| 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 | 38.9 | Very low | 50.9 | Low | 234 Ų | 234 | 111.5 Ų | 111.5 | 100% | 1.153 | 68% | 0.683 | S | S | * | * | 0 | 120.6 | 0 | -74.8 | 177 | 170.8 | 0 | 0 | 108 | |||||
| 2 | P | 36.6 | Very low | 53.4 | Low | 115 Ų | 115 | 110.3 Ų | 110.3 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145.7 | 159.9 | 9.8 | 5.6 | 0 | 0 | 0 | 107.9 | T4 | P2-T4 PolarHBondContact O-N 3.26Š|
| 3 | P | 38.1 | Very low | 55.6 | Low | 127 Ų | 127 | 108.6 Ų | 108.6 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 120 | 175.1 | 26.2 | -30.3 | 0 | 0 | 0 | 108.6 | S5 | P3-S5 PolarHBondContact O-N 2.83Š|
| 4 | T | 42.5 | Very low | 57.6 | Low | 135 Ų | 135 | 102.6 Ų | 102.6 | 83% | 0.828 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.6 | 166.9 | 35.2 | 0 | 0 | 0 | 0 | 107.9 | P2 | P2-T4 PolarHBondContact O-N 3.26Š|
| 5 | S | 34.8 | Very low | 59.4 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 74% | 0.741 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 138.5 | 170.7 | -86.2 | 0 | 0 | 0 | 0 | 109 | P3 M7 | P3-S5 PolarHBondContact O-N 2.83Å; S5-M7 PolarHBondContact O-N 2.59Å |
| 6 | P | 43.9 | Very low | 61.2 | Low | 125 Ų | 125 | 92.6 Ų | 92.6 | 81% | 0.812 | 57% | 0.572 | S | S | * | * | trans | -59.7 | 112.2 | 173 | 25.6 | -31.1 | 0 | 0 | 0 | 107.4 | A8 | P6-A8 PolarHBondContact O-N 2.96Š| ||
| 7 | M | 53.4 | Low | 62.9 | Low | 112 Ų | 112 | 94.7 Ų | 94.7 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | trans | -58.7 | 133.7 | 172.5 | -91.4 | -165.6 | 172.9 | 0 | 0 | 107.6 | S5 V9 R32 | S5-M7 PolarHBondContact O-N 2.59Å; M7-V9 PolarHBondContact O-N 3.26Å; M7-R32 HydrophobicContact SD-CG 4.43Å | ||
| 8 | A | 57.7 | Low | 64.4 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | trans | -53.7 | 130.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P6 I10 | P6-A8 PolarHBondContact O-N 2.96Å; A8-I10 PolarHBondContact O-N 3.32Å | ||
| 9 | V | 65.4 | Low | 65.7 | Low | 121 Ų | 121 | 87.5 Ų | 87.5 | 73% | 0.733 | 53% | 0.528 | S | S | * | . | trans | -44.7 | 122.8 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | M7 S11 | M7-V9 PolarHBondContact O-N 3.26Å; V9-S11 PolarHBondContact O-N 3.21Å | ||
| 10 | I | 70.8 | Confident | 66.9 | Low | 17 Ų | 17 | 85.9 Ų | 85.9 | 9% | 0.087 | 52% | 0.517 | C | S | . | . | trans | -82.4 | 111.3 | 178.7 | -56.1 | 177.9 | 0 | 0 | 0 | 107.2 | A8 A15 R32 V33 C36 Q44 | A8-I10 PolarHBondContact O-N 3.32Å; I10-A15 HydrophobicContact CG2-CB 3.86Å; I10-R32 HydrophobicContact CD1-CB 4.18Å; I10-V33 HydrophobicContact CD1-CG2 3.98Å; I10-V33 HydrophobicContact CG2-CG2 4.2Å; I10-C36 HydrophobicContact CD1-CB 3.79Å; I10-Q44 PolarHBondContact O-NE2 2.98Å; I10-Q44 PolarHBondContact O-OE1 3.44Å | ||
| 11 | S | 77.9 | Confident | 68 | Low | 56 Ų | 56 | 84.5 Ų | 84.5 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | trans | -67.1 | 140.3 | 170.4 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | V9 S13 A14 A15 | V9-S11 PolarHBondContact O-N 3.21Å; S11-S13 PolarHBondContact O-N 3.26Å; S11-S13 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact OG-OG 3.4Å; S11-A14 WeakPolarHBondContact O-CA 3.39Å; S11-A14 WeakPolarHBondContact O-CB 3.32Å; S11-A14 PolarHBondContact O-N 3.17Å; S11-A14 WeakPolarHBondContact OG-CB 3.43Å; S11-A14 PolarHBondContact OG-N 2.96Å; S11-A15 PolarHBondContact O-N 2.68Å | ||
