophobicContact CD2-CD2 4.15Å; L531-Y547 HydrophobicContact CD2-CE1 3.58Å; L531-Y547 HydrophobicContact CD2-CE2 3.89Å; L531-Y547 HydrophobicContact CD2-CG 4.12Å; L531-Y547 HydrophobicContact CG-CD1 4.48Å; L531-Y547 HydrophobicContact CG-CD2 4.21Å; L531-Y547 HydrophobicContact CG-CE2 4.29Å; L531-Y547 HydrophobicContact CG-CG 4.3Å |
| 532 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A528 F529 Q534 L535 A536 A544 V548 L564 | A528-A532 WeakPolarHBondContact O-CB 3.33Å; A528-A532 PolarHBondContact O-N 2.95Å; F529-A532 WeakPolarHBondContact O-CB 3.43Å; F529-A532 PolarHBondContact O-N 2.84Å; F529-A532 VanDerWaalsContact O-N 3.15Å; A532-Q534 VanDerWaalsContact C-N 3.34Å; A532-Q534 PolarHBondContact O-N 2.97Å; A532-L535 PolarHBondContact O-N 3.4Å; A532-A536 WeakPolarHBondContact O-CB 3.43Å; A532-A536 PolarHBondContact O-N 2.9Å; A532-A544 WeakPolarHBondContact O-CB 3.33Å; A532-V548 HydrophobicContact CB-CB 4.4Å; A532-V548 HydrophobicContact CB-CG2 3.42Å; A532-V548 VanDerWaalsContact CB-CG2 3.42Å; A532-L564 HydrophobicContact CB-CD2 4.07Å |
| 533 | L | 98.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.7 | -176.6 | 62.5 | 0 | 0 | 0 | 111.1 | F529 Y530 L531 A536 V537 L564 F847 I850 R852 | F529-L533 HydrophobicContact CE1-CD2 4.4Å; F529-L533 HydrophobicContact CZ-CD2 4.23Å; F529-L533 PolarHBondContact O-N 3.43Å; Y530-L533 HydrophobicContact CD1-CD2 4.01Å; Y530-L533 HydrophobicContact CE1-CD2 4.2Å; Y530-L533 PolarHBondContact O-N 3.18Å; L531-L533 PolarHBondContact O-N 3.49Å; L533-A536 WeakPolarHBondContact O-CB 3.33Å; L533-A536 PolarHBondContact O-N 2.73Å; L533-V537 WeakPolarHBondContact O-CG2 3.35Å; L533-V537 PolarHBondContact O-N 2.88Å; L533-L564 HydrophobicContact CB-CD2 3.92Å; L533-L564 HydrophobicContact CD1-CD1 3.79Å; L533-L564 HydrophobicContact CD1-CD2 4.19Å; L533-F847 HydrophobicContact CD1-CB 4.09Å; L533-I850 HydrophobicContact CD1-CD1 4.45Å; L533-R852 HydrophobicContact CD2-CG 3.98Å |
| 534 | Q | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.6 | -171.2 | 57.4 | 58.8 | 0 | 0 | 112 | S491 A510 L511 F514 Y530 L531 A532 A536 V537 S538 | S491-Q534 PolarHBondContact OG-OE1 2.63Å; A510-Q534 HydrophobicContact CB-CG 4.21Å; L511-Q534 HydrophobicContact CB-CG 4.33Å; L511-Q534 HydrophobicContact CD1-CG 4.24Å; F514-Q534 HydrophobicContact CD2-CB 3.68Å; F514-Q534 HydrophobicContact CD2-CG 3.96Å; F514-Q534 HydrophobicContact CE2-CB 3.79Å; F514-Q534 HydrophobicContact CE2-CG 4.04Å; Y530-Q534 WeakPolarHBondContact O-CB 3.33Å; Y530-Q534 PolarHBondContact O-N 3.35Å; L531-Q534 PolarHBondContact O-N 2.88Å; A532-Q534 VanDerWaalsContact C-N 3.34Å; A532-Q534 PolarHBondContact O-N 2.97Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-V537 PolarHBondContact O-N 3.25Å; Q534-S538 PolarHBondContact O-N 3.27Å; Q534-S538 PolarHBondContact O-OG 3.48Å; Q534-S538 VanDerWaalsContact O-OG 3.05Å |
| 535 | L | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 172.4 | -72.3 | 166.4 | 0 | 0 | 0 | 111.6 | L511 L531 A532 S538 R539 Q540 E543 A544 Y547 | L511-L535 HydrophobicContact CD1-CD2 3.56Å; L511-L535 HydrophobicContact CD1-CG 3.77Å; L511-L535 HydrophobicContact CD2-CD2 4.39Å; L531-L535 HydrophobicContact CD1-CD1 4.13Å; L531-L535 HydrophobicContact CD1-CG 4.31Å; L531-L535 HydrophobicContact CG-CD1 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.25Å; L531-L535 PolarHBondContact O-N 3.4Å; A532-L535 PolarHBondContact O-N 3.4Å; L535-S538 CarbonylContact O-C 3.51Å; L535-S538 PolarHBondContact O-N 3.27Å; L535-R539 PolarHBondContact O-N 3.06Å; L535-Q540 HydrophobicContact CB-CB 4.44Å; L535-Q540 HydrophobicContact CD2-CB 4.23Å; L535-Q540 PolarHBondContact O-N 3.31Å; L535-E543 HydrophobicContact CD1-CB 4.11Å; L535-A544 HydrophobicContact CB-CB 3.89Å; L535-Y547 HydrophobicContact CD1-CD2 3.44Å; L535-Y547 VanDerWaalsContact CD1-CD2 3.44Å; L535-Y547 HydrophobicContact CD1-CE2 3.75Å |
| 536 | A | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A532 L533 Q534 S538 R539 A544 L564 L568 F847 | A532-A536 WeakPolarHBondContact O-CB 3.43Å; A532-A536 PolarHBondContact O-N 2.9Å; L533-A536 WeakPolarHBondContact O-CB 3.33Å; L533-A536 PolarHBondContact O-N 2.73Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; A536-S538 VanDerWaalsContact C-N 3.26Å; A536-S538 PolarHBondContact O-N 3.07Å; A536-R539 WeakPolarHBondContact O-CA 3.2Å; A536-R539 PolarHBondContact O-N 3.37Å; A536-A544 HydrophobicContact CB-CB 4.11Å; A536-L564 HydrophobicContact CB-CD1 4.08Å; A536-L568 HydrophobicContact CB-CD2 3.79Å; A536-F847 VanDerWaalsContact C-CD2 3.48Å; A536-F847 HydrophobicContact CB-CB 4.44Å; A536-F847 HydrophobicContact CB-CD1 3.87Å; A536-F847 HydrophobicContact CB-CD2 3.85Å; A536-F847 HydrophobicContact CB-CE1 3.99Å; A536-F847 HydrophobicContact CB-CE2 3.97Å; A536-F847 HydrophobicContact CB-CG 3.79Å; A536-F847 HydrophobicContact CB-CZ 4.05Å; A536-F847 VanDerWaalsContact O-CD2 3.25Å; A536-F847 WeakPolarHBondContact O-CD2 3.33Å; A536-F847 WeakPolarHBondContact O-CE2 3.49Å |
| 537 | V | 95.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 17% | 0.17 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 174.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | L533 Q534 R539 F847 T848 | L533-V537 WeakPolarHBondContact O-CG2 3.35Å; L533-V537 PolarHBondContact O-N 2.88Å; Q534-V537 PolarHBondContact O-N 3.25Å; V537-R539 PolarHBondContact O-N 3.05Å; V537-F847 HydrophobicContact CG2-CB 4.11Å; V537-T848 HydrophobicContact CG2-CG2 4.1Å |
| 538 | S | 94.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 7 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 114.4 | Q534 L535 A536 Q540 | Q534-S538 PolarHBondContact O-N 3.27Å; Q534-S538 PolarHBondContact O-OG 3.48Å; Q534-S538 VanDerWaalsContact O-OG 3.05Å; L535-S538 CarbonylContact O-C 3.51Å; L535-S538 PolarHBondContact O-N 3.27Å; A536-S538 VanDerWaalsContact C-N 3.26Å; A536-S538 PolarHBondContact O-N 3.07Å; S538-Q540 PolarHBondContact O-N 2.96Å |
| 539 | R | 94.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 20.4 | -178.7 | -52.8 | -59.9 | -179.8 | 140 | 3.4 | 115.6 | L535 A536 V537 I541 T807 S841 | L535-R539 PolarHBondContact O-N 3.06Å; A536-R539 WeakPolarHBondContact O-CA 3.2Å; A536-R539 PolarHBondContact O-N 3.37Å; V537-R539 PolarHBondContact O-N 3.05Å; R539-I541 VanDerWaalsContact C-N 3.29Å; R539-I541 PolarHBondContact O-N 3.39Å; R539-I541 VanDerWaalsContact O-N 3.09Å; R539-T807 PolarHBondContact NH2-O 3.4Å; R539-T807 PolarHBondContact NH2-OG1 2.93Å; R539-S841 PolarHBondContact NH1-O 2.96Å |
| 540 | Q | 96.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 34% | 0.341 | 18% | 0.184 | S | C | . | . | trans | -87.6 | 67.8 | 174.6 | -66.1 | 174.3 | 16.5 | 0 | 0 | 110.4 | L535 S538 E543 A544 | L535-Q540 HydrophobicContact CB-CB 4.44Å; L535-Q540 HydrophobicContact CD2-CB 4.23Å; L535-Q540 PolarHBondContact O-N 3.31Å; S538-Q540 PolarHBondContact O-N 2.96Å; Q540-E543 PolarHBondContact O-N 2.93Å; Q540-E543 PolarHBondContact OE1-OE2 3.11Å; Q540-A544 WeakPolarHBondContact O-CB 3.4Å; Q540-A544 PolarHBondContact O-N 3.42Å | ||
| 541 | I | 97.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | -169 | -49.3 | -55.9 | 0 | 0 | 0 | 113.9 | R539 E543 A544 L545 L568 A571 Q572 F847 | R539-I541 VanDerWaalsContact C-N 3.29Å; R539-I541 PolarHBondContact O-N 3.39Å; R539-I541 VanDerWaalsContact O-N 3.09Å; I541-E543 PolarHBondContact O-N 3.42Å; I541-A544 PolarHBondContact O-N 3.32Å; I541-L545 HydrophobicContact CG2-CD1 4.3Å; I541-L545 PolarHBondContact O-N 3.42Å; I541-L568 HydrophobicContact CD1-CD2 4.11Å; I541-L568 HydrophobicContact CG2-CD2 4.02Å; I541-A571 HydrophobicContact CD1-CB 4.11Å; I541-Q572 HydrophobicContact CG2-CG 3.84Å; I541-F847 HydrophobicContact CD1-CE2 4.22Å; I541-F847 HydrophobicContact CD1-CZ 3.96Å |
| 542 | P | 96.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 37 Ų | 37 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -65.8 | -40.5 | -177.4 | -22.2 | 35.1 | 0 | 0 | 0 | 113.3 | L545 G546 | P542-L545 PolarHBondContact O-N 3.17Å; P542-G546 PolarHBondContact O-N 2.72Å |
| 543 | E | 96.8 | Very high | 97.1 | Very high | 108 Ų | 108 | 45 Ų | 45 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 178.4 | -63.9 | 175.2 | -154.7 | 0 | 0 | 110.6 | L535 Q540 I541 L545 G546 Y547 | L535-E543 HydrophobicContact CD1-CB 4.11Å; Q540-E543 PolarHBondContact O-N 2.93Å; Q540-E543 PolarHBondContact OE1-OE2 3.11Å; I541-E543 PolarHBondContact O-N 3.42Å; E543-L545 VanDerWaalsContact C-N 3.33Å; E543-L545 PolarHBondContact O-N 2.85Å; E543-G546 PolarHBondContact O-N 3.17Å; E543-G546 VanDerWaalsContact O-N 3.13Å; E543-Y547 WeakPolarHBondContact O-CD2 3.49Å; E543-Y547 PolarHBondContact O-N 2.96Å; E543-Y547 VanDerWaalsContact O-N 3.15Å |
| 544 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A532 L535 A536 Q540 I541 G546 Y547 V548 L568 | A532-A544 WeakPolarHBondContact O-CB 3.33Å; L535-A544 HydrophobicContact CB-CB 3.89Å; A536-A544 HydrophobicContact CB-CB 4.11Å; Q540-A544 WeakPolarHBondContact O-CB 3.4Å; Q540-A544 PolarHBondContact O-N 3.42Å; I541-A544 PolarHBondContact O-N 3.32Å; A544-G546 VanDerWaalsContact C-N 3.3Å; A544-G546 PolarHBondContact O-N 3.28Å; A544-Y547 PolarHBondContact O-N 3.42Å; A544-V548 WeakPolarHBondContact O-CG2 3.28Å; A544-V548 PolarHBondContact O-N 3.01Å; A544-L568 HydrophobicContact CB-CD1 3.91Å; A544-L568 HydrophobicContact CB-CD2 3.72Å |
| 545 | L | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 176.5 | -81.2 | 170.5 | 0 | 0 | 0 | 113 | I541 P542 E543 R549 L565 L568 | I541-L545 HydrophobicContact CG2-CD1 4.3Å; I541-L545 PolarHBondContact O-N 3.42Å; P542-L545 PolarHBondContact O-N 3.17Å; E543-L545 VanDerWaalsContact C-N 3.33Å; E543-L545 PolarHBondContact O-N 2.85Å; L545-R549 WeakPolarHBondContact O-CB 3.2Å; L545-R549 VanDerWaalsContact O-CG 3.29Å; L545-R549 WeakPolarHBondContact O-CG 3.39Å; L545-R549 PolarHBondContact O-N 2.96Å; L545-R549 VanDerWaalsContact O-N 3.09Å; L545-L565 HydrophobicContact CD2-CD1 3.68Å; L545-L568 HydrophobicContact CD2-CB 3.58Å; L545-L568 HydrophobicContact CD2-CD1 3.94Å; L545-L568 HydrophobicContact CD2-CG 4.38Å; L545-L568 HydrophobicContact CG-CB 3.96Å; L545-L568 HydrophobicContact CG-CD1 4.1Å |
| 546 | G | 97.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P542 E543 A544 R549 Q550 | P542-G546 PolarHBondContact O-N 2.72Å; E543-G546 PolarHBondContact O-N 3.17Å; E543-G546 VanDerWaalsContact O-N 3.13Å; A544-G546 VanDerWaalsContact C-N 3.3Å; A544-G546 PolarHBondContact O-N 3.28Å; G546-R549 PolarHBondContact O-N 3.2Å; G546-Q550 PolarHBondContact O-N 2.83Å; G546-Q550 VanDerWaalsContact O-N 3.07Å |
| 547 | Y | 98 | Very high | 96.3 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.4 | -34.1 | -179.3 | -74.2 | -69.1 | 0 | 0 | 0 | 113.8 | Q518 L531 L535 E543 A544 R549 Q550 A551 | Q518-Y547 HydrophobicContact CG-CE1 4.46Å; L531-Y547 HydrophobicContact CD2-CD1 3.85Å; L531-Y547 HydrophobicContact CD2-CD2 4.15Å; L531-Y547 HydrophobicContact CD2-CE1 3.58Å; L531-Y547 HydrophobicContact CD2-CE2 3.89Å; L531-Y547 HydrophobicContact CD2-CG 4.12Å; L531-Y547 HydrophobicContact CG-CD1 4.48Å; L531-Y547 HydrophobicContact CG-CD2 4.21Å; L531-Y547 HydrophobicContact CG-CE2 4.29Å; L531-Y547 HydrophobicContact CG-CG 4.3Å; L535-Y547 HydrophobicContact CD1-CD2 3.44Å; L535-Y547 VanDerWaalsContact CD1-CD2 3.44Å; L535-Y547 HydrophobicContact CD1-CE2 3.75Å; E543-Y547 WeakPolarHBondContact O-CD2 3.49Å; E543-Y547 PolarHBondContact O-N 2.96Å; E543-Y547 VanDerWaalsContact O-N 3.15Å; A544-Y547 PolarHBondContact O-N 3.42Å; Y547-R549 VanDerWaalsContact C-N 3.34Å; Y547-Q550 WeakPolarHBondContact O-CB 3.4Å; Y547-Q550 PolarHBondContact O-N 3.14Å; Y547-A551 PolarHBondContact O-N 2.8Å |
| 548 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | A532 A544 Q550 A551 L552 S561 L564 L565 L568 | A532-V548 HydrophobicContact CB-CB 4.4Å; A532-V548 HydrophobicContact CB-CG2 3.42Å; A532-V548 VanDerWaalsContact CB-CG2 3.42Å; A544-V548 WeakPolarHBondContact O-CG2 3.28Å; A544-V548 PolarHBondContact O-N 3.01Å; V548-Q550 VanDerWaalsContact C-N 3.28Å; V548-Q550 PolarHBondContact O-N 3.43Å; V548-A551 WeakPolarHBondContact O-CB 3.43Å; V548-A551 PolarHBondContact O-N 3.47Å; V548-L552 HydrophobicContact CG1-CD1 3.95Å; V548-L552 HydrophobicContact CG1-CG 4.37Å; V548-L552 WeakPolarHBondContact O-CG 3.32Å; V548-L552 PolarHBondContact O-N 3.15Å; V548-S561 WeakPolarHBondContact CG1-O 3.45Å; V548-L564 HydrophobicContact CG2-CB 4.28Å; V548-L564 HydrophobicContact CG2-CD2 3.45Å; V548-L564 VanDerWaalsContact CG2-CD2 3.45Å; V548-L564 HydrophobicContact CG2-CG 3.69Å; V548-L565 HydrophobicContact CG1-CB 3.81Å; V548-L565 HydrophobicContact CG1-CD1 4.47Å; V548-L568 HydrophobicContact CB-CD1 4.33Å; V548-L568 HydrophobicContact CG2-CD1 3.57Å |
| 549 | R | 97.3 | Very high | 96.4 | Very high | 151 Ų | 151 | 58.7 Ų | 58.7 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.2 | -37.2 | 175.4 | -73.7 | 174.2 | 179.5 | 158.6 | 0.8 | 111.8 | L545 G546 Y547 L552 Q553 | L545-R549 WeakPolarHBondContact O-CB 3.2Å; L545-R549 VanDerWaalsContact O-CG 3.29Å; L545-R549 WeakPolarHBondContact O-CG 3.39Å; L545-R549 PolarHBondContact O-N 2.96Å; L545-R549 VanDerWaalsContact O-N 3.09Å; G546-R549 PolarHBondContact O-N 3.2Å; Y547-R549 VanDerWaalsContact C-N 3.34Å; R549-L552 PolarHBondContact O-N 3.38Å; R549-Q553 WeakPolarHBondContact O-CB 3.34Å; R549-Q553 PolarHBondContact O-N 3.44Å |
| 550 | Q | 96.8 | Very high | 96.5 | Very high | 63 Ų | 63 | 59 Ų | 59 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 172.2 | -174.3 | 177.9 | 9.4 | 0 | 0 | 111.7 | G546 Y547 V548 L552 Q553 L554 | G546-Q550 PolarHBondContact O-N 2.83Å; G546-Q550 VanDerWaalsContact O-N 3.07Å; Y547-Q550 WeakPolarHBondContact O-CB 3.4Å; Y547-Q550 PolarHBondContact O-N 3.14Å; V548-Q550 VanDerWaalsContact C-N 3.28Å; V548-Q550 PolarHBondContact O-N 3.43Å; Q550-L552 PolarHBondContact O-N 3.1Å; Q550-Q553 WeakPolarHBondContact O-CB 3.4Å; Q550-Q553 PolarHBondContact O-N 3.18Å; Q550-L554 WeakPolarHBondContact O-CG 3.36Å; Q550-L554 PolarHBondContact O-N 2.92Å; Q550-L554 VanDerWaalsContact O-N 3.14Å |
| 551 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A528 F529 Y547 V548 Q553 L554 Q555 | A528-A551 HydrophobicContact CB-CB 3.97Å; F529-A551 HydrophobicContact CB-CB 4.11Å; Y547-A551 PolarHBondContact O-N 2.8Å; V548-A551 WeakPolarHBondContact O-CB 3.43Å; V548-A551 PolarHBondContact O-N 3.47Å; A551-Q553 VanDerWaalsContact C-N 3.32Å; A551-Q553 PolarHBondContact O-N 3.09Å; A551-L554 WeakPolarHBondContact O-CB 3.43Å; A551-L554 PolarHBondContact O-N 3.15Å; A551-L554 VanDerWaalsContact O-N 3.14Å; A551-Q555 PolarHBondContact O-N 3.06Å |
| 552 | L | 97 | Very high | 96.6 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 175.5 | -70.3 | 170 | 0 | 0 | 0 | 113.2 | V548 R549 Q550 L554 Q555 G556 L562 L565 | V548-L552 HydrophobicContact CG1-CD1 3.95Å; V548-L552 HydrophobicContact CG1-CG 4.37Å; V548-L552 WeakPolarHBondContact O-CG 3.32Å; V548-L552 PolarHBondContact O-N 3.15Å; R549-L552 PolarHBondContact O-N 3.38Å; Q550-L552 PolarHBondContact O-N 3.1Å; L552-L554 VanDerWaalsContact C-N 3.27Å; L552-L554 PolarHBondContact O-N 2.89Å; L552-Q555 WeakPolarHBondContact CA-O 3.42Å; L552-Q555 CarbonylContact O-C 3.39Å; L552-G556 WeakPolarHBondContact O-CA 3.39Å; L552-G556 PolarHBondContact O-N 3.03Å; L552-G556 VanDerWaalsContact O-N 3.07Å; L552-L562 HydrophobicContact CD1-CD2 4.24Å; L552-L562 HydrophobicContact CD2-CD2 3.67Å; L552-L562 HydrophobicContact CD2-CG 3.86Å; L552-L565 HydrophobicContact CD1-CB 4.27Å; L552-L565 HydrophobicContact CD1-CD2 3.67Å |
| 553 | Q | 97.3 | Very high | 96.7 | Very high | 168 Ų | 168 | 51 Ų | 51 | 79% | 0.785 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.5 | -31.6 | 173 | -172.3 | 177 | 12.6 | 0 | 0 | 111.7 | R549 Q550 A551 | R549-Q553 WeakPolarHBondContact O-CB 3.34Å; R549-Q553 PolarHBondContact O-N 3.44Å; Q550-Q553 WeakPolarHBondContact O-CB 3.4Å; Q550-Q553 PolarHBondContact O-N 3.18Å; A551-Q553 VanDerWaalsContact C-N 3.32Å; A551-Q553 PolarHBondContact O-N 3.09Å |
| 554 | L | 96.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -80.2 | -39.8 | 175.5 | -64.3 | 168.9 | 0 | 0 | 0 | 111.9 | H525 Q550 A551 L552 | H525-L554 HydrophobicContact CB-CB 3.84Å; H525-L554 HydrophobicContact CB-CD1 4.23Å; Q550-L554 WeakPolarHBondContact O-CG 3.36Å; Q550-L554 PolarHBondContact O-N 2.92Å; Q550-L554 VanDerWaalsContact O-N 3.14Å; A551-L554 WeakPolarHBondContact O-CB 3.43Å; A551-L554 PolarHBondContact O-N 3.15Å; A551-L554 VanDerWaalsContact O-N 3.14Å; L552-L554 VanDerWaalsContact C-N 3.27Å; L552-L554 PolarHBondContact O-N 2.89Å |
| 555 | Q | 95.8 | Very high | 96.8 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | trans | -140.6 | 96.8 | 178.2 | -69.1 | -64 | -64.5 | 0 | 0 | 110.1 | H525 A551 L552 D557 D558 | H525-Q555 HydrophobicContact CB-CB 4.19Å; H525-Q555 HydrophobicContact CB-CG 3.84Å; A551-Q555 PolarHBondContact O-N 3.06Å; L552-Q555 WeakPolarHBondContact CA-O 3.42Å; L552-Q555 CarbonylContact O-C 3.39Å; Q555-D557 VanDerWaalsContact C-N 3.31Å; Q555-D557 PolarHBondContact O-N 2.9Å; Q555-D558 HydrophobicContact CB-CB 4.2Å | ||
| 556 | G | 93.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L552 | L552-G556 WeakPolarHBondContact O-CA 3.39Å; L552-G556 PolarHBondContact O-N 3.03Å; L552-G556 VanDerWaalsContact O-N 3.07Å |
| 557 | D | 91.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.5 | -171.9 | -51.4 | -29.2 | 0 | 0 | 0 | 112.4 | Q555 V559 Y589 | Q555-D557 VanDerWaalsContact C-N 3.31Å; Q555-D557 PolarHBondContact O-N 2.9Å; D557-V559 PolarHBondContact O-N 2.86Å; D557-Y589 WeakPolarHBondContact O-CE2 3.41Å; D557-Y589 PolarHBondContact O-OH 3.48Å |
| 558 | D | 95.2 | Very high | 96.8 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | trans | -68.4 | 116.7 | -179.7 | 176.2 | 49.4 | 0 | 0 | 0 | 111.7 | Q555 H560 S561 L562 | Q555-D558 HydrophobicContact CB-CB 4.2Å; D558-H560 VanDerWaalsContact C-N 3.27Å; D558-H560 PolarHBondContact O-N 3.12Å; D558-S561 PolarHBondContact O-N 2.98Å; D558-S561 WeakPolarHBondContact OD2-CB 3.46Å; D558-S561 PolarHBondContact OD2-N 3.46Å; D558-S561 PolarHBondContact OD2-OG 3.32Å; D558-L562 WeakPolarHBondContact O-CG 3.43Å; D558-L562 PolarHBondContact O-N 3.42Å | ||
| 559 | V | 95.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -38.9 | -175.9 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | D557 H563 Y589 N592 L595 | D557-V559 PolarHBondContact O-N 2.86Å; V559-H563 VanDerWaalsContact O-CB 3.3Å; V559-H563 WeakPolarHBondContact O-CB 3.31Å; V559-H563 PolarHBondContact O-N 2.79Å; V559-Y589 HydrophobicContact CB-CD2 3.9Å; V559-Y589 HydrophobicContact CB-CE1 4.36Å; V559-Y589 HydrophobicContact CB-CE2 3.74Å; V559-Y589 HydrophobicContact CB-CG 4.29Å; V559-Y589 HydrophobicContact CG2-CD1 4.48Å; V559-Y589 HydrophobicContact CG2-CD2 3.78Å; V559-Y589 HydrophobicContact CG2-CE2 4.17Å; V559-Y589 HydrophobicContact CG2-CG 3.96Å; V559-N592 WeakPolarHBondContact CG2-ND2 3.42Å; V559-L595 HydrophobicContact CG2-CD1 3.84Å; V559-L595 HydrophobicContact CG2-CG 4.32Å |
| 560 | H | 96.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -76.3 | -39.3 | -176.8 | -65.6 | -46 | 0 | 0 | 0 | 111.9 | F529 D558 H563 L564 I850 | F529-H560 HydrophobicContact CE1-CB 4.13Å; F529-H560 HydrophobicContact CE2-CB 3.83Å; F529-H560 WeakPolarHBondContact CE2-O 3.31Å; F529-H560 HydrophobicContact CZ-CB 3.64Å; D558-H560 VanDerWaalsContact C-N 3.27Å; D558-H560 PolarHBondContact O-N 3.12Å; H560-H563 PolarHBondContact O-N 3.14Å; H560-L564 WeakPolarHBondContact O-CB 3.19Å; H560-L564 PolarHBondContact O-N 3.43Å; H560-I850 HydrophobicContact CB-CG2 3.93Å |
| 561 | S | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.7 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | F529 V548 D558 L564 L565 | F529-S561 WeakPolarHBondContact CD2-OG 3.23Å; V548-S561 WeakPolarHBondContact CG1-O 3.45Å; D558-S561 PolarHBondContact O-N 2.98Å; D558-S561 WeakPolarHBondContact OD2-CB 3.46Å; D558-S561 PolarHBondContact OD2-N 3.46Å; D558-S561 PolarHBondContact OD2-OG 3.32Å; S561-L564 PolarHBondContact O-N 2.9Å; S561-L565 WeakPolarHBondContact O-CB 3.4Å; S561-L565 PolarHBondContact O-N 3.44Å |
| 562 | L | 97.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.7 | -70.3 | 175.6 | 0 | 0 | 0 | 111.6 | L552 D558 L564 L565 A566 I581 M584 A585 | L552-L562 HydrophobicContact CD1-CD2 4.24Å; L552-L562 HydrophobicContact CD2-CD2 3.67Å; L552-L562 HydrophobicContact CD2-CG 3.86Å; D558-L562 WeakPolarHBondContact O-CG 3.43Å; D558-L562 PolarHBondContact O-N 3.42Å; L562-L564 PolarHBondContact O-N 2.99Å; L562-L565 WeakPolarHBondContact O-CB 3.26Å; L562-L565 PolarHBondContact O-N 3.43Å; L562-A566 PolarHBondContact O-N 3.46Å; L562-I581 HydrophobicContact CB-CG2 4.48Å; L562-I581 HydrophobicContact CD2-CG2 4.36Å; L562-I581 WeakPolarHBondContact O-CG2 3.49Å; L562-M584 HydrophobicContact CD1-CE 4.32Å; L562-M584 HydrophobicContact CD2-CE 3.46Å; L562-M584 VanDerWaalsContact CD2-CE 3.46Å; L562-A585 HydrophobicContact CB-CB 4.04Å; L562-A585 HydrophobicContact CD1-CB 3.94Å |
| 563 | H | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 175.9 | -167 | 179.9 | 0 | 0 | 0 | 111.4 | V559 H560 L565 A566 L567 L595 T598 I850 | V559-H563 VanDerWaalsContact O-CB 3.3Å; V559-H563 WeakPolarHBondContact O-CB 3.31Å; V559-H563 PolarHBondContact O-N 2.79Å; H560-H563 PolarHBondContact O-N 3.14Å; H563-L565 VanDerWaalsContact C-N 3.34Å; H563-L565 PolarHBondContact O-N 3.22Å; H563-A566 PolarHBondContact O-N 2.98Å; H563-L567 WeakPolarHBondContact O-CG 3.14Å; H563-L567 PolarHBondContact O-N 3.35Å; H563-L595 HydrophobicContact CB-CD2 3.67Å; H563-T598 PolarHBondContact CE1-OG1 3.38Å; H563-T598 PolarHBondContact NE2-OG1 2.86Å; H563-I850 HydrophobicContact CB-CD1 4.1Å; H563-I850 HydrophobicContact CB-CG1 4.47Å |
| 564 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 178.6 | -175.5 | 57.7 | 0 | 0 | 0 | 112 | F529 A532 L533 A536 V548 H560 S561 L562 A566 L567 L568 F847 I850 | F529-L564 HydrophobicContact CD2-CD2 4.12Å; F529-L564 HydrophobicContact CE2-CB 3.99Å; F529-L564 HydrophobicContact CE2-CD2 3.75Å; A532-L564 HydrophobicContact CB-CD2 4.07Å; L533-L564 HydrophobicContact CB-CD2 3.92Å; L533-L564 HydrophobicContact CD1-CD1 3.79Å; L533-L564 HydrophobicContact CD1-CD2 4.19Å; A536-L564 HydrophobicContact CB-CD1 4.08Å; V548-L564 HydrophobicContact CG2-CB 4.28Å; V548-L564 HydrophobicContact CG2-CD2 3.45Å; V548-L564 VanDerWaalsContact CG2-CD2 3.45Å; V548-L564 HydrophobicContact CG2-CG 3.69Å; H560-L564 WeakPolarHBondContact O-CB 3.19Å; H560-L564 PolarHBondContact O-N 3.43Å; S561-L564 PolarHBondContact O-N 2.9Å; L562-L564 PolarHBondContact O-N 2.99Å; L564-A566 PolarHBondContact O-N 3.06Å; L564-L567 PolarHBondContact O-N 3.49Å; L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CG 4.29Å; L564-L568 HydrophobicContact CG-CD1 4.05Å; L564-L568 HydrophobicContact CG-CG 4.4Å; L564-L568 WeakPolarHBondContact O-CB 3.35Å; L564-L568 VanDerWaalsContact O-CG 3.29Å; L564-L568 WeakPolarHBondContact O-CG 3.24Å; L564-L568 PolarHBondContact O-N 2.93Å; L564-F847 HydrophobicContact CD1-CD1 3.75Å; L564-F847 HydrophobicContact CD1-CE1 4.32Å; L564-I850 HydrophobicContact CB-CD1 3.67Å; L564-I850 HydrophobicContact CD1-CD1 4.21Å; L564-I850 HydrophobicContact CG-CD1 4.47Å |
| 565 | L | 98.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.8 | 179.5 | 59.4 | 0 | 0 | 0 | 111 | L545 V548 L552 S561 L562 H563 L567 L568 L569 I581 | L545-L565 HydrophobicContact CD2-CD1 3.68Å; V548-L565 HydrophobicContact CG1-CB 3.81Å; V548-L565 HydrophobicContact CG1-CD1 4.47Å; L552-L565 HydrophobicContact CD1-CB 4.27Å; L552-L565 HydrophobicContact CD1-CD2 3.67Å; S561-L565 WeakPolarHBondContact O-CB 3.4Å; S561-L565 PolarHBondContact O-N 3.44Å; L562-L565 WeakPolarHBondContact O-CB 3.26Å; L562-L565 PolarHBondContact O-N 3.43Å; H563-L565 VanDerWaalsContact C-N 3.34Å; H563-L565 PolarHBondContact O-N 3.22Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.4Å; L565-L568 PolarHBondContact O-N 3.45Å; L565-L569 HydrophobicContact CD1-CD1 4.3Å; L565-L569 HydrophobicContact CD1-CG 4.3Å; L565-L569 HydrophobicContact CG-CD1 4.16Å; L565-L569 WeakPolarHBondContact O-CG 3.35Å; L565-L569 PolarHBondContact O-N 3.41Å; L565-I581 HydrophobicContact CD2-CD1 4.07Å; L565-I581 HydrophobicContact CD2-CG1 4.26Å; L565-I581 HydrophobicContact CD2-CG2 4.31Å; L565-I581 HydrophobicContact CG-CG2 4.48Å |
| 566 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L562 H563 L564 L569 S570 A578 I581 I582 | L562-A566 PolarHBondContact O-N 3.46Å; H563-A566 PolarHBondContact O-N 2.98Å; L564-A566 PolarHBondContact O-N 3.06Å; A566-L569 PolarHBondContact O-N 3.45Å; A566-S570 WeakPolarHBondContact O-CB 3.49Å; A566-S570 PolarHBondContact O-N 3.49Å; A566-A578 HydrophobicContact CB-CB 4.41Å; A566-A578 VanDerWaalsContact O-CB 3.31Å; A566-A578 WeakPolarHBondContact O-CB 3.48Å; A566-I581 HydrophobicContact CB-CB 4.31Å; A566-I581 HydrophobicContact CB-CG2 4.11Å; A566-I582 HydrophobicContact CB-CD1 3.6Å; A566-I582 HydrophobicContact CB-CG1 3.58Å |