| 12 | E | 81 | Confident | 70.4 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.2 | -35.4 | 175.9 | -171.6 | 173.4 | -166.8 | 0 | 0 | 111.5 | A14 A15 A16 I47 K50 | E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 3.2Å; E12-A15 PolarHBondContact O-N 3.47Å; E12-A16 VanDerWaalsContact O-CB 3.24Å; E12-A16 WeakPolarHBondContact O-CB 3.17Å; E12-A16 PolarHBondContact O-N 2.91Å; E12-I47 HydrophobicContact CB-CG2 4.18Å; E12-I47 HydrophobicContact CG-CG2 4.26Å; E12-K50 IonicContact OE1-NZ 2.73Å; E12-K50 PolarHBondContact OE1-NZ 3Å |
| 13 | S | 81.7 | Confident | 72.8 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 62% | 0.622 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.1 | -35.8 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | S11 | S11-S13 PolarHBondContact O-N 3.26Å; S11-S13 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact OG-OG 3.4Å |
| 14 | A | 84.1 | Confident | 75.2 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 21% | 0.207 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -71.3 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S11 E12 A16 Q17 L29 | S11-A14 WeakPolarHBondContact O-CA 3.39Å; S11-A14 WeakPolarHBondContact O-CB 3.32Å; S11-A14 PolarHBondContact O-N 3.17Å; S11-A14 WeakPolarHBondContact OG-CB 3.43Å; S11-A14 PolarHBondContact OG-N 2.96Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 3.2Å; A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 3.27Å; A14-Q17 VanDerWaalsContact O-CB 3.24Å; A14-Q17 WeakPolarHBondContact O-CB 3.47Å; A14-Q17 PolarHBondContact O-N 3.1Å; A14-L29 VanDerWaalsContact O-CD2 3.26Å; A14-L29 WeakPolarHBondContact O-CD2 3.15Å |
| 15 | A | 84.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I10 S11 E12 Q17 L18 V33 I47 V51 | I10-A15 HydrophobicContact CG2-CB 3.86Å; S11-A15 PolarHBondContact O-N 2.68Å; E12-A15 PolarHBondContact O-N 3.47Å; A15-Q17 PolarHBondContact O-N 3.32Å; A15-L18 VanDerWaalsContact O-CB 3.27Å; A15-L18 WeakPolarHBondContact O-CB 3.26Å; A15-L18 WeakPolarHBondContact O-CG 3.24Å; A15-L18 PolarHBondContact O-N 3.39Å; A15-V33 HydrophobicContact CB-CG2 4.16Å; A15-I47 HydrophobicContact CB-CG2 4.48Å; A15-V51 HydrophobicContact CB-CB 4.37Å; A15-V51 HydrophobicContact CB-CG1 4.21Å; A15-V51 HydrophobicContact CB-CG2 3.83Å; A15-V51 WeakPolarHBondContact O-CG1 3.17Å |
| 16 | A | 88 | Confident | 80.3 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -63.1 | -19.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E12 A14 L18 L19 | E12-A16 VanDerWaalsContact O-CB 3.24Å; E12-A16 WeakPolarHBondContact O-CB 3.17Å; E12-A16 PolarHBondContact O-N 2.91Å; A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 3.27Å; A16-L18 PolarHBondContact O-N 3.31Å; A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 3.23Å |
| 17 | Q | 89.4 | Confident | 82.6 | Confident | 129 Ų | 129 | 73.4 Ų | 73.4 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -62.6 | -26.6 | 172.2 | -64.7 | 178.4 | -15.9 | 0 | 0 | 111.9 | A14 A15 L19 D20 L29 | A14-Q17 VanDerWaalsContact O-CB 3.24Å; A14-Q17 WeakPolarHBondContact O-CB 3.47Å; A14-Q17 PolarHBondContact O-N 3.1Å; A15-Q17 PolarHBondContact O-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.35Å; Q17-D20 PolarHBondContact O-N 2.96Å; Q17-L29 HydrophobicContact CB-CD2 4.28Å |
| 18 | L | 90 | Very high | 84.4 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -63.8 | -19.4 | 172.9 | -61.1 | 176.9 | 0 | 0 | 0 | 112.4 | A15 A16 L25 L29 L30 V33 V51 R64 | A15-L18 VanDerWaalsContact O-CB 3.27Å; A15-L18 WeakPolarHBondContact O-CB 3.26Å; A15-L18 WeakPolarHBondContact O-CG 3.24Å; A15-L18 PolarHBondContact O-N 3.39Å; A16-L18 PolarHBondContact O-N 3.31Å; L18-L25 HydrophobicContact CB-CD1 4.42Å; L18-L25 HydrophobicContact CD2-CD1 3.69Å; L18-L29 HydrophobicContact CD1-CG 4.28Å; L18-L29 HydrophobicContact CD2-CB 4.08Å; L18-L29 HydrophobicContact CD2-CD2 3.78Å; L18-L29 HydrophobicContact CD2-CG 3.85Å; L18-L29 HydrophobicContact CG-CD2 3.83Å; L18-L29 HydrophobicContact CG-CG 4.02Å; L18-L30 HydrophobicContact CD1-CB 4.37Å; L18-L30 HydrophobicContact CD1-CD1 3.98Å; L18-L30 HydrophobicContact CD2-CB 4.02Å; L18-V33 HydrophobicContact CD1-CB 3.98Å; L18-V33 HydrophobicContact CD1-CG1 4.3Å; L18-V33 HydrophobicContact CD1-CG2 3.69Å; L18-V51 HydrophobicContact CB-CG1 4.46Å; L18-V51 HydrophobicContact CD1-CG1 4.4Å; L18-R64 PolarHBondContact O-NH1 2.94Å |
| 19 | L | 89.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -92 | -3.4 | 179.1 | -54.5 | 177 | 0 | 0 | 0 | 113.3 | A16 Q17 F21 V51 T54 L55 | A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 3.23Å; Q17-L19 PolarHBondContact O-N 3.35Å; L19-F21 VanDerWaalsContact O-CD2 3.28Å; L19-F21 WeakPolarHBondContact O-CD2 3.4Å; L19-F21 PolarHBondContact O-N 3.07Å; L19-V51 HydrophobicContact CD2-CG1 4.43Å; L19-V51 HydrophobicContact CG-CG1 4.36Å; L19-T54 HydrophobicContact CD1-CG2 3.79Å; L19-T54 HydrophobicContact CD2-CG2 4.03Å; L19-L55 HydrophobicContact CD2-CB 3.68Å; L19-L55 HydrophobicContact CD2-CD1 4.33Å |
| 20 | D | 90.3 | Very high | 87.4 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | trans | -83.7 | 98.5 | 177.5 | -177.5 | 1.4 | 0 | 0 | 0 | 110.9 | Q17 S22 Q23 R64 | Q17-D20 PolarHBondContact O-N 2.96Å; D20-S22 VanDerWaalsContact CG-OG 3.28Å; D20-S22 PolarHBondContact O-N 3.38Å; D20-S22 VanDerWaalsContact OD1-CB 3.28Å; D20-S22 WeakPolarHBondContact OD1-CB 3.49Å; D20-S22 PolarHBondContact OD1-N 3.14Å; D20-S22 PolarHBondContact OD1-OG 3.36Å; D20-S22 PolarHBondContact OD2-OG 2.66Å; D20-Q23 PolarHBondContact O-N 3.27Å; D20-Q23 PolarHBondContact OD2-NE2 3.35Å; D20-R64 PolarHBondContact O-NH2 3.47Å | ||
| 21 | F | 90.1 | Very high | 88.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -4.3 | 177.7 | -74.9 | -95.8 | 0 | 0 | 0 | 114.8 | L19 Q23 L55 H58 D60 A61 R64 | L19-F21 VanDerWaalsContact O-CD2 3.28Å; L19-F21 WeakPolarHBondContact O-CD2 3.4Å; L19-F21 PolarHBondContact O-N 3.07Å; F21-Q23 VanDerWaalsContact C-N 3.34Å; F21-L55 HydrophobicContact CE2-CD1 4.18Å; F21-L55 HydrophobicContact CZ-CD1 3.79Å; F21-H58 AromaticContact CD2-CD2 3.9Å; F21-H58 AromaticContact CD2-CE1 3.43Å; F21-H58 VanDerWaalsContact CD2-CE1 3.43Å; F21-H58 WeakPolarHBondContact CD2-CE1 3.36Å; F21-H58 AromaticContact CD2-CG 3.9Å; F21-H58 AromaticContact CD2-ND1 3.6Å; F21-H58 AromaticContact CD2-NE2 3.62Å; F21-H58 AromaticContact CE1-ND1 3.62Å; F21-H58 HydrophobicContact CE2-CB 3.79Å; F21-H58 AromaticContact CE2-CD2 3.55Å; F21-H58 AromaticContact CE2-CE1 3.54Å; F21-H58 AromaticContact CE2-CG 3.2Å; F21-H58 AromaticContact CE2-ND1 3.19Å; F21-H58 WeakPolarHBondContact CE2-ND1 3.35Å; F21-H58 AromaticContact CE2-NE2 3.76Å; F21-H58 AromaticContact CG-CE1 3.74Å; F21-H58 HydrophobicContact CZ-CB 3.75Å; F21-H58 AromaticContact CZ-CE1 3.9Å; F21-H58 AromaticContact CZ-CG 3.46Å; F21-H58 VanDerWaalsContact CZ-CG 3.46Å; F21-H58 AromaticContact CZ-ND1 3.19Å; F21-H58 WeakPolarHBondContact CZ-ND1 3.27Å; F21-D60 HydrophobicContact CD1-CB 3.88Å; F21-D60 HydrophobicContact CE1-CB 3.94Å; F21-D60 WeakPolarHBondContact CE1-O 3.47Å; F21-A61 HydrophobicContact CZ-CB 4.38Å; F21-R64 HydrophobicContact CE1-CG 4.41Å |