| 567 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.5 | -66.3 | 177.4 | 0 | 0 | 0 | 111.9 | H563 L564 L565 S570 A571 T598 I844 L845 F847 I849 I850 | H563-L567 WeakPolarHBondContact O-CG 3.14Å; H563-L567 PolarHBondContact O-N 3.35Å; L564-L567 PolarHBondContact O-N 3.49Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.4Å; L567-S570 PolarHBondContact O-N 3.15Å; L567-S570 PolarHBondContact O-OG 2.96Å; L567-A571 PolarHBondContact O-N 3.24Å; L567-T598 HydrophobicContact CD2-CG2 3.87Å; L567-I844 HydrophobicContact CD2-CG2 4.09Å; L567-L845 HydrophobicContact CD2-CB 4.03Å; L567-F847 HydrophobicContact CB-CD1 3.82Å; L567-F847 HydrophobicContact CB-CE1 3.76Å; L567-F847 HydrophobicContact CD1-CD1 4.24Å; L567-I849 HydrophobicContact CD1-CG2 3.8Å; L567-I850 HydrophobicContact CD1-CD1 4.11Å; L567-I850 HydrophobicContact CD1-CG1 4.41Å |
| 568 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 176.8 | -72.8 | 168.2 | 0 | 0 | 0 | 112.3 | A536 I541 A544 L545 V548 L564 L565 S570 A571 Q572 F847 | A536-L568 HydrophobicContact CB-CD2 3.79Å; I541-L568 HydrophobicContact CD1-CD2 4.11Å; I541-L568 HydrophobicContact CG2-CD2 4.02Å; A544-L568 HydrophobicContact CB-CD1 3.91Å; A544-L568 HydrophobicContact CB-CD2 3.72Å; L545-L568 HydrophobicContact CD2-CB 3.58Å; L545-L568 HydrophobicContact CD2-CD1 3.94Å; L545-L568 HydrophobicContact CD2-CG 4.38Å; L545-L568 HydrophobicContact CG-CB 3.96Å; L545-L568 HydrophobicContact CG-CD1 4.1Å; V548-L568 HydrophobicContact CB-CD1 4.33Å; V548-L568 HydrophobicContact CG2-CD1 3.57Å; L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CG 4.29Å; L564-L568 HydrophobicContact CG-CD1 4.05Å; L564-L568 HydrophobicContact CG-CG 4.4Å; L564-L568 WeakPolarHBondContact O-CB 3.35Å; L564-L568 VanDerWaalsContact O-CG 3.29Å; L564-L568 WeakPolarHBondContact O-CG 3.24Å; L564-L568 PolarHBondContact O-N 2.93Å; L565-L568 PolarHBondContact O-N 3.45Å; L568-S570 VanDerWaalsContact C-N 3.32Å; L568-A571 WeakPolarHBondContact O-CB 3.4Å; L568-A571 PolarHBondContact O-N 2.91Å; L568-Q572 PolarHBondContact O-N 3.45Å; L568-Q572 VanDerWaalsContact O-N 3.17Å; L568-F847 HydrophobicContact CD2-CE1 3.89Å; L568-F847 HydrophobicContact CD2-CZ 3.97Å; L568-F847 HydrophobicContact CG-CE1 4.16Å |
| 569 | L | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.099 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 173.2 | -70.3 | 172.9 | 0 | 0 | 0 | 111.3 | L565 A566 A571 Q572 K573 H574 D577 A578 I581 | L565-L569 HydrophobicContact CD1-CD1 4.3Å; L565-L569 HydrophobicContact CD1-CG 4.3Å; L565-L569 HydrophobicContact CG-CD1 4.16Å; L565-L569 WeakPolarHBondContact O-CG 3.35Å; L565-L569 PolarHBondContact O-N 3.41Å; A566-L569 PolarHBondContact O-N 3.45Å; L569-A571 VanDerWaalsContact C-N 3.28Å; L569-A571 PolarHBondContact O-N 3.15Å; L569-Q572 CarbonylContact O-C 3.36Å; L569-Q572 PolarHBondContact O-N 3.11Å; L569-Q572 VanDerWaalsContact O-N 3.12Å; L569-K573 PolarHBondContact O-N 3.15Å; L569-H574 HydrophobicContact CB-CB 4.44Å; L569-H574 PolarHBondContact O-N 3.04Å; L569-D577 HydrophobicContact CD1-CB 4.13Å; L569-A578 HydrophobicContact CB-CB 3.97Å; L569-I581 HydrophobicContact CD1-CG1 4.05Å |
| 570 | S | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -33.8 | 174.1 | 83.4 | 0 | 0 | 0 | 0 | 112.4 | A566 L567 L568 Q572 K573 I844 | A566-S570 WeakPolarHBondContact O-CB 3.49Å; A566-S570 PolarHBondContact O-N 3.49Å; L567-S570 PolarHBondContact O-N 3.15Å; L567-S570 PolarHBondContact O-OG 2.96Å; L568-S570 VanDerWaalsContact C-N 3.32Å; S570-Q572 VanDerWaalsContact C-N 3.26Å; S570-Q572 PolarHBondContact O-N 3.1Å; S570-K573 WeakPolarHBondContact O-CA 3.16Å; S570-K573 PolarHBondContact O-N 2.81Å; S570-I844 PolarHBondContact OG-N 2.71Å |
| 571 | A | 96.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -30.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I541 L567 L568 L569 K573 S842 P843 F847 | I541-A571 HydrophobicContact CD1-CB 4.11Å; L567-A571 PolarHBondContact O-N 3.24Å; L568-A571 WeakPolarHBondContact O-CB 3.4Å; L568-A571 PolarHBondContact O-N 2.91Å; L569-A571 VanDerWaalsContact C-N 3.28Å; L569-A571 PolarHBondContact O-N 3.15Å; A571-K573 PolarHBondContact O-N 3.35Å; A571-S842 WeakPolarHBondContact CA-O 3.34Å; A571-P843 HydrophobicContact CB-CB 4.09Å; A571-F847 HydrophobicContact CB-CZ 4.11Å |
| 572 | Q | 96.7 | Very high | 97.6 | Very high | 72 Ų | 72 | 31.4 Ų | 31.4 | 34% | 0.336 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 5.7 | 170.4 | -63.1 | -175.1 | -29.9 | 0 | 0 | 113.4 | I541 L568 L569 S570 H574 | I541-Q572 HydrophobicContact CG2-CG 3.84Å; L568-Q572 PolarHBondContact O-N 3.45Å; L568-Q572 VanDerWaalsContact O-N 3.17Å; L569-Q572 CarbonylContact O-C 3.36Å; L569-Q572 PolarHBondContact O-N 3.11Å; L569-Q572 VanDerWaalsContact O-N 3.12Å; S570-Q572 VanDerWaalsContact C-N 3.26Å; S570-Q572 PolarHBondContact O-N 3.1Å; Q572-H574 PolarHBondContact O-N 3.44Å |
| 573 | K | 96.1 | Very high | 97.5 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 16.8 | -176 | -44.5 | -57.7 | -177 | -172 | 0 | 114.3 | L569 S570 A571 Y575 E839 S842 | L569-K573 PolarHBondContact O-N 3.15Å; S570-K573 WeakPolarHBondContact O-CA 3.16Å; S570-K573 PolarHBondContact O-N 2.81Å; A571-K573 PolarHBondContact O-N 3.35Å; K573-Y575 VanDerWaalsContact C-N 3.25Å; K573-Y575 HydrophobicContact CB-CE2 4.42Å; K573-Y575 HydrophobicContact CD-CE1 4.48Å; K573-Y575 VanDerWaalsContact CD-OH 3.3Å; K573-Y575 WeakPolarHBondContact CD-OH 3.24Å; K573-Y575 PolarHBondContact O-N 2.87Å; K573-E839 WeakPolarHBondContact CE-O 3.31Å; K573-E839 PolarHBondContact NZ-O 2.85Å; K573-E839 VanDerWaalsContact NZ-O 3.07Å; K573-E839 IonicContact NZ-OE1 2.67Å; K573-E839 PolarHBondContact NZ-OE1 2.86Å; K573-E839 IonicContact NZ-OE2 3.48Å; K573-S842 PolarHBondContact NZ-O 3.09Å; K573-S842 VanDerWaalsContact NZ-O 3.17Å |
| 574 | H | 97.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 43% | 0.431 | 19% | 0.186 | S | C | . | . | trans | -82.9 | 66.1 | 171.8 | -60.7 | 152.6 | 0 | 0 | 0 | 110.7 | L569 Q572 H576 D577 A578 | L569-H574 HydrophobicContact CB-CB 4.44Å; L569-H574 PolarHBondContact O-N 3.04Å; Q572-H574 PolarHBondContact O-N 3.44Å; H574-H576 PolarHBondContact O-N 3.25Å; H574-D577 HydrophobicContact CB-CB 4.38Å; H574-D577 PolarHBondContact O-N 2.94Å; H574-A578 WeakPolarHBondContact O-CB 3.42Å; H574-A578 PolarHBondContact O-N 3.45Å | ||
| 575 | Y | 97.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 38.8 Ų | 38.8 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -33.8 | -171.9 | -59.9 | -52.1 | 0 | 0 | 0 | 114.3 | K573 L579 L602 I844 | K573-Y575 VanDerWaalsContact C-N 3.25Å; K573-Y575 HydrophobicContact CB-CE2 4.42Å; K573-Y575 HydrophobicContact CD-CE1 4.48Å; K573-Y575 VanDerWaalsContact CD-OH 3.3Å; K573-Y575 WeakPolarHBondContact CD-OH 3.24Å; K573-Y575 PolarHBondContact O-N 2.87Å; Y575-L579 WeakPolarHBondContact O-CB 3.41Å; Y575-L579 PolarHBondContact O-N 3.47Å; Y575-L602 HydrophobicContact CD1-CD2 3.94Å; Y575-I844 HydrophobicContact CE1-CD1 4.5Å |
| 576 | H | 96.8 | Very high | 97.2 | Very high | 111 Ų | 111 | 38.7 Ų | 38.7 | 51% | 0.514 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 177.7 | -67.7 | -59.6 | 0 | 0 | 0 | 111.8 | H574 L579 N580 | H574-H576 PolarHBondContact O-N 3.25Å; H576-L579 PolarHBondContact O-N 3.37Å; H576-N580 VanDerWaalsContact O-CG 3.24Å; H576-N580 PolarHBondContact O-N 2.94Å; H576-N580 PolarHBondContact O-ND2 3.41Å |
| 577 | D | 97.2 | Very high | 97.1 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.5 | -62.2 | -29 | 0 | 0 | 0 | 111.1 | L569 H574 L579 N580 I581 | L569-D577 HydrophobicContact CD1-CB 4.13Å; H574-D577 HydrophobicContact CB-CB 4.38Å; H574-D577 PolarHBondContact O-N 2.94Å; D577-L579 VanDerWaalsContact C-N 3.32Å; D577-L579 PolarHBondContact O-N 3.31Å; D577-N580 PolarHBondContact O-N 3.04Å; D577-I581 WeakPolarHBondContact O-CG1 3.48Å; D577-I581 PolarHBondContact O-N 2.93Å |
| 578 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A566 L569 H574 I581 I582 L602 | A566-A578 HydrophobicContact CB-CB 4.41Å; A566-A578 VanDerWaalsContact O-CB 3.31Å; A566-A578 WeakPolarHBondContact O-CB 3.48Å; L569-A578 HydrophobicContact CB-CB 3.97Å; H574-A578 WeakPolarHBondContact O-CB 3.42Å; H574-A578 PolarHBondContact O-N 3.45Å; A578-I581 PolarHBondContact O-N 3.39Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 2.88Å; A578-L602 HydrophobicContact CB-CD1 4.01Å; A578-L602 HydrophobicContact CB-CD2 4.02Å |
| 579 | L | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.9 | -177.5 | 62 | 0 | 0 | 0 | 111.5 | Y575 H576 D577 I581 I582 E583 K599 L602 E603 R607 | Y575-L579 WeakPolarHBondContact O-CB 3.41Å; Y575-L579 PolarHBondContact O-N 3.47Å; H576-L579 PolarHBondContact O-N 3.37Å; D577-L579 VanDerWaalsContact C-N 3.32Å; D577-L579 PolarHBondContact O-N 3.31Å; L579-I581 VanDerWaalsContact C-N 3.31Å; L579-I581 PolarHBondContact O-N 3.07Å; L579-I582 PolarHBondContact O-N 2.88Å; L579-I582 VanDerWaalsContact O-N 3.12Å; L579-E583 HydrophobicContact CD1-CG 4.42Å; L579-E583 HydrophobicContact CG-CG 4.47Å; L579-E583 WeakPolarHBondContact O-CG 3.43Å; L579-E583 PolarHBondContact O-N 3.42Å; L579-K599 HydrophobicContact CD1-CG 4.05Å; L579-L602 HydrophobicContact CB-CB 4.46Å; L579-L602 HydrophobicContact CD1-CB 4.15Å; L579-E603 HydrophobicContact CD1-CG 4.05Å; L579-E603 HydrophobicContact CD2-CG 4.36Å; L579-R607 HydrophobicContact CD2-CG 4.07Å |
| 580 | N | 97.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.2 | -66.7 | -23.1 | 0 | 0 | 0 | 111.8 | H576 D577 E583 M584 | H576-N580 VanDerWaalsContact O-CG 3.24Å; H576-N580 PolarHBondContact O-N 2.94Å; H576-N580 PolarHBondContact O-ND2 3.41Å; D577-N580 PolarHBondContact O-N 3.04Å; N580-E583 PolarHBondContact O-N 3.05Å; N580-M584 WeakPolarHBondContact O-CB 3.33Å; N580-M584 PolarHBondContact O-N 3.39Å |
| 581 | I | 97.4 | Very high | 96 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.6 | -64.1 | -61.6 | 0 | 0 | 0 | 111.2 | L562 L565 A566 L569 D577 A578 L579 M584 A585 | L562-I581 HydrophobicContact CB-CG2 4.48Å; L562-I581 HydrophobicContact CD2-CG2 4.36Å; L562-I581 WeakPolarHBondContact O-CG2 3.49Å; L565-I581 HydrophobicContact CD2-CD1 4.07Å; L565-I581 HydrophobicContact CD2-CG1 4.26Å; L565-I581 HydrophobicContact CD2-CG2 4.31Å; L565-I581 HydrophobicContact CG-CG2 4.48Å; A566-I581 HydrophobicContact CB-CB 4.31Å; A566-I581 HydrophobicContact CB-CG2 4.11Å; L569-I581 HydrophobicContact CD1-CG1 4.05Å; D577-I581 WeakPolarHBondContact O-CG1 3.48Å; D577-I581 PolarHBondContact O-N 2.93Å; A578-I581 PolarHBondContact O-N 3.39Å; L579-I581 VanDerWaalsContact C-N 3.31Å; L579-I581 PolarHBondContact O-N 3.07Å; I581-M584 HydrophobicContact CD1-CE 4.08Å; I581-M584 PolarHBondContact O-N 3.17Å; I581-A585 WeakPolarHBondContact O-CB 3.48Å; I581-A585 PolarHBondContact O-N 2.93Å |
| 582 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.1 | -69.5 | -65.5 | 0 | 0 | 0 | 111.6 | A566 A578 L579 M584 A585 L586 L595 T598 K599 L602 | A566-I582 HydrophobicContact CB-CD1 3.6Å; A566-I582 HydrophobicContact CB-CG1 3.58Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 2.88Å; L579-I582 PolarHBondContact O-N 2.88Å; L579-I582 VanDerWaalsContact O-N 3.12Å; I582-M584 VanDerWaalsContact C-N 3.35Å; I582-A585 PolarHBondContact O-N 3.32Å; I582-L586 HydrophobicContact CG2-CD1 3.73Å; I582-L586 HydrophobicContact CG2-CG 4.32Å; I582-L586 WeakPolarHBondContact O-CB 3.15Å; I582-L586 VanDerWaalsContact O-CG 3.26Å; I582-L586 WeakPolarHBondContact O-CG 3.39Å; I582-L586 PolarHBondContact O-N 3Å; I582-L595 HydrophobicContact CD1-CD2 3.83Å; I582-T598 HydrophobicContact CD1-CG2 4.03Å; I582-T598 HydrophobicContact CG1-CG2 4.29Å; I582-K599 HydrophobicContact CG2-CB 3.71Å; I582-K599 HydrophobicContact CG2-CG 4.3Å; I582-L602 HydrophobicContact CG1-CD1 3.88Å |
| 583 | E | 96.4 | Very high | 95.6 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.8 | -72.8 | 177.2 | 168.8 | 0 | 0 | 111.8 | L579 N580 L586 S587 | L579-E583 HydrophobicContact CD1-CG 4.42Å; L579-E583 HydrophobicContact CG-CG 4.47Å; L579-E583 WeakPolarHBondContact O-CG 3.43Å; L579-E583 PolarHBondContact O-N 3.42Å; N580-E583 PolarHBondContact O-N 3.05Å; E583-L586 PolarHBondContact O-N 2.97Å; E583-S587 PolarHBondContact O-N 2.67Å |
| 584 | M | 95.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 58.4 Ų | 58.4 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 172.1 | -176.8 | -172.4 | 72.2 | 0 | 0 | 111.8 | L562 N580 I581 I582 L586 S587 | L562-M584 HydrophobicContact CD1-CE 4.32Å; L562-M584 HydrophobicContact CD2-CE 3.46Å; L562-M584 VanDerWaalsContact CD2-CE 3.46Å; N580-M584 WeakPolarHBondContact O-CB 3.33Å; N580-M584 PolarHBondContact O-N 3.39Å; I581-M584 HydrophobicContact CD1-CE 4.08Å; I581-M584 PolarHBondContact O-N 3.17Å; I582-M584 VanDerWaalsContact C-N 3.35Å; M584-L586 VanDerWaalsContact C-N 3.28Å; M584-L586 PolarHBondContact O-N 3.23Å; M584-S587 PolarHBondContact O-N 3.37Å; M584-S587 PolarHBondContact O-OG 3.25Å |
| 585 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L562 I581 I582 S587 E588 Y589 L595 | L562-A585 HydrophobicContact CB-CB 4.04Å; L562-A585 HydrophobicContact CD1-CB 3.94Å; I581-A585 WeakPolarHBondContact O-CB 3.48Å; I581-A585 PolarHBondContact O-N 2.93Å; I582-A585 PolarHBondContact O-N 3.32Å; A585-S587 VanDerWaalsContact C-N 3.35Å; A585-E588 PolarHBondContact O-N 2.86Å; A585-Y589 WeakPolarHBondContact O-CB 3.27Å; A585-Y589 WeakPolarHBondContact O-CD2 3.39Å; A585-Y589 PolarHBondContact O-N 2.93Å; A585-L595 HydrophobicContact CB-CD1 3.7Å; A585-L595 HydrophobicContact CB-CD2 4.38Å |
| 586 | L | 96.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.6 | -18 | 177.1 | -73.6 | 168.5 | 0 | 0 | 0 | 113.6 | I582 E583 M584 E588 Y589 P590 L595 L596 K599 | I582-L586 HydrophobicContact CG2-CD1 3.73Å; I582-L586 HydrophobicContact CG2-CG 4.32Å; I582-L586 WeakPolarHBondContact O-CB 3.15Å; I582-L586 VanDerWaalsContact O-CG 3.26Å; I582-L586 WeakPolarHBondContact O-CG 3.39Å; I582-L586 PolarHBondContact O-N 3Å; E583-L586 PolarHBondContact O-N 2.97Å; M584-L586 VanDerWaalsContact C-N 3.28Å; M584-L586 PolarHBondContact O-N 3.23Å; L586-E588 VanDerWaalsContact C-N 3.32Å; L586-Y589 WeakPolarHBondContact CD2-O 3.12Å; L586-Y589 CarbonylContact O-C 3.55Å; L586-P590 WeakPolarHBondContact O-CA 3.41Å; L586-P590 VanDerWaalsContact O-N 3.14Å; L586-L595 HydrophobicContact CD2-CB 3.65Å; L586-L595 HydrophobicContact CD2-CD1 4.13Å; L586-L595 HydrophobicContact CG-CB 4.06Å; L586-L595 HydrophobicContact CG-CD1 4.35Å; L586-L596 HydrophobicContact CD1-CD2 3.81Å; L586-L596 HydrophobicContact CD2-CD2 3.73Å; L586-L596 HydrophobicContact CD2-CG 3.8Å; L586-L596 HydrophobicContact CG-CD2 4.44Å; L586-K599 HydrophobicContact CD1-CB 4.25Å; L586-K599 HydrophobicContact CD1-CD 3.49Å; L586-K599 VanDerWaalsContact CD1-CD 3.49Å; L586-K599 HydrophobicContact CD1-CG 4.44Å |
| 587 | S | 95.2 | Very high | 95.3 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69 | -35.1 | 171.1 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | E583 M584 A585 | E583-S587 PolarHBondContact O-N 2.67Å; M584-S587 PolarHBondContact O-N 3.37Å; M584-S587 PolarHBondContact O-OG 3.25Å; A585-S587 VanDerWaalsContact C-N 3.35Å |
| 588 | E | 94.4 | Very high | 95.3 | Very high | 123 Ų | 123 | 42.4 Ų | 42.4 | 58% | 0.575 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -85 | -35.5 | 174.6 | -59.4 | -53.2 | 135 | 0 | 0 | 112.5 | A585 L586 P590 | A585-E588 PolarHBondContact O-N 2.86Å; L586-E588 VanDerWaalsContact C-N 3.32Å; E588-P590 VanDerWaalsContact C-CD 3.42Å; E588-P590 WeakPolarHBondContact O-CD 3.35Å |
| 589 | Y | 94.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | trans | -123.3 | 65.5 | -176.7 | -55.8 | -78.1 | 0 | 0 | 0 | 112.3 | D557 V559 A585 L586 E591 N592 | D557-Y589 WeakPolarHBondContact O-CE2 3.41Å; D557-Y589 PolarHBondContact O-OH 3.48Å; V559-Y589 HydrophobicContact CB-CD2 3.9Å; V559-Y589 HydrophobicContact CB-CE1 4.36Å; V559-Y589 HydrophobicContact CB-CE2 3.74Å; V559-Y589 HydrophobicContact CB-CG 4.29Å; V559-Y589 HydrophobicContact CG2-CD1 4.48Å; V559-Y589 HydrophobicContact CG2-CD2 3.78Å; V559-Y589 HydrophobicContact CG2-CE2 4.17Å; V559-Y589 HydrophobicContact CG2-CG 3.96Å; A585-Y589 WeakPolarHBondContact O-CB 3.27Å; A585-Y589 WeakPolarHBondContact O-CD2 3.39Å; A585-Y589 PolarHBondContact O-N 2.93Å; L586-Y589 WeakPolarHBondContact CD2-O 3.12Å; L586-Y589 CarbonylContact O-C 3.55Å; Y589-E591 PolarHBondContact O-N 2.8Å; Y589-N592 PolarHBondContact O-N 3.37Å | ||
| 590 | P | 91.6 | Very high | 95.3 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.8 | -171.9 | 21.1 | -31.4 | 0 | 0 | 0 | 114.3 | L586 E588 I622 | L586-P590 WeakPolarHBondContact O-CA 3.41Å; L586-P590 VanDerWaalsContact O-N 3.14Å; E588-P590 VanDerWaalsContact C-CD 3.42Å; E588-P590 WeakPolarHBondContact O-CD 3.35Å; P590-I622 WeakPolarHBondContact O-CD1 3.34Å |
| 591 | E | 88.3 | Confident | 95.2 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 6.2 | -169 | -56.9 | 167 | 151.8 | 0 | 0 | 112.3 | Y589 F593 I622 F626 | Y589-E591 PolarHBondContact O-N 2.8Å; E591-F593 PolarHBondContact O-N 3.29Å; E591-I622 HydrophobicContact CB-CG2 4.37Å; E591-I622 HydrophobicContact CG-CG2 4.42Å; E591-F626 HydrophobicContact CB-CE2 3.71Å; E591-F626 HydrophobicContact CB-CZ 4Å; E591-F626 HydrophobicContact CG-CE2 3.54Å; E591-F626 HydrophobicContact CG-CZ 3.84Å; E591-F626 WeakPolarHBondContact OE1-CE2 3.24Å; E591-F626 VanDerWaalsContact OE1-CZ 3.22Å; E591-F626 WeakPolarHBondContact OE1-CZ 3.37Å; E591-F626 WeakPolarHBondContact OE2-CZ 3.31Å |
| 592 | N | 92.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | trans | -80.6 | 103.4 | -179.4 | -169.1 | -50.4 | 0 | 0 | 0 | 111.6 | V559 Y589 N594 L595 L596 | V559-N592 WeakPolarHBondContact CG2-ND2 3.42Å; Y589-N592 PolarHBondContact O-N 3.37Å; N592-N594 VanDerWaalsContact C-N 3.3Å; N592-N594 PolarHBondContact O-N 2.97Å; N592-N594 WeakPolarHBondContact OD1-CB 3.35Å; N592-N594 PolarHBondContact OD1-N 3.05Å; N592-L595 HydrophobicContact CB-CB 4.27Å; N592-L595 HydrophobicContact CB-CD1 4.01Å; N592-L595 HydrophobicContact CB-CG 4.08Å; N592-L595 PolarHBondContact O-N 2.83Å; N592-L595 PolarHBondContact OD1-N 3.25Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å; N592-L596 PolarHBondContact O-N 3.4Å; N592-L596 VanDerWaalsContact O-N 3.09Å | ||
| 593 | F | 92.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -31.8 | -179.5 | -70.3 | -82.6 | 0 | 0 | 0 | 114.2 | E591 L596 Y597 M619 I622 W623 T705 I709 | E591-F593 PolarHBondContact O-N 3.29Å; F593-L596 PolarHBondContact O-N 3.45Å; F593-Y597 HydrophobicContact CB-CE2 4.06Å; F593-Y597 WeakPolarHBondContact O-CD2 3.21Å; F593-Y597 PolarHBondContact O-N 3.41Å; F593-M619 HydrophobicContact CD1-CE 3.76Å; F593-M619 HydrophobicContact CE1-CB 4.39Å; F593-I622 HydrophobicContact CE1-CG2 4.43Å; F593-I622 HydrophobicContact CE2-CG2 4.32Å; F593-I622 HydrophobicContact CZ-CB 4.43Å; F593-I622 HydrophobicContact CZ-CG2 3.79Å; F593-W623 HydrophobicContact CE1-CB 4.34Å; F593-W623 HydrophobicContact CZ-CB 4.1Å; F593-T705 HydrophobicContact CB-CG2 4.11Å; F593-T705 HydrophobicContact CD1-CG2 3.54Å; F593-T705 HydrophobicContact CD2-CG2 3.79Å; F593-T705 HydrophobicContact CE1-CG2 3.85Å; F593-T705 HydrophobicContact CE2-CG2 4.06Å; F593-T705 HydrophobicContact CG-CG2 3.52Å; F593-T705 HydrophobicContact CZ-CG2 4.09Å; F593-I709 HydrophobicContact CD1-CD1 4.08Å; F593-I709 HydrophobicContact CD1-CG1 4.45Å; F593-I709 HydrophobicContact CE1-CD1 3.68Å |
| 594 | N | 93.4 | Very high | 95 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.7 | -38.5 | 178.3 | -73.2 | -25.9 | 0 | 0 | 0 | 112.2 | N592 T598 | N592-N594 VanDerWaalsContact C-N 3.3Å; N592-N594 PolarHBondContact O-N 2.97Å; N592-N594 WeakPolarHBondContact OD1-CB 3.35Å; N592-N594 PolarHBondContact OD1-N 3.05Å; N594-T598 PolarHBondContact O-N 3.01Å; N594-T598 PolarHBondContact O-OG1 3.16Å |
| 595 | L | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 172.1 | -67 | -176.5 | 0 | 0 | 0 | 110.8 | V559 H563 I582 A585 L586 N592 Y597 T598 K599 | V559-L595 HydrophobicContact CG2-CD1 3.84Å; V559-L595 HydrophobicContact CG2-CG 4.32Å; H563-L595 HydrophobicContact CB-CD2 3.67Å; I582-L595 HydrophobicContact CD1-CD2 3.83Å; A585-L595 HydrophobicContact CB-CD1 3.7Å; A585-L595 HydrophobicContact CB-CD2 4.38Å; L586-L595 HydrophobicContact CD2-CB 3.65Å; L586-L595 HydrophobicContact CD2-CD1 4.13Å; L586-L595 HydrophobicContact CG-CB 4.06Å; L586-L595 HydrophobicContact CG-CD1 4.35Å; N592-L595 HydrophobicContact CB-CB 4.27Å; N592-L595 HydrophobicContact CB-CD1 4.01Å; N592-L595 HydrophobicContact CB-CG 4.08Å; N592-L595 PolarHBondContact O-N 2.83Å; N592-L595 PolarHBondContact OD1-N 3.25Å; L595-Y597 PolarHBondContact O-N 2.73Å; L595-T598 CarbonylContact O-C 3.56Å; L595-T598 WeakPolarHBondContact O-CB 3.39Å; L595-T598 PolarHBondContact O-N 3.35Å; L595-T598 VanDerWaalsContact O-N 3.12Å; L595-K599 PolarHBondContact O-N 3.39Å |
| 596 | L | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -40 | 178.1 | -67.7 | 167.2 | 0 | 0 | 0 | 112.3 | L586 N592 F593 T598 K599 V600 T615 M619 I622 | L586-L596 HydrophobicContact CD1-CD2 3.81Å; L586-L596 HydrophobicContact CD2-CD2 3.73Å; L586-L596 HydrophobicContact CD2-CG 3.8Å; L586-L596 HydrophobicContact CG-CD2 4.44Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å; N592-L596 PolarHBondContact O-N 3.4Å; N592-L596 VanDerWaalsContact O-N 3.09Å; F593-L596 PolarHBondContact O-N 3.45Å; L596-T598 VanDerWaalsContact C-N 3.27Å; L596-T598 PolarHBondContact O-N 2.7Å; L596-K599 WeakPolarHBondContact O-CB 3.48Å; L596-K599 PolarHBondContact O-N 3.02Å; L596-V600 WeakPolarHBondContact O-CG2 3.42Å; L596-V600 PolarHBondContact O-N 3.29Å; L596-T615 HydrophobicContact CD2-CG2 4.26Å; L596-M619 HydrophobicContact CB-CE 3.43Å; L596-M619 VanDerWaalsContact CB-CE 3.43Å; L596-M619 HydrophobicContact CB-CG 3.82Å; L596-M619 HydrophobicContact CB-SD 3.76Å; L596-M619 HydrophobicContact CD1-CE 4.44Å; L596-M619 HydrophobicContact CD1-CG 3.91Å; L596-M619 HydrophobicContact CG-CG 4.29Å; L596-I622 HydrophobicContact CD1-CD1 3.67Å |
| 597 | Y | 95.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 172.8 | -63.3 | -38.2 | 0 | 0 | 0 | 111.7 | F593 L595 K601 M619 T705 Q708 I709 H712 | F593-Y597 HydrophobicContact CB-CE2 4.06Å; F593-Y597 WeakPolarHBondContact O-CD2 3.21Å; F593-Y597 PolarHBondContact O-N 3.41Å; L595-Y597 PolarHBondContact O-N 2.73Å; Y597-K601 WeakPolarHBondContact O-CG 3.49Å; Y597-K601 PolarHBondContact O-N 3.4Å; Y597-M619 HydrophobicContact CD1-CE 3.22Å; Y597-M619 HydrophobicContact CD1-SD 4.25Å; Y597-M619 HydrophobicContact CE1-CE 3.19Å; Y597-M619 HydrophobicContact CE1-SD 4.46Å; Y597-M619 HydrophobicContact CG-CE 4.14Å; Y597-T705 WeakPolarHBondContact OH-CG2 3.49Å; Y597-T705 PolarHBondContact OH-O 3.41Å; Y597-Q708 HydrophobicContact CE1-CB 4.19Å; Y597-Q708 VanDerWaalsContact OH-CB 3.25Å; Y597-Q708 WeakPolarHBondContact OH-CB 3.49Å; Y597-Q708 PolarHBondContact OH-OE1 3.18Å; Y597-I709 HydrophobicContact CE1-CG1 4.15Å; Y597-H712 AromaticContact CD1-CD2 3.18Å; Y597-H712 WeakPolarHBondContact CD1-CD2 3.48Å; Y597-H712 AromaticContact CD1-NE2 3.42Å; Y597-H712 WeakPolarHBondContact CD1-NE2 3.46Å; Y597-H712 AromaticContact CE1-CD2 3.5Å; Y597-H712 VanDerWaalsContact CE1-CD2 3.5Å; Y597-H712 WeakPolarHBondContact CE1-CD2 3.48Å; Y597-H712 AromaticContact CE1-NE2 3.93Å; Y597-H712 AromaticContact CG-CD2 3.92Å; Y597-H712 AromaticContact CG-NE2 3.64Å |
| 598 | T | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.1 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | H563 L567 I582 N594 L595 L596 K601 L602 I844 L845 | H563-T598 PolarHBondContact CE1-OG1 3.38Å; H563-T598 PolarHBondContact NE2-OG1 2.86Å; L567-T598 HydrophobicContact CD2-CG2 3.87Å; I582-T598 HydrophobicContact CD1-CG2 4.03Å; I582-T598 HydrophobicContact CG1-CG2 4.29Å; N594-T598 PolarHBondContact O-N 3.01Å; N594-T598 PolarHBondContact O-OG1 3.16Å; L595-T598 CarbonylContact O-C 3.56Å; L595-T598 WeakPolarHBondContact O-CB 3.39Å; L595-T598 PolarHBondContact O-N 3.35Å; L595-T598 VanDerWaalsContact O-N 3.12Å; L596-T598 VanDerWaalsContact C-N 3.27Å; L596-T598 PolarHBondContact O-N 2.7Å; T598-K601 PolarHBondContact O-N 3.1Å; T598-L602 HydrophobicContact CG2-CD1 4.09Å; T598-L602 WeakPolarHBondContact O-CG 3.49Å; T598-L602 PolarHBondContact O-N 3.12Å; T598-I844 HydrophobicContact CG2-CG2 4.19Å; T598-L845 HydrophobicContact CG2-CD1 4.46Å |
| 599 | K | 97.7 | Very high | 94.1 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 17% | 0.17 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -52.3 | 174 | -175.9 | 169.4 | 170.5 | 170 | 0 | 111.7 | L579 I582 L586 L595 L596 K601 L602 E603 T615 | L579-K599 HydrophobicContact CD1-CG 4.05Å; I582-K599 HydrophobicContact CG2-CB 3.71Å; I582-K599 HydrophobicContact CG2-CG 4.3Å; L586-K599 HydrophobicContact CD1-CB 4.25Å; L586-K599 HydrophobicContact CD1-CD 3.49Å; L586-K599 VanDerWaalsContact CD1-CD 3.49Å; L586-K599 HydrophobicContact CD1-CG 4.44Å; L595-K599 PolarHBondContact O-N 3.39Å; L596-K599 WeakPolarHBondContact O-CB 3.48Å; L596-K599 PolarHBondContact O-N 3.02Å; K599-K601 PolarHBondContact O-N 2.88Å; K599-L602 PolarHBondContact O-N 3.19Å; K599-L602 VanDerWaalsContact O-N 3.08Å; K599-E603 WeakPolarHBondContact CE-OE1 3.44Å; K599-E603 HydrophobicContact CG-CG 4.16Å; K599-E603 IonicContact NZ-OE1 3.3Å; K599-E603 WeakPolarHBondContact O-CB 3.28Å; K599-E603 WeakPolarHBondContact O-CG 3.28Å; K599-E603 PolarHBondContact O-N 3.06Å; K599-T615 HydrophobicContact CB-CG2 4.43Å; K599-T615 HydrophobicContact CD-CG2 4.12Å; K599-T615 HydrophobicContact CG-CG2 4.19Å |