| 22 | S | 88.6 | Confident | 89.2 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 72% | 0.72 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.1 | 174.4 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | D20 | D20-S22 VanDerWaalsContact CG-OG 3.28Å; D20-S22 PolarHBondContact O-N 3.38Å; D20-S22 VanDerWaalsContact OD1-CB 3.28Å; D20-S22 WeakPolarHBondContact OD1-CB 3.49Å; D20-S22 PolarHBondContact OD1-N 3.14Å; D20-S22 PolarHBondContact OD1-OG 3.36Å; D20-S22 PolarHBondContact OD2-OG 2.66Å |
| 23 | Q | 87.3 | Confident | 89.8 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -116.6 | 161.7 | -178.4 | -59.8 | -176.5 | 39.7 | 0 | 0 | 111.7 | D20 F21 R64 | D20-Q23 PolarHBondContact O-N 3.27Å; D20-Q23 PolarHBondContact OD2-NE2 3.35Å; F21-Q23 VanDerWaalsContact C-N 3.34Å; Q23-R64 PolarHBondContact O-NH2 2.96Å; Q23-R64 VanDerWaalsContact O-NH2 3.1Å |
| 24 | R | 87.4 | Confident | 90.3 | Very high | 248 Ų | 248 | 54.3 Ų | 54.3 | 94% | 0.936 | 28% | 0.279 | S | S | * | . | trans | -64.3 | 136.5 | 169.5 | -71.2 | -174.3 | 178.2 | -177.8 | -1.6 | 109.2 | D26 | R24-D26 PolarHBondContact O-N 2.67Š| ||
| 25 | L | 91.2 | Very high | 90.7 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | trans | -64.5 | 126.6 | 178.8 | 179.4 | 67 | 0 | 0 | 0 | 110.6 | L18 I27 L30 R64 I68 | L18-L25 HydrophobicContact CB-CD1 4.42Å; L18-L25 HydrophobicContact CD2-CD1 3.69Å; L25-I27 HydrophobicContact CB-CD1 4.37Å; L25-I27 HydrophobicContact CD2-CD1 3.64Å; L25-I27 HydrophobicContact CG-CD1 3.91Å; L25-I27 PolarHBondContact O-N 3.26Å; L25-L30 HydrophobicContact CD2-CD2 4.11Å; L25-R64 HydrophobicContact CD2-CB 3.97Å; L25-R64 HydrophobicContact CD2-CG 4.42Å; L25-I68 HydrophobicContact CD2-CD1 3.7Å; L25-I68 HydrophobicContact CD2-CG1 3.51Å | ||
| 26 | D | 92.9 | Very high | 91 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | trans | -78.4 | 98.9 | 170.9 | -176.8 | -14 | 0 | 0 | 0 | 109.8 | R24 G28 L29 L30 | R24-D26 PolarHBondContact O-N 2.67Å; D26-G28 VanDerWaalsContact C-N 3.31Å; D26-G28 PolarHBondContact O-N 3.26Å; D26-G28 PolarHBondContact OD1-N 2.96Å; D26-L29 HydrophobicContact CB-CB 3.89Å; D26-L29 PolarHBondContact O-N 3.46Å; D26-L29 PolarHBondContact OD1-N 2.86Å; D26-L30 PolarHBondContact O-N 3.36Å | ||
| 27 | I | 92.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -34 | -179.7 | -53.4 | -58.1 | 0 | 0 | 0 | 111.9 | L25 L29 L30 D31 I68 F71 | L25-I27 HydrophobicContact CB-CD1 4.37Å; L25-I27 HydrophobicContact CD2-CD1 3.64Å; L25-I27 HydrophobicContact CG-CD1 3.91Å; L25-I27 PolarHBondContact O-N 3.26Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L30 PolarHBondContact O-N 3.45Å; I27-D31 PolarHBondContact O-N 2.91Å; I27-I68 HydrophobicContact CD1-CB 4.45Å; I27-I68 HydrophobicContact CD1-CG1 3.85Å; I27-F71 HydrophobicContact CG1-CB 4.17Å; I27-F71 HydrophobicContact CG2-CB 4.45Å |
| 28 | G | 91.7 | Very high | 91.2 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.7 | -31 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D26 R32 | D26-G28 VanDerWaalsContact C-N 3.31Å; D26-G28 PolarHBondContact O-N 3.26Å; D26-G28 PolarHBondContact OD1-N 2.96Å; G28-R32 WeakPolarHBondContact O-CG 3.46Å; G28-R32 PolarHBondContact O-N 2.91Å; G28-R32 PolarHBondContact O-NE 2.85Å |
| 29 | L | 92.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 167.5 | 177.8 | 63.7 | 0 | 0 | 0 | 111.6 | A14 Q17 L18 D26 I27 D31 R32 V33 | A14-L29 VanDerWaalsContact O-CD2 3.26Å; A14-L29 WeakPolarHBondContact O-CD2 3.15Å; Q17-L29 HydrophobicContact CB-CD2 4.28Å; L18-L29 HydrophobicContact CD1-CG 4.28Å; L18-L29 HydrophobicContact CD2-CB 4.08Å; L18-L29 HydrophobicContact CD2-CD2 3.78Å; L18-L29 HydrophobicContact CD2-CG 3.85Å; L18-L29 HydrophobicContact CG-CD2 3.83Å; L18-L29 HydrophobicContact CG-CG 4.02Å; D26-L29 HydrophobicContact CB-CB 3.89Å; D26-L29 PolarHBondContact O-N 3.46Å; D26-L29 PolarHBondContact OD1-N 2.86Å; I27-L29 VanDerWaalsContact C-N 3.35Å; L29-D31 PolarHBondContact O-N 3.25Å; L29-R32 WeakPolarHBondContact O-CB 3.06Å; L29-R32 PolarHBondContact O-N 3.16Å; L29-R32 VanDerWaalsContact O-N 3.14Å; L29-V33 HydrophobicContact CD1-CG2 4.27Å; L29-V33 HydrophobicContact CG-CG2 4.48Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.96Å |
| 30 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 177.1 | -179.4 | 63.3 | 0 | 0 | 0 | 111.3 | L18 L25 D26 I27 R32 V33 V34 L52 L55 I68 T77 F80 | L18-L30 HydrophobicContact CD1-CB 4.37Å; L18-L30 HydrophobicContact CD1-CD1 3.98Å; L18-L30 HydrophobicContact CD2-CB 4.02Å; L25-L30 HydrophobicContact CD2-CD2 4.11Å; D26-L30 PolarHBondContact O-N 3.36Å; I27-L30 PolarHBondContact O-N 3.45Å; L30-R32 PolarHBondContact O-N 3.23Å; L30-V33 PolarHBondContact O-N 3.39Å; L30-V33 VanDerWaalsContact O-N 3.1Å; L30-V34 HydrophobicContact CD1-CG2 3.98Å; L30-V34 HydrophobicContact CG-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 3.03Å; L30-L52 HydrophobicContact CD1-CD2 3.82Å; L30-L55 HydrophobicContact CD1-CD2 4.11Å; L30-I68 HydrophobicContact CD2-CD1 3.75Å; L30-I68 HydrophobicContact CD2-CG1 3.81Å; L30-I68 HydrophobicContact CD2-CG2 4.09Å; L30-T77 HydrophobicContact CD2-CG2 3.52Å; L30-T77 HydrophobicContact CG-CG2 3.69Å; L30-F80 HydrophobicContact CD1-CE1 4.38Å |
| 31 | D | 94.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -38.1 | 176.6 | -78.2 | -6.9 | 0 | 0 | 0 | 111.9 | I27 L29 N35 S72 N74 T77 | I27-D31 PolarHBondContact O-N 2.91Å; L29-D31 PolarHBondContact O-N 3.25Å; D31-N35 VanDerWaalsContact O-CB 3.23Å; D31-N35 WeakPolarHBondContact O-CB 3.37Å; D31-N35 PolarHBondContact O-N 3Å; D31-N35 PolarHBondContact O-ND2 3.45Å; D31-S72 PolarHBondContact OD1-OG 2.88Å; D31-S72 PolarHBondContact OD2-OG 3.43Å; D31-N74 HydrophobicContact CB-CB 4.49Å; D31-T77 WeakPolarHBondContact OD1-CB 3Å; D31-T77 VanDerWaalsContact OD1-CG2 3.27Å; D31-T77 WeakPolarHBondContact OD1-CG2 3.45Å; D31-T77 PolarHBondContact OD1-OG1 3.26Å |
| 32 | R | 91.2 | Very high | 90.8 | Very high | 106 Ų | 106 | 63.1 Ų | 63.1 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 175.2 | -74.3 | -178 | -68.3 | 163.9 | -0.6 | 112.6 | M7 I10 G28 L29 L30 N35 C36 | M7-R32 HydrophobicContact SD-CG 4.43Å; I10-R32 HydrophobicContact CD1-CB 4.18Å; G28-R32 WeakPolarHBondContact O-CG 3.46Å; G28-R32 PolarHBondContact O-N 2.91Å; G28-R32 PolarHBondContact O-NE 2.85Å; L29-R32 WeakPolarHBondContact O-CB 3.06Å; L29-R32 PolarHBondContact O-N 3.16Å; L29-R32 VanDerWaalsContact O-N 3.14Å; L30-R32 PolarHBondContact O-N 3.23Å; R32-N35 PolarHBondContact O-N 3.28Å; R32-C36 VanDerWaalsContact O-CB 3.32Å; R32-C36 WeakPolarHBondContact O-CB 3.48Å; R32-C36 PolarHBondContact O-N 2.89Å |