| 600 | V | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.4 | -42.8 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L596 A604 A612 T615 M619 V716 | L596-V600 WeakPolarHBondContact O-CG2 3.42Å; L596-V600 PolarHBondContact O-N 3.29Å; V600-A604 WeakPolarHBondContact O-CB 3.44Å; V600-A604 PolarHBondContact O-N 3.2Å; V600-A612 HydrophobicContact CG1-CB 4.16Å; V600-A612 WeakPolarHBondContact O-CB 3.41Å; V600-T615 HydrophobicContact CG2-CG2 3.57Å; V600-M619 HydrophobicContact CG2-SD 3.9Å; V600-V716 HydrophobicContact CG1-CG2 4.15Å |
| 601 | K | 95.7 | Very high | 94 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | 179.3 | -70.1 | -66.5 | -173 | -179.1 | 0 | 114 | Y597 T598 K599 M605 E715 I844 L845 | Y597-K601 WeakPolarHBondContact O-CG 3.49Å; Y597-K601 PolarHBondContact O-N 3.4Å; T598-K601 PolarHBondContact O-N 3.1Å; K599-K601 PolarHBondContact O-N 2.88Å; K601-M605 WeakPolarHBondContact O-CG 3.12Å; K601-M605 PolarHBondContact O-N 3.05Å; K601-E715 WeakPolarHBondContact CE-OE2 3.45Å; K601-E715 IonicContact NZ-OE1 3.53Å; K601-E715 PolarHBondContact NZ-OE1 2.88Å; K601-E715 IonicContact NZ-OE2 3.65Å; K601-E715 PolarHBondContact NZ-OE2 3.19Å; K601-I844 HydrophobicContact CB-CG1 3.71Å; K601-L845 HydrophobicContact CB-CG 4.44Å; K601-L845 HydrophobicContact CD-CD2 4.47Å; K601-L845 HydrophobicContact CG-CD1 4.14Å; K601-L845 HydrophobicContact CG-CD2 3.92Å; K601-L845 HydrophobicContact CG-CG 4.01Å |
| 602 | L | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 176.7 | -72.3 | 169.3 | 0 | 0 | 0 | 111.2 | Y575 A578 L579 I582 T598 K599 A604 M605 C606 I844 | Y575-L602 HydrophobicContact CD1-CD2 3.94Å; A578-L602 HydrophobicContact CB-CD1 4.01Å; A578-L602 HydrophobicContact CB-CD2 4.02Å; L579-L602 HydrophobicContact CB-CB 4.46Å; L579-L602 HydrophobicContact CD1-CB 4.15Å; I582-L602 HydrophobicContact CG1-CD1 3.88Å; T598-L602 HydrophobicContact CG2-CD1 4.09Å; T598-L602 WeakPolarHBondContact O-CG 3.49Å; T598-L602 PolarHBondContact O-N 3.12Å; K599-L602 PolarHBondContact O-N 3.19Å; K599-L602 VanDerWaalsContact O-N 3.08Å; L602-A604 VanDerWaalsContact C-N 3.35Å; L602-A604 PolarHBondContact O-N 3.31Å; L602-M605 PolarHBondContact O-N 3.08Å; L602-C606 PolarHBondContact O-N 3.08Å; L602-C606 PolarHBondContact O-SG 3.47Å; L602-I844 HydrophobicContact CD2-CB 4.21Å; L602-I844 HydrophobicContact CD2-CG1 4.29Å; L602-I844 HydrophobicContact CD2-CG2 3.92Å; L602-I844 HydrophobicContact CG-CG2 4.15Å |
| 603 | E | 96.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 177 | -73.1 | 174.8 | 152.7 | 0 | 0 | 111.6 | L579 K599 M605 C606 R607 G608 E611 A612 T615 | L579-E603 HydrophobicContact CD1-CG 4.05Å; L579-E603 HydrophobicContact CD2-CG 4.36Å; K599-E603 WeakPolarHBondContact CE-OE1 3.44Å; K599-E603 HydrophobicContact CG-CG 4.16Å; K599-E603 IonicContact NZ-OE1 3.3Å; K599-E603 WeakPolarHBondContact O-CB 3.28Å; K599-E603 WeakPolarHBondContact O-CG 3.28Å; K599-E603 PolarHBondContact O-N 3.06Å; E603-M605 PolarHBondContact O-N 3.25Å; E603-M605 VanDerWaalsContact O-N 3.15Å; E603-C606 PolarHBondContact O-N 3.34Å; E603-R607 WeakPolarHBondContact O-CA 3.49Å; E603-R607 PolarHBondContact O-N 2.94Å; E603-G608 PolarHBondContact O-N 2.65Å; E603-E611 HydrophobicContact CB-CB 4.41Å; E603-A612 HydrophobicContact CB-CB 4.13Å; E603-T615 VanDerWaalsContact CD-OG1 3.28Å; E603-T615 PolarHBondContact OE1-OG1 3.47Å; E603-T615 WeakPolarHBondContact OE2-CB 3.34Å; E603-T615 PolarHBondContact OE2-OG1 3.42Å |
| 604 | A | 94 | Very high | 94 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.8 | -27.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V600 L602 A612 | V600-A604 WeakPolarHBondContact O-CB 3.44Å; V600-A604 PolarHBondContact O-N 3.2Å; L602-A604 VanDerWaalsContact C-N 3.35Å; L602-A604 PolarHBondContact O-N 3.31Å; A604-A612 HydrophobicContact CB-CB 4.06Å |
| 605 | M | 92.8 | Very high | 94 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 56% | 0.557 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -88.5 | -37.8 | 178.6 | -67 | -60.7 | 97.6 | 0 | 0 | 114.1 | K601 L602 E603 I844 | K601-M605 WeakPolarHBondContact O-CG 3.12Å; K601-M605 PolarHBondContact O-N 3.05Å; L602-M605 PolarHBondContact O-N 3.08Å; E603-M605 PolarHBondContact O-N 3.25Å; E603-M605 VanDerWaalsContact O-N 3.15Å; M605-I844 HydrophobicContact CG-CD1 3.44Å; M605-I844 VanDerWaalsContact CG-CD1 3.44Å; M605-I844 HydrophobicContact SD-CD1 4.34Å |
| 606 | C | 92.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -117.4 | -14 | -168.7 | 73.3 | 0 | 0 | 0 | 0 | 115.8 | L602 E603 | L602-C606 PolarHBondContact O-N 3.08Å; L602-C606 PolarHBondContact O-SG 3.47Å; E603-C606 PolarHBondContact O-N 3.34Å |
| 607 | R | 92.4 | Very high | 93.3 | Very high | 146 Ų | 146 | 42 Ų | 42 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | -50.3 | 178 | -66.7 | -69.6 | -172.1 | 167.8 | 1 | 111.6 | L579 E603 E611 | L579-R607 HydrophobicContact CD2-CG 4.07Å; E603-R607 WeakPolarHBondContact O-CA 3.49Å; E603-R607 PolarHBondContact O-N 2.94Å; R607-E611 HydrophobicContact CB-CB 4.11Å; R607-E611 HydrophobicContact CB-CG 4.01Å |
| 608 | G | 91.7 | Very high | 93 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | trans | 144.5 | 166.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E603 E610 E611 | E603-G608 PolarHBondContact O-N 2.65Å; G608-E610 VanDerWaalsContact C-N 3.33Å; G608-E611 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 609 | P | 91.6 | Very high | 92.7 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.4 | -26.3 | 179.2 | 29 | -34.8 | 0 | 0 | 0 | 113.2 | A612 L613 V716 M720 | P609-A612 PolarHBondContact O-N 3.35Å; P609-L613 WeakPolarHBondContact O-CG 3.45Å; P609-L613 PolarHBondContact O-N 2.79Å; P609-V716 HydrophobicContact CB-CG1 3.58Å; P609-V716 WeakPolarHBondContact O-CG1 3.48Å; P609-M720 HydrophobicContact CB-CE 4.4Å; P609-M720 HydrophobicContact CB-CG 3.52Å; P609-M720 HydrophobicContact CB-SD 3.76Å; P609-M720 HydrophobicContact CG-CE 4.12Å; P609-M720 HydrophobicContact CG-CG 3.73Å; P609-M720 HydrophobicContact CG-SD 4.11Å |
| 610 | E | 89.8 | Confident | 92.2 | Very high | 107 Ų | 107 | 44.2 Ų | 44.2 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.5 | -44.3 | -179.2 | -62.5 | -64.3 | 164.5 | 0 | 0 | 111.3 | G608 A612 L613 L614 M720 | G608-E610 VanDerWaalsContact C-N 3.33Å; E610-A612 VanDerWaalsContact C-N 3.34Å; E610-A612 PolarHBondContact O-N 3.34Å; E610-L613 PolarHBondContact O-N 3.36Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.75Å; E610-M720 WeakPolarHBondContact OE1-CE 3.44Å |
| 611 | E | 92.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.3 | -68.8 | 81.8 | 177.9 | 0 | 0 | 111.8 | E603 R607 G608 L613 L614 T615 | E603-E611 HydrophobicContact CB-CB 4.41Å; R607-E611 HydrophobicContact CB-CB 4.11Å; R607-E611 HydrophobicContact CB-CG 4.01Å; G608-E611 WeakPolarHBondContact CA-OE2 3.31Å; E611-L613 VanDerWaalsContact C-N 3.31Å; E611-L613 PolarHBondContact O-N 3Å; E611-L614 WeakPolarHBondContact O-CB 3.44Å; E611-L614 PolarHBondContact O-N 3.21Å; E611-L614 VanDerWaalsContact O-N 3.15Å; E611-T615 PolarHBondContact O-N 3.13Å |
| 612 | A | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V600 E603 A604 P609 E610 T615 C616 V716 | V600-A612 HydrophobicContact CG1-CB 4.16Å; V600-A612 WeakPolarHBondContact O-CB 3.41Å; E603-A612 HydrophobicContact CB-CB 4.13Å; A604-A612 HydrophobicContact CB-CB 4.06Å; P609-A612 PolarHBondContact O-N 3.35Å; E610-A612 VanDerWaalsContact C-N 3.34Å; E610-A612 PolarHBondContact O-N 3.34Å; A612-T615 PolarHBondContact O-N 3.32Å; A612-C616 PolarHBondContact O-N 3.24Å; A612-C616 PolarHBondContact O-SG 3.26Å; A612-V716 HydrophobicContact CB-CG1 4.36Å; A612-V716 HydrophobicContact CB-CG2 4.06Å |
| 613 | L | 90.5 | Very high | 90.8 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -35.7 | 174.8 | -72.1 | 173 | 0 | 0 | 0 | 112.5 | P609 E610 E611 T615 C616 K617 L657 A713 V716 Y717 M720 | P609-L613 WeakPolarHBondContact O-CG 3.45Å; P609-L613 PolarHBondContact O-N 2.79Å; E610-L613 PolarHBondContact O-N 3.36Å; E611-L613 VanDerWaalsContact C-N 3.31Å; E611-L613 PolarHBondContact O-N 3Å; L613-T615 VanDerWaalsContact C-N 3.32Å; L613-C616 WeakPolarHBondContact O-CB 3.46Å; L613-C616 PolarHBondContact O-N 2.92Å; L613-K617 PolarHBondContact O-N 3.01Å; L613-L657 WeakPolarHBondContact O-CD1 3.35Å; L613-A713 HydrophobicContact CD2-CB 4.29Å; L613-V716 HydrophobicContact CD1-CG1 4.34Å; L613-V716 HydrophobicContact CD2-CB 4.05Å; L613-V716 HydrophobicContact CD2-CG1 4.05Å; L613-V716 HydrophobicContact CG-CB 4.36Å; L613-V716 HydrophobicContact CG-CG1 3.8Å; L613-Y717 HydrophobicContact CD1-CD1 4.2Å; L613-Y717 HydrophobicContact CD1-CE1 3.59Å; L613-Y717 HydrophobicContact CD1-CE2 4.44Å; L613-Y717 HydrophobicContact CD2-CD2 4.17Å; L613-Y717 HydrophobicContact CD2-CE1 4.36Å; L613-Y717 HydrophobicContact CD2-CE2 3.75Å; L613-M720 HydrophobicContact CD1-SD 3.89Å |
| 614 | L | 90.9 | Very high | 90 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 60% | 0.602 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.2 | -42.1 | 171.8 | -70.9 | 173.9 | 0 | 0 | 0 | 111.2 | E610 E611 K617 H618 | E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.75Å; E611-L614 WeakPolarHBondContact O-CB 3.44Å; E611-L614 PolarHBondContact O-N 3.21Å; E611-L614 VanDerWaalsContact O-N 3.15Å; L614-K617 WeakPolarHBondContact O-CB 3.4Å; L614-K617 PolarHBondContact O-N 3.08Å; L614-H618 PolarHBondContact O-N 2.85Å |
| 615 | T | 93 | Very high | 89.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.3 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | L596 K599 V600 E603 E611 A612 L613 K617 H618 M619 | L596-T615 HydrophobicContact CD2-CG2 4.26Å; K599-T615 HydrophobicContact CB-CG2 4.43Å; K599-T615 HydrophobicContact CD-CG2 4.12Å; K599-T615 HydrophobicContact CG-CG2 4.19Å; V600-T615 HydrophobicContact CG2-CG2 3.57Å; E603-T615 VanDerWaalsContact CD-OG1 3.28Å; E603-T615 PolarHBondContact OE1-OG1 3.47Å; E603-T615 WeakPolarHBondContact OE2-CB 3.34Å; E603-T615 PolarHBondContact OE2-OG1 3.42Å; E611-T615 PolarHBondContact O-N 3.13Å; A612-T615 PolarHBondContact O-N 3.32Å; L613-T615 VanDerWaalsContact C-N 3.32Å; T615-K617 VanDerWaalsContact C-N 3.3Å; T615-K617 PolarHBondContact O-N 3.19Å; T615-H618 CarbonylContact O-C 3.49Å; T615-H618 WeakPolarHBondContact O-CA 3.28Å; T615-H618 WeakPolarHBondContact O-CB 3.32Å; T615-H618 PolarHBondContact O-N 2.93Å; T615-M619 HydrophobicContact CG2-CG 4.5Å; T615-M619 VanDerWaalsContact O-CG 3.27Å; T615-M619 WeakPolarHBondContact O-CG 3.17Å; T615-M619 PolarHBondContact O-N 2.84Å |
| 616 | C | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 172.8 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | A612 L613 H618 M619 L620 A713 | A612-C616 PolarHBondContact O-N 3.24Å; A612-C616 PolarHBondContact O-SG 3.26Å; L613-C616 WeakPolarHBondContact O-CB 3.46Å; L613-C616 PolarHBondContact O-N 2.92Å; C616-H618 VanDerWaalsContact C-N 3.32Å; C616-H618 PolarHBondContact O-N 2.83Å; C616-M619 WeakPolarHBondContact O-CB 3.29Å; C616-M619 PolarHBondContact O-N 3.27Å; C616-L620 WeakPolarHBondContact O-CG 3.19Å; C616-L620 PolarHBondContact O-N 3.11Å; C616-A713 HydrophobicContact CB-CB 4.19Å |
| 617 | K | 87.6 | Confident | 87.2 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.6 | -167.7 | 176 | -179.6 | 172.1 | 0 | 111.2 | L613 L614 T615 L620 Q621 L657 | L613-K617 PolarHBondContact O-N 3.01Å; L614-K617 WeakPolarHBondContact O-CB 3.4Å; L614-K617 PolarHBondContact O-N 3.08Å; T615-K617 VanDerWaalsContact C-N 3.3Å; T615-K617 PolarHBondContact O-N 3.19Å; K617-L620 PolarHBondContact O-N 3.47Å; K617-Q621 WeakPolarHBondContact O-CG 3.45Å; K617-Q621 PolarHBondContact O-N 3.44Å; K617-Q621 VanDerWaalsContact O-N 3.09Å; K617-L657 HydrophobicContact CB-CD1 3.83Å; K617-L657 HydrophobicContact CG-CD1 4.47Å |
| 618 | H | 90.9 | Very high | 85.2 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 39% | 0.394 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64 | -42 | 175.6 | -176.5 | 54.3 | 0 | 0 | 0 | 112 | L614 T615 C616 L620 Q621 I622 | L614-H618 PolarHBondContact O-N 2.85Å; T615-H618 CarbonylContact O-C 3.49Å; T615-H618 WeakPolarHBondContact O-CA 3.28Å; T615-H618 WeakPolarHBondContact O-CB 3.32Å; T615-H618 PolarHBondContact O-N 2.93Å; C616-H618 VanDerWaalsContact C-N 3.32Å; C616-H618 PolarHBondContact O-N 2.83Å; H618-L620 VanDerWaalsContact C-N 3.3Å; H618-L620 PolarHBondContact O-N 3.35Å; H618-Q621 WeakPolarHBondContact O-CA 3.48Å; H618-Q621 WeakPolarHBondContact O-CB 3.24Å; H618-Q621 PolarHBondContact O-N 3.47Å; H618-I622 WeakPolarHBondContact NE2-CD1 3.37Å; H618-I622 WeakPolarHBondContact O-CG1 3.29Å; H618-I622 PolarHBondContact O-N 3.02Å |
| 619 | M | 90.6 | Very high | 83 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.4 | -63 | 176.3 | 81.9 | 0 | 0 | 112.1 | F593 L596 Y597 V600 T615 C616 Q621 I622 W623 I709 | F593-M619 HydrophobicContact CD1-CE 3.76Å; F593-M619 HydrophobicContact CE1-CB 4.39Å; L596-M619 HydrophobicContact CB-CE 3.43Å; L596-M619 VanDerWaalsContact CB-CE 3.43Å; L596-M619 HydrophobicContact CB-CG 3.82Å; L596-M619 HydrophobicContact CB-SD 3.76Å; L596-M619 HydrophobicContact CD1-CE 4.44Å; L596-M619 HydrophobicContact CD1-CG 3.91Å; L596-M619 HydrophobicContact CG-CG 4.29Å; Y597-M619 HydrophobicContact CD1-CE 3.22Å; Y597-M619 HydrophobicContact CD1-SD 4.25Å; Y597-M619 HydrophobicContact CE1-CE 3.19Å; Y597-M619 HydrophobicContact CE1-SD 4.46Å; Y597-M619 HydrophobicContact CG-CE 4.14Å; V600-M619 HydrophobicContact CG2-SD 3.9Å; T615-M619 HydrophobicContact CG2-CG 4.5Å; T615-M619 VanDerWaalsContact O-CG 3.27Å; T615-M619 WeakPolarHBondContact O-CG 3.17Å; T615-M619 PolarHBondContact O-N 2.84Å; C616-M619 WeakPolarHBondContact O-CB 3.29Å; C616-M619 PolarHBondContact O-N 3.27Å; M619-Q621 VanDerWaalsContact C-N 3.32Å; M619-Q621 PolarHBondContact O-N 3.19Å; M619-I622 PolarHBondContact O-N 2.96Å; M619-W623 WeakPolarHBondContact O-CB 2.99Å; M619-W623 PolarHBondContact O-N 3.36Å; M619-I709 HydrophobicContact CB-CD1 3.97Å; M619-I709 HydrophobicContact CB-CG1 4.04Å; M619-I709 HydrophobicContact CB-CG2 3.99Å; M619-I709 HydrophobicContact CE-CG1 4.07Å |
| 620 | L | 86.5 | Confident | 80.1 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 173.5 | -68.5 | 175 | 0 | 0 | 0 | 112 | C616 K617 H618 K624 L657 L706 I709 W710 | C616-L620 WeakPolarHBondContact O-CG 3.19Å; C616-L620 PolarHBondContact O-N 3.11Å; K617-L620 PolarHBondContact O-N 3.47Å; H618-L620 VanDerWaalsContact C-N 3.3Å; H618-L620 PolarHBondContact O-N 3.35Å; L620-K624 WeakPolarHBondContact O-CB 3.45Å; L620-K624 VanDerWaalsContact O-CG 3.22Å; L620-K624 WeakPolarHBondContact O-CG 3.27Å; L620-K624 PolarHBondContact O-N 2.76Å; L620-L657 HydrophobicContact CD1-CD2 4.37Å; L620-L657 HydrophobicContact CD1-CG 4.31Å; L620-L706 HydrophobicContact CD2-CD1 3.45Å; L620-L706 VanDerWaalsContact CD2-CD1 3.45Å; L620-I709 HydrophobicContact CD2-CB 4.25Å; L620-I709 HydrophobicContact CD2-CD1 4.47Å; L620-I709 HydrophobicContact CD2-CG2 3.62Å; L620-I709 HydrophobicContact CG-CG2 3.75Å; L620-W710 HydrophobicContact CD1-CH2 3.98Å; L620-W710 HydrophobicContact CD1-CZ2 4.06Å; L620-W710 HydrophobicContact CD1-CZ3 4.36Å; L620-W710 HydrophobicContact CD2-CZ2 4.22Å |
| 621 | Q | 86.4 | Confident | 77.3 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 175.7 | -69.1 | 167.9 | -12.7 | 0 | 0 | 111.7 | K617 H618 M619 K624 S625 | K617-Q621 WeakPolarHBondContact O-CG 3.45Å; K617-Q621 PolarHBondContact O-N 3.44Å; K617-Q621 VanDerWaalsContact O-N 3.09Å; H618-Q621 WeakPolarHBondContact O-CA 3.48Å; H618-Q621 WeakPolarHBondContact O-CB 3.24Å; H618-Q621 PolarHBondContact O-N 3.47Å; M619-Q621 VanDerWaalsContact C-N 3.32Å; M619-Q621 PolarHBondContact O-N 3.19Å; Q621-K624 WeakPolarHBondContact O-CB 3.47Å; Q621-K624 PolarHBondContact O-N 3.04Å; Q621-S625 PolarHBondContact O-N 2.9Å |
| 622 | I | 86.7 | Confident | 74.5 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 173.5 | -67.4 | 168.1 | 0 | 0 | 0 | 109.4 | P590 E591 F593 L596 H618 M619 K624 S625 F626 | P590-I622 WeakPolarHBondContact O-CD1 3.34Å; E591-I622 HydrophobicContact CB-CG2 4.37Å; E591-I622 HydrophobicContact CG-CG2 4.42Å; F593-I622 HydrophobicContact CE1-CG2 4.43Å; F593-I622 HydrophobicContact CE2-CG2 4.32Å; F593-I622 HydrophobicContact CZ-CB 4.43Å; F593-I622 HydrophobicContact CZ-CG2 3.79Å; L596-I622 HydrophobicContact CD1-CD1 3.67Å; H618-I622 WeakPolarHBondContact NE2-CD1 3.37Å; H618-I622 WeakPolarHBondContact O-CG1 3.29Å; H618-I622 PolarHBondContact O-N 3.02Å; M619-I622 PolarHBondContact O-N 2.96Å; I622-K624 VanDerWaalsContact C-N 3.26Å; I622-K624 PolarHBondContact O-N 3.47Å; I622-S625 PolarHBondContact O-N 3.2Å; I622-S625 PolarHBondContact O-OG 2.89Å; I622-F626 HydrophobicContact CG2-CD2 3.62Å; I622-F626 HydrophobicContact CG2-CE2 3.75Å; I622-F626 VanDerWaalsContact O-CD2 3.26Å; I622-F626 WeakPolarHBondContact O-CD2 3.27Å; I622-F626 PolarHBondContact O-N 3.12Å |
| 623 | W | 85.9 | Confident | 71.8 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 178.5 | -172.7 | 94.1 | 0 | 0 | 0 | 111.6 | F593 M619 F626 Y627 M655 P702 W703 L706 I709 | F593-W623 HydrophobicContact CE1-CB 4.34Å; F593-W623 HydrophobicContact CZ-CB 4.1Å; M619-W623 WeakPolarHBondContact O-CB 2.99Å; M619-W623 PolarHBondContact O-N 3.36Å; W623-F626 PolarHBondContact O-N 3.17Å; W623-Y627 AromaticContact CD1-CD2 3.43Å; W623-Y627 VanDerWaalsContact CD1-CD2 3.43Å; W623-Y627 AromaticContact CD1-CE2 3.48Å; W623-Y627 VanDerWaalsContact CD1-CE2 3.48Å; W623-Y627 AromaticContact CD2-CD2 3.72Å; W623-Y627 HydrophobicContact CD2-CD2 3.72Å; W623-Y627 AromaticContact CE2-CD2 3.44Å; W623-Y627 VanDerWaalsContact CE2-CD2 3.44Å; W623-Y627 AromaticContact CG-CD2 3.69Å; W623-Y627 HydrophobicContact CG-CD2 3.69Å; W623-Y627 HydrophobicContact CG-CE2 4.11Å; W623-Y627 HydrophobicContact CZ2-CD2 4.09Å; W623-Y627 HydrophobicContact CZ2-CG 4.31Å; W623-Y627 AromaticContact NE1-CD2 3.26Å; W623-Y627 VanDerWaalsContact NE1-CD2 3.26Å; W623-Y627 AromaticContact NE1-CE2 3.51Å; W623-Y627 WeakPolarHBondContact O-CD2 3.43Å; W623-Y627 PolarHBondContact O-N 2.92Å; W623-M655 HydrophobicContact CZ3-SD 4.25Å; W623-P702 PolarHBondContact NE1-O 3.45Å; W623-W703 HydrophobicContact CH2-CE3 4.21Å; W623-W703 HydrophobicContact CH2-CH2 4.29Å; W623-W703 AromaticContact CH2-CZ3 3.74Å; W623-W703 HydrophobicContact CH2-CZ3 3.74Å; W623-W703 AromaticContact CZ2-CE3 3.99Å; W623-W703 HydrophobicContact CZ2-CE3 3.99Å; W623-W703 HydrophobicContact CZ2-CZ3 4.01Å; W623-L706 HydrophobicContact CD2-CB 4.19Å; W623-L706 HydrophobicContact CD2-CD1 3.9Å; W623-L706 HydrophobicContact CD2-CD2 4.25Å; W623-L706 HydrophobicContact CD2-CG 4.33Å; W623-L706 HydrophobicContact CE3-CD1 4.07Å; W623-L706 HydrophobicContact CE3-CD2 4.16Å; W623-L706 HydrophobicContact CG-CB 4.48Å; W623-L706 HydrophobicContact CG-CD1 4.18Å; W623-L706 HydrophobicContact CH2-CD2 3.65Å; W623-L706 HydrophobicContact CZ2-CB 4Å; W623-L706 HydrophobicContact CZ2-CD2 3.71Å; W623-L706 HydrophobicContact CZ2-CG 4.35Å; W623-L706 HydrophobicContact CZ3-CD2 3.88Å; W623-I709 HydrophobicContact CB-CD1 4.11Å; W623-I709 HydrophobicContact CG-CD1 4.44Å |
| 624 | K | 80.3 | Confident | 68.8 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 173.5 | -72.1 | 171.7 | -167.3 | -174.6 | 0 | 111.8 | L620 Q621 I622 F626 Y627 N628 M655 | L620-K624 WeakPolarHBondContact O-CB 3.45Å; L620-K624 VanDerWaalsContact O-CG 3.22Å; L620-K624 WeakPolarHBondContact O-CG 3.27Å; L620-K624 PolarHBondContact O-N 2.76Å; Q621-K624 WeakPolarHBondContact O-CB 3.47Å; Q621-K624 PolarHBondContact O-N 3.04Å; I622-K624 VanDerWaalsContact C-N 3.26Å; I622-K624 PolarHBondContact O-N 3.47Å; K624-F626 PolarHBondContact O-N 3.27Å; K624-Y627 PolarHBondContact O-N 3.41Å; K624-N628 WeakPolarHBondContact O-CA 3.27Å; K624-N628 WeakPolarHBondContact O-CB 3.45Å; K624-N628 PolarHBondContact O-N 3.43Å; K624-N628 PolarHBondContact O-ND2 2.91Å; K624-N628 PolarHBondContact O-OD1 3.25Å; K624-M655 HydrophobicContact CD-CE 4.28Å; K624-M655 WeakPolarHBondContact CE-O 3.37Å; K624-M655 HydrophobicContact CG-CE 4.06Å; K624-M655 HydrophobicContact CG-SD 4.38Å; K624-M655 VanDerWaalsContact NZ-CB 3.34Å; K624-M655 PolarHBondContact NZ-O 3.48Å |
| 625 | S | 81.7 | Confident | 66 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | -179 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | Q621 I622 | Q621-S625 PolarHBondContact O-N 2.9Å; I622-S625 PolarHBondContact O-N 3.2Å; I622-S625 PolarHBondContact O-OG 2.89Å |
| 626 | F | 70 | Confident | 63 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.7 | -46.8 | 177.5 | -89.4 | -72.1 | 0 | 0 | 0 | 114.5 | E591 I622 W623 K624 | E591-F626 HydrophobicContact CB-CE2 3.71Å; E591-F626 HydrophobicContact CB-CZ 4Å; E591-F626 HydrophobicContact CG-CE2 3.54Å; E591-F626 HydrophobicContact CG-CZ 3.84Å; E591-F626 WeakPolarHBondContact OE1-CE2 3.24Å; E591-F626 VanDerWaalsContact OE1-CZ 3.22Å; E591-F626 WeakPolarHBondContact OE1-CZ 3.37Å; E591-F626 WeakPolarHBondContact OE2-CZ 3.31Å; I622-F626 HydrophobicContact CG2-CD2 3.62Å; I622-F626 HydrophobicContact CG2-CE2 3.75Å; I622-F626 VanDerWaalsContact O-CD2 3.26Å; I622-F626 WeakPolarHBondContact O-CD2 3.27Å; I622-F626 PolarHBondContact O-N 3.12Å; W623-F626 PolarHBondContact O-N 3.17Å; K624-F626 PolarHBondContact O-N 3.27Å |
| 627 | Y | 69.3 | Low | 60.3 | Low | 80 Ų | 80 | 87.8 Ų | 87.8 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -109.8 | 14.5 | -168.9 | -52.3 | -67 | 0 | 0 | 0 | 112.2 | W623 K624 L629 P702 | W623-Y627 AromaticContact CD1-CD2 3.43Å; W623-Y627 VanDerWaalsContact CD1-CD2 3.43Å; W623-Y627 AromaticContact CD1-CE2 3.48Å; W623-Y627 VanDerWaalsContact CD1-CE2 3.48Å; W623-Y627 AromaticContact CD2-CD2 3.72Å; W623-Y627 HydrophobicContact CD2-CD2 3.72Å; W623-Y627 AromaticContact CE2-CD2 3.44Å; W623-Y627 VanDerWaalsContact CE2-CD2 3.44Å; W623-Y627 AromaticContact CG-CD2 3.69Å; W623-Y627 HydrophobicContact CG-CD2 3.69Å; W623-Y627 HydrophobicContact CG-CE2 4.11Å; W623-Y627 HydrophobicContact CZ2-CD2 4.09Å; W623-Y627 HydrophobicContact CZ2-CG 4.31Å; W623-Y627 AromaticContact NE1-CD2 3.26Å; W623-Y627 VanDerWaalsContact NE1-CD2 3.26Å; W623-Y627 AromaticContact NE1-CE2 3.51Å; W623-Y627 WeakPolarHBondContact O-CD2 3.43Å; W623-Y627 PolarHBondContact O-N 2.92Å; K624-Y627 PolarHBondContact O-N 3.41Å; Y627-L629 VanDerWaalsContact C-N 3.28Å; Y627-L629 PolarHBondContact O-N 2.89Å; Y627-P702 HydrophobicContact CD1-CB 3.76Å; Y627-P702 HydrophobicContact CD1-CG 3.79Å; Y627-P702 HydrophobicContact CD2-CB 4.06Å; Y627-P702 HydrophobicContact CE1-CB 3.54Å; Y627-P702 HydrophobicContact CE1-CG 3.22Å; Y627-P702 HydrophobicContact CE2-CB 3.86Å; Y627-P702 HydrophobicContact CE2-CG 4.32Å; Y627-P702 HydrophobicContact CG-CB 4.02Å |
| 628 | N | 49.4 | Very low | 57.5 | Low | 92 Ų | 92 | 87.5 Ų | 87.5 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | trans | -55.5 | 97.7 | 165.7 | -90.2 | -18.4 | 0 | 0 | 0 | 107.3 | K624 T630 | K624-N628 WeakPolarHBondContact O-CA 3.27Å; K624-N628 WeakPolarHBondContact O-CB 3.45Å; K624-N628 PolarHBondContact O-N 3.43Å; K624-N628 PolarHBondContact O-ND2 2.91Å; K624-N628 PolarHBondContact O-OD1 3.25Å; N628-T630 PolarHBondContact O-N 3.19Å | ||
| 629 | L | 46 | Very low | 54.6 | Low | 130 Ų | 130 | 89.2 Ų | 89.2 | 68% | 0.681 | 52% | 0.517 | S | S | * | . | trans | -25 | 110.2 | 165.1 | -70.6 | 141.8 | 0 | 0 | 0 | 110.1 | Y627 N631 L652 | Y627-L629 VanDerWaalsContact C-N 3.28Å; Y627-L629 PolarHBondContact O-N 2.89Å; L629-N631 VanDerWaalsContact C-N 3.3Å; L629-N631 PolarHBondContact O-N 3.28Å; L629-L652 HydrophobicContact CD1-CD1 4.26Å | ||
| 630 | T | 31.5 | Very low | 51.8 | Low | 138 Ų | 138 | 94 Ų | 94 | 85% | 0.847 | 55% | 0.551 | S | S | * | * | trans | -49.3 | 99.6 | 158.3 | 34.4 | 0 | 0 | 0 | 0 | 107.8 | N628 P632 | N628-T630 PolarHBondContact O-N 3.19Å; T630-P632 VanDerWaalsContact O-CD 3.29Å; T630-P632 WeakPolarHBondContact O-CD 3.32Å | ||
| 631 | N | 30.5 | Very low | 49.1 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -70.2 | 119.1 | 156.9 | -101.7 | -28.7 | 0 | 0 | 0 | 106.4 | L629 S633 | L629-N631 VanDerWaalsContact C-N 3.3Å; L629-N631 PolarHBondContact O-N 3.28Å; N631-S633 PolarHBondContact O-N 3.25Å | ||
| 632 | P | 33.5 | Very low | 46.5 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | trans | -79.8 | 48.9 | 170.4 | 34.5 | -33.8 | 0 | 0 | 0 | 110.5 | T630 | T630-P632 VanDerWaalsContact O-CD 3.29Å; T630-P632 WeakPolarHBondContact O-CD 3.32Å | ||
| 633 | S | 36.2 | Very low | 43.8 | Very low | 76 Ų | 76 | 111 Ų | 111 | 53% | 0.531 | 64% | 0.644 | S | S | . | * | trans | -138.6 | 50.2 | -174.9 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | N631 | N631-S633 PolarHBondContact O-N 3.25Š| ||
| 634 | D | 27.8 | Very low | 41 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -158.7 | 38.9 | 147.3 | -132.6 | 2.2 | 0 | 0 | 0 | 115 | ||
| 635 | S | 31 | Very low | 38.6 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -107.9 | 96.4 | 158.7 | 47 | 0 | 0 | 0 | 0 | 108.9 | R637 | S635-R637 PolarHBondContact O-N 3.25Š| ||
| 636 | G | 30.2 | Very low | 36.2 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -56.9 | 121.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 637 | R | 33.3 | Very low | 34.5 | Very low | 257 Ų | 257 | 130 Ų | 130 | 97% | 0.97 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 62.6 | 100.8 | 157.4 | -65.6 | -172.8 | -178.8 | -145.5 | 0.8 | 118.1 | S635 | S635-R637 PolarHBondContact O-N 3.25Š|
| 638 | G | 28.7 | Very low | 32.6 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 165.1 | 107.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 639 | S | 31.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -66.1 | 130.1 | -167.7 | -175.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 640 | S | 30.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -132.3 | 128.2 | 158.2 | 174 | 0 | 0 | 0 | 0 | 109.4 | L642 | S640-L642 PolarHBondContact O-N 3.46Š| ||
| 641 | L | 30.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 43.8 | -162.9 | -99.9 | 163.5 | 0 | 0 | 0 | 113.9 | ||
| 642 | L | 32.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 4.9 | -173.7 | -81.3 | 170.6 | 0 | 0 | 0 | 118 | S640 | S640-L642 PolarHBondContact O-N 3.46Š|
| 643 | D | 28.8 | Very low | 32 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -111.5 | 117.2 | -178.8 | -109.4 | -23.8 | 0 | 0 | 0 | 113.1 | ||||
| 644 | R | 28.5 | Very low | 32.2 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -130.6 | 124.4 | 176.6 | -173.2 | 173.2 | 154.8 | 162.4 | -5.4 | 111.4 | ||||
| 645 | A | 28.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | 99.6 | 122.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 646 | I | 32.7 | Very low | 33.6 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -99.3 | 144 | 176.6 | -65.1 | 163.8 | 0 | 0 | 0 | 109.6 | ||||
| 647 | P | 33.1 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | -147 | 165.1 | 100.9 | 30.1 | -9.1 | 0 | 0 | 0 | 113.3 | |||||
| 648 | D | 29.4 | Very low | 34.3 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | cis | -162.7 | 145.2 | -13.4 | -169.3 | 2.5 | 0 | 0 | 0 | 106.2 | R650 | D648-R650 VanDerWaalsContact C-N 3.32Å; D648-R650 PolarHBondContact O-N 3.09Å; D648-R650 VanDerWaalsContact O-N 3.15Å | ||
| 649 | R | 31.4 | Very low | 34.6 | Very low | 189 Ų | 189 | 124.3 Ų | 124.3 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 10.9 | -158.6 | -145.5 | 176.3 | 179.5 | 177 | 1.5 | 115.5 | ||
| 650 | R | 36.1 | Very low | 35.4 | Very low | 225 Ų | 225 | 125.6 Ų | 125.6 | 85% | 0.849 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -11.6 | -168.5 | -67.9 | -178.1 | -179.6 | 176.7 | 1 | 115.9 | D648 | D648-R650 VanDerWaalsContact C-N 3.32Å; D648-R650 PolarHBondContact O-N 3.09Å; D648-R650 VanDerWaalsContact O-N 3.15Å |
| 651 | Q | 39.5 | Very low | 35.6 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -85.4 | -14.4 | -176.3 | -73.9 | -178.2 | -0.6 | 0 | 0 | 115.2 | N653 | Q651-N653 PolarHBondContact O-N 3.46Š|
| 652 | L | 39.8 | Very low | 35.5 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 36% | 0.361 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -79.1 | -17.2 | -168.6 | -83.5 | 141 | 0 | 0 | 0 | 114.9 | L629 M655 | L629-L652 HydrophobicContact CD1-CD1 4.26Å; L652-M655 HydrophobicContact CD2-CE 3.81Å; L652-M655 HydrophobicContact CG-CE 4.49Å |
| 653 | N | 32 | Very low | 35.7 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -84.5 | -4.6 | -178 | -72.8 | -4 | 0 | 0 | 0 | 114.1 | Q651 | Q651-N653 PolarHBondContact O-N 3.46Š|
| 654 | A | 40.2 | Very low | 35.8 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -102.7 | -1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T656 | A654-T656 VanDerWaalsContact C-N 3.26Å; A654-T656 PolarHBondContact O-N 3.22Å |
| 655 | M | 46.5 | Very low | 36 | Very low | 36 Ų | 36 | 115.7 Ų | 115.7 | 18% | 0.177 | 64% | 0.637 | C | S | . | * | trans | -86 | 51.5 | -175.7 | -70.9 | -173.5 | -79.9 | 0 | 0 | 113.1 | W623 K624 L652 | W623-M655 HydrophobicContact CZ3-SD 4.25Å; K624-M655 HydrophobicContact CD-CE 4.28Å; K624-M655 WeakPolarHBondContact CE-O 3.37Å; K624-M655 HydrophobicContact CG-CE 4.06Å; K624-M655 HydrophobicContact CG-SD 4.38Å; K624-M655 VanDerWaalsContact NZ-CB 3.34Å; K624-M655 PolarHBondContact NZ-O 3.48Å; L652-M655 HydrophobicContact CD2-CE 3.81Å; L652-M655 HydrophobicContact CG-CE 4.49Å | ||
| 656 | T | 42.1 | Very low | 36.1 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -112.8 | 139.6 | 170.1 | 45.4 | 0 | 0 | 0 | 0 | 108.7 | A654 | A654-T656 VanDerWaalsContact C-N 3.26Å; A654-T656 PolarHBondContact O-N 3.22Å |
| 657 | L | 36.2 | Very low | 35.8 | Very low | 18 Ų | 18 | 113 Ų | 113 | 9% | 0.094 | 64% | 0.639 | C | S | . | * | trans | -54.6 | 142.2 | 168.5 | -71.8 | 172.6 | 0 | 0 | 0 | 108.8 | L613 K617 L620 D659 W710 A713 | L613-L657 WeakPolarHBondContact O-CD1 3.35Å; K617-L657 HydrophobicContact CB-CD1 3.83Å; K617-L657 HydrophobicContact CG-CD1 4.47Å; L620-L657 HydrophobicContact CD1-CD2 4.37Å; L620-L657 HydrophobicContact CD1-CG 4.31Å; L657-D659 PolarHBondContact O-N 3.08Å; L657-D659 VanDerWaalsContact O-N 3.12Å; L657-W710 HydrophobicContact CD2-CE3 4.45Å; L657-W710 HydrophobicContact CD2-CZ3 3.85Å; L657-A713 HydrophobicContact CD2-CB 4.04Å | ||
| 658 | P | 41.2 | Very low | 36 | Very low | 36 Ų | 36 | 112.1 Ų | 112.1 | 23% | 0.234 | 64% | 0.636 | C | S | . | * | trans | -59.8 | 117.3 | -179.9 | -19 | 30 | 0 | 0 | 0 | 110.8 | F660 A728 | P658-F660 HydrophobicContact CB-CD2 3.83Å; P658-F660 HydrophobicContact CB-CE2 3.4Å; P658-F660 VanDerWaalsContact CB-CE2 3.4Å; P658-F660 HydrophobicContact CB-CZ 4.33Å; P658-A728 HydrophobicContact CG-CB 4.25Å | ||
| 659 | D | 36.4 | Very low | 36.2 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | trans | -93.7 | 113.3 | -179.8 | -135.6 | -10.5 | 0 | 0 | 0 | 108.8 | L657 | L657-D659 PolarHBondContact O-N 3.08Å; L657-D659 VanDerWaalsContact O-N 3.12Å | ||
| 660 | F | 47.1 | Very low | 36.2 | Very low | 147 Ų | 147 | 110 Ų | 110 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | trans | -134.6 | 44.5 | -176.8 | -67.2 | -68.1 | 0 | 0 | 0 | 112.7 | P658 E725 | P658-F660 HydrophobicContact CB-CD2 3.83Å; P658-F660 HydrophobicContact CB-CE2 3.4Å; P658-F660 VanDerWaalsContact CB-CE2 3.4Å; P658-F660 HydrophobicContact CB-CZ 4.33Å; F660-E725 HydrophobicContact CD2-CG 4.29Å | ||
| 661 | S | 34.9 | Very low | 36 | Very low | 88 Ų | 88 | 103.5 Ų | 103.5 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | trans | -101 | 90.6 | 169.4 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 662 | D | 29.1 | Very low | 35.8 | Very low | 152 Ų | 152 | 103 Ų | 103 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | -170.7 | 107 | 145.2 | -101.6 | -22.7 | 0 | 0 | 0 | 112 | ||||
| 663 | P | 36.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 102.9 Ų | 102.9 | 81% | 0.805 | 64% | 0.644 | S | S | * | * | trans | -93.9 | -1.5 | 167.2 | -4.3 | 24 | 0 | 0 | 0 | 114.7 | ||||
| 664 | D | 31 | Very low | 36.1 | Very low | 155 Ų | 155 | 100 Ų | 100 | 83% | 0.829 | 63% | 0.627 | S | S | * | * | trans | -110.1 | 70 | -171.4 | -80.8 | -26 | 0 | 0 | 0 | 113.3 | ||||
| 665 | A | 32.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 99.2 Ų | 99.2 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | trans | -145.4 | 91.4 | 154 | 0 | 0 | 0 | 0 | 0 | 109 | S667 | A665-S667 PolarHBondContact O-N 3.42Š| ||
| 666 | G | 30.4 | Very low | 35.3 | Very low | 80 Ų | 80 | 100 Ų | 100 | 83% | 0.825 | 63% | 0.634 | S | S | * | * | trans | -61.5 | 122.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 667 | S | 26.5 | Very low | 35.1 | Very low | 121 Ų | 121 | 98.3 Ų | 98.3 | 85% | 0.846 | 63% | 0.626 | S | S | * | * | 173.7 | 154 | 120.5 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | A665 | A665-S667 PolarHBondContact O-N 3.42Š| |||
| 668 | S | 37 | Very low | 35.2 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | -72.2 | 163.7 | -159.8 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 669 | V | 32.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 101.6 | -8.3 | 156 | -165.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 670 | H | 31.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 108.2 Ų | 108.2 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | trans | -116.5 | 4.8 | 178.6 | -82.7 | -31.8 | 0 | 0 | 0 | 118.2 | T672 S673 I674 | H670-T672 VanDerWaalsContact C-N 3.33Å; H670-T672 PolarHBondContact O-N 3.26Å; H670-S673 PolarHBondContact O-N 3.08Å; H670-S673 VanDerWaalsContact O-N 3.12Å; H670-I674 PolarHBondContact O-N 3.01Å | ||
| 671 | A | 33.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 106.2 Ų | 106.2 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.2 | -26.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 672 | T | 34.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 104.4 Ų | 104.4 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.7 | -18.7 | 175.7 | 45 | 0 | 0 | 0 | 0 | 113.4 | H670 A676 | H670-T672 VanDerWaalsContact C-N 3.33Å; H670-T672 PolarHBondContact O-N 3.26Å; T672-A676 WeakPolarHBondContact O-CB 3.36Å |
| 673 | S | 39.9 | Very low | 35.1 | Very low | 67 Ų | 67 | 102.4 Ų | 102.4 | 47% | 0.469 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -85.2 | -35.1 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | H670 S677 | H670-S673 PolarHBondContact O-N 3.08Å; H670-S673 VanDerWaalsContact O-N 3.12Å; S673-S677 WeakPolarHBondContact O-CB 3.37Å; S673-S677 PolarHBondContact O-N 3.4Å |
| 674 | I | 37.1 | Very low | 35 | Very low | 97 Ų | 97 | 100.5 Ų | 100.5 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -81.6 | -36.8 | -176 | -61.3 | 172.8 | 0 | 0 | 0 | 111.9 | H670 R678 | H670-I674 PolarHBondContact O-N 3.01Å; I674-R678 WeakPolarHBondContact O-CB 3.44Å; I674-R678 WeakPolarHBondContact O-CG 3.34Å; I674-R678 PolarHBondContact O-N 3.46Å |
| 675 | A | 36.4 | Very low | 35.4 | Very low | 61 Ų | 61 | 98.8 Ų | 98.8 | 50% | 0.504 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -40.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V679 | A675-V679 WeakPolarHBondContact O-CB 3.47Å; A675-V679 WeakPolarHBondContact O-CG2 3.37Å; A675-V679 PolarHBondContact O-N 2.91Å |
| 676 | A | 34.8 | Very low | 35.6 | Very low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.6 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T672 V679 E680 | T672-A676 WeakPolarHBondContact O-CB 3.36Å; A676-V679 PolarHBondContact O-N 3.45Å; A676-E680 WeakPolarHBondContact O-CB 3.34Å; A676-E680 PolarHBondContact O-N 2.88Å |
| 677 | S | 36.7 | Very low | 35.6 | Very low | 60 Ų | 60 | 96.4 Ų | 96.4 | 42% | 0.42 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -39.5 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 112.5 | S673 E680 Q681 | S673-S677 WeakPolarHBondContact O-CB 3.37Å; S673-S677 PolarHBondContact O-N 3.4Å; S677-E680 PolarHBondContact O-N 3.26Å; S677-Q681 WeakPolarHBondContact O-CB 3.49Å; S677-Q681 PolarHBondContact O-N 2.93Å |
| 678 | R | 40.1 | Very low | 35.9 | Very low | 165 Ų | 165 | 94.5 Ų | 94.5 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.5 | -30.5 | 175.4 | -73.6 | -175.6 | 179.9 | -173.3 | 1.4 | 112.8 | I674 A682 | I674-R678 WeakPolarHBondContact O-CB 3.44Å; I674-R678 WeakPolarHBondContact O-CG 3.34Å; I674-R678 PolarHBondContact O-N 3.46Å; R678-A682 WeakPolarHBondContact O-CB 2.91Å; R678-A682 PolarHBondContact O-N 3.35Å |
| 679 | V | 38 | Very low | 35.9 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.2 | -39.9 | 171.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | A675 A676 A682 L683 | A675-V679 WeakPolarHBondContact O-CB 3.47Å; A675-V679 WeakPolarHBondContact O-CG2 3.37Å; A675-V679 PolarHBondContact O-N 2.91Å; A676-V679 PolarHBondContact O-N 3.45Å; V679-A682 PolarHBondContact O-N 3Å; V679-L683 HydrophobicContact CG1-CD1 3.65Å; V679-L683 HydrophobicContact CG1-CG 4.28Å; V679-L683 WeakPolarHBondContact O-CB 3.31Å; V679-L683 WeakPolarHBondContact O-CD1 3.39Å; V679-L683 WeakPolarHBondContact O-CG 3.3Å; V679-L683 PolarHBondContact O-N 2.96Å |
| 680 | E | 38.4 | Very low | 36 | Very low | 140 Ų | 140 | 93.2 Ų | 93.2 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -34 | 172.5 | -86.4 | -166.5 | 158.2 | 0 | 0 | 113.1 | A676 S677 S684 | A676-E680 WeakPolarHBondContact O-CB 3.34Å; A676-E680 PolarHBondContact O-N 2.88Å; S677-E680 PolarHBondContact O-N 3.26Å; E680-S684 VanDerWaalsContact O-CB 3.23Å; E680-S684 WeakPolarHBondContact O-CB 3.31Å; E680-S684 PolarHBondContact O-N 3.08Å; E680-S684 PolarHBondContact O-OG 3.04Å |
| 681 | Q | 39 | Very low | 36 | Very low | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.9 | -40.9 | 176.2 | -158.7 | 169.5 | 9.9 | 0 | 0 | 111 | S677 S684 E685 | S677-Q681 WeakPolarHBondContact O-CB 3.49Å; S677-Q681 PolarHBondContact O-N 2.93Å; Q681-S684 PolarHBondContact O-N 2.96Å; Q681-E685 VanDerWaalsContact O-CB 3.31Å; Q681-E685 WeakPolarHBondContact O-CB 3.11Å; Q681-E685 VanDerWaalsContact O-CG 3.28Å; Q681-E685 WeakPolarHBondContact O-CG 3.5Å; Q681-E685 PolarHBondContact O-N 2.93Å |
| 682 | A | 36.2 | Very low | 36 | Very low | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R678 V679 V686 | R678-A682 WeakPolarHBondContact O-CB 2.91Å; R678-A682 PolarHBondContact O-N 3.35Å; V679-A682 PolarHBondContact O-N 3Å; A682-V686 WeakPolarHBondContact O-CB 3.45Å; A682-V686 WeakPolarHBondContact O-CG2 3.39Å; A682-V686 PolarHBondContact O-N 3.22Å |
| 683 | L | 34.1 | Very low | 35.8 | Very low | 110 Ų | 110 | 94.7 Ų | 94.7 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.2 | -33.9 | 176.4 | -72.8 | 167.3 | 0 | 0 | 0 | 112.5 | V679 A687 | V679-L683 HydrophobicContact CG1-CD1 3.65Å; V679-L683 HydrophobicContact CG1-CG 4.28Å; V679-L683 WeakPolarHBondContact O-CB 3.31Å; V679-L683 WeakPolarHBondContact O-CD1 3.39Å; V679-L683 WeakPolarHBondContact O-CG 3.3Å; V679-L683 PolarHBondContact O-N 2.96Å; L683-A687 WeakPolarHBondContact O-CB 3.41Å; L683-A687 PolarHBondContact O-N 3.33Å |
| 684 | S | 34.1 | Very low | 35.4 | Very low | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.8 | -35 | 173.3 | -73.4 | 0 | 0 | 0 | 0 | 112.9 | E680 Q681 A687 S688 | E680-S684 VanDerWaalsContact O-CB 3.23Å; E680-S684 WeakPolarHBondContact O-CB 3.31Å; E680-S684 PolarHBondContact O-N 3.08Å; E680-S684 PolarHBondContact O-OG 3.04Å; Q681-S684 PolarHBondContact O-N 2.96Å; S684-A687 PolarHBondContact O-N 3.19Å; S684-S688 PolarHBondContact O-N 3.35Å |
| 685 | E | 39.9 | Very low | 35.3 | Very low | 119 Ų | 119 | 95.1 Ų | 95.1 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.8 | -33.5 | 173.5 | -73 | 174.2 | -178.4 | 0 | 0 | 111.6 | Q681 S688 S689 | Q681-E685 VanDerWaalsContact O-CB 3.31Å; Q681-E685 WeakPolarHBondContact O-CB 3.11Å; Q681-E685 VanDerWaalsContact O-CG 3.28Å; Q681-E685 WeakPolarHBondContact O-CG 3.5Å; Q681-E685 PolarHBondContact O-N 2.93Å; E685-S688 PolarHBondContact O-N 3.35Å; E685-S688 VanDerWaalsContact O-N 3.16Å; E685-S688 PolarHBondContact O-OG 3.41Å; E685-S689 PolarHBondContact O-N 3.04Å |
| 686 | V | 35.9 | Very low | 35.6 | Very low | 69 Ų | 69 | 97.4 Ų | 97.4 | 42% | 0.418 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -36.6 | 168.7 | 166.5 | 0 | 0 | 0 | 0 | 111.8 | A682 S688 S689 L690 | A682-V686 WeakPolarHBondContact O-CB 3.45Å; A682-V686 WeakPolarHBondContact O-CG2 3.39Å; A682-V686 PolarHBondContact O-N 3.22Å; V686-S688 PolarHBondContact O-N 2.96Å; V686-S689 WeakPolarHBondContact CA-OG 3.45Å; V686-S689 PolarHBondContact O-N 3.01Å; V686-S689 PolarHBondContact O-OG 2.99Å; V686-S689 VanDerWaalsContact O-OG 3.06Å; V686-L690 HydrophobicContact CG1-CD1 4.1Å; V686-L690 HydrophobicContact CG1-CG 4.4Å; V686-L690 WeakPolarHBondContact O-CB 3.33Å; V686-L690 WeakPolarHBondContact O-CD1 3.38Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.33Å; V686-L690 PolarHBondContact O-N 3.26Å |
| 687 | A | 31.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 103.8 Ų | 103.8 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.4 | -29.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L683 S684 | L683-A687 WeakPolarHBondContact O-CB 3.41Å; L683-A687 PolarHBondContact O-N 3.33Å; S684-A687 PolarHBondContact O-N 3.19Å |
| 688 | S | 32.1 | Very low | 36.1 | Very low | 80 Ų | 80 | 103 Ų | 103 | 56% | 0.559 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -82.2 | -27.3 | 175.2 | 77.2 | 0 | 0 | 0 | 0 | 113.8 | S684 E685 V686 | S684-S688 PolarHBondContact O-N 3.35Å; E685-S688 PolarHBondContact O-N 3.35Å; E685-S688 VanDerWaalsContact O-N 3.16Å; E685-S688 PolarHBondContact O-OG 3.41Å; V686-S688 PolarHBondContact O-N 2.96Å |
| 689 | S | 37.2 | Very low | 36.9 | Very low | 69 Ų | 69 | 99.3 Ų | 99.3 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -83.2 | -22.2 | 176.4 | 68 | 0 | 0 | 0 | 0 | 113.5 | E685 V686 Q691 S692 | E685-S689 PolarHBondContact O-N 3.04Å; V686-S689 WeakPolarHBondContact CA-OG 3.45Å; V686-S689 PolarHBondContact O-N 3.01Å; V686-S689 PolarHBondContact O-OG 2.99Å; V686-S689 VanDerWaalsContact O-OG 3.06Å; S689-Q691 PolarHBondContact O-N 3.29Å; S689-Q691 VanDerWaalsContact O-N 3.13Å; S689-S692 PolarHBondContact O-N 3.38Å; S689-S692 VanDerWaalsContact O-N 3.14Å |
| 690 | L | 34.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 99.7 Ų | 99.7 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -14.2 | 172.3 | -81 | 163.2 | 0 | 0 | 0 | 113.9 | V686 | V686-L690 HydrophobicContact CG1-CD1 4.1Å; V686-L690 HydrophobicContact CG1-CG 4.4Å; V686-L690 WeakPolarHBondContact O-CB 3.33Å; V686-L690 WeakPolarHBondContact O-CD1 3.38Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.33Å; V686-L690 PolarHBondContact O-N 3.26Å |
| 691 | Q | 31.2 | Very low | 40 | Very low | 177 Ų | 177 | 99.2 Ų | 99.2 | 83% | 0.827 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -5.6 | 176 | -80.5 | 176.4 | -14.2 | 0 | 0 | 114.6 | S689 | S689-Q691 PolarHBondContact O-N 3.29Å; S689-Q691 VanDerWaalsContact O-N 3.13Å |
| 692 | S | 35 | Very low | 41.9 | Very low | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | trans | -111.4 | 62.6 | -180 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | S689 A694 | S689-S692 PolarHBondContact O-N 3.38Å; S689-S692 VanDerWaalsContact O-N 3.14Å; S692-A694 PolarHBondContact O-N 3.27Å | ||
| 693 | S | 30.6 | Very low | 44.1 | Very low | 120 Ų | 120 | 95.7 Ų | 95.7 | 84% | 0.839 | 56% | 0.56 | S | S | * | * | trans | -75 | 54.1 | 168.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 694 | A | 30.3 | Very low | 46.5 | Very low | 68 Ų | 68 | 94.7 Ų | 94.7 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | trans | -113.4 | 125.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S692 K696 | S692-A694 PolarHBondContact O-N 3.27Å; A694-K696 PolarHBondContact O-N 3.16Å | ||
| 695 | P | 36.2 | Very low | 49 | Very low | 105 Ų | 105 | 90.8 Ų | 90.8 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | trans | -64.3 | 127 | 177.1 | 26 | -31.5 | 0 | 0 | 0 | 109.6 | H697 | P695-H697 PolarHBondContact O-N 3.37Å; P695-H697 VanDerWaalsContact O-N 3.08Å | ||
| 696 | K | 42.8 | Very low | 51.3 | Low | 109 Ų | 109 | 85.4 Ų | 85.4 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | trans | -62.8 | 109.6 | 178.9 | -67.6 | 177.8 | 176.4 | -179.5 | 0 | 109.2 | A694 G698 W703 | A694-K696 PolarHBondContact O-N 3.16Å; K696-G698 PolarHBondContact O-N 3.28Å; K696-W703 HydrophobicContact CB-CZ2 4.45Å; K696-W703 HydrophobicContact CD-CH2 4.32Å | ||
| 697 | H | 34.6 | Very low | 53.8 | Low | 187 Ų | 187 | 82.4 Ų | 82.4 | 87% | 0.866 | 49% | 0.485 | S | S | * | . | trans | -71.8 | 119 | 177.4 | -76.4 | -76.2 | 0 | 0 | 0 | 110.6 | P695 | P695-H697 PolarHBondContact O-N 3.37Å; P695-H697 VanDerWaalsContact O-N 3.08Å | ||
| 698 | G | 46.4 | Very low | 56.7 | Low | 43 Ų | 43 | 83.3 Ų | 83.3 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 176.6 | 167.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K696 | K696-G698 PolarHBondContact O-N 3.28Š|
| 699 | P | 55.9 | Low | 59.5 | Low | 89 Ų | 89 | 79.5 Ų | 79.5 | 58% | 0.578 | 45% | 0.453 | S | S | * | . | trans | -53.8 | 137.8 | 174.3 | 21.4 | -31.1 | 0 | 0 | 0 | 109.8 | H701 P702 | P699-H701 VanDerWaalsContact C-N 3.33Å; P699-H701 PolarHBondContact O-N 2.81Å; P699-P702 HydrophobicContact CB-CG 4.49Å; P699-P702 HydrophobicContact CG-CG 4Å; P699-P702 WeakPolarHBondContact O-CD 3.4Å | ||
| 700 | P | 67.4 | Low | 62 | Low | 94 Ų | 94 | 76.7 Ų | 76.7 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.1 | -35.2 | -174.4 | 25 | -33.1 | 0 | 0 | 0 | 111.8 | W703 L704 | P700-W703 PolarHBondContact O-N 2.99Å; P700-W703 VanDerWaalsContact O-N 3.13Å; P700-L704 HydrophobicContact CB-CD1 3.93Å; P700-L704 WeakPolarHBondContact O-CD1 3.46Å; P700-L704 PolarHBondContact O-N 3.42Å |
| 701 | H | 74.6 | Confident | 64.8 | Low | 130 Ų | 130 | 71 Ų | 71 | 60% | 0.602 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.9 | -49.5 | -172.2 | 178.6 | -80.6 | 0 | 0 | 0 | 113.9 | P699 W703 L704 T705 | P699-H701 VanDerWaalsContact C-N 3.33Å; P699-H701 PolarHBondContact O-N 2.81Å; H701-W703 VanDerWaalsContact C-N 3.31Å; H701-W703 PolarHBondContact O-N 3.35Å; H701-L704 WeakPolarHBondContact O-CB 3.47Å; H701-L704 PolarHBondContact O-N 3.43Å; H701-L704 VanDerWaalsContact O-N 3.16Å; H701-T705 PolarHBondContact O-N 3.03Å; H701-T705 PolarHBondContact O-OG1 3.01Å; H701-T705 VanDerWaalsContact O-OG1 3.04Å |
| 702 | P | 79.7 | Confident | 67.8 | Low | 10 Ų | 10 | 64.1 Ų | 64.1 | 7% | 0.065 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.6 | -40.6 | 175.8 | -30.9 | 38.4 | 0 | 0 | 0 | 114.6 | W623 Y627 P699 T705 L706 | W623-P702 PolarHBondContact NE1-O 3.45Å; Y627-P702 HydrophobicContact CD1-CB 3.76Å; Y627-P702 HydrophobicContact CD1-CG 3.79Å; Y627-P702 HydrophobicContact CD2-CB 4.06Å; Y627-P702 HydrophobicContact CE1-CB 3.54Å; Y627-P702 HydrophobicContact CE1-CG 3.22Å; Y627-P702 HydrophobicContact CE2-CB 3.86Å; Y627-P702 HydrophobicContact CE2-CG 4.32Å; Y627-P702 HydrophobicContact CG-CB 4.02Å; P699-P702 HydrophobicContact CB-CG 4.49Å; P699-P702 HydrophobicContact CG-CG 4Å; P699-P702 WeakPolarHBondContact O-CD 3.4Å; P702-T705 WeakPolarHBondContact O-CB 3.44Å; P702-T705 PolarHBondContact O-N 2.84Å; P702-L706 PolarHBondContact O-N 2.9Å |
| 703 | W | 81.4 | Confident | 70.5 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 27% | 0.269 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.7 | -36.6 | 179 | -58.7 | 113.5 | 0 | 0 | 0 | 111.9 | W623 K696 P700 H701 L706 A707 L736 | W623-W703 HydrophobicContact CH2-CE3 4.21Å; W623-W703 HydrophobicContact CH2-CH2 4.29Å; W623-W703 AromaticContact CH2-CZ3 3.74Å; W623-W703 HydrophobicContact CH2-CZ3 3.74Å; W623-W703 AromaticContact CZ2-CE3 3.99Å; W623-W703 HydrophobicContact CZ2-CE3 3.99Å; W623-W703 HydrophobicContact CZ2-CZ3 4.01Å; K696-W703 HydrophobicContact CB-CZ2 4.45Å; K696-W703 HydrophobicContact CD-CH2 4.32Å; P700-W703 PolarHBondContact O-N 2.99Å; P700-W703 VanDerWaalsContact O-N 3.13Å; H701-W703 VanDerWaalsContact C-N 3.31Å; H701-W703 PolarHBondContact O-N 3.35Å; W703-L706 HydrophobicContact CE3-CD2 4.42Å; W703-L706 HydrophobicContact CZ3-CD2 4.48Å; W703-L706 PolarHBondContact O-N 3.47Å; W703-A707 WeakPolarHBondContact O-CB 3.35Å; W703-A707 PolarHBondContact O-N 3.47Å; W703-L736 HydrophobicContact CE3-CD2 3.85Å; W703-L736 HydrophobicContact CZ3-CD2 4.17Å |
| 704 | L | 85.4 | Confident | 73.5 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 171 | -84.8 | 93.7 | 0 | 0 | 0 | 111.4 | P700 H701 A707 Q708 | P700-L704 HydrophobicContact CB-CD1 3.93Å; P700-L704 WeakPolarHBondContact O-CD1 3.46Å; P700-L704 PolarHBondContact O-N 3.42Å; H701-L704 WeakPolarHBondContact O-CB 3.47Å; H701-L704 PolarHBondContact O-N 3.43Å; H701-L704 VanDerWaalsContact O-N 3.16Å; L704-A707 PolarHBondContact O-N 2.6Å; L704-Q708 WeakPolarHBondContact O-CB 3.37Å; L704-Q708 VanDerWaalsContact O-CG 3.32Å; L704-Q708 WeakPolarHBondContact O-CG 3.35Å; L704-Q708 PolarHBondContact O-N 2.75Å |
| 705 | T | 87.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 175 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | F593 Y597 H701 P702 A707 Q708 I709 | F593-T705 HydrophobicContact CB-CG2 4.11Å; F593-T705 HydrophobicContact CD1-CG2 3.54Å; F593-T705 HydrophobicContact CD2-CG2 3.79Å; F593-T705 HydrophobicContact CE1-CG2 3.85Å; F593-T705 HydrophobicContact CE2-CG2 4.06Å; F593-T705 HydrophobicContact CG-CG2 3.52Å; F593-T705 HydrophobicContact CZ-CG2 4.09Å; Y597-T705 WeakPolarHBondContact OH-CG2 3.49Å; Y597-T705 PolarHBondContact OH-O 3.41Å; H701-T705 PolarHBondContact O-N 3.03Å; H701-T705 PolarHBondContact O-OG1 3.01Å; H701-T705 VanDerWaalsContact O-OG1 3.04Å; P702-T705 WeakPolarHBondContact O-CB 3.44Å; P702-T705 PolarHBondContact O-N 2.84Å; T705-A707 PolarHBondContact O-N 3.31Å; T705-Q708 WeakPolarHBondContact O-CB 3.48Å; T705-Q708 PolarHBondContact O-N 2.63Å; T705-I709 HydrophobicContact CG2-CD1 4.32Å; T705-I709 VanDerWaalsContact O-CG1 3.32Å; T705-I709 WeakPolarHBondContact O-CG1 3.19Å; T705-I709 PolarHBondContact O-N 3.12Å |