| 33 | V | 93.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | I10 A15 L18 L29 L30 C36 M37 A48 L52 | I10-V33 HydrophobicContact CD1-CG2 3.98Å; I10-V33 HydrophobicContact CG2-CG2 4.2Å; A15-V33 HydrophobicContact CB-CG2 4.16Å; L18-V33 HydrophobicContact CD1-CB 3.98Å; L18-V33 HydrophobicContact CD1-CG1 4.3Å; L18-V33 HydrophobicContact CD1-CG2 3.69Å; L29-V33 HydrophobicContact CD1-CG2 4.27Å; L29-V33 HydrophobicContact CG-CG2 4.48Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.96Å; L30-V33 PolarHBondContact O-N 3.39Å; L30-V33 VanDerWaalsContact O-N 3.1Å; V33-C36 WeakPolarHBondContact O-CB 3.28Å; V33-C36 PolarHBondContact O-N 3.03Å; V33-M37 PolarHBondContact O-N 3.19Å; V33-A48 HydrophobicContact CG1-CB 3.91Å; V33-A48 WeakPolarHBondContact O-CB 3.29Å; V33-L52 HydrophobicContact CG1-CD1 4.29Å; V33-L52 HydrophobicContact CG1-CD2 4.08Å; V33-L52 HydrophobicContact CG1-CG 3.93Å |
| 34 | V | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L30 C36 M37 Y38 L52 E76 T77 | L30-V34 HydrophobicContact CD1-CG2 3.98Å; L30-V34 HydrophobicContact CG-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 3.03Å; V34-C36 VanDerWaalsContact C-N 3.26Å; V34-C36 PolarHBondContact O-N 3.28Å; V34-M37 WeakPolarHBondContact O-CA 3.44Å; V34-M37 VanDerWaalsContact O-CB 3.31Å; V34-M37 WeakPolarHBondContact O-CB 3.27Å; V34-M37 PolarHBondContact O-N 3.36Å; V34-Y38 HydrophobicContact CG1-CD2 3.79Å; V34-Y38 HydrophobicContact CG1-CE2 3.79Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 2.72Å; V34-Y38 VanDerWaalsContact O-N 3.14Å; V34-L52 HydrophobicContact CG2-CD1 4.21Å; V34-L52 HydrophobicContact CG2-CD2 3.82Å; V34-E76 HydrophobicContact CG1-CB 3.63Å; V34-T77 HydrophobicContact CG2-CG2 4.34Å |
| 35 | N | 91.9 | Very high | 90.9 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -40.8 | 174.3 | -81 | -36.4 | 0 | 0 | 0 | 112.3 | D31 R32 M37 Y38 H39 N74 | D31-N35 VanDerWaalsContact O-CB 3.23Å; D31-N35 WeakPolarHBondContact O-CB 3.37Å; D31-N35 PolarHBondContact O-N 3Å; D31-N35 PolarHBondContact O-ND2 3.45Å; R32-N35 PolarHBondContact O-N 3.28Å; N35-M37 VanDerWaalsContact C-N 3.28Å; N35-M37 PolarHBondContact O-N 3.25Å; N35-Y38 PolarHBondContact O-N 3.49Å; N35-H39 WeakPolarHBondContact O-CB 3.43Å; N35-H39 PolarHBondContact O-N 3.25Å; N35-N74 PolarHBondContact OD1-ND2 3.46Å |
| 36 | C | 91.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | I10 R32 V33 V34 E40 A48 | I10-C36 HydrophobicContact CD1-CB 3.79Å; R32-C36 VanDerWaalsContact O-CB 3.32Å; R32-C36 WeakPolarHBondContact O-CB 3.48Å; R32-C36 PolarHBondContact O-N 2.89Å; V33-C36 WeakPolarHBondContact O-CB 3.28Å; V33-C36 PolarHBondContact O-N 3.03Å; V34-C36 VanDerWaalsContact C-N 3.26Å; V34-C36 PolarHBondContact O-N 3.28Å; C36-E40 HydrophobicContact CB-CG 4.4Å; C36-E40 WeakPolarHBondContact O-CB 3.19Å; C36-E40 PolarHBondContact O-N 3.39Å; C36-A48 HydrophobicContact CB-CB 4.19Å |
| 37 | M | 91.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177 | -173.3 | -110 | -156.4 | 0 | 0 | 112.5 | V33 V34 N35 Q45 A48 L52 | V33-M37 PolarHBondContact O-N 3.19Å; V34-M37 WeakPolarHBondContact O-CA 3.44Å; V34-M37 VanDerWaalsContact O-CB 3.31Å; V34-M37 WeakPolarHBondContact O-CB 3.27Å; V34-M37 PolarHBondContact O-N 3.36Å; N35-M37 VanDerWaalsContact C-N 3.28Å; N35-M37 PolarHBondContact O-N 3.25Å; M37-Q45 PolarHBondContact O-NE2 3.07Å; M37-Q45 VanDerWaalsContact O-NE2 3.09Å; M37-A48 HydrophobicContact CB-CB 4.17Å; M37-L52 HydrophobicContact CB-CD1 3.78Å; M37-L52 HydrophobicContact CG-CD1 3.95Å |