| 706 | L | 87.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.8 | -175 | 59.4 | 0 | 0 | 0 | 112.1 | L620 W623 P702 W703 Q708 I709 W710 L736 | L620-L706 HydrophobicContact CD2-CD1 3.45Å; L620-L706 VanDerWaalsContact CD2-CD1 3.45Å; W623-L706 HydrophobicContact CD2-CB 4.19Å; W623-L706 HydrophobicContact CD2-CD1 3.9Å; W623-L706 HydrophobicContact CD2-CD2 4.25Å; W623-L706 HydrophobicContact CD2-CG 4.33Å; W623-L706 HydrophobicContact CE3-CD1 4.07Å; W623-L706 HydrophobicContact CE3-CD2 4.16Å; W623-L706 HydrophobicContact CG-CB 4.48Å; W623-L706 HydrophobicContact CG-CD1 4.18Å; W623-L706 HydrophobicContact CH2-CD2 3.65Å; W623-L706 HydrophobicContact CZ2-CB 4Å; W623-L706 HydrophobicContact CZ2-CD2 3.71Å; W623-L706 HydrophobicContact CZ2-CG 4.35Å; W623-L706 HydrophobicContact CZ3-CD2 3.88Å; P702-L706 PolarHBondContact O-N 2.9Å; W703-L706 HydrophobicContact CE3-CD2 4.42Å; W703-L706 HydrophobicContact CZ3-CD2 4.48Å; W703-L706 PolarHBondContact O-N 3.47Å; L706-Q708 VanDerWaalsContact C-N 3.3Å; L706-Q708 PolarHBondContact O-N 2.76Å; L706-I709 PolarHBondContact O-N 3.27Å; L706-W710 PolarHBondContact O-N 3.26Å; L706-W710 VanDerWaalsContact O-N 3.14Å; L706-L736 HydrophobicContact CB-CD1 3.88Å; L706-L736 HydrophobicContact CD2-CD1 3.54Å; L706-L736 HydrophobicContact CD2-CD2 4.16Å; L706-L736 HydrophobicContact CD2-CG 4.49Å; L706-L736 HydrophobicContact CG-CD1 3.5Å |
| 707 | A | 88.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W703 L704 T705 W710 L711 L736 | W703-A707 WeakPolarHBondContact O-CB 3.35Å; W703-A707 PolarHBondContact O-N 3.47Å; L704-A707 PolarHBondContact O-N 2.6Å; T705-A707 PolarHBondContact O-N 3.31Å; A707-W710 PolarHBondContact O-N 3.22Å; A707-L711 WeakPolarHBondContact O-CG 3.39Å; A707-L711 PolarHBondContact O-N 3.16Å; A707-L736 HydrophobicContact CB-CB 4.35Å; A707-L736 HydrophobicContact CB-CD1 4.27Å |
| 708 | Q | 90.9 | Very high | 84.3 | Confident | 76 Ų | 76 | 37 Ų | 37 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.8 | -76 | 173.4 | -17.7 | 0 | 0 | 112.7 | Y597 L704 T705 L706 W710 L711 H712 | Y597-Q708 HydrophobicContact CE1-CB 4.19Å; Y597-Q708 VanDerWaalsContact OH-CB 3.25Å; Y597-Q708 WeakPolarHBondContact OH-CB 3.49Å; Y597-Q708 PolarHBondContact OH-OE1 3.18Å; L704-Q708 WeakPolarHBondContact O-CB 3.37Å; L704-Q708 VanDerWaalsContact O-CG 3.32Å; L704-Q708 WeakPolarHBondContact O-CG 3.35Å; L704-Q708 PolarHBondContact O-N 2.75Å; T705-Q708 WeakPolarHBondContact O-CB 3.48Å; T705-Q708 PolarHBondContact O-N 2.63Å; L706-Q708 VanDerWaalsContact C-N 3.3Å; L706-Q708 PolarHBondContact O-N 2.76Å; Q708-W710 VanDerWaalsContact C-N 3.34Å; Q708-W710 PolarHBondContact O-N 2.95Å; Q708-L711 PolarHBondContact O-N 3.43Å; Q708-H712 PolarHBondContact O-CD2 3.34Å; Q708-H712 PolarHBondContact O-N 2.86Å |
| 709 | I | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.8 | -63 | 162.8 | 0 | 0 | 0 | 110.5 | F593 Y597 M619 L620 W623 T705 L706 L711 H712 A713 | F593-I709 HydrophobicContact CD1-CD1 4.08Å; F593-I709 HydrophobicContact CD1-CG1 4.45Å; F593-I709 HydrophobicContact CE1-CD1 3.68Å; Y597-I709 HydrophobicContact CE1-CG1 4.15Å; M619-I709 HydrophobicContact CB-CD1 3.97Å; M619-I709 HydrophobicContact CB-CG1 4.04Å; M619-I709 HydrophobicContact CB-CG2 3.99Å; M619-I709 HydrophobicContact CE-CG1 4.07Å; L620-I709 HydrophobicContact CD2-CB 4.25Å; L620-I709 HydrophobicContact CD2-CD1 4.47Å; L620-I709 HydrophobicContact CD2-CG2 3.62Å; L620-I709 HydrophobicContact CG-CG2 3.75Å; W623-I709 HydrophobicContact CB-CD1 4.11Å; W623-I709 HydrophobicContact CG-CD1 4.44Å; T705-I709 HydrophobicContact CG2-CD1 4.32Å; T705-I709 VanDerWaalsContact O-CG1 3.32Å; T705-I709 WeakPolarHBondContact O-CG1 3.19Å; T705-I709 PolarHBondContact O-N 3.12Å; L706-I709 PolarHBondContact O-N 3.27Å; I709-L711 VanDerWaalsContact C-N 3.34Å; I709-L711 PolarHBondContact O-N 2.94Å; I709-H712 PolarHBondContact O-N 3.22Å; I709-A713 PolarHBondContact O-N 3.13Å |
| 710 | W | 91.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 4% | 0.038 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 177.1 | -75.4 | 119.1 | 0 | 0 | 0 | 112.9 | L620 L657 L706 A707 Q708 A713 A714 C729 E732 A733 | L620-W710 HydrophobicContact CD1-CH2 3.98Å; L620-W710 HydrophobicContact CD1-CZ2 4.06Å; L620-W710 HydrophobicContact CD1-CZ3 4.36Å; L620-W710 HydrophobicContact CD2-CZ2 4.22Å; L657-W710 HydrophobicContact CD2-CE3 4.45Å; L657-W710 HydrophobicContact CD2-CZ3 3.85Å; L706-W710 PolarHBondContact O-N 3.26Å; L706-W710 VanDerWaalsContact O-N 3.14Å; A707-W710 PolarHBondContact O-N 3.22Å; Q708-W710 VanDerWaalsContact C-N 3.34Å; Q708-W710 PolarHBondContact O-N 2.95Å; W710-A713 PolarHBondContact O-N 3.22Å; W710-A714 WeakPolarHBondContact O-CB 3.46Å; W710-A714 PolarHBondContact O-N 3.36Å; W710-C729 HydrophobicContact CE3-CB 4.09Å; W710-E732 HydrophobicContact CD2-CB 3.72Å; W710-E732 HydrophobicContact CD2-CG 4.37Å; W710-E732 HydrophobicContact CE3-CB 4.17Å; W710-E732 HydrophobicContact CE3-CG 4.49Å; W710-E732 HydrophobicContact CG-CB 3.95Å; W710-E732 HydrophobicContact CH2-CG 4.27Å; W710-E732 HydrophobicContact CZ2-CB 4.23Å; W710-E732 HydrophobicContact CZ2-CG 4.16Å; W710-E732 HydrophobicContact CZ3-CG 4.42Å; W710-A733 HydrophobicContact CB-CB 3.99Å |
| 711 | L | 93.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | 176.9 | -66.5 | 172.3 | 0 | 0 | 0 | 112 | A707 Q708 I709 A714 E715 T730 A733 N742 M743 M746 | A707-L711 WeakPolarHBondContact O-CG 3.39Å; A707-L711 PolarHBondContact O-N 3.16Å; Q708-L711 PolarHBondContact O-N 3.43Å; I709-L711 VanDerWaalsContact C-N 3.34Å; I709-L711 PolarHBondContact O-N 2.94Å; L711-A714 PolarHBondContact O-N 2.73Å; L711-E715 PolarHBondContact O-N 3.4Å; L711-T730 HydrophobicContact CD2-CG2 4.41Å; L711-A733 HydrophobicContact CD2-CB 3.72Å; L711-A733 HydrophobicContact CG-CB 3.85Å; L711-N742 HydrophobicContact CD1-CB 3.73Å; L711-M743 HydrophobicContact CD2-CB 4.1Å; L711-M743 HydrophobicContact CD2-CG 4.48Å; L711-M746 HydrophobicContact CB-CG 4.49Å; L711-M746 HydrophobicContact CD2-CB 4.16Å; L711-M746 HydrophobicContact CD2-CG 3.64Å |
| 712 | H | 92.8 | Very high | 90 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 173.4 | -77.9 | -56.7 | 0 | 0 | 0 | 112.2 | Y597 Q708 I709 A714 E715 V716 | Y597-H712 AromaticContact CD1-CD2 3.18Å; Y597-H712 WeakPolarHBondContact CD1-CD2 3.48Å; Y597-H712 AromaticContact CD1-NE2 3.42Å; Y597-H712 WeakPolarHBondContact CD1-NE2 3.46Å; Y597-H712 AromaticContact CE1-CD2 3.5Å; Y597-H712 VanDerWaalsContact CE1-CD2 3.5Å; Y597-H712 WeakPolarHBondContact CE1-CD2 3.48Å; Y597-H712 AromaticContact CE1-NE2 3.93Å; Y597-H712 AromaticContact CG-CD2 3.92Å; Y597-H712 AromaticContact CG-NE2 3.64Å; Q708-H712 PolarHBondContact O-CD2 3.34Å; Q708-H712 PolarHBondContact O-N 2.86Å; I709-H712 PolarHBondContact O-N 3.22Å; H712-A714 VanDerWaalsContact C-N 3.35Å; H712-A714 PolarHBondContact O-N 2.7Å; H712-E715 IonicContact ND1-OE2 3.61Å; H712-E715 WeakPolarHBondContact O-CB 3.01Å; H712-E715 PolarHBondContact O-N 3.21Å; H712-V716 WeakPolarHBondContact O-CG2 3.44Å; H712-V716 PolarHBondContact O-N 3.13Å; H712-V716 VanDerWaalsContact O-N 3.15Å |
| 713 | A | 91.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L613 C616 L657 I709 W710 E715 V716 Y717 | L613-A713 HydrophobicContact CD2-CB 4.29Å; C616-A713 HydrophobicContact CB-CB 4.19Å; L657-A713 HydrophobicContact CD2-CB 4.04Å; I709-A713 PolarHBondContact O-N 3.13Å; W710-A713 PolarHBondContact O-N 3.22Å; A713-E715 VanDerWaalsContact C-N 3.29Å; A713-E715 PolarHBondContact O-N 2.98Å; A713-V716 PolarHBondContact O-N 3.34Å; A713-Y717 VanDerWaalsContact O-CD2 3.23Å; A713-Y717 WeakPolarHBondContact O-CD2 3.45Å; A713-Y717 PolarHBondContact O-N 2.95Å |
| 714 | A | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W710 L711 H712 V716 Y717 I718 C729 T730 M746 | W710-A714 WeakPolarHBondContact O-CB 3.46Å; W710-A714 PolarHBondContact O-N 3.36Å; L711-A714 PolarHBondContact O-N 2.73Å; H712-A714 VanDerWaalsContact C-N 3.35Å; H712-A714 PolarHBondContact O-N 2.7Å; A714-V716 VanDerWaalsContact C-N 3.33Å; A714-V716 PolarHBondContact O-N 3.02Å; A714-Y717 PolarHBondContact O-N 2.98Å; A714-I718 VanDerWaalsContact O-CG1 3.3Å; A714-I718 WeakPolarHBondContact O-CG1 3.18Å; A714-I718 PolarHBondContact O-N 3.2Å; A714-C729 HydrophobicContact CB-CB 3.79Å; A714-T730 HydrophobicContact CB-CG2 3.67Å; A714-M746 HydrophobicContact CB-CE 3.98Å |
| 715 | E | 94.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 178.8 | -161.4 | 175.6 | 176.8 | 0 | 0 | 112.2 | K601 L711 H712 A713 I718 G719 M746 | K601-E715 WeakPolarHBondContact CE-OE2 3.45Å; K601-E715 IonicContact NZ-OE1 3.53Å; K601-E715 PolarHBondContact NZ-OE1 2.88Å; K601-E715 IonicContact NZ-OE2 3.65Å; K601-E715 PolarHBondContact NZ-OE2 3.19Å; L711-E715 PolarHBondContact O-N 3.4Å; H712-E715 IonicContact ND1-OE2 3.61Å; H712-E715 WeakPolarHBondContact O-CB 3.01Å; H712-E715 PolarHBondContact O-N 3.21Å; A713-E715 VanDerWaalsContact C-N 3.29Å; A713-E715 PolarHBondContact O-N 2.98Å; E715-I718 PolarHBondContact O-N 3.42Å; E715-G719 PolarHBondContact O-N 3.41Å; E715-G719 VanDerWaalsContact O-N 3.09Å; E715-M746 HydrophobicContact CB-CE 3.53Å; E715-M746 HydrophobicContact CG-CE 4.02Å; E715-M746 VanDerWaalsContact N-CE 3.32Å |
| 716 | V | 93.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | V600 P609 A612 L613 H712 A713 A714 I718 G719 M720 | V600-V716 HydrophobicContact CG1-CG2 4.15Å; P609-V716 HydrophobicContact CB-CG1 3.58Å; P609-V716 WeakPolarHBondContact O-CG1 3.48Å; A612-V716 HydrophobicContact CB-CG1 4.36Å; A612-V716 HydrophobicContact CB-CG2 4.06Å; L613-V716 HydrophobicContact CD1-CG1 4.34Å; L613-V716 HydrophobicContact CD2-CB 4.05Å; L613-V716 HydrophobicContact CD2-CG1 4.05Å; L613-V716 HydrophobicContact CG-CB 4.36Å; L613-V716 HydrophobicContact CG-CG1 3.8Å; H712-V716 WeakPolarHBondContact O-CG2 3.44Å; H712-V716 PolarHBondContact O-N 3.13Å; H712-V716 VanDerWaalsContact O-N 3.15Å; A713-V716 PolarHBondContact O-N 3.34Å; A714-V716 VanDerWaalsContact C-N 3.33Å; A714-V716 PolarHBondContact O-N 3.02Å; V716-I718 VanDerWaalsContact C-N 3.32Å; V716-I718 PolarHBondContact O-N 3.12Å; V716-G719 WeakPolarHBondContact O-CA 3.19Å; V716-G719 PolarHBondContact O-N 3.11Å; V716-G719 VanDerWaalsContact O-N 3.08Å; V716-M720 HydrophobicContact CG1-SD 4.46Å; V716-M720 WeakPolarHBondContact O-CG 3.37Å; V716-M720 PolarHBondContact O-N 2.9Å |
| 717 | Y | 91.5 | Very high | 91.1 | Very high | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -34.4 | 176.8 | -76.3 | -59.5 | 0 | 0 | 0 | 113.6 | L613 A713 A714 G719 M720 S721 K722 E725 | L613-Y717 HydrophobicContact CD1-CD1 4.2Å; L613-Y717 HydrophobicContact CD1-CE1 3.59Å; L613-Y717 HydrophobicContact CD1-CE2 4.44Å; L613-Y717 HydrophobicContact CD2-CD2 4.17Å; L613-Y717 HydrophobicContact CD2-CE1 4.36Å; L613-Y717 HydrophobicContact CD2-CE2 3.75Å; A713-Y717 VanDerWaalsContact O-CD2 3.23Å; A713-Y717 WeakPolarHBondContact O-CD2 3.45Å; A713-Y717 PolarHBondContact O-N 2.95Å; A714-Y717 PolarHBondContact O-N 2.98Å; Y717-G719 VanDerWaalsContact C-N 3.35Å; Y717-M720 HydrophobicContact CD1-SD 4.09Å; Y717-M720 HydrophobicContact CE1-SD 4.47Å; Y717-M720 CarbonylContact O-C 3.34Å; Y717-M720 PolarHBondContact O-N 3.49Å; Y717-S721 PolarHBondContact O-N 2.83Å; Y717-K722 HydrophobicContact CD1-CB 4.25Å; Y717-K722 HydrophobicContact CD1-CD 4.25Å; Y717-K722 PolarHBondContact O-N 2.92Å; Y717-E725 HydrophobicContact CD1-CB 3.64Å; Y717-E725 HydrophobicContact CD1-CG 4.33Å; Y717-E725 HydrophobicContact CD2-CB 3.93Å; Y717-E725 HydrophobicContact CE1-CB 3.78Å; Y717-E725 HydrophobicContact CE1-CG 4.16Å; Y717-E725 HydrophobicContact CE2-CB 4.06Å; Y717-E725 HydrophobicContact CG-CB 3.73Å |
| 718 | I | 93 | Very high | 91 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 171.8 | -69.6 | 171.3 | 0 | 0 | 0 | 110.1 | A714 E715 V716 M720 S721 A726 M746 Q749 I750 | A714-I718 VanDerWaalsContact O-CG1 3.3Å; A714-I718 WeakPolarHBondContact O-CG1 3.18Å; A714-I718 PolarHBondContact O-N 3.2Å; E715-I718 PolarHBondContact O-N 3.42Å; V716-I718 VanDerWaalsContact C-N 3.32Å; V716-I718 PolarHBondContact O-N 3.12Å; I718-M720 PolarHBondContact O-N 3.02Å; I718-S721 PolarHBondContact O-N 2.98Å; I718-A726 HydrophobicContact CG1-CB 3.76Å; I718-M746 HydrophobicContact CD1-CE 3.51Å; I718-Q749 HydrophobicContact CD1-CB 3.75Å; I718-I750 HydrophobicContact CD1-CG1 3.77Å; I718-I750 HydrophobicContact CG1-CG1 4.02Å |
| 719 | G | 90.6 | Very high | 90.8 | Very high | 65 Ų | 65 | 31 Ų | 31 | 67% | 0.67 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.4 | -33.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E715 V716 Y717 S721 | E715-G719 PolarHBondContact O-N 3.41Å; E715-G719 VanDerWaalsContact O-N 3.09Å; V716-G719 WeakPolarHBondContact O-CA 3.19Å; V716-G719 PolarHBondContact O-N 3.11Å; V716-G719 VanDerWaalsContact O-N 3.08Å; Y717-G719 VanDerWaalsContact C-N 3.35Å; G719-S721 PolarHBondContact O-N 2.68Å |
| 720 | M | 90.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 31.1 Ų | 31.1 | 21% | 0.212 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.3 | 174.1 | -62.7 | 176.3 | 82.5 | 0 | 0 | 114.2 | P609 E610 L613 V716 Y717 I718 K722 | P609-M720 HydrophobicContact CB-CE 4.4Å; P609-M720 HydrophobicContact CB-CG 3.52Å; P609-M720 HydrophobicContact CB-SD 3.76Å; P609-M720 HydrophobicContact CG-CE 4.12Å; P609-M720 HydrophobicContact CG-CG 3.73Å; P609-M720 HydrophobicContact CG-SD 4.11Å; E610-M720 WeakPolarHBondContact OE1-CE 3.44Å; L613-M720 HydrophobicContact CD1-SD 3.89Å; V716-M720 HydrophobicContact CG1-SD 4.46Å; V716-M720 WeakPolarHBondContact O-CG 3.37Å; V716-M720 PolarHBondContact O-N 2.9Å; Y717-M720 HydrophobicContact CD1-SD 4.09Å; Y717-M720 HydrophobicContact CE1-SD 4.47Å; Y717-M720 CarbonylContact O-C 3.34Å; Y717-M720 PolarHBondContact O-N 3.49Å; I718-M720 PolarHBondContact O-N 3.02Å; M720-K722 VanDerWaalsContact C-N 3.26Å; M720-K722 HydrophobicContact CB-CB 4.43Å; M720-K722 HydrophobicContact CB-CD 4.27Å; M720-K722 HydrophobicContact CB-CG 4.17Å; M720-K722 HydrophobicContact CE-CD 4.26Å; M720-K722 PolarHBondContact O-N 2.87Å; M720-K722 HydrophobicContact SD-CD 4.49Å |
| 721 | S | 92.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 58% | 0.58 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 34.6 | -172.7 | -56.1 | 0 | 0 | 0 | 0 | 114 | Y717 I718 G719 P723 | Y717-S721 PolarHBondContact O-N 2.83Å; I718-S721 PolarHBondContact O-N 2.98Å; G719-S721 PolarHBondContact O-N 2.68Å; S721-P723 WeakPolarHBondContact O-CD 3.39Å |
| 722 | K | 89.9 | Confident | 90.1 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 34% | 0.335 | 23% | 0.229 | S | C | . | . | trans | -108.2 | 82.4 | 179.5 | -76.2 | -175 | 176.7 | -175.4 | 0 | 111.1 | Y717 M720 A724 E725 A726 | Y717-K722 HydrophobicContact CD1-CB 4.25Å; Y717-K722 HydrophobicContact CD1-CD 4.25Å; Y717-K722 PolarHBondContact O-N 2.92Å; M720-K722 VanDerWaalsContact C-N 3.26Å; M720-K722 HydrophobicContact CB-CB 4.43Å; M720-K722 HydrophobicContact CB-CD 4.27Å; M720-K722 HydrophobicContact CB-CG 4.17Å; M720-K722 HydrophobicContact CE-CD 4.26Å; M720-K722 PolarHBondContact O-N 2.87Å; M720-K722 HydrophobicContact SD-CD 4.49Å; K722-A724 PolarHBondContact O-N 2.74Å; K722-E725 WeakPolarHBondContact CB-OE2 2.93Å; K722-A726 PolarHBondContact O-N 2.93Å | ||
| 723 | P | 90.5 | Very high | 89.8 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71 | -24.6 | -171.5 | 27.2 | -35.2 | 0 | 0 | 0 | 114.3 | S721 T727 I750 L753 R754 | S721-P723 WeakPolarHBondContact O-CD 3.39Å; P723-T727 WeakPolarHBondContact O-CB 3.09Å; P723-T727 PolarHBondContact O-N 3.24Å; P723-T727 VanDerWaalsContact O-N 3.07Å; P723-T727 PolarHBondContact O-OG1 2.89Å; P723-I750 HydrophobicContact CB-CG2 4.4Å; P723-L753 HydrophobicContact CB-CD2 3.9Å; P723-L753 HydrophobicContact CB-CG 4.35Å; P723-L753 HydrophobicContact CG-CD2 4.42Å; P723-R754 HydrophobicContact CB-CG 4.17Å |
| 724 | A | 87.9 | Confident | 89.6 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 55% | 0.554 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -71.5 | -46.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | K722 T727 A728 | K722-A724 PolarHBondContact O-N 2.74Å; A724-T727 WeakPolarHBondContact O-CB 3.12Å; A724-T727 PolarHBondContact O-N 2.78Å; A724-T727 VanDerWaalsContact O-N 3.16Å; A724-A728 PolarHBondContact O-N 3.31Å |
| 725 | E | 86.6 | Confident | 89.2 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 178.7 | -61.5 | 91.2 | 143.9 | 0 | 0 | 111.3 | F660 Y717 K722 T727 A728 C729 | F660-E725 HydrophobicContact CD2-CG 4.29Å; Y717-E725 HydrophobicContact CD1-CB 3.64Å; Y717-E725 HydrophobicContact CD1-CG 4.33Å; Y717-E725 HydrophobicContact CD2-CB 3.93Å; Y717-E725 HydrophobicContact CE1-CB 3.78Å; Y717-E725 HydrophobicContact CE1-CG 4.16Å; Y717-E725 HydrophobicContact CE2-CB 4.06Å; Y717-E725 HydrophobicContact CG-CB 3.73Å; K722-E725 WeakPolarHBondContact CB-OE2 2.93Å; E725-T727 VanDerWaalsContact C-N 3.27Å; E725-T727 PolarHBondContact O-N 2.87Å; E725-A728 PolarHBondContact O-N 3.21Å; E725-C729 PolarHBondContact O-N 3.33Å; E725-C729 PolarHBondContact O-SG 2.91Å |
| 726 | A | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -37.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | I718 K722 C729 T730 I750 | I718-A726 HydrophobicContact CG1-CB 3.76Å; K722-A726 PolarHBondContact O-N 2.93Å; A726-C729 PolarHBondContact O-N 3.47Å; A726-T730 WeakPolarHBondContact O-CB 3.49Å; A726-T730 WeakPolarHBondContact O-CG2 3.48Å; A726-T730 PolarHBondContact O-N 3.47Å; A726-T730 PolarHBondContact O-OG1 2.89Å; A726-I750 HydrophobicContact CB-CD1 3.84Å; A726-I750 HydrophobicContact CB-CG1 3.86Å; A726-I750 WeakPolarHBondContact O-CD1 3.05Å |
| 727 | T | 90.3 | Very high | 87.9 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | P723 A724 E725 T730 Q731 I750 R754 | P723-T727 WeakPolarHBondContact O-CB 3.09Å; P723-T727 PolarHBondContact O-N 3.24Å; P723-T727 VanDerWaalsContact O-N 3.07Å; P723-T727 PolarHBondContact O-OG1 2.89Å; A724-T727 WeakPolarHBondContact O-CB 3.12Å; A724-T727 PolarHBondContact O-N 2.78Å; A724-T727 VanDerWaalsContact O-N 3.16Å; E725-T727 VanDerWaalsContact C-N 3.27Å; E725-T727 PolarHBondContact O-N 2.87Å; T727-T730 WeakPolarHBondContact CA-OG1 3.4Å; T727-T730 PolarHBondContact O-N 2.78Å; T727-T730 PolarHBondContact O-OG1 2.88Å; T727-Q731 VanDerWaalsContact O-CB 3.29Å; T727-Q731 WeakPolarHBondContact O-CB 3.35Å; T727-Q731 PolarHBondContact O-N 3.27Å; T727-I750 WeakPolarHBondContact OG1-CG2 3.42Å; T727-R754 PolarHBondContact OG1-NH2 2.95Å |
| 728 | A | 87.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P658 A724 E725 T730 Q731 E732 | P658-A728 HydrophobicContact CG-CB 4.25Å; A724-A728 PolarHBondContact O-N 3.31Å; E725-A728 PolarHBondContact O-N 3.21Å; A728-T730 PolarHBondContact O-N 3.47Å; A728-Q731 WeakPolarHBondContact O-CB 3.49Å; A728-Q731 PolarHBondContact O-N 3.31Å; A728-E732 PolarHBondContact O-N 3.06Å |
| 729 | C | 86 | Confident | 87 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | W710 A714 E725 A726 Q731 E732 A733 | W710-C729 HydrophobicContact CE3-CB 4.09Å; A714-C729 HydrophobicContact CB-CB 3.79Å; E725-C729 PolarHBondContact O-N 3.33Å; E725-C729 PolarHBondContact O-SG 2.91Å; A726-C729 PolarHBondContact O-N 3.47Å; C729-Q731 VanDerWaalsContact C-N 3.32Å; C729-Q731 PolarHBondContact O-N 3.41Å; C729-E732 PolarHBondContact O-N 2.87Å; C729-A733 PolarHBondContact O-N 2.97Å; C729-A733 VanDerWaalsContact O-N 3.08Å |
| 730 | T | 88.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -30.4 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | L711 A714 A726 T727 A728 A733 A734 M746 I750 | L711-T730 HydrophobicContact CD2-CG2 4.41Å; A714-T730 HydrophobicContact CB-CG2 3.67Å; A726-T730 WeakPolarHBondContact O-CB 3.49Å; A726-T730 WeakPolarHBondContact O-CG2 3.48Å; A726-T730 PolarHBondContact O-N 3.47Å; A726-T730 PolarHBondContact O-OG1 2.89Å; T727-T730 WeakPolarHBondContact CA-OG1 3.4Å; T727-T730 PolarHBondContact O-N 2.78Å; T727-T730 PolarHBondContact O-OG1 2.88Å; A728-T730 PolarHBondContact O-N 3.47Å; T730-A733 PolarHBondContact O-N 3.07Å; T730-A734 WeakPolarHBondContact O-CB 3.34Å; T730-A734 PolarHBondContact O-N 3.11Å; T730-M746 HydrophobicContact CG2-CB 3.48Å; T730-M746 VanDerWaalsContact CG2-CB 3.48Å; T730-M746 HydrophobicContact CG2-CG 4.38Å; T730-I750 HydrophobicContact CG2-CD1 3.64Å; T730-I750 WeakPolarHBondContact OG1-CD1 3.28Å |
| 731 | Q | 88 | Confident | 86.9 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 173.2 | -174.9 | 57.5 | 41 | 0 | 0 | 111.4 | T727 A728 C729 A734 N735 | T727-Q731 VanDerWaalsContact O-CB 3.29Å; T727-Q731 WeakPolarHBondContact O-CB 3.35Å; T727-Q731 PolarHBondContact O-N 3.27Å; A728-Q731 WeakPolarHBondContact O-CB 3.49Å; A728-Q731 PolarHBondContact O-N 3.31Å; C729-Q731 VanDerWaalsContact C-N 3.32Å; C729-Q731 PolarHBondContact O-N 3.41Å; Q731-A734 WeakPolarHBondContact O-CB 3.29Å; Q731-A734 PolarHBondContact O-N 3.42Å; Q731-N735 PolarHBondContact NE2-OD1 3.1Å; Q731-N735 PolarHBondContact O-N 2.91Å; Q731-N735 PolarHBondContact O-ND2 3.45Å; Q731-N735 PolarHBondContact O-OD1 3.3Å |
| 732 | E | 86 | Confident | 86.8 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.1 | -69.3 | -52.8 | 140.3 | 0 | 0 | 112.1 | W710 A728 C729 A734 N735 L736 | W710-E732 HydrophobicContact CD2-CB 3.72Å; W710-E732 HydrophobicContact CD2-CG 4.37Å; W710-E732 HydrophobicContact CE3-CB 4.17Å; W710-E732 HydrophobicContact CE3-CG 4.49Å; W710-E732 HydrophobicContact CG-CB 3.95Å; W710-E732 HydrophobicContact CH2-CG 4.27Å; W710-E732 HydrophobicContact CZ2-CB 4.23Å; W710-E732 HydrophobicContact CZ2-CG 4.16Å; W710-E732 HydrophobicContact CZ3-CG 4.42Å; A728-E732 PolarHBondContact O-N 3.06Å; C729-E732 PolarHBondContact O-N 2.87Å; E732-A734 VanDerWaalsContact C-N 3.3Å; E732-A734 PolarHBondContact O-N 3.32Å; E732-N735 WeakPolarHBondContact O-CB 3.23Å; E732-N735 PolarHBondContact O-N 3.49Å; E732-N735 PolarHBondContact OE2-ND2 2.86Å; E732-L736 WeakPolarHBondContact O-CG 3.49Å; E732-L736 PolarHBondContact O-N 3.44Å |
| 733 | A | 85.6 | Confident | 87 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | W710 L711 C729 T730 N735 L736 S737 | W710-A733 HydrophobicContact CB-CB 3.99Å; L711-A733 HydrophobicContact CD2-CB 3.72Å; L711-A733 HydrophobicContact CG-CB 3.85Å; C729-A733 PolarHBondContact O-N 2.97Å; C729-A733 VanDerWaalsContact O-N 3.08Å; T730-A733 PolarHBondContact O-N 3.07Å; A733-N735 VanDerWaalsContact C-N 3.35Å; A733-N735 PolarHBondContact O-N 2.66Å; A733-L736 PolarHBondContact O-N 3.27Å; A733-S737 PolarHBondContact O-N 3.44Å |
| 734 | A | 87.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T730 Q731 E732 L736 S737 P738 M743 | T730-A734 WeakPolarHBondContact O-CB 3.34Å; T730-A734 PolarHBondContact O-N 3.11Å; Q731-A734 WeakPolarHBondContact O-CB 3.29Å; Q731-A734 PolarHBondContact O-N 3.42Å; E732-A734 VanDerWaalsContact C-N 3.3Å; E732-A734 PolarHBondContact O-N 3.32Å; A734-L736 PolarHBondContact O-N 3.03Å; A734-S737 CarbonylContact O-C 3.59Å; A734-S737 PolarHBondContact O-N 3.37Å; A734-P738 VanDerWaalsContact O-CA 3.3Å; A734-P738 WeakPolarHBondContact O-CA 3.3Å; A734-P738 WeakPolarHBondContact O-CD 3.36Å; A734-P738 WeakPolarHBondContact O-CG 3.5Å; A734-P738 VanDerWaalsContact O-N 3.08Å; A734-M743 HydrophobicContact CB-CG 4.11Å; A734-M743 HydrophobicContact CB-SD 3.4Å; A734-M743 WeakPolarHBondContact CB-SD 3.28Å |
| 735 | N | 84.6 | Confident | 87.5 | Confident | 85 Ų | 85 | 38 Ų | 38 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.5 | -25.4 | 176.9 | -64.4 | -22.3 | 0 | 0 | 0 | 112.4 | Q731 E732 A733 | Q731-N735 PolarHBondContact NE2-OD1 3.1Å; Q731-N735 PolarHBondContact O-N 2.91Å; Q731-N735 PolarHBondContact O-ND2 3.45Å; Q731-N735 PolarHBondContact O-OD1 3.3Å; E732-N735 WeakPolarHBondContact O-CB 3.23Å; E732-N735 PolarHBondContact O-N 3.49Å; E732-N735 PolarHBondContact OE2-ND2 2.86Å; A733-N735 VanDerWaalsContact C-N 3.35Å; A733-N735 PolarHBondContact O-N 2.66Å |
| 736 | L | 81.8 | Confident | 87.8 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -93.4 | -39.9 | -179.5 | -59.2 | 172.1 | 0 | 0 | 0 | 112.6 | W703 L706 A707 E732 A733 A734 | W703-L736 HydrophobicContact CE3-CD2 3.85Å; W703-L736 HydrophobicContact CZ3-CD2 4.17Å; L706-L736 HydrophobicContact CB-CD1 3.88Å; L706-L736 HydrophobicContact CD2-CD1 3.54Å; L706-L736 HydrophobicContact CD2-CD2 4.16Å; L706-L736 HydrophobicContact CD2-CG 4.49Å; L706-L736 HydrophobicContact CG-CD1 3.5Å; A707-L736 HydrophobicContact CB-CB 4.35Å; A707-L736 HydrophobicContact CB-CD1 4.27Å; E732-L736 WeakPolarHBondContact O-CG 3.49Å; E732-L736 PolarHBondContact O-N 3.44Å; A733-L736 PolarHBondContact O-N 3.27Å; A734-L736 PolarHBondContact O-N 3.03Å |
| 737 | S | 78.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | trans | -143.9 | 82 | 179.6 | -77.7 | 0 | 0 | 0 | 0 | 110.5 | A733 A734 T739 S740 | A733-S737 PolarHBondContact O-N 3.44Å; A734-S737 CarbonylContact O-C 3.59Å; A734-S737 PolarHBondContact O-N 3.37Å; S737-T739 PolarHBondContact O-N 3Å; S737-S740 WeakPolarHBondContact O-CB 3.23Å; S737-S740 PolarHBondContact O-N 3.22Å; S737-S740 VanDerWaalsContact O-N 3.17Å | ||
| 738 | P | 82 | Confident | 88.3 | Confident | 88 Ų | 88 | 37.8 Ų | 37.8 | 57% | 0.571 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.1 | -176.7 | -21.3 | 29.1 | 0 | 0 | 0 | 113.5 | A734 | A734-P738 VanDerWaalsContact O-CA 3.3Å; A734-P738 WeakPolarHBondContact O-CA 3.3Å; A734-P738 WeakPolarHBondContact O-CD 3.36Å; A734-P738 WeakPolarHBondContact O-CG 3.5Å; A734-P738 VanDerWaalsContact O-N 3.08Å |
| 739 | T | 84.2 | Confident | 88.7 | Confident | 105 Ų | 105 | 37.1 Ų | 37.1 | 64% | 0.644 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 17.3 | -176.5 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | S737 | S737-T739 PolarHBondContact O-N 3Š|
| 740 | S | 87.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | trans | -78.5 | 122.7 | -179.8 | 179 | 0 | 0 | 0 | 0 | 111.8 | S737 N742 M743 M744 | S737-S740 WeakPolarHBondContact O-CB 3.23Å; S737-S740 PolarHBondContact O-N 3.22Å; S737-S740 VanDerWaalsContact O-N 3.17Å; S740-N742 PolarHBondContact O-N 3.16Å; S740-N742 PolarHBondContact OG-N 3.38Å; S740-M743 WeakPolarHBondContact O-CB 3.31Å; S740-M743 PolarHBondContact O-N 3.15Å; S740-M743 VanDerWaalsContact O-N 3.11Å; S740-M744 PolarHBondContact O-N 3.28Å; S740-M744 VanDerWaalsContact O-N 3.09Å | ||
| 741 | H | 91.9 | Very high | 89.4 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -34.1 | 175.1 | 68.1 | -86.6 | 0 | 0 | 0 | 112.6 | M743 M744 Y745 I770 N771 H774 | H741-M743 VanDerWaalsContact C-N 3.35Å; H741-M744 PolarHBondContact O-N 2.94Å; H741-Y745 WeakPolarHBondContact O-CB 3.26Å; H741-Y745 PolarHBondContact O-N 2.76Å; H741-I770 HydrophobicContact CB-CB 4.17Å; H741-I770 HydrophobicContact CB-CG2 4.07Å; H741-N771 HydrophobicContact CB-CB 3.77Å; H741-N771 PolarHBondContact CE1-ND2 3.29Å; H741-N771 PolarHBondContact NE2-ND2 3.37Å; H741-N771 VanDerWaalsContact NE2-ND2 3.14Å; H741-H774 AromaticContact CD2-CD2 3.8Å; H741-H774 AromaticContact CD2-CG 3.77Å; H741-H774 AromaticContact NE2-CD2 3.93Å |
| 742 | N | 91 | Very high | 89.6 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.5 | -69.6 | -37.8 | 0 | 0 | 0 | 111.1 | L711 S740 Y745 M746 | L711-N742 HydrophobicContact CD1-CB 3.73Å; S740-N742 PolarHBondContact O-N 3.16Å; S740-N742 PolarHBondContact OG-N 3.38Å; N742-Y745 WeakPolarHBondContact O-CB 3.31Å; N742-Y745 PolarHBondContact O-N 3.47Å; N742-M746 VanDerWaalsContact O-CG 3.3Å; N742-M746 WeakPolarHBondContact O-CG 3.37Å; N742-M746 PolarHBondContact O-N 3.38Å |
| 743 | M | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 174.4 | -179.7 | -115.3 | 53.5 | 0 | 0 | 111.4 | L711 A734 S740 H741 Y745 M746 R747 | L711-M743 HydrophobicContact CD2-CB 4.1Å; L711-M743 HydrophobicContact CD2-CG 4.48Å; A734-M743 HydrophobicContact CB-CG 4.11Å; A734-M743 HydrophobicContact CB-SD 3.4Å; A734-M743 WeakPolarHBondContact CB-SD 3.28Å; S740-M743 WeakPolarHBondContact O-CB 3.31Å; S740-M743 PolarHBondContact O-N 3.15Å; S740-M743 VanDerWaalsContact O-N 3.11Å; H741-M743 VanDerWaalsContact C-N 3.35Å; M743-Y745 VanDerWaalsContact C-N 3.33Å; M743-Y745 PolarHBondContact O-N 2.99Å; M743-M746 PolarHBondContact O-N 3.19Å; M743-R747 HydrophobicContact CE-CG 4.43Å; M743-R747 PolarHBondContact O-N 3.36Å |
| 744 | M | 93.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | -179.8 | -68 | 175.3 | 173 | 0 | 0 | 110.6 | S740 H741 M746 R747 G748 E766 A767 I770 | S740-M744 PolarHBondContact O-N 3.28Å; S740-M744 VanDerWaalsContact O-N 3.09Å; H741-M744 PolarHBondContact O-N 2.94Å; M744-M746 PolarHBondContact O-N 3.06Å; M744-R747 PolarHBondContact O-N 3.34Å; M744-G748 PolarHBondContact O-N 2.82Å; M744-E766 HydrophobicContact SD-CB 3.95Å; M744-A767 HydrophobicContact CB-CB 3.65Å; M744-I770 HydrophobicContact CE-CG1 4.07Å; M744-I770 HydrophobicContact SD-CG1 3.82Å |
| 745 | Y | 95.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 171.7 | 169.6 | -100.1 | 0 | 0 | 0 | 112.4 | H741 N742 M743 R747 G748 Q749 Y764 H774 K776 T777 R780 | H741-Y745 WeakPolarHBondContact O-CB 3.26Å; H741-Y745 PolarHBondContact O-N 2.76Å; N742-Y745 WeakPolarHBondContact O-CB 3.31Å; N742-Y745 PolarHBondContact O-N 3.47Å; M743-Y745 VanDerWaalsContact C-N 3.33Å; M743-Y745 PolarHBondContact O-N 2.99Å; Y745-R747 VanDerWaalsContact C-N 3.35Å; Y745-R747 PolarHBondContact O-N 2.88Å; Y745-G748 PolarHBondContact O-N 3.17Å; Y745-Q749 HydrophobicContact CE1-CG 4.17Å; Y745-Q749 HydrophobicContact CE2-CG 4.31Å; Y745-Q749 PolarHBondContact O-N 3.33Å; Y745-Q749 PolarHBondContact OH-NE2 2.97Å; Y745-Y764 HydrophobicContact CD2-CD1 4.28Å; Y745-Y764 AromaticContact CD2-CE1 3.79Å; Y745-Y764 HydrophobicContact CD2-CE1 3.79Å; Y745-Y764 HydrophobicContact CE2-CE1 4.26Å; Y745-Y764 WeakPolarHBondContact O-CE1 3.5Å; Y745-H774 AromaticContact CD2-CE1 3.96Å; Y745-H774 AromaticContact CG-CE1 3.83Å; Y745-K776 HydrophobicContact CD2-CB 4.41Å; Y745-K776 HydrophobicContact CE1-CD 4.43Å; Y745-K776 HydrophobicContact CE2-CB 3.68Å; Y745-T777 WeakPolarHBondContact CD2-OG1 3.35Å; Y745-R780 HydrophobicContact CE2-CG 3.94Å |
| 746 | M | 94.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.7 | -64.5 | -50.1 | -72.5 | 0 | 0 | 112.3 | L711 A714 E715 I718 T730 N742 M743 M744 G748 Q749 I750 | L711-M746 HydrophobicContact CB-CG 4.49Å; L711-M746 HydrophobicContact CD2-CB 4.16Å; L711-M746 HydrophobicContact CD2-CG 3.64Å; A714-M746 HydrophobicContact CB-CE 3.98Å; E715-M746 HydrophobicContact CB-CE 3.53Å; E715-M746 HydrophobicContact CG-CE 4.02Å; E715-M746 VanDerWaalsContact N-CE 3.32Å; I718-M746 HydrophobicContact CD1-CE 3.51Å; T730-M746 HydrophobicContact CG2-CB 3.48Å; T730-M746 VanDerWaalsContact CG2-CB 3.48Å; T730-M746 HydrophobicContact CG2-CG 4.38Å; N742-M746 VanDerWaalsContact O-CG 3.3Å; N742-M746 WeakPolarHBondContact O-CG 3.37Å; N742-M746 PolarHBondContact O-N 3.38Å; M743-M746 PolarHBondContact O-N 3.19Å; M744-M746 PolarHBondContact O-N 3.06Å; M746-G748 VanDerWaalsContact C-N 3.34Å; M746-G748 PolarHBondContact O-N 3.21Å; M746-Q749 PolarHBondContact O-N 3.3Å; M746-I750 VanDerWaalsContact O-CG1 3.31Å; M746-I750 WeakPolarHBondContact O-CG1 3.25Å; M746-I750 PolarHBondContact O-N 3.16Å |
| 747 | R | 93.8 | Very high | 91.5 | Very high | 63 Ų | 63 | 43 Ų | 43 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 173.1 | -74.8 | -170.9 | 172.4 | -175 | -3.2 | 112.5 | M743 M744 Y745 Q749 I750 A751 W763 | M743-R747 HydrophobicContact CE-CG 4.43Å; M743-R747 PolarHBondContact O-N 3.36Å; M744-R747 PolarHBondContact O-N 3.34Å; Y745-R747 VanDerWaalsContact C-N 3.35Å; Y745-R747 PolarHBondContact O-N 2.88Å; R747-Q749 VanDerWaalsContact C-N 3.34Å; R747-Q749 PolarHBondContact O-N 3.18Å; R747-I750 PolarHBondContact O-N 3.29Å; R747-A751 PolarHBondContact O-N 3.33Å; R747-W763 HydrophobicContact CB-CD2 3.96Å; R747-W763 HydrophobicContact CB-CE3 4.43Å; R747-W763 HydrophobicContact CB-CG 4.04Å |
| 748 | G | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M744 Y745 M746 I750 A751 E752 A760 Y764 | M744-G748 PolarHBondContact O-N 2.82Å; Y745-G748 PolarHBondContact O-N 3.17Å; M746-G748 VanDerWaalsContact C-N 3.34Å; M746-G748 PolarHBondContact O-N 3.21Å; G748-I750 PolarHBondContact O-N 3.07Å; G748-A751 PolarHBondContact O-N 2.98Å; G748-E752 PolarHBondContact O-N 2.94Å; G748-A760 WeakPolarHBondContact O-CB 3.48Å; G748-Y764 VanDerWaalsContact C-OH 3.26Å |
| 749 | Q | 95.1 | Very high | 92.7 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.4 | -71 | -164.6 | -37.1 | 0 | 0 | 112.9 | I718 Y745 M746 R747 A751 E752 L753 Y764 | I718-Q749 HydrophobicContact CD1-CB 3.75Å; Y745-Q749 HydrophobicContact CE1-CG 4.17Å; Y745-Q749 HydrophobicContact CE2-CG 4.31Å; Y745-Q749 PolarHBondContact O-N 3.33Å; Y745-Q749 PolarHBondContact OH-NE2 2.97Å; M746-Q749 PolarHBondContact O-N 3.3Å; R747-Q749 VanDerWaalsContact C-N 3.34Å; R747-Q749 PolarHBondContact O-N 3.18Å; Q749-A751 VanDerWaalsContact C-N 3.35Å; Q749-E752 PolarHBondContact O-N 3.49Å; Q749-L753 PolarHBondContact O-N 3.12Å; Q749-Y764 WeakPolarHBondContact CA-OH 3.35Å; Q749-Y764 WeakPolarHBondContact CG-OH 3.45Å; Q749-Y764 PolarHBondContact N-OH 3.45Å; Q749-Y764 VanDerWaalsContact N-OH 3.11Å |
| 750 | I | 94.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.4 | -66.7 | 163.6 | 0 | 0 | 0 | 110.8 | I718 P723 A726 T727 T730 M746 R747 G748 L753 R754 | I718-I750 HydrophobicContact CD1-CG1 3.77Å; I718-I750 HydrophobicContact CG1-CG1 4.02Å; P723-I750 HydrophobicContact CB-CG2 4.4Å; A726-I750 HydrophobicContact CB-CD1 3.84Å; A726-I750 HydrophobicContact CB-CG1 3.86Å; A726-I750 WeakPolarHBondContact O-CD1 3.05Å; T727-I750 WeakPolarHBondContact OG1-CG2 3.42Å; T730-I750 HydrophobicContact CG2-CD1 3.64Å; T730-I750 WeakPolarHBondContact OG1-CD1 3.28Å; M746-I750 VanDerWaalsContact O-CG1 3.31Å; M746-I750 WeakPolarHBondContact O-CG1 3.25Å; M746-I750 PolarHBondContact O-N 3.16Å; R747-I750 PolarHBondContact O-N 3.29Å; G748-I750 PolarHBondContact O-N 3.07Å; I750-L753 PolarHBondContact O-N 3.03Å; I750-R754 WeakPolarHBondContact O-CG 3.34Å; I750-R754 PolarHBondContact O-N 3.13Å |
| 751 | A | 94.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R747 G748 Q749 R754 G755 N756 E759 A760 | R747-A751 PolarHBondContact O-N 3.33Å; G748-A751 PolarHBondContact O-N 2.98Å; Q749-A751 VanDerWaalsContact C-N 3.35Å; A751-R754 PolarHBondContact O-N 3.32Å; A751-G755 PolarHBondContact O-N 3.43Å; A751-N756 PolarHBondContact O-N 3.42Å; A751-E759 HydrophobicContact CB-CB 4.14Å; A751-E759 HydrophobicContact CB-CG 4.08Å; A751-A760 HydrophobicContact CB-CB 3.91Å |
| 752 | E | 93.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 171.2 | -72.5 | -158.9 | -124.4 | 0 | 0 | 112.1 | G748 Q749 R754 G755 A760 Y764 R780 I784 | G748-E752 PolarHBondContact O-N 2.94Å; Q749-E752 PolarHBondContact O-N 3.49Å; E752-R754 PolarHBondContact O-N 3.45Å; E752-G755 WeakPolarHBondContact O-CA 3.31Å; E752-G755 PolarHBondContact O-N 3.03Å; E752-A760 HydrophobicContact CB-CB 4.48Å; E752-A760 HydrophobicContact CG-CB 3.49Å; E752-A760 VanDerWaalsContact CG-CB 3.49Å; E752-Y764 HydrophobicContact CG-CE2 4.33Å; E752-Y764 WeakPolarHBondContact OE1-CE2 3.27Å; E752-Y764 PolarHBondContact OE1-OH 3Å; E752-R780 IonicContact OE1-CZ 3.65Å; E752-R780 IonicContact OE1-NE 2.96Å; E752-R780 PolarHBondContact OE1-NE 3.26Å; E752-R780 IonicContact OE1-NH2 3.32Å; E752-R780 PolarHBondContact OE1-NH2 2.95Å; E752-R780 VanDerWaalsContact OE1-NH2 3.16Å; E752-R780 IonicContact OE2-CZ 2.72Å; E752-R780 IonicContact OE2-NE 3.93Å; E752-R780 IonicContact OE2-NH2 3.01Å; E752-R780 PolarHBondContact OE2-NH2 3.27Å; E752-I784 HydrophobicContact CG-CD1 4.18Å |
| 753 | L | 93.1 | Very high | 94 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -29 | 177.8 | -175.6 | 63 | 0 | 0 | 0 | 112.5 | P723 Q749 I750 G755 | P723-L753 HydrophobicContact CB-CD2 3.9Å; P723-L753 HydrophobicContact CB-CG 4.35Å; P723-L753 HydrophobicContact CG-CD2 4.42Å; Q749-L753 PolarHBondContact O-N 3.12Å; I750-L753 PolarHBondContact O-N 3.03Å; L753-G755 VanDerWaalsContact C-N 3.31Å |
| 754 | R | 92.9 | Very high | 94.1 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.3 | 172.9 | -69.7 | 175.6 | -179.8 | 171.2 | 0.9 | 113.8 | P723 T727 I750 A751 E752 | P723-R754 HydrophobicContact CB-CG 4.17Å; T727-R754 PolarHBondContact OG1-NH2 2.95Å; I750-R754 WeakPolarHBondContact O-CG 3.34Å; I750-R754 PolarHBondContact O-N 3.13Å; A751-R754 PolarHBondContact O-N 3.32Å; E752-R754 PolarHBondContact O-N 3.45Å |
| 755 | G | 91.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 55% | 0.546 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 7.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A751 E752 L753 T757 | A751-G755 PolarHBondContact O-N 3.43Å; E752-G755 WeakPolarHBondContact O-CA 3.31Å; E752-G755 PolarHBondContact O-N 3.03Å; L753-G755 VanDerWaalsContact C-N 3.31Å; G755-T757 PolarHBondContact O-N 3Å |
| 756 | N | 93.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | trans | -89.8 | 81.8 | -179.9 | -72.8 | -11.1 | 0 | 0 | 0 | 111.2 | A751 D758 E759 A760 | A751-N756 PolarHBondContact O-N 3.42Å; N756-D758 PolarHBondContact O-N 3.3Å; N756-E759 HydrophobicContact CB-CB 3.98Å; N756-E759 PolarHBondContact ND2-OE2 3.42Å; N756-E759 PolarHBondContact O-N 3.38Å; N756-A760 PolarHBondContact O-N 3.15Å | ||
| 757 | T | 92.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 52 Ų | 52 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | -176.8 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | G755 A760 K761 | G755-T757 PolarHBondContact O-N 3Å; T757-A760 PolarHBondContact O-N 3.47Å; T757-K761 WeakPolarHBondContact O-CB 3.37Å; T757-K761 PolarHBondContact O-N 2.93Å |
| 758 | D | 92.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 50.3 Ų | 50.3 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 178.3 | -74.9 | -36.3 | 0 | 0 | 0 | 112.7 | N756 R762 | N756-D758 PolarHBondContact O-N 3.3Å; D758-R762 WeakPolarHBondContact O-CG 3.22Å; D758-R762 PolarHBondContact O-N 3.18Å |
| 759 | E | 94.3 | Very high | 94.2 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.7 | -44.7 | 176.7 | -172.9 | -177.3 | 179.3 | 0 | 0 | 110.4 | A751 N756 K761 R762 W763 | A751-E759 HydrophobicContact CB-CB 4.14Å; A751-E759 HydrophobicContact CB-CG 4.08Å; N756-E759 HydrophobicContact CB-CB 3.98Å; N756-E759 PolarHBondContact ND2-OE2 3.42Å; N756-E759 PolarHBondContact O-N 3.38Å; E759-K761 VanDerWaalsContact C-N 3.3Å; E759-K761 PolarHBondContact O-N 2.59Å; E759-R762 PolarHBondContact O-N 2.88Å; E759-W763 VanDerWaalsContact O-CD1 3.24Å; E759-W763 PolarHBondContact O-N 3.06Å; E759-W763 VanDerWaalsContact O-N 3.1Å |
| 760 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | G748 A751 E752 N756 T757 R762 W763 Y764 I784 | G748-A760 WeakPolarHBondContact O-CB 3.48Å; A751-A760 HydrophobicContact CB-CB 3.91Å; E752-A760 HydrophobicContact CB-CB 4.48Å; E752-A760 HydrophobicContact CG-CB 3.49Å; E752-A760 VanDerWaalsContact CG-CB 3.49Å; N756-A760 PolarHBondContact O-N 3.15Å; T757-A760 PolarHBondContact O-N 3.47Å; A760-R762 PolarHBondContact O-N 3.22Å; A760-W763 PolarHBondContact O-N 2.93Å; A760-Y764 HydrophobicContact CB-CE2 4.25Å; A760-Y764 WeakPolarHBondContact O-CD2 3.42Å; A760-Y764 PolarHBondContact O-N 3.39Å; A760-I784 HydrophobicContact CB-CD1 3.66Å |
| 761 | K | 95.1 | Very high | 94 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.8 | -48.3 | 176 | -174.4 | -174.5 | 163.9 | -165.8 | 0 | 112.1 | T757 E759 Y764 E765 L781 I784 L788 | T757-K761 WeakPolarHBondContact O-CB 3.37Å; T757-K761 PolarHBondContact O-N 2.93Å; E759-K761 VanDerWaalsContact C-N 3.3Å; E759-K761 PolarHBondContact O-N 2.59Å; K761-Y764 PolarHBondContact O-N 3Å; K761-E765 WeakPolarHBondContact CE-OE1 3.47Å; K761-E765 IonicContact NZ-OE1 3.92Å; K761-E765 WeakPolarHBondContact O-CG 3.45Å; K761-E765 PolarHBondContact O-N 3.27Å; K761-L781 HydrophobicContact CG-CD1 3.85Å; K761-I784 HydrophobicContact CB-CG2 4.19Å; K761-L788 HydrophobicContact CD-CD1 4.39Å |
| 762 | R | 95.9 | Very high | 93.9 | Very high | 158 Ų | 158 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | 179.6 | -68.9 | 178 | -150.7 | 162.5 | 6.1 | 111.4 | D758 E759 A760 Y764 E765 E766 | D758-R762 WeakPolarHBondContact O-CG 3.22Å; D758-R762 PolarHBondContact O-N 3.18Å; E759-R762 PolarHBondContact O-N 2.88Å; A760-R762 PolarHBondContact O-N 3.22Å; R762-Y764 VanDerWaalsContact C-N 3.28Å; R762-Y764 PolarHBondContact O-N 3.3Å; R762-E765 PolarHBondContact O-N 3.47Å; R762-E766 WeakPolarHBondContact O-CG 3.4Å; R762-E766 PolarHBondContact O-N 3.4Å |
| 763 | W | 95.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 177.8 | -74.7 | 121.1 | 0 | 0 | 0 | 112.8 | R747 E759 A760 E766 A767 | R747-W763 HydrophobicContact CB-CD2 3.96Å; R747-W763 HydrophobicContact CB-CE3 4.43Å; R747-W763 HydrophobicContact CB-CG 4.04Å; E759-W763 VanDerWaalsContact O-CD1 3.24Å; E759-W763 PolarHBondContact O-N 3.06Å; E759-W763 VanDerWaalsContact O-N 3.1Å; A760-W763 PolarHBondContact O-N 2.93Å; W763-E766 VanDerWaalsContact CE3-OE2 3.29Å; W763-E766 WeakPolarHBondContact CZ3-OE2 3.38Å; W763-A767 WeakPolarHBondContact O-CB 3.5Å; W763-A767 PolarHBondContact O-N 3.42Å |
| 764 | Y | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 174.5 | -66.1 | -34.6 | 0 | 0 | 0 | 113.3 | Y745 G748 Q749 E752 A760 K761 R762 E766 A767 L768 T777 R780 I784 | Y745-Y764 HydrophobicContact CD2-CD1 4.28Å; Y745-Y764 AromaticContact CD2-CE1 3.79Å; Y745-Y764 HydrophobicContact CD2-CE1 3.79Å; Y745-Y764 HydrophobicContact CE2-CE1 4.26Å; Y745-Y764 WeakPolarHBondContact O-CE1 3.5Å; G748-Y764 VanDerWaalsContact C-OH 3.26Å; Q749-Y764 WeakPolarHBondContact CA-OH 3.35Å; Q749-Y764 WeakPolarHBondContact CG-OH 3.45Å; Q749-Y764 PolarHBondContact N-OH 3.45Å; Q749-Y764 VanDerWaalsContact N-OH 3.11Å; E752-Y764 HydrophobicContact CG-CE2 4.33Å; E752-Y764 WeakPolarHBondContact OE1-CE2 3.27Å; E752-Y764 PolarHBondContact OE1-OH 3Å; A760-Y764 HydrophobicContact CB-CE2 4.25Å; A760-Y764 WeakPolarHBondContact O-CD2 3.42Å; A760-Y764 PolarHBondContact O-N 3.39Å; K761-Y764 PolarHBondContact O-N 3Å; R762-Y764 VanDerWaalsContact C-N 3.28Å; R762-Y764 PolarHBondContact O-N 3.3Å; Y764-E766 VanDerWaalsContact C-N 3.34Å; Y764-A767 PolarHBondContact O-N 3.42Å; Y764-L768 WeakPolarHBondContact O-CB 3.45Å; Y764-L768 WeakPolarHBondContact O-CG 3.31Å; Y764-L768 PolarHBondContact O-N 3.28Å; Y764-T777 HydrophobicContact CD1-CG2 3.75Å; Y764-T777 HydrophobicContact CG-CG2 3.94Å; Y764-T777 VanDerWaalsContact O-CG2 3.25Å; Y764-T777 WeakPolarHBondContact O-CG2 3.33Å; Y764-R780 HydrophobicContact CD2-CB 3.99Å; Y764-R780 HydrophobicContact CE1-CB 4.12Å; Y764-R780 HydrophobicContact CE1-CG 4.49Å; Y764-R780 HydrophobicContact CE2-CB 3.42Å; Y764-R780 VanDerWaalsContact CE2-CB 3.42Å; Y764-R780 HydrophobicContact CE2-CG 4.36Å; Y764-R780 VanDerWaalsContact CZ-CB 3.49Å; Y764-I784 HydrophobicContact CD2-CD1 3.74Å; Y764-I784 HydrophobicContact CE2-CD1 3.64Å |
| 765 | E | 94.8 | Very high | 94 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 172.2 | -72.7 | 174.9 | 161.1 | 0 | 0 | 111.1 | K761 R762 L768 S769 L781 | K761-E765 WeakPolarHBondContact CE-OE1 3.47Å; K761-E765 IonicContact NZ-OE1 3.92Å; K761-E765 WeakPolarHBondContact O-CG 3.45Å; K761-E765 PolarHBondContact O-N 3.27Å; R762-E765 PolarHBondContact O-N 3.47Å; E765-L768 PolarHBondContact O-N 3.03Å; E765-S769 PolarHBondContact O-N 2.98Å; E765-L781 HydrophobicContact CG-CD1 4.38Å; E765-L781 HydrophobicContact CG-CD2 4.39Å |
| 766 | E | 94.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 60.3 Ų | 60.3 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.6 | -73.7 | -177.6 | -166.4 | 0 | 0 | 111.8 | M744 R762 W763 Y764 L768 S769 I770 | M744-E766 HydrophobicContact SD-CB 3.95Å; R762-E766 WeakPolarHBondContact O-CG 3.4Å; R762-E766 PolarHBondContact O-N 3.4Å; W763-E766 VanDerWaalsContact CE3-OE2 3.29Å; W763-E766 WeakPolarHBondContact CZ3-OE2 3.38Å; Y764-E766 VanDerWaalsContact C-N 3.34Å; E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.83Å; E766-S769 WeakPolarHBondContact O-CB 3.28Å; E766-S769 PolarHBondContact O-N 2.82Å; E766-S769 VanDerWaalsContact O-N 3.07Å; E766-S769 PolarHBondContact O-OG 3.44Å; E766-I770 PolarHBondContact O-N 3.19Å |
| 767 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M744 W763 Y764 I770 N771 T777 | M744-A767 HydrophobicContact CB-CB 3.65Å; W763-A767 WeakPolarHBondContact O-CB 3.5Å; W763-A767 PolarHBondContact O-N 3.42Å; Y764-A767 PolarHBondContact O-N 3.42Å; A767-I770 PolarHBondContact O-N 3.44Å; A767-N771 PolarHBondContact O-N 3.28Å; A767-T777 HydrophobicContact CB-CG2 3.97Å |
| 768 | L | 94.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.7 | -27.3 | 176.1 | -74.4 | 174.7 | 0 | 0 | 0 | 113.4 | Y764 E765 E766 I770 N771 P772 T777 M778 L781 | Y764-L768 WeakPolarHBondContact O-CB 3.45Å; Y764-L768 WeakPolarHBondContact O-CG 3.31Å; Y764-L768 PolarHBondContact O-N 3.28Å; E765-L768 PolarHBondContact O-N 3.03Å; E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.83Å; L768-I770 PolarHBondContact O-N 2.92Å; L768-N771 WeakPolarHBondContact CD2-O 3.45Å; L768-N771 CarbonylContact O-C 3.51Å; L768-P772 VanDerWaalsContact O-CA 3.26Å; L768-P772 WeakPolarHBondContact O-CA 3.37Å; L768-P772 WeakPolarHBondContact O-CG 3.3Å; L768-P772 VanDerWaalsContact O-N 3.13Å; L768-T777 HydrophobicContact CD1-CG2 4.03Å; L768-T777 HydrophobicContact CD2-CG2 4.12Å; L768-T777 HydrophobicContact CG-CG2 3.61Å; L768-M778 HydrophobicContact CD1-CG 4.23Å; L768-M778 HydrophobicContact CD2-CG 3.66Å; L768-L781 HydrophobicContact CD1-CD2 3.6Å |
| 769 | S | 94.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 62% | 0.615 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.2 | -30.2 | 172.1 | 79.6 | 0 | 0 | 0 | 0 | 112 | E765 E766 | E765-S769 PolarHBondContact O-N 2.98Å; E766-S769 WeakPolarHBondContact O-CB 3.28Å; E766-S769 PolarHBondContact O-N 2.82Å; E766-S769 VanDerWaalsContact O-N 3.07Å; E766-S769 PolarHBondContact O-OG 3.44Å |
| 770 | I | 92.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 51 Ų | 51 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -84.3 | -47.9 | 175.3 | -57.9 | -57.1 | 0 | 0 | 0 | 111.6 | H741 M744 E766 A767 L768 | H741-I770 HydrophobicContact CB-CB 4.17Å; H741-I770 HydrophobicContact CB-CG2 4.07Å; M744-I770 HydrophobicContact CE-CG1 4.07Å; M744-I770 HydrophobicContact SD-CG1 3.82Å; E766-I770 PolarHBondContact O-N 3.19Å; A767-I770 PolarHBondContact O-N 3.44Å; L768-I770 PolarHBondContact O-N 2.92Å |
| 771 | N | 92.2 | Very high | 94.8 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | trans | -128.3 | 93.1 | 177.9 | -174.8 | -2.7 | 0 | 0 | 0 | 110.7 | H741 A767 L768 T773 H774 | H741-N771 HydrophobicContact CB-CB 3.77Å; H741-N771 PolarHBondContact CE1-ND2 3.29Å; H741-N771 PolarHBondContact NE2-ND2 3.37Å; H741-N771 VanDerWaalsContact NE2-ND2 3.14Å; A767-N771 PolarHBondContact O-N 3.28Å; L768-N771 WeakPolarHBondContact CD2-O 3.45Å; L768-N771 CarbonylContact O-C 3.51Å; N771-T773 PolarHBondContact O-N 2.94Å; N771-T773 VanDerWaalsContact O-N 3.08Å; N771-T773 PolarHBondContact OD1-N 2.71Å; N771-T773 PolarHBondContact OD1-OG1 3.1Å; N771-H774 HydrophobicContact CB-CB 4.24Å; N771-H774 PolarHBondContact O-N 2.77Å | ||
| 772 | P | 93.4 | Very high | 94.8 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 57% | 0.571 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.9 | -177.5 | -24.9 | 34.8 | 0 | 0 | 0 | 114.7 | L768 | L768-P772 VanDerWaalsContact O-CA 3.26Å; L768-P772 WeakPolarHBondContact O-CA 3.37Å; L768-P772 WeakPolarHBondContact O-CG 3.3Å; L768-P772 VanDerWaalsContact O-N 3.13Å |
| 773 | T | 92.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 15.2 | -176.7 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | N771 V775 V804 | N771-T773 PolarHBondContact O-N 2.94Å; N771-T773 VanDerWaalsContact O-N 3.08Å; N771-T773 PolarHBondContact OD1-N 2.71Å; N771-T773 PolarHBondContact OD1-OG1 3.1Å; T773-V775 PolarHBondContact O-N 3.42Å; T773-V804 HydrophobicContact CG2-CG2 4.19Å; T773-V804 WeakPolarHBondContact O-CG1 3.25Å |
| 774 | H | 94.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 12% | 0.12 | 22% | 0.218 | C | C | . | . | trans | -77.5 | 95.1 | 178.5 | -171.6 | -118.5 | 0 | 0 | 0 | 111.9 | H741 Y745 N771 K776 T777 M778 | H741-H774 AromaticContact CD2-CD2 3.8Å; H741-H774 AromaticContact CD2-CG 3.77Å; H741-H774 AromaticContact NE2-CD2 3.93Å; Y745-H774 AromaticContact CD2-CE1 3.96Å; Y745-H774 AromaticContact CG-CE1 3.83Å; N771-H774 HydrophobicContact CB-CB 4.24Å; N771-H774 PolarHBondContact O-N 2.77Å; H774-K776 PolarHBondContact O-N 3.02Å; H774-T777 PolarHBondContact ND1-N 3.33Å; H774-T777 PolarHBondContact ND1-OG1 2.94Å; H774-T777 PolarHBondContact O-N 2.94Å; H774-M778 WeakPolarHBondContact O-CG 3.49Å; H774-M778 PolarHBondContact O-N 3.32Å; H774-M778 VanDerWaalsContact O-N 3.1Å | ||
| 775 | V | 94.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 13% | 0.127 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.5 | -44.6 | -172.7 | -179 | 0 | 0 | 0 | 0 | 113.4 | T773 T777 M778 Q779 V804 N805 V811 | T773-V775 PolarHBondContact O-N 3.42Å; V775-T777 VanDerWaalsContact C-N 3.32Å; V775-T777 PolarHBondContact O-N 2.96Å; V775-M778 PolarHBondContact O-N 2.99Å; V775-Q779 PolarHBondContact O-N 3.09Å; V775-V804 HydrophobicContact CG2-CB 4.01Å; V775-V804 HydrophobicContact CG2-CG1 3.53Å; V775-N805 HydrophobicContact CG1-CB 4.34Å; V775-N805 HydrophobicContact CG2-CB 3.73Å; V775-V811 HydrophobicContact CG1-CG2 3.7Å |
| 776 | K | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 39.3 Ų | 39.3 | 41% | 0.409 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 179.7 | -68 | -175 | 175.4 | -175.2 | 0 | 111.9 | Y745 H774 Q779 R780 | Y745-K776 HydrophobicContact CD2-CB 4.41Å; Y745-K776 HydrophobicContact CE1-CD 4.43Å; Y745-K776 HydrophobicContact CE2-CB 3.68Å; H774-K776 PolarHBondContact O-N 3.02Å; K776-Q779 PolarHBondContact O-N 3.16Å; K776-R780 WeakPolarHBondContact O-CG 3.41Å; K776-R780 PolarHBondContact O-N 3.21Å; K776-R780 VanDerWaalsContact O-N 3.11Å |
| 777 | T | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | Y745 Y764 A767 L768 H774 V775 Q779 R780 L781 | Y745-T777 WeakPolarHBondContact CD2-OG1 3.35Å; Y764-T777 HydrophobicContact CD1-CG2 3.75Å; Y764-T777 HydrophobicContact CG-CG2 3.94Å; Y764-T777 VanDerWaalsContact O-CG2 3.25Å; Y764-T777 WeakPolarHBondContact O-CG2 3.33Å; A767-T777 HydrophobicContact CB-CG2 3.97Å; L768-T777 HydrophobicContact CD1-CG2 4.03Å; L768-T777 HydrophobicContact CD2-CG2 4.12Å; L768-T777 HydrophobicContact CG-CG2 3.61Å; H774-T777 PolarHBondContact ND1-N 3.33Å; H774-T777 PolarHBondContact ND1-OG1 2.94Å; H774-T777 PolarHBondContact O-N 2.94Å; V775-T777 VanDerWaalsContact C-N 3.32Å; V775-T777 PolarHBondContact O-N 2.96Å; T777-Q779 VanDerWaalsContact C-N 3.29Å; T777-Q779 PolarHBondContact O-N 3.42Å; T777-R780 PolarHBondContact O-N 3.47Å; T777-L781 VanDerWaalsContact O-CB 3.32Å; T777-L781 WeakPolarHBondContact O-CB 3.39Å; T777-L781 PolarHBondContact O-N 3.32Å |