| 38 | Y | 89.3 | Confident | 90.7 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 41% | 0.408 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -88.1 | -25.8 | -176.3 | -76.3 | -81.4 | 0 | 0 | 0 | 114.8 | V34 N35 E76 | V34-Y38 HydrophobicContact CG1-CD2 3.79Å; V34-Y38 HydrophobicContact CG1-CE2 3.79Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 2.72Å; V34-Y38 VanDerWaalsContact O-N 3.14Å; N35-Y38 PolarHBondContact O-N 3.49Å; Y38-E76 HydrophobicContact CD2-CB 3.88Å; Y38-E76 HydrophobicContact CD2-CG 3.91Å; Y38-E76 HydrophobicContact CE2-CB 3.75Å; Y38-E76 HydrophobicContact CE2-CG 4.04Å; Y38-E76 HydrophobicContact CG-CG 4.18Å |
| 39 | H | 90 | Very high | 90.7 | Very high | 127 Ų | 127 | 57 Ų | 57 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -122.4 | -16.3 | -169.5 | -59.1 | -50.7 | 0 | 0 | 0 | 115.6 | N35 | N35-H39 WeakPolarHBondContact O-CB 3.43Å; N35-H39 PolarHBondContact O-N 3.25Å |
| 40 | E | 87 | Confident | 90.7 | Very high | 93 Ų | 93 | 62.4 Ų | 62.4 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -100.9 | 163.6 | 176.2 | -62.1 | -71.9 | 166.2 | 0 | 0 | 111.2 | C36 | C36-E40 HydrophobicContact CB-CG 4.4Å; C36-E40 WeakPolarHBondContact O-CB 3.19Å; C36-E40 PolarHBondContact O-N 3.39Å | ||
| 41 | A | 86.5 | Confident | 90.6 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | trans | -128.5 | 159 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | G | 88.8 | Confident | 90.6 | Very high | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -144.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q44 Q45 K46 | G42-Q44 VanDerWaalsContact C-N 3.31Å; G42-Q44 PolarHBondContact O-N 3.1Å; G42-Q45 WeakPolarHBondContact O-CB 3.19Å; G42-Q45 PolarHBondContact O-N 2.96Å; G42-K46 PolarHBondContact O-N 2.7Å |
| 43 | D | 87.9 | Confident | 90.7 | Very high | 122 Ų | 122 | 60.1 Ų | 60.1 | 65% | 0.652 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64 | -34 | -171.2 | -67.1 | -26.2 | 0 | 0 | 0 | 113.2 | K46 I47 | D43-K46 PolarHBondContact O-N 3.14Å; D43-I47 VanDerWaalsContact O-CG1 3.31Å; D43-I47 WeakPolarHBondContact O-CG1 3.47Å; D43-I47 PolarHBondContact O-N 3.11Å |
| 44 | Q | 86.7 | Confident | 90.7 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.3 | -73.1 | -67.8 | -65.1 | 0 | 0 | 111.7 | I10 G42 I47 A48 | I10-Q44 PolarHBondContact O-NE2 2.98Å; I10-Q44 PolarHBondContact O-OE1 3.44Å; G42-Q44 VanDerWaalsContact C-N 3.31Å; G42-Q44 PolarHBondContact O-N 3.1Å; Q44-I47 PolarHBondContact O-N 3.25Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 3.32Å |
| 45 | Q | 90.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.2 | -169.1 | -177.9 | 31.7 | 0 | 0 | 111.4 | M37 G42 I47 A48 E49 | M37-Q45 PolarHBondContact O-NE2 3.07Å; M37-Q45 VanDerWaalsContact O-NE2 3.09Å; G42-Q45 WeakPolarHBondContact O-CB 3.19Å; G42-Q45 PolarHBondContact O-N 2.96Å; Q45-I47 PolarHBondContact O-N 3.03Å; Q45-A48 PolarHBondContact O-N 3.27Å; Q45-E49 WeakPolarHBondContact O-CB 3.39Å; Q45-E49 PolarHBondContact O-N 2.78Å |
| 46 | K | 90.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 64.8 Ų | 64.8 | 60% | 0.596 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 176.5 | -70.3 | -177.9 | 179.8 | 175.9 | 0 | 112.7 | G42 D43 K50 | G42-K46 PolarHBondContact O-N 2.7Å; D43-K46 PolarHBondContact O-N 3.14Å; K46-K50 WeakPolarHBondContact O-CB 3.09Å; K46-K50 PolarHBondContact O-N 3.14Å |