| 778 | M | 96.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 177.5 | -61 | 173.5 | 81.4 | 0 | 0 | 111.4 | L768 H774 V775 G782 V797 D800 A801 | L768-M778 HydrophobicContact CD1-CG 4.23Å; L768-M778 HydrophobicContact CD2-CG 3.66Å; H774-M778 WeakPolarHBondContact O-CG 3.49Å; H774-M778 PolarHBondContact O-N 3.32Å; H774-M778 VanDerWaalsContact O-N 3.1Å; V775-M778 PolarHBondContact O-N 2.99Å; M778-G782 PolarHBondContact O-N 3.11Å; M778-V797 HydrophobicContact CB-CG1 3.9Å; M778-V797 WeakPolarHBondContact CE-O 3.17Å; M778-V797 VanDerWaalsContact O-CG1 3.31Å; M778-V797 WeakPolarHBondContact O-CG1 3.44Å; M778-D800 HydrophobicContact CE-CB 3.45Å; M778-D800 VanDerWaalsContact CE-CB 3.45Å; M778-A801 HydrophobicContact CB-CB 3.75Å; M778-A801 HydrophobicContact CE-CB 4.01Å; M778-A801 VanDerWaalsContact CE-N 3.3Å; M778-A801 HydrophobicContact CG-CB 4.47Å; M778-A801 HydrophobicContact SD-CB 3.96Å |
| 779 | Q | 96.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -53.5 | 175.3 | -174.1 | -153.1 | -11.8 | 0 | 0 | 111.6 | V775 K776 T777 L781 G782 L783 V811 | V775-Q779 PolarHBondContact O-N 3.09Å; K776-Q779 PolarHBondContact O-N 3.16Å; T777-Q779 VanDerWaalsContact C-N 3.29Å; T777-Q779 PolarHBondContact O-N 3.42Å; Q779-L781 PolarHBondContact O-N 3Å; Q779-G782 WeakPolarHBondContact O-CA 3.41Å; Q779-G782 PolarHBondContact O-N 3.04Å; Q779-G782 VanDerWaalsContact O-N 3.15Å; Q779-L783 HydrophobicContact CG-CD1 4.48Å; Q779-L783 PolarHBondContact O-N 2.92Å; Q779-V811 HydrophobicContact CB-CG2 4.04Å; Q779-V811 HydrophobicContact CG-CG2 4.27Å |
| 780 | R | 96 | Very high | 94.4 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -179.2 | -62.3 | -56 | -68.6 | -163.1 | -5.7 | 112.2 | Y745 E752 Y764 K776 T777 G782 L783 I784 | Y745-R780 HydrophobicContact CE2-CG 3.94Å; E752-R780 IonicContact OE1-CZ 3.65Å; E752-R780 IonicContact OE1-NE 2.96Å; E752-R780 PolarHBondContact OE1-NE 3.26Å; E752-R780 IonicContact OE1-NH2 3.32Å; E752-R780 PolarHBondContact OE1-NH2 2.95Å; E752-R780 VanDerWaalsContact OE1-NH2 3.16Å; E752-R780 IonicContact OE2-CZ 2.72Å; E752-R780 IonicContact OE2-NE 3.93Å; E752-R780 IonicContact OE2-NH2 3.01Å; E752-R780 PolarHBondContact OE2-NH2 3.27Å; Y764-R780 HydrophobicContact CD2-CB 3.99Å; Y764-R780 HydrophobicContact CE1-CB 4.12Å; Y764-R780 HydrophobicContact CE1-CG 4.49Å; Y764-R780 HydrophobicContact CE2-CB 3.42Å; Y764-R780 VanDerWaalsContact CE2-CB 3.42Å; Y764-R780 HydrophobicContact CE2-CG 4.36Å; Y764-R780 VanDerWaalsContact CZ-CB 3.49Å; K776-R780 WeakPolarHBondContact O-CG 3.41Å; K776-R780 PolarHBondContact O-N 3.21Å; K776-R780 VanDerWaalsContact O-N 3.11Å; T777-R780 PolarHBondContact O-N 3.47Å; R780-G782 VanDerWaalsContact C-N 3.33Å; R780-G782 PolarHBondContact O-N 2.59Å; R780-L783 PolarHBondContact O-N 2.96Å; R780-I784 WeakPolarHBondContact O-CG1 3.26Å; R780-I784 PolarHBondContact O-N 3.45Å |
| 781 | L | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 173.6 | -177.6 | 60.6 | 0 | 0 | 0 | 111.5 | K761 E765 L768 T777 Q779 L783 I784 L785 | K761-L781 HydrophobicContact CG-CD1 3.85Å; E765-L781 HydrophobicContact CG-CD1 4.38Å; E765-L781 HydrophobicContact CG-CD2 4.39Å; L768-L781 HydrophobicContact CD1-CD2 3.6Å; T777-L781 VanDerWaalsContact O-CB 3.32Å; T777-L781 WeakPolarHBondContact O-CB 3.39Å; T777-L781 PolarHBondContact O-N 3.32Å; Q779-L781 PolarHBondContact O-N 3Å; L781-L783 VanDerWaalsContact C-N 3.35Å; L781-L783 PolarHBondContact O-N 3.4Å; L781-I784 PolarHBondContact O-N 3.38Å; L781-L785 HydrophobicContact CD1-CD1 4.5Å; L781-L785 HydrophobicContact CD1-CG 4.42Å; L781-L785 HydrophobicContact CG-CD1 4.13Å; L781-L785 WeakPolarHBondContact O-CB 3.37Å; L781-L785 VanDerWaalsContact O-CG 3.25Å; L781-L785 WeakPolarHBondContact O-CG 3.42Å; L781-L785 PolarHBondContact O-N 3.23Å |
| 782 | G | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M778 Q779 R780 L785 H786 S794 | M778-G782 PolarHBondContact O-N 3.11Å; Q779-G782 WeakPolarHBondContact O-CA 3.41Å; Q779-G782 PolarHBondContact O-N 3.04Å; Q779-G782 VanDerWaalsContact O-N 3.15Å; R780-G782 VanDerWaalsContact C-N 3.33Å; R780-G782 PolarHBondContact O-N 2.59Å; G782-L785 PolarHBondContact O-N 3.21Å; G782-H786 WeakPolarHBondContact O-CB 3.37Å; G782-H786 PolarHBondContact O-N 2.93Å; G782-S794 WeakPolarHBondContact O-CB 3.35Å; G782-S794 PolarHBondContact O-OG 3.03Å |
| 783 | L | 95 | Very high | 94.6 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43 | 176 | -72.5 | 171.2 | 0 | 0 | 0 | 112.5 | Q779 R780 L781 L785 H786 Q787 | Q779-L783 HydrophobicContact CG-CD1 4.48Å; Q779-L783 PolarHBondContact O-N 2.92Å; R780-L783 PolarHBondContact O-N 2.96Å; L781-L783 VanDerWaalsContact C-N 3.35Å; L781-L783 PolarHBondContact O-N 3.4Å; L783-L785 PolarHBondContact O-N 3.49Å; L783-H786 WeakPolarHBondContact O-CB 3.49Å; L783-H786 PolarHBondContact O-N 3.3Å; L783-Q787 WeakPolarHBondContact O-CG 3.48Å; L783-Q787 PolarHBondContact O-N 3.04Å |
| 784 | I | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.7 | -68.2 | 178.2 | 0 | 0 | 0 | 110.7 | E752 A760 K761 Y764 R780 L781 H786 Q787 L788 | E752-I784 HydrophobicContact CG-CD1 4.18Å; A760-I784 HydrophobicContact CB-CD1 3.66Å; K761-I784 HydrophobicContact CB-CG2 4.19Å; Y764-I784 HydrophobicContact CD2-CD1 3.74Å; Y764-I784 HydrophobicContact CE2-CD1 3.64Å; R780-I784 WeakPolarHBondContact O-CG1 3.26Å; R780-I784 PolarHBondContact O-N 3.45Å; L781-I784 PolarHBondContact O-N 3.38Å; I784-H786 VanDerWaalsContact C-N 3.28Å; I784-H786 PolarHBondContact O-N 2.73Å; I784-Q787 WeakPolarHBondContact O-CB 3.45Å; I784-Q787 PolarHBondContact O-N 2.64Å; I784-L788 HydrophobicContact CG2-CD1 4.08Å; I784-L788 HydrophobicContact CG2-CG 4.43Å; I784-L788 VanDerWaalsContact O-CG 3.32Å; I784-L788 WeakPolarHBondContact O-CG 3.4Å; I784-L788 PolarHBondContact O-N 3.27Å |
| 785 | L | 94.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 176.4 | -71.4 | 170.6 | 0 | 0 | 0 | 112.2 | L781 G782 L783 L788 Q789 R790 L793 V797 | L781-L785 HydrophobicContact CD1-CD1 4.5Å; L781-L785 HydrophobicContact CD1-CG 4.42Å; L781-L785 HydrophobicContact CG-CD1 4.13Å; L781-L785 WeakPolarHBondContact O-CB 3.37Å; L781-L785 VanDerWaalsContact O-CG 3.25Å; L781-L785 WeakPolarHBondContact O-CG 3.42Å; L781-L785 PolarHBondContact O-N 3.23Å; G782-L785 PolarHBondContact O-N 3.21Å; L783-L785 PolarHBondContact O-N 3.49Å; L785-L788 CarbonylContact O-C 3.56Å; L785-L788 PolarHBondContact O-N 2.66Å; L785-Q789 PolarHBondContact O-N 2.99Å; L785-R790 HydrophobicContact CD2-CB 4.32Å; L785-R790 PolarHBondContact O-N 2.88Å; L785-L793 HydrophobicContact CD1-CB 4.17Å; L785-V797 HydrophobicContact CD1-CG2 4.19Å |
| 786 | H | 94.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 172.6 | 173.8 | -112.7 | 0 | 0 | 0 | 111.4 | G782 L783 I784 L788 Q789 Y791 V818 | G782-H786 WeakPolarHBondContact O-CB 3.37Å; G782-H786 PolarHBondContact O-N 2.93Å; L783-H786 WeakPolarHBondContact O-CB 3.49Å; L783-H786 PolarHBondContact O-N 3.3Å; I784-H786 VanDerWaalsContact C-N 3.28Å; I784-H786 PolarHBondContact O-N 2.73Å; H786-L788 VanDerWaalsContact C-N 3.27Å; H786-L788 PolarHBondContact O-N 2.95Å; H786-Q789 WeakPolarHBondContact O-CA 3.31Å; H786-Q789 PolarHBondContact O-N 2.93Å; H786-Y791 AromaticContact CD2-CD1 3.68Å; H786-Y791 AromaticContact CD2-CE1 3.5Å; H786-Y791 AromaticContact NE2-CE1 3.89Å; H786-V818 HydrophobicContact CB-CG2 3.87Å |
| 787 | Q | 92.1 | Very high | 95 | Very high | 118 Ų | 118 | 52 Ų | 52 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.3 | -36.2 | 174.9 | -69.8 | 174.2 | -1.6 | 0 | 0 | 112.5 | L783 I784 Q789 | L783-Q787 WeakPolarHBondContact O-CG 3.48Å; L783-Q787 PolarHBondContact O-N 3.04Å; I784-Q787 WeakPolarHBondContact O-CB 3.45Å; I784-Q787 PolarHBondContact O-N 2.64Å; Q787-Q789 PolarHBondContact O-N 3.15Å |
| 788 | L | 92.7 | Very high | 95 | Very high | 67 Ų | 67 | 52 Ų | 52 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 8.3 | 174.2 | -64.2 | 176.2 | 0 | 0 | 0 | 113.7 | K761 I784 L785 H786 R790 | K761-L788 HydrophobicContact CD-CD1 4.39Å; I784-L788 HydrophobicContact CG2-CD1 4.08Å; I784-L788 HydrophobicContact CG2-CG 4.43Å; I784-L788 VanDerWaalsContact O-CG 3.32Å; I784-L788 WeakPolarHBondContact O-CG 3.4Å; I784-L788 PolarHBondContact O-N 3.27Å; L785-L788 CarbonylContact O-C 3.56Å; L785-L788 PolarHBondContact O-N 2.66Å; H786-L788 VanDerWaalsContact C-N 3.27Å; H786-L788 PolarHBondContact O-N 2.95Å; L788-R790 HydrophobicContact CB-CG 4.34Å; L788-R790 PolarHBondContact O-N 2.75Å; L788-R790 VanDerWaalsContact O-N 3.15Å |
| 789 | Q | 93.5 | Very high | 94.9 | Very high | 144 Ų | 144 | 57.2 Ų | 57.2 | 67% | 0.673 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 22.4 | -178.6 | -55.8 | -179.2 | -7.5 | 0 | 0 | 114.4 | L785 H786 Q787 Y791 | L785-Q789 PolarHBondContact O-N 2.99Å; H786-Q789 WeakPolarHBondContact O-CA 3.31Å; H786-Q789 PolarHBondContact O-N 2.93Å; Q787-Q789 PolarHBondContact O-N 3.15Å; Q789-Y791 VanDerWaalsContact C-N 3.29Å; Q789-Y791 HydrophobicContact CB-CE2 4.27Å; Q789-Y791 PolarHBondContact O-N 3.18Å |
| 790 | R | 95 | Very high | 94.8 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -91.9 | 60.9 | 176.5 | -61.8 | -175.1 | -176.3 | -165.1 | 0.7 | 110.4 | L785 L788 S792 L793 S794 | L785-R790 HydrophobicContact CD2-CB 4.32Å; L785-R790 PolarHBondContact O-N 2.88Å; L788-R790 HydrophobicContact CB-CG 4.34Å; L788-R790 PolarHBondContact O-N 2.75Å; L788-R790 VanDerWaalsContact O-N 3.15Å; R790-S792 VanDerWaalsContact C-N 3.33Å; R790-S792 PolarHBondContact O-N 3.3Å; R790-L793 HydrophobicContact CB-CD1 4.47Å; R790-L793 PolarHBondContact O-N 3.19Å; R790-S794 PolarHBondContact O-N 2.66Å | ||
| 791 | Y | 94.4 | Very high | 94.7 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | -168.9 | -54.8 | -53.9 | 0 | 0 | 0 | 114.4 | H786 Q789 S794 E795 V818 A821 Q822 | H786-Y791 AromaticContact CD2-CD1 3.68Å; H786-Y791 AromaticContact CD2-CE1 3.5Å; H786-Y791 AromaticContact NE2-CE1 3.89Å; Q789-Y791 VanDerWaalsContact C-N 3.29Å; Q789-Y791 HydrophobicContact CB-CE2 4.27Å; Q789-Y791 PolarHBondContact O-N 3.18Å; Y791-S794 PolarHBondContact O-N 3.05Å; Y791-E795 WeakPolarHBondContact O-CB 3.32Å; Y791-E795 PolarHBondContact O-N 3.04Å; Y791-V818 WeakPolarHBondContact O-CG1 3.41Å; Y791-A821 HydrophobicContact CD1-CB 4.17Å; Y791-A821 HydrophobicContact CE1-CB 3.75Å; Y791-Q822 HydrophobicContact CG-CG 4.23Å; Y791-Q822 PolarHBondContact O-NE2 2.99Å |
| 792 | S | 93.8 | Very high | 94.6 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | -179.7 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | R790 K796 | R790-S792 VanDerWaalsContact C-N 3.33Å; R790-S792 PolarHBondContact O-N 3.3Å; S792-K796 PolarHBondContact O-N 3Å; S792-K796 VanDerWaalsContact O-N 3.12Å |
| 793 | L | 94.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 45% | 0.45 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 175.1 | -69 | 174.9 | 0 | 0 | 0 | 111.1 | L785 R790 K796 V797 | L785-L793 HydrophobicContact CD1-CB 4.17Å; R790-L793 HydrophobicContact CB-CD1 4.47Å; R790-L793 PolarHBondContact O-N 3.19Å; L793-K796 PolarHBondContact O-N 3.34Å; L793-V797 WeakPolarHBondContact O-CG2 3.34Å; L793-V797 PolarHBondContact O-N 3.49Å |
| 794 | S | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | G782 R790 Y791 K796 V797 L798 V818 | G782-S794 WeakPolarHBondContact O-CB 3.35Å; G782-S794 PolarHBondContact O-OG 3.03Å; R790-S794 PolarHBondContact O-N 2.66Å; Y791-S794 PolarHBondContact O-N 3.05Å; S794-K796 VanDerWaalsContact C-N 3.32Å; S794-K796 PolarHBondContact O-N 3.29Å; S794-V797 PolarHBondContact O-N 2.83Å; S794-L798 WeakPolarHBondContact O-CB 3.45Å; S794-L798 VanDerWaalsContact O-CG 3.29Å; S794-L798 WeakPolarHBondContact O-CG 3.24Å; S794-L798 PolarHBondContact O-N 3.15Å; S794-V818 WeakPolarHBondContact OG-CG2 3.35Å |
| 795 | E | 96.3 | Very high | 94 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 177.1 | -173.5 | -172.5 | 168.5 | 0 | 0 | 111.6 | Y791 L798 R799 L815 V818 L819 Q822 | Y791-E795 WeakPolarHBondContact O-CB 3.32Å; Y791-E795 PolarHBondContact O-N 3.04Å; E795-L798 PolarHBondContact O-N 3.48Å; E795-R799 HydrophobicContact CG-CG 4.34Å; E795-R799 WeakPolarHBondContact O-CB 3.2Å; E795-R799 WeakPolarHBondContact O-CG 3.48Å; E795-R799 PolarHBondContact O-N 3.36Å; E795-R799 IonicContact OE1-CZ 2.73Å; E795-R799 VanDerWaalsContact OE1-CZ 3.29Å; E795-R799 IonicContact OE1-NE 3.58Å; E795-R799 PolarHBondContact OE1-NE 3.44Å; E795-R799 IonicContact OE1-NH2 2.82Å; E795-R799 PolarHBondContact OE1-NH2 2.98Å; E795-L815 HydrophobicContact CG-CD1 3.84Å; E795-V818 HydrophobicContact CB-CG1 4.09Å; E795-L819 HydrophobicContact CG-CD2 4.5Å; E795-Q822 PolarHBondContact OE2-NE2 2.93Å; E795-Q822 PolarHBondContact OE2-OE1 3.31Å |
| 796 | K | 95.8 | Very high | 93.9 | Very high | 133 Ų | 133 | 65.3 Ų | 65.3 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.8 | -51.6 | 177.9 | -175.9 | -176.1 | 175 | -174.7 | 0 | 111.5 | S792 L793 S794 L798 R799 D800 | S792-K796 PolarHBondContact O-N 3Å; S792-K796 VanDerWaalsContact O-N 3.12Å; L793-K796 PolarHBondContact O-N 3.34Å; S794-K796 VanDerWaalsContact C-N 3.32Å; S794-K796 PolarHBondContact O-N 3.29Å; K796-L798 VanDerWaalsContact C-N 3.29Å; K796-L798 PolarHBondContact O-N 2.85Å; K796-R799 PolarHBondContact O-N 3.45Å; K796-D800 VanDerWaalsContact O-CG 3.27Å; K796-D800 PolarHBondContact O-N 2.95Å |
| 797 | V | 95.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | M778 L785 L793 S794 D800 A801 | M778-V797 HydrophobicContact CB-CG1 3.9Å; M778-V797 WeakPolarHBondContact CE-O 3.17Å; M778-V797 VanDerWaalsContact O-CG1 3.31Å; M778-V797 WeakPolarHBondContact O-CG1 3.44Å; L785-V797 HydrophobicContact CD1-CG2 4.19Å; L793-V797 WeakPolarHBondContact O-CG2 3.34Å; L793-V797 PolarHBondContact O-N 3.49Å; S794-V797 PolarHBondContact O-N 2.83Å; V797-D800 PolarHBondContact O-N 3.33Å; V797-A801 WeakPolarHBondContact O-CB 3.33Å; V797-A801 PolarHBondContact O-N 3.07Å |
| 798 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -37.7 | 178.9 | -68.4 | 169.5 | 0 | 0 | 0 | 112.4 | S794 E795 K796 A801 V802 V811 L815 V818 | S794-L798 WeakPolarHBondContact O-CB 3.45Å; S794-L798 VanDerWaalsContact O-CG 3.29Å; S794-L798 WeakPolarHBondContact O-CG 3.24Å; S794-L798 PolarHBondContact O-N 3.15Å; E795-L798 PolarHBondContact O-N 3.48Å; K796-L798 VanDerWaalsContact C-N 3.29Å; K796-L798 PolarHBondContact O-N 2.85Å; L798-A801 WeakPolarHBondContact O-CB 3.48Å; L798-A801 PolarHBondContact O-N 2.99Å; L798-V802 WeakPolarHBondContact O-CG2 3.35Å; L798-V802 PolarHBondContact O-N 3.38Å; L798-V811 HydrophobicContact CD2-CG1 4.19Å; L798-V811 WeakPolarHBondContact O-CG1 3.41Å; L798-L815 HydrophobicContact CB-CB 4.29Å; L798-L815 HydrophobicContact CB-CD1 4.06Å; L798-L815 HydrophobicContact CD1-CB 4.4Å; L798-V818 HydrophobicContact CD1-CG2 3.82Å |
| 799 | R | 94.9 | Very high | 94.1 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 172.5 | -75.7 | -171.8 | -175.3 | -89.9 | 0.5 | 111.9 | E795 K796 A801 V802 Q803 L815 | E795-R799 HydrophobicContact CG-CG 4.34Å; E795-R799 WeakPolarHBondContact O-CB 3.2Å; E795-R799 WeakPolarHBondContact O-CG 3.48Å; E795-R799 PolarHBondContact O-N 3.36Å; E795-R799 IonicContact OE1-CZ 2.73Å; E795-R799 VanDerWaalsContact OE1-CZ 3.29Å; E795-R799 IonicContact OE1-NE 3.58Å; E795-R799 PolarHBondContact OE1-NE 3.44Å; E795-R799 IonicContact OE1-NH2 2.82Å; E795-R799 PolarHBondContact OE1-NH2 2.98Å; K796-R799 PolarHBondContact O-N 3.45Å; R799-A801 VanDerWaalsContact C-N 3.28Å; R799-A801 PolarHBondContact O-N 3.11Å; R799-V802 PolarHBondContact O-N 3.37Å; R799-Q803 PolarHBondContact O-N 3.28Å; R799-Q803 VanDerWaalsContact O-N 3.08Å; R799-L815 HydrophobicContact CG-CD1 4.34Å; R799-L815 HydrophobicContact CG-CD2 4.42Å |
| 800 | D | 93.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 173 | -67.7 | -18 | 0 | 0 | 0 | 110 | M778 K796 V797 V802 Q803 V804 | M778-D800 HydrophobicContact CE-CB 3.45Å; M778-D800 VanDerWaalsContact CE-CB 3.45Å; K796-D800 VanDerWaalsContact O-CG 3.27Å; K796-D800 PolarHBondContact O-N 2.95Å; V797-D800 PolarHBondContact O-N 3.33Å; D800-V802 PolarHBondContact O-N 3.26Å; D800-Q803 WeakPolarHBondContact O-CB 3.39Å; D800-Q803 PolarHBondContact O-N 3.14Å; D800-Q803 VanDerWaalsContact O-N 3.17Å; D800-V804 WeakPolarHBondContact O-CG2 3.36Å; D800-V804 PolarHBondContact O-N 3.31Å; D800-V804 VanDerWaalsContact O-N 3.16Å |
| 801 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M778 V797 L798 R799 Q803 V804 N805 V811 | M778-A801 HydrophobicContact CB-CB 3.75Å; M778-A801 HydrophobicContact CE-CB 4.01Å; M778-A801 VanDerWaalsContact CE-N 3.3Å; M778-A801 HydrophobicContact CG-CB 4.47Å; M778-A801 HydrophobicContact SD-CB 3.96Å; V797-A801 WeakPolarHBondContact O-CB 3.33Å; V797-A801 PolarHBondContact O-N 3.07Å; L798-A801 WeakPolarHBondContact O-CB 3.48Å; L798-A801 PolarHBondContact O-N 2.99Å; R799-A801 VanDerWaalsContact C-N 3.28Å; R799-A801 PolarHBondContact O-N 3.11Å; A801-Q803 VanDerWaalsContact C-N 3.34Å; A801-V804 PolarHBondContact O-N 2.95Å; A801-N805 PolarHBondContact O-N 3.26Å; A801-V811 HydrophobicContact CB-CG1 3.78Å; A801-V811 HydrophobicContact CB-CG2 4.13Å |
| 802 | V | 93.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | L798 R799 D800 V804 N805 S806 V811 W812 L815 | L798-V802 WeakPolarHBondContact O-CG2 3.35Å; L798-V802 PolarHBondContact O-N 3.38Å; R799-V802 PolarHBondContact O-N 3.37Å; D800-V802 PolarHBondContact O-N 3.26Å; V802-V804 VanDerWaalsContact C-N 3.33Å; V802-N805 CarbonylContact O-C 3.33Å; V802-S806 WeakPolarHBondContact O-CA 3.47Å; V802-S806 PolarHBondContact O-N 3.15Å; V802-S806 VanDerWaalsContact O-N 3.11Å; V802-V811 HydrophobicContact CG2-CG1 3.64Å; V802-W812 HydrophobicContact CG1-CH2 3.86Å; V802-W812 HydrophobicContact CG1-CZ2 3.44Å; V802-W812 VanDerWaalsContact CG1-CZ2 3.44Å; V802-W812 HydrophobicContact CG2-CD2 4.28Å; V802-W812 HydrophobicContact CG2-CH2 4.5Å; V802-W812 HydrophobicContact CG2-CZ2 4.22Å; V802-L815 HydrophobicContact CG2-CD2 4.41Å |
| 803 | Q | 91.7 | Very high | 94.5 | Very high | 80 Ų | 80 | 46 Ų | 46 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 175.3 | -66.8 | -59 | -36.5 | 0 | 0 | 111.7 | Q503 R799 D800 A801 | Q503-Q803 PolarHBondContact NE2-O 3.41Å; R799-Q803 PolarHBondContact O-N 3.28Å; R799-Q803 VanDerWaalsContact O-N 3.08Å; D800-Q803 WeakPolarHBondContact O-CB 3.39Å; D800-Q803 PolarHBondContact O-N 3.14Å; D800-Q803 VanDerWaalsContact O-N 3.17Å; A801-Q803 VanDerWaalsContact C-N 3.34Å |
| 804 | V | 91 | Very high | 94.6 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.8 | -45.6 | 177 | 178 | 0 | 0 | 0 | 0 | 111.4 | T773 V775 D800 A801 V802 | T773-V804 HydrophobicContact CG2-CG2 4.19Å; T773-V804 WeakPolarHBondContact O-CG1 3.25Å; V775-V804 HydrophobicContact CG2-CB 4.01Å; V775-V804 HydrophobicContact CG2-CG1 3.53Å; D800-V804 WeakPolarHBondContact O-CG2 3.36Å; D800-V804 PolarHBondContact O-N 3.31Å; D800-V804 VanDerWaalsContact O-N 3.16Å; A801-V804 PolarHBondContact O-N 2.95Å; V802-V804 VanDerWaalsContact C-N 3.33Å |
| 805 | N | 90.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | trans | -143.5 | 98.1 | 177.4 | -177.1 | 5.2 | 0 | 0 | 0 | 111.6 | V775 A801 V802 T807 S808 | V775-N805 HydrophobicContact CG1-CB 4.34Å; V775-N805 HydrophobicContact CG2-CB 3.73Å; A801-N805 PolarHBondContact O-N 3.26Å; V802-N805 CarbonylContact O-C 3.33Å; N805-T807 PolarHBondContact O-N 2.87Å; N805-T807 PolarHBondContact OD1-N 3.37Å; N805-T807 PolarHBondContact OD1-OG1 3.04Å; N805-S808 PolarHBondContact O-N 3.36Å | ||
| 806 | S | 91.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.1 | 178.5 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | V802 W812 L838 | V802-S806 WeakPolarHBondContact O-CA 3.47Å; V802-S806 PolarHBondContact O-N 3.15Å; V802-S806 VanDerWaalsContact O-N 3.11Å; S806-W812 PolarHBondContact O-NE1 3.36Å; S806-L838 WeakPolarHBondContact O-CD1 3.21Å |
| 807 | T | 92.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 20% | 0.202 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.7 | -177.9 | 73.9 | 0 | 0 | 0 | 0 | 113.9 | R539 N805 H809 | R539-T807 PolarHBondContact NH2-O 3.4Å; R539-T807 PolarHBondContact NH2-OG1 2.93Å; N805-T807 PolarHBondContact O-N 2.87Å; N805-T807 PolarHBondContact OD1-N 3.37Å; N805-T807 PolarHBondContact OD1-OG1 3.04Å; T807-H809 PolarHBondContact O-N 2.9Å |
| 808 | S | 94.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | trans | -82.5 | 100.5 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | N805 D810 V811 W812 | N805-S808 PolarHBondContact O-N 3.36Å; S808-D810 PolarHBondContact O-N 2.93Å; S808-V811 PolarHBondContact O-N 3.28Å; S808-V811 WeakPolarHBondContact OG-CG2 3.47Å; S808-W812 VanDerWaalsContact O-CD1 3.22Å; S808-W812 PolarHBondContact O-N 3.18Å | ||
| 809 | H | 95.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | 176.6 | 67.6 | -83.4 | 0 | 0 | 0 | 112.1 | T807 V811 W812 N813 A835 L838 E839 | T807-H809 PolarHBondContact O-N 2.9Å; H809-V811 VanDerWaalsContact C-N 3.33Å; H809-V811 PolarHBondContact O-N 3.47Å; H809-W812 PolarHBondContact O-N 3.25Å; H809-N813 PolarHBondContact O-N 3.48Å; H809-A835 HydrophobicContact CB-CB 4.37Å; H809-A835 VanDerWaalsContact CB-O 3.25Å; H809-A835 WeakPolarHBondContact CB-O 3.41Å; H809-A835 WeakPolarHBondContact O-CB 3.46Å; H809-L838 HydrophobicContact CB-CB 3.82Å; H809-E839 HydrophobicContact CB-CB 4.03Å; H809-E839 IonicContact CD2-OE2 3.89Å; H809-E839 PolarHBondContact CD2-OE2 2.83Å; H809-E839 IonicContact CE1-OE2 3.31Å; H809-E839 PolarHBondContact CE1-OE2 3.05Å; H809-E839 IonicContact CG-OE2 2.97Å; H809-E839 IonicContact ND1-OE2 2.86Å; H809-E839 PolarHBondContact ND1-OE2 3.39Å; H809-E839 VanDerWaalsContact ND1-OE2 3.12Å; H809-E839 IonicContact NE2-OE2 2.79Å; H809-E839 PolarHBondContact NE2-OE2 2.89Å |
| 810 | D | 95.2 | Very high | 94.6 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.9 | -45.7 | 175.6 | -81.5 | -46.4 | 0 | 0 | 0 | 113.3 | S808 N813 S814 | S808-D810 PolarHBondContact O-N 2.93Å; D810-N813 PolarHBondContact O-N 3.32Å; D810-S814 PolarHBondContact O-N 3.24Å; D810-S814 PolarHBondContact O-OG 3.07Å |
| 811 | V | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | V775 Q779 L798 A801 V802 S808 H809 N813 S814 L815 | V775-V811 HydrophobicContact CG1-CG2 3.7Å; Q779-V811 HydrophobicContact CB-CG2 4.04Å; Q779-V811 HydrophobicContact CG-CG2 4.27Å; L798-V811 HydrophobicContact CD2-CG1 4.19Å; L798-V811 WeakPolarHBondContact O-CG1 3.41Å; A801-V811 HydrophobicContact CB-CG1 3.78Å; A801-V811 HydrophobicContact CB-CG2 4.13Å; V802-V811 HydrophobicContact CG2-CG1 3.64Å; S808-V811 PolarHBondContact O-N 3.28Å; S808-V811 WeakPolarHBondContact OG-CG2 3.47Å; H809-V811 VanDerWaalsContact C-N 3.33Å; H809-V811 PolarHBondContact O-N 3.47Å; V811-N813 VanDerWaalsContact C-N 3.32Å; V811-N813 PolarHBondContact O-N 2.88Å; V811-S814 PolarHBondContact O-N 3.48Å; V811-L815 WeakPolarHBondContact O-CB 3.45Å; V811-L815 PolarHBondContact O-N 3.05Å |
| 812 | W | 97.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 176 | -76.7 | 110.2 | 0 | 0 | 0 | 112.1 | V802 S806 S808 H809 L815 G816 C831 T834 A835 L838 | V802-W812 HydrophobicContact CG1-CH2 3.86Å; V802-W812 HydrophobicContact CG1-CZ2 3.44Å; V802-W812 VanDerWaalsContact CG1-CZ2 3.44Å; V802-W812 HydrophobicContact CG2-CD2 4.28Å; V802-W812 HydrophobicContact CG2-CH2 4.5Å; V802-W812 HydrophobicContact CG2-CZ2 4.22Å; S806-W812 PolarHBondContact O-NE1 3.36Å; S808-W812 VanDerWaalsContact O-CD1 3.22Å; S808-W812 PolarHBondContact O-N 3.18Å; H809-W812 PolarHBondContact O-N 3.25Å; W812-L815 HydrophobicContact CE3-CD2 4.18Å; W812-L815 HydrophobicContact CZ3-CD2 4.16Å; W812-L815 PolarHBondContact O-N 3.4Å; W812-G816 PolarHBondContact O-N 2.99Å; W812-C831 HydrophobicContact CE3-CB 4.13Å; W812-C831 WeakPolarHBondContact O-CB 3.08Å; W812-T834 HydrophobicContact CD2-CG2 3.9Å; W812-T834 HydrophobicContact CE3-CG2 4.46Å; W812-T834 HydrophobicContact CG-CG2 4.05Å; W812-T834 HydrophobicContact CZ2-CG2 4.31Å; W812-A835 HydrophobicContact CB-CB 3.87Å; W812-L838 VanDerWaalsContact CD1-CD1 3.43Å; W812-L838 HydrophobicContact CG-CD1 4.47Å |
| 813 | N | 96.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 175.2 | -174.3 | 60.5 | 0 | 0 | 0 | 111.3 | H809 D810 V811 L815 G816 E817 F832 A835 | H809-N813 PolarHBondContact O-N 3.48Å; D810-N813 PolarHBondContact O-N 3.32Å; V811-N813 VanDerWaalsContact C-N 3.32Å; V811-N813 PolarHBondContact O-N 2.88Å; N813-L815 VanDerWaalsContact C-N 3.28Å; N813-L815 PolarHBondContact O-N 3.34Å; N813-G816 PolarHBondContact O-N 3.24Å; N813-G816 VanDerWaalsContact O-N 3.12Å; N813-E817 PolarHBondContact ND2-OE1 3.08Å; N813-E817 PolarHBondContact O-N 3.25Å; N813-F832 WeakPolarHBondContact O-CE1 3.33Å; N813-F832 WeakPolarHBondContact OD1-CD1 3.28Å; N813-F832 WeakPolarHBondContact OD1-CE1 3.41Å; N813-A835 HydrophobicContact CB-CB 4.16Å |
| 814 | S | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | D810 V811 E817 V818 | D810-S814 PolarHBondContact O-N 3.24Å; D810-S814 PolarHBondContact O-OG 3.07Å; V811-S814 PolarHBondContact O-N 3.48Å; S814-E817 PolarHBondContact O-N 3.29Å; S814-V818 VanDerWaalsContact O-CG2 3.29Å; S814-V818 WeakPolarHBondContact O-CG2 3.29Å; S814-V818 PolarHBondContact O-N 3.45Å; S814-V818 VanDerWaalsContact O-N 3.16Å |
| 815 | L | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 175.6 | -178.2 | 61.3 | 0 | 0 | 0 | 111.3 | E795 L798 R799 V802 V811 W812 N813 V818 L819 | E795-L815 HydrophobicContact CG-CD1 3.84Å; L798-L815 HydrophobicContact CB-CB 4.29Å; L798-L815 HydrophobicContact CB-CD1 4.06Å; L798-L815 HydrophobicContact CD1-CB 4.4Å; R799-L815 HydrophobicContact CG-CD1 4.34Å; R799-L815 HydrophobicContact CG-CD2 4.42Å; V802-L815 HydrophobicContact CG2-CD2 4.41Å; V811-L815 WeakPolarHBondContact O-CB 3.45Å; V811-L815 PolarHBondContact O-N 3.05Å; W812-L815 HydrophobicContact CE3-CD2 4.18Å; W812-L815 HydrophobicContact CZ3-CD2 4.16Å; W812-L815 PolarHBondContact O-N 3.4Å; N813-L815 VanDerWaalsContact C-N 3.28Å; N813-L815 PolarHBondContact O-N 3.34Å; L815-V818 PolarHBondContact O-N 3.27Å; L815-L819 HydrophobicContact CD1-CD1 4.26Å; L815-L819 HydrophobicContact CD1-CG 4.3Å; L815-L819 HydrophobicContact CG-CD1 3.97Å; L815-L819 HydrophobicContact CG-CG 4.44Å; L815-L819 WeakPolarHBondContact O-CB 3.48Å; L815-L819 VanDerWaalsContact O-CG 3.27Å; L815-L819 WeakPolarHBondContact O-CG 3.38Å; L815-L819 PolarHBondContact O-N 3.43Å |
| 816 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | W812 N813 V818 L819 Q820 A828 | W812-G816 PolarHBondContact O-N 2.99Å; N813-G816 PolarHBondContact O-N 3.24Å; N813-G816 VanDerWaalsContact O-N 3.12Å; G816-V818 PolarHBondContact O-N 3.16Å; G816-L819 PolarHBondContact O-N 2.84Å; G816-Q820 VanDerWaalsContact O-CB 3.3Å; G816-Q820 WeakPolarHBondContact O-CB 3.43Å; G816-Q820 PolarHBondContact O-N 2.91Å; G816-A828 WeakPolarHBondContact O-CB 3.41Å |
| 817 | E | 95.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 176 | -70.4 | 172.7 | -165.3 | 0 | 0 | 111.8 | N813 S814 Q820 A821 F832 | N813-E817 PolarHBondContact ND2-OE1 3.08Å; N813-E817 PolarHBondContact O-N 3.25Å; S814-E817 PolarHBondContact O-N 3.29Å; E817-Q820 PolarHBondContact O-N 3.11Å; E817-A821 WeakPolarHBondContact O-CB 3.42Å; E817-A821 PolarHBondContact O-N 3.09Å; E817-F832 HydrophobicContact CG-CE1 4.21Å; E817-F832 HydrophobicContact CG-CZ 4.29Å |
| 818 | V | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | H786 Y791 S794 E795 L798 S814 L815 G816 Q820 A821 Q822 | H786-V818 HydrophobicContact CB-CG2 3.87Å; Y791-V818 WeakPolarHBondContact O-CG1 3.41Å; S794-V818 WeakPolarHBondContact OG-CG2 3.35Å; E795-V818 HydrophobicContact CB-CG1 4.09Å; L798-V818 HydrophobicContact CD1-CG2 3.82Å; S814-V818 VanDerWaalsContact O-CG2 3.29Å; S814-V818 WeakPolarHBondContact O-CG2 3.29Å; S814-V818 PolarHBondContact O-N 3.45Å; S814-V818 VanDerWaalsContact O-N 3.16Å; L815-V818 PolarHBondContact O-N 3.27Å; G816-V818 PolarHBondContact O-N 3.16Å; V818-Q820 VanDerWaalsContact C-N 3.31Å; V818-Q820 PolarHBondContact O-N 3.01Å; V818-A821 PolarHBondContact O-N 2.91Å; V818-Q822 WeakPolarHBondContact O-CG 3.32Å; V818-Q822 PolarHBondContact O-N 3.14Å |
| 819 | L | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 178.1 | -72 | 171.3 | 0 | 0 | 0 | 111.9 | E795 L815 G816 Q822 G823 N824 A827 A828 | E795-L819 HydrophobicContact CG-CD2 4.5Å; L815-L819 HydrophobicContact CD1-CD1 4.26Å; L815-L819 HydrophobicContact CD1-CG 4.3Å; L815-L819 HydrophobicContact CG-CD1 3.97Å; L815-L819 HydrophobicContact CG-CG 4.44Å; L815-L819 WeakPolarHBondContact O-CB 3.48Å; L815-L819 VanDerWaalsContact O-CG 3.27Å; L815-L819 WeakPolarHBondContact O-CG 3.38Å; L815-L819 PolarHBondContact O-N 3.43Å; G816-L819 PolarHBondContact O-N 2.84Å; L819-Q822 PolarHBondContact O-N 3.38Å; L819-G823 PolarHBondContact O-N 3.13Å; L819-N824 PolarHBondContact O-N 3.28Å; L819-A827 HydrophobicContact CD1-CB 3.94Å; L819-A828 HydrophobicContact CB-CB 4.05Å |
| 820 | Q | 95 | Very high | 95.1 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 173.6 | -173.2 | 176.9 | 17.5 | 0 | 0 | 111 | G816 E817 V818 Q822 G823 A828 | G816-Q820 VanDerWaalsContact O-CB 3.3Å; G816-Q820 WeakPolarHBondContact O-CB 3.43Å; G816-Q820 PolarHBondContact O-N 2.91Å; E817-Q820 PolarHBondContact O-N 3.11Å; V818-Q820 VanDerWaalsContact C-N 3.31Å; V818-Q820 PolarHBondContact O-N 3.01Å; Q820-Q822 VanDerWaalsContact C-N 3.26Å; Q820-Q822 PolarHBondContact O-N 2.93Å; Q820-G823 PolarHBondContact O-N 2.97Å; Q820-A828 HydrophobicContact CB-CB 3.96Å |
| 821 | A | 93.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -30.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y791 E817 V818 G823 | Y791-A821 HydrophobicContact CD1-CB 4.17Å; Y791-A821 HydrophobicContact CE1-CB 3.75Å; E817-A821 WeakPolarHBondContact O-CB 3.42Å; E817-A821 PolarHBondContact O-N 3.09Å; V818-A821 PolarHBondContact O-N 2.91Å; A821-G823 VanDerWaalsContact C-N 3.27Å; A821-G823 PolarHBondContact O-N 2.89Å |
| 822 | Q | 93.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8 | 172.4 | -68.1 | 177.6 | -1.2 | 0 | 0 | 113.9 | Y791 E795 V818 L819 Q820 | Y791-Q822 HydrophobicContact CG-CG 4.23Å; Y791-Q822 PolarHBondContact O-NE2 2.99Å; E795-Q822 PolarHBondContact OE2-NE2 2.93Å; E795-Q822 PolarHBondContact OE2-OE1 3.31Å; V818-Q822 WeakPolarHBondContact O-CG 3.32Å; V818-Q822 PolarHBondContact O-N 3.14Å; L819-Q822 PolarHBondContact O-N 3.38Å; Q820-Q822 VanDerWaalsContact C-N 3.26Å; Q820-Q822 PolarHBondContact O-N 2.93Å |
| 823 | G | 92.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 50.4 Ų | 50.4 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L819 Q820 A821 A825 | L819-G823 PolarHBondContact O-N 3.13Å; Q820-G823 PolarHBondContact O-N 2.97Å; A821-G823 VanDerWaalsContact C-N 3.27Å; A821-G823 PolarHBondContact O-N 2.89Å; G823-A825 PolarHBondContact O-N 3.07Å |
| 824 | N | 94.2 | Very high | 95.1 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | trans | -89.7 | 70.9 | 175.9 | -168.8 | -7.4 | 0 | 0 | 0 | 111.3 | L819 A826 A827 A828 | L819-N824 PolarHBondContact O-N 3.28Å; N824-A826 VanDerWaalsContact C-N 3.32Å; N824-A826 PolarHBondContact O-N 2.95Å; N824-A827 WeakPolarHBondContact ND2-CB 3Å; N824-A827 PolarHBondContact O-N 3.12Å; N824-A827 WeakPolarHBondContact OD1-CB 3.42Å; N824-A827 PolarHBondContact OD1-N 3.42Å; N824-A828 WeakPolarHBondContact O-CB 3.45Å; N824-A828 PolarHBondContact O-N 3.08Å; N824-A828 VanDerWaalsContact O-N 3.08Å | ||
| 825 | A | 92.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G823 A828 T829 | G823-A825 PolarHBondContact O-N 3.07Å; A825-A828 PolarHBondContact O-N 3.45Å; A825-T829 WeakPolarHBondContact O-CG2 3.39Å; A825-T829 PolarHBondContact O-N 2.93Å; A825-T829 PolarHBondContact O-OG1 2.83Å |
| 826 | A | 93.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.9 | -50 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | N824 A828 T829 E830 | N824-A826 VanDerWaalsContact C-N 3.32Å; N824-A826 PolarHBondContact O-N 2.95Å; A826-A828 VanDerWaalsContact C-N 3.29Å; A826-A828 PolarHBondContact O-N 3.19Å; A826-T829 PolarHBondContact O-N 3.2Å; A826-T829 PolarHBondContact O-OG1 2.95Å; A826-E830 PolarHBondContact O-N 2.62Å; A826-E830 VanDerWaalsContact O-N 3.15Å |
| 827 | A | 94.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L819 N824 E830 C831 | L819-A827 HydrophobicContact CD1-CB 3.94Å; N824-A827 WeakPolarHBondContact ND2-CB 3Å; N824-A827 PolarHBondContact O-N 3.12Å; N824-A827 WeakPolarHBondContact OD1-CB 3.42Å; N824-A827 PolarHBondContact OD1-N 3.42Å; A827-E830 PolarHBondContact O-N 3.05Å; A827-C831 PolarHBondContact O-N 3.15Å; A827-C831 PolarHBondContact O-SG 3.24Å |
| 828 | A | 94.9 | Very high | 95 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G816 L819 Q820 N824 A825 A826 E830 C831 F832 | G816-A828 WeakPolarHBondContact O-CB 3.41Å; L819-A828 HydrophobicContact CB-CB 4.05Å; Q820-A828 HydrophobicContact CB-CB 3.96Å; N824-A828 WeakPolarHBondContact O-CB 3.45Å; N824-A828 PolarHBondContact O-N 3.08Å; N824-A828 VanDerWaalsContact O-N 3.08Å; A825-A828 PolarHBondContact O-N 3.45Å; A826-A828 VanDerWaalsContact C-N 3.29Å; A826-A828 PolarHBondContact O-N 3.19Å; A828-E830 VanDerWaalsContact C-N 3.32Å; A828-E830 PolarHBondContact O-N 3.39Å; A828-C831 WeakPolarHBondContact O-CB 3.36Å; A828-C831 PolarHBondContact O-N 2.91Å; A828-C831 VanDerWaalsContact O-N 3.17Å; A828-F832 HydrophobicContact CB-CE2 4.1Å; A828-F832 WeakPolarHBondContact O-CD2 3.34Å; A828-F832 WeakPolarHBondContact O-CG 3.25Å; A828-F832 PolarHBondContact O-N 3.03Å |
| 829 | T | 95.6 | Very high | 95 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | A825 A826 F832 L833 | A825-T829 WeakPolarHBondContact O-CG2 3.39Å; A825-T829 PolarHBondContact O-N 2.93Å; A825-T829 PolarHBondContact O-OG1 2.83Å; A826-T829 PolarHBondContact O-N 3.2Å; A826-T829 PolarHBondContact O-OG1 2.95Å; T829-F832 PolarHBondContact O-N 3.14Å; T829-L833 VanDerWaalsContact O-CG 3.3Å; T829-L833 WeakPolarHBondContact O-CG 3.43Å; T829-L833 PolarHBondContact O-N 3.42Å |
| 830 | E | 96 | Very high | 95 | Very high | 134 Ų | 134 | 66.3 Ų | 66.3 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 174.9 | -171.7 | -178.4 | 179.5 | 0 | 0 | 111.7 | A826 A827 A828 L833 T834 | A826-E830 PolarHBondContact O-N 2.62Å; A826-E830 VanDerWaalsContact O-N 3.15Å; A827-E830 PolarHBondContact O-N 3.05Å; A828-E830 VanDerWaalsContact C-N 3.32Å; A828-E830 PolarHBondContact O-N 3.39Å; E830-L833 PolarHBondContact O-N 2.91Å; E830-T834 WeakPolarHBondContact O-CB 3.24Å; E830-T834 PolarHBondContact O-N 3.34Å; E830-T834 PolarHBondContact O-OG1 3.38Å |
| 831 | C | 96.3 | Very high | 95 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.054 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 112 | W812 A827 A828 T834 A835 | W812-C831 HydrophobicContact CE3-CB 4.13Å; W812-C831 WeakPolarHBondContact O-CB 3.08Å; A827-C831 PolarHBondContact O-N 3.15Å; A827-C831 PolarHBondContact O-SG 3.24Å; A828-C831 WeakPolarHBondContact O-CB 3.36Å; A828-C831 PolarHBondContact O-N 2.91Å; A828-C831 VanDerWaalsContact O-N 3.17Å; C831-T834 PolarHBondContact O-N 3.36Å; C831-A835 WeakPolarHBondContact O-CB 3.34Å; C831-A835 PolarHBondContact O-N 3.39Å |
| 832 | F | 96.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 177.7 | -65.4 | -46.9 | 0 | 0 | 0 | 112.5 | N813 E817 A828 T829 A835 L836 | N813-F832 WeakPolarHBondContact O-CE1 3.33Å; N813-F832 WeakPolarHBondContact OD1-CD1 3.28Å; N813-F832 WeakPolarHBondContact OD1-CE1 3.41Å; E817-F832 HydrophobicContact CG-CE1 4.21Å; E817-F832 HydrophobicContact CG-CZ 4.29Å; A828-F832 HydrophobicContact CB-CE2 4.1Å; A828-F832 WeakPolarHBondContact O-CD2 3.34Å; A828-F832 WeakPolarHBondContact O-CG 3.25Å; A828-F832 PolarHBondContact O-N 3.03Å; T829-F832 PolarHBondContact O-N 3.14Å; F832-A835 PolarHBondContact O-N 3.37Å; F832-L836 WeakPolarHBondContact O-CG 3.49Å; F832-L836 PolarHBondContact O-N 2.78Å |
| 833 | L | 96.6 | Very high | 95.2 | Very high | 107 Ų | 107 | 57 Ų | 57 | 56% | 0.56 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 174.2 | -72.5 | 172.3 | 0 | 0 | 0 | 111.1 | T829 E830 A835 L836 E837 | T829-L833 VanDerWaalsContact O-CG 3.3Å; T829-L833 WeakPolarHBondContact O-CG 3.43Å; T829-L833 PolarHBondContact O-N 3.42Å; E830-L833 PolarHBondContact O-N 2.91Å; L833-A835 VanDerWaalsContact C-N 3.3Å; L833-A835 PolarHBondContact O-N 3.5Å; L833-L836 PolarHBondContact O-N 3.2Å; L833-E837 WeakPolarHBondContact O-CG 3.37Å; L833-E837 PolarHBondContact O-N 3.13Å |
| 834 | T | 95.8 | Very high | 95.4 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 175.9 | -55 | 0 | 0 | 0 | 0 | 111.5 | W812 E830 C831 E837 L838 | W812-T834 HydrophobicContact CD2-CG2 3.9Å; W812-T834 HydrophobicContact CE3-CG2 4.46Å; W812-T834 HydrophobicContact CG-CG2 4.05Å; W812-T834 HydrophobicContact CZ2-CG2 4.31Å; E830-T834 WeakPolarHBondContact O-CB 3.24Å; E830-T834 PolarHBondContact O-N 3.34Å; E830-T834 PolarHBondContact O-OG1 3.38Å; C831-T834 PolarHBondContact O-N 3.36Å; T834-E837 PolarHBondContact O-N 3.13Å; T834-L838 HydrophobicContact CG2-CD1 3.9Å; T834-L838 HydrophobicContact CG2-CG 4.46Å; T834-L838 WeakPolarHBondContact O-CB 3.49Å; T834-L838 VanDerWaalsContact O-CG 3.28Å; T834-L838 WeakPolarHBondContact O-CG 3.46Å; T834-L838 PolarHBondContact O-N 3.12Å |
| 835 | A | 96.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H809 W812 N813 C831 F832 L833 L838 E839 | H809-A835 HydrophobicContact CB-CB 4.37Å; H809-A835 VanDerWaalsContact CB-O 3.25Å; H809-A835 WeakPolarHBondContact CB-O 3.41Å; H809-A835 WeakPolarHBondContact O-CB 3.46Å; W812-A835 HydrophobicContact CB-CB 3.87Å; N813-A835 HydrophobicContact CB-CB 4.16Å; C831-A835 WeakPolarHBondContact O-CB 3.34Å; C831-A835 PolarHBondContact O-N 3.39Å; F832-A835 PolarHBondContact O-N 3.37Å; L833-A835 VanDerWaalsContact C-N 3.3Å; L833-A835 PolarHBondContact O-N 3.5Å; A835-L838 PolarHBondContact O-N 3.36Å; A835-E839 VanDerWaalsContact O-CB 3.3Å; A835-E839 WeakPolarHBondContact O-CB 3.43Å; A835-E839 PolarHBondContact O-N 2.65Å |
| 836 | L | 96.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 64% | 0.644 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 178.5 | -70.8 | 171.3 | 0 | 0 | 0 | 112.4 | F832 L833 E839 A840 | F832-L836 WeakPolarHBondContact O-CG 3.49Å; F832-L836 PolarHBondContact O-N 2.78Å; L833-L836 PolarHBondContact O-N 3.2Å; L836-E839 PolarHBondContact O-N 3.06Å; L836-A840 WeakPolarHBondContact O-CB 3.46Å; L836-A840 PolarHBondContact O-N 3.12Å; L836-A840 VanDerWaalsContact O-N 3.09Å |
| 837 | E | 95 | Very high | 95.6 | Very high | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 176.4 | -71.6 | 177.4 | -176.2 | 0 | 0 | 112 | L833 T834 S841 | L833-E837 WeakPolarHBondContact O-CG 3.37Å; L833-E837 PolarHBondContact O-N 3.13Å; T834-E837 PolarHBondContact O-N 3.13Å; E837-S841 PolarHBondContact O-OG 3Å |
| 838 | L | 95.6 | Very high | 95.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.6 | -35.8 | 178.4 | -71.5 | 172.5 | 0 | 0 | 0 | 112.5 | S806 H809 W812 T834 A835 S841 S842 | S806-L838 WeakPolarHBondContact O-CD1 3.21Å; H809-L838 HydrophobicContact CB-CB 3.82Å; W812-L838 VanDerWaalsContact CD1-CD1 3.43Å; W812-L838 HydrophobicContact CG-CD1 4.47Å; T834-L838 HydrophobicContact CG2-CD1 3.9Å; T834-L838 HydrophobicContact CG2-CG 4.46Å; T834-L838 WeakPolarHBondContact O-CB 3.49Å; T834-L838 VanDerWaalsContact O-CG 3.28Å; T834-L838 WeakPolarHBondContact O-CG 3.46Å; T834-L838 PolarHBondContact O-N 3.12Å; A835-L838 PolarHBondContact O-N 3.36Å; L838-S841 CarbonylContact O-C 3.58Å; L838-S841 PolarHBondContact O-N 3.39Å; L838-S841 PolarHBondContact O-OG 3.4Å; L838-S842 PolarHBondContact O-N 3.17Å; L838-S842 VanDerWaalsContact O-N 3.11Å |
| 839 | E | 95.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.1 | 177 | 47.2 | -151.8 | 0 | 0 | 111.9 | K573 H809 A835 L836 S841 S842 | K573-E839 WeakPolarHBondContact CE-O 3.31Å; K573-E839 PolarHBondContact NZ-O 2.85Å; K573-E839 VanDerWaalsContact NZ-O 3.07Å; K573-E839 IonicContact NZ-OE1 2.67Å; K573-E839 PolarHBondContact NZ-OE1 2.86Å; K573-E839 IonicContact NZ-OE2 3.48Å; H809-E839 HydrophobicContact CB-CB 4.03Å; H809-E839 IonicContact CD2-OE2 3.89Å; H809-E839 PolarHBondContact CD2-OE2 2.83Å; H809-E839 IonicContact CE1-OE2 3.31Å; H809-E839 PolarHBondContact CE1-OE2 3.05Å; H809-E839 IonicContact CG-OE2 2.97Å; H809-E839 IonicContact ND1-OE2 2.86Å; H809-E839 PolarHBondContact ND1-OE2 3.39Å; H809-E839 VanDerWaalsContact ND1-OE2 3.12Å; H809-E839 IonicContact NE2-OE2 2.79Å; H809-E839 PolarHBondContact NE2-OE2 2.89Å; A835-E839 VanDerWaalsContact O-CB 3.3Å; A835-E839 WeakPolarHBondContact O-CB 3.43Å; A835-E839 PolarHBondContact O-N 2.65Å; L836-E839 PolarHBondContact O-N 3.06Å; E839-S841 PolarHBondContact O-N 3.42Å; E839-S841 VanDerWaalsContact O-N 3.11Å; E839-S842 WeakPolarHBondContact O-CB 3.38Å; E839-S842 PolarHBondContact O-N 2.86Å; E839-S842 VanDerWaalsContact OE2-CB 3.29Å; E839-S842 WeakPolarHBondContact OE2-CB 3.35Å |
| 840 | A | 94.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 60% | 0.603 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L836 | L836-A840 WeakPolarHBondContact O-CB 3.46Å; L836-A840 PolarHBondContact O-N 3.12Å; L836-A840 VanDerWaalsContact O-N 3.09Å |
| 841 | S | 94.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 16.5 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 113 | R539 E837 L838 E839 P843 | R539-S841 PolarHBondContact NH1-O 2.96Å; E837-S841 PolarHBondContact O-OG 3Å; L838-S841 CarbonylContact O-C 3.58Å; L838-S841 PolarHBondContact O-N 3.39Å; L838-S841 PolarHBondContact O-OG 3.4Å; E839-S841 PolarHBondContact O-N 3.42Å; E839-S841 VanDerWaalsContact O-N 3.11Å; S841-P843 WeakPolarHBondContact O-CD 3.46Å |
| 842 | S | 95.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | trans | -82.5 | 114.8 | -176.3 | -166.1 | 0 | 0 | 0 | 0 | 112.6 | A571 K573 L838 E839 | A571-S842 WeakPolarHBondContact CA-O 3.34Å; K573-S842 PolarHBondContact NZ-O 3.09Å; K573-S842 VanDerWaalsContact NZ-O 3.17Å; L838-S842 PolarHBondContact O-N 3.17Å; L838-S842 VanDerWaalsContact O-N 3.11Å; E839-S842 WeakPolarHBondContact O-CB 3.38Å; E839-S842 PolarHBondContact O-N 2.86Å; E839-S842 VanDerWaalsContact OE2-CB 3.29Å; E839-S842 WeakPolarHBondContact OE2-CB 3.35Å | ||
| 843 | P | 96.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | trans | -73.6 | 159.9 | 173.8 | 34.3 | -36.9 | 0 | 0 | 0 | 110.7 | A571 S841 L845 F847 | A571-P843 HydrophobicContact CB-CB 4.09Å; S841-P843 WeakPolarHBondContact O-CD 3.46Å; P843-L845 VanDerWaalsContact CB-O 3.3Å; P843-L845 WeakPolarHBondContact CB-O 3.33Å; P843-L845 WeakPolarHBondContact CG-O 3.41Å; P843-L845 PolarHBondContact O-N 2.72Å; P843-F847 HydrophobicContact CB-CD1 4.42Å; P843-F847 HydrophobicContact CB-CE1 3.82Å; P843-F847 HydrophobicContact CB-CE2 4.27Å; P843-F847 HydrophobicContact CB-CZ 3.73Å; P843-F847 HydrophobicContact CG-CD1 4.38Å; P843-F847 HydrophobicContact CG-CD2 4.06Å; P843-F847 HydrophobicContact CG-CE1 4.06Å; P843-F847 HydrophobicContact CG-CE2 3.7Å; P843-F847 HydrophobicContact CG-CG 4.39Å; P843-F847 HydrophobicContact CG-CZ 3.7Å | ||
| 844 | I | 94.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.179 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -62.7 | -32.5 | 179.7 | -165.4 | 64 | 0 | 0 | 0 | 113.1 | L567 S570 Y575 T598 K601 L602 M605 | L567-I844 HydrophobicContact CD2-CG2 4.09Å; S570-I844 PolarHBondContact OG-N 2.71Å; Y575-I844 HydrophobicContact CE1-CD1 4.5Å; T598-I844 HydrophobicContact CG2-CG2 4.19Å; K601-I844 HydrophobicContact CB-CG1 3.71Å; L602-I844 HydrophobicContact CD2-CB 4.21Å; L602-I844 HydrophobicContact CD2-CG1 4.29Å; L602-I844 HydrophobicContact CD2-CG2 3.92Å; L602-I844 HydrophobicContact CG-CG2 4.15Å; M605-I844 HydrophobicContact CG-CD1 3.44Å; M605-I844 VanDerWaalsContact CG-CD1 3.44Å; M605-I844 HydrophobicContact SD-CD1 4.34Å |
| 845 | L | 94.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -133 | 150.8 | 171.5 | -75 | 179.2 | 0 | 0 | 0 | 109.2 | L567 T598 K601 P843 F847 | L567-L845 HydrophobicContact CD2-CB 4.03Å; T598-L845 HydrophobicContact CG2-CD1 4.46Å; K601-L845 HydrophobicContact CB-CG 4.44Å; K601-L845 HydrophobicContact CD-CD2 4.47Å; K601-L845 HydrophobicContact CG-CD1 4.14Å; K601-L845 HydrophobicContact CG-CD2 3.92Å; K601-L845 HydrophobicContact CG-CG 4.01Å; P843-L845 VanDerWaalsContact CB-O 3.3Å; P843-L845 WeakPolarHBondContact CB-O 3.33Å; P843-L845 WeakPolarHBondContact CG-O 3.41Å; P843-L845 PolarHBondContact O-N 2.72Å; L845-F847 PolarHBondContact O-N 3.28Å |
| 846 | P | 95.1 | Very high | 94.4 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | -56.5 | 136.8 | 178.9 | -23.6 | 33.5 | 0 | 0 | 0 | 111.9 | T848 I849 | P846-T848 PolarHBondContact O-N 2.89Å; P846-T848 VanDerWaalsContact O-N 3.09Å; P846-I849 WeakPolarHBondContact O-CB 3.48Å; P846-I849 WeakPolarHBondContact O-CG2 3.22Å; P846-I849 PolarHBondContact O-N 3.05Å | ||
| 847 | F | 96.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56 | -29.5 | 176.7 | -62.3 | -62 | 0 | 0 | 0 | 113 | L533 A536 V537 I541 L564 L567 L568 A571 P843 L845 I849 I850 | L533-F847 HydrophobicContact CD1-CB 4.09Å; A536-F847 VanDerWaalsContact C-CD2 3.48Å; A536-F847 HydrophobicContact CB-CB 4.44Å; A536-F847 HydrophobicContact CB-CD1 3.87Å; A536-F847 HydrophobicContact CB-CD2 3.85Å; A536-F847 HydrophobicContact CB-CE1 3.99Å; A536-F847 HydrophobicContact CB-CE2 3.97Å; A536-F847 HydrophobicContact CB-CG 3.79Å; A536-F847 HydrophobicContact CB-CZ 4.05Å; A536-F847 VanDerWaalsContact O-CD2 3.25Å; A536-F847 WeakPolarHBondContact O-CD2 3.33Å; A536-F847 WeakPolarHBondContact O-CE2 3.49Å; V537-F847 HydrophobicContact CG2-CB 4.11Å; I541-F847 HydrophobicContact CD1-CE2 4.22Å; I541-F847 HydrophobicContact CD1-CZ 3.96Å; L564-F847 HydrophobicContact CD1-CD1 3.75Å; L564-F847 HydrophobicContact CD1-CE1 4.32Å; L567-F847 HydrophobicContact CB-CD1 3.82Å; L567-F847 HydrophobicContact CB-CE1 3.76Å; L567-F847 HydrophobicContact CD1-CD1 4.24Å; L568-F847 HydrophobicContact CD2-CE1 3.89Å; L568-F847 HydrophobicContact CD2-CZ 3.97Å; L568-F847 HydrophobicContact CG-CE1 4.16Å; A571-F847 HydrophobicContact CB-CZ 4.11Å; P843-F847 HydrophobicContact CB-CD1 4.42Å; P843-F847 HydrophobicContact CB-CE1 3.82Å; P843-F847 HydrophobicContact CB-CE2 4.27Å; P843-F847 HydrophobicContact CB-CZ 3.73Å; P843-F847 HydrophobicContact CG-CD1 4.38Å; P843-F847 HydrophobicContact CG-CD2 4.06Å; P843-F847 HydrophobicContact CG-CE1 4.06Å; P843-F847 HydrophobicContact CG-CE2 3.7Å; P843-F847 HydrophobicContact CG-CG 4.39Å; P843-F847 HydrophobicContact CG-CZ 3.7Å; L845-F847 PolarHBondContact O-N 3.28Å; F847-I849 PolarHBondContact O-N 3.42Å; F847-I849 VanDerWaalsContact O-N 3.11Å; F847-I850 PolarHBondContact O-N 3.34Å |
| 848 | T | 93.9 | Very high | 94.2 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -70.2 | 0.9 | 177.7 | 59 | 0 | 0 | 0 | 0 | 114.2 | V537 P846 I850 | V537-T848 HydrophobicContact CG2-CG2 4.1Å; P846-T848 PolarHBondContact O-N 2.89Å; P846-T848 VanDerWaalsContact O-N 3.09Å; T848-I850 PolarHBondContact O-N 3.48Å |
| 849 | I | 94.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 41 Ų | 41 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.3 | -28.2 | 167.6 | -167.7 | 59.4 | 0 | 0 | 0 | 111.4 | L567 P846 F847 | L567-I849 HydrophobicContact CD1-CG2 3.8Å; P846-I849 WeakPolarHBondContact O-CB 3.48Å; P846-I849 WeakPolarHBondContact O-CG2 3.22Å; P846-I849 PolarHBondContact O-N 3.05Å; F847-I849 PolarHBondContact O-N 3.42Å; F847-I849 VanDerWaalsContact O-N 3.11Å |
| 850 | I | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -79 | 122.9 | 176 | -54.8 | 171 | 0 | 0 | 0 | 108.2 | F529 L533 H560 H563 L564 L567 F847 T848 | F529-I850 HydrophobicContact CE1-CG2 4.47Å; F529-I850 HydrophobicContact CZ-CG2 3.72Å; L533-I850 HydrophobicContact CD1-CD1 4.45Å; H560-I850 HydrophobicContact CB-CG2 3.93Å; H563-I850 HydrophobicContact CB-CD1 4.1Å; H563-I850 HydrophobicContact CB-CG1 4.47Å; L564-I850 HydrophobicContact CB-CD1 3.67Å; L564-I850 HydrophobicContact CD1-CD1 4.21Å; L564-I850 HydrophobicContact CG-CD1 4.47Å; L567-I850 HydrophobicContact CD1-CD1 4.11Å; L567-I850 HydrophobicContact CD1-CG1 4.41Å; F847-I850 PolarHBondContact O-N 3.34Å; T848-I850 PolarHBondContact O-N 3.48Å |
| 851 | P | 92.9 | Very high | 94 | Very high | 62 Ų | 62 | 37 Ų | 37 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | trans | -64.8 | 138.5 | -175.7 | 25.7 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 852 | R | 94.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | trans | -96.3 | 90 | 175.1 | -70.2 | 169.4 | -73.4 | 176.4 | -1 | 109 | L488 S491 L492 T495 Y530 L533 | L488-R852 HydrophobicContact CD2-CB 3.91Å; L488-R852 HydrophobicContact CD2-CG 4.44Å; S491-R852 PolarHBondContact O-NH1 3.45Å; S491-R852 WeakPolarHBondContact OG-CD 3.47Å; S491-R852 PolarHBondContact OG-NH1 3.1Å; L492-R852 HydrophobicContact CD2-CB 4.22Å; L492-R852 HydrophobicContact CG-CB 4.39Å; T495-R852 PolarHBondContact OG1-NH1 3.11Å; T495-R852 PolarHBondContact OG1-NH2 2.77Å; Y530-R852 HydrophobicContact CE1-CG 4.48Å; L533-R852 HydrophobicContact CD2-CG 3.98Å | ||
| 853 | A | 90.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | trans | -134.7 | 156.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y530 | Y530-A853 PolarHBondContact OH-N 2.87Å; Y530-A853 VanDerWaalsContact OH-N 3.07Å; Y530-A853 PolarHBondContact OH-O 2.92Å | ||
| 854 | L | 85.8 | Confident | 93.5 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 32% | 0.319 | 25% | 0.253 | S | S | . | . | trans | -95.2 | 0 | 176.4 | -84 | 168.4 | 0 | 0 | 0 | 113.3 | V448 K449 I452 L484 A485 L488 | V448-L854 HydrophobicContact CB-CD1 3.76Å; V448-L854 HydrophobicContact CG1-CD1 3.46Å; V448-L854 VanDerWaalsContact CG1-CD1 3.46Å; K449-L854 HydrophobicContact CB-CB 3.98Å; K449-L854 WeakPolarHBondContact CD-O 3.36Å; K449-L854 VanDerWaalsContact CE-O 3.23Å; K449-L854 WeakPolarHBondContact CE-O 2.93Å; K449-L854 HydrophobicContact CG-CB 4.25Å; K449-L854 WeakPolarHBondContact CG-O 3.37Å; K449-L854 PolarHBondContact NZ-O 3.2Å; I452-L854 HydrophobicContact CD1-CB 4.04Å; I452-L854 HydrophobicContact CD1-CD1 3.76Å; I452-L854 HydrophobicContact CD1-CG 3.69Å; L484-L854 HydrophobicContact CD2-CD2 4.37Å; A485-L854 HydrophobicContact CB-CD1 3.65Å; A485-L854 HydrophobicContact CB-CD2 4.16Å; A485-L854 HydrophobicContact CB-CG 4.46Å; L488-L854 HydrophobicContact CD1-CD2 3.71Å; L488-L854 HydrophobicContact CD1-CG 3.63Å |
Retrieved 854 of 854 residues in 2218.5 ms
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