| 47 | I | 90.2 | Very high | 90.5 | Very high | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 175.7 | -68 | 165.4 | 0 | 0 | 0 | 110 | E12 A15 D43 Q44 Q45 K50 V51 | E12-I47 HydrophobicContact CB-CG2 4.18Å; E12-I47 HydrophobicContact CG-CG2 4.26Å; A15-I47 HydrophobicContact CB-CG2 4.48Å; D43-I47 VanDerWaalsContact O-CG1 3.31Å; D43-I47 WeakPolarHBondContact O-CG1 3.47Å; D43-I47 PolarHBondContact O-N 3.11Å; Q44-I47 PolarHBondContact O-N 3.25Å; Q45-I47 PolarHBondContact O-N 3.03Å; I47-K50 PolarHBondContact O-N 3.32Å; I47-V51 WeakPolarHBondContact O-CG2 3.32Å; I47-V51 PolarHBondContact O-N 3.17Å |
| 48 | A | 92 | Very high | 90.5 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V33 C36 M37 Q44 Q45 V51 L52 | V33-A48 HydrophobicContact CG1-CB 3.91Å; V33-A48 WeakPolarHBondContact O-CB 3.29Å; C36-A48 HydrophobicContact CB-CB 4.19Å; M37-A48 HydrophobicContact CB-CB 4.17Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 3.32Å; Q45-A48 PolarHBondContact O-N 3.27Å; A48-V51 PolarHBondContact O-N 2.89Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.24Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 2.93Å |
| 49 | E | 92.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 70 Ų | 70 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 177.5 | -178.3 | -179.5 | -172.3 | 0 | 0 | 112 | Q45 V51 L52 N53 | Q45-E49 WeakPolarHBondContact O-CB 3.39Å; Q45-E49 PolarHBondContact O-N 2.78Å; E49-V51 VanDerWaalsContact C-N 3.33Å; E49-V51 PolarHBondContact O-N 3.29Å; E49-L52 PolarHBondContact O-N 2.9Å; E49-N53 WeakPolarHBondContact O-CB 3.14Å; E49-N53 PolarHBondContact O-N 2.97Å; E49-N53 PolarHBondContact O-ND2 3.32Å |
| 50 | K | 92.3 | Very high | 90.4 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 178 | -179.3 | -174.7 | 171.6 | -164 | 0 | 111.5 | E12 K46 I47 T54 | E12-K50 IonicContact OE1-NZ 2.73Å; E12-K50 PolarHBondContact OE1-NZ 3Å; K46-K50 WeakPolarHBondContact O-CB 3.09Å; K46-K50 PolarHBondContact O-N 3.14Å; I47-K50 PolarHBondContact O-N 3.32Å; K50-T54 WeakPolarHBondContact O-CB 3.32Å; K50-T54 PolarHBondContact O-N 2.92Å; K50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | V | 92.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | -179.7 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | A15 L18 L19 I47 A48 E49 T54 L55 | A15-V51 HydrophobicContact CB-CB 4.37Å; A15-V51 HydrophobicContact CB-CG1 4.21Å; A15-V51 HydrophobicContact CB-CG2 3.83Å; A15-V51 WeakPolarHBondContact O-CG1 3.17Å; L18-V51 HydrophobicContact CB-CG1 4.46Å; L18-V51 HydrophobicContact CD1-CG1 4.4Å; L19-V51 HydrophobicContact CD2-CG1 4.43Å; L19-V51 HydrophobicContact CG-CG1 4.36Å; I47-V51 WeakPolarHBondContact O-CG2 3.32Å; I47-V51 PolarHBondContact O-N 3.17Å; A48-V51 PolarHBondContact O-N 2.89Å; E49-V51 VanDerWaalsContact C-N 3.33Å; E49-V51 PolarHBondContact O-N 3.29Å; V51-T54 PolarHBondContact O-N 3.34Å; V51-L55 WeakPolarHBondContact O-CB 3.23Å; V51-L55 PolarHBondContact O-N 3.48Å |
| 52 | L | 94.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 178.6 | -69.8 | 172.6 | 0 | 0 | 0 | 112 | L30 V33 V34 M37 A48 E49 L55 K56 F80 | L30-L52 HydrophobicContact CD1-CD2 3.82Å; V33-L52 HydrophobicContact CG1-CD1 4.29Å; V33-L52 HydrophobicContact CG1-CD2 4.08Å; V33-L52 HydrophobicContact CG1-CG 3.93Å; V34-L52 HydrophobicContact CG2-CD1 4.21Å; V34-L52 HydrophobicContact CG2-CD2 3.82Å; M37-L52 HydrophobicContact CB-CD1 3.78Å; M37-L52 HydrophobicContact CG-CD1 3.95Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.24Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 2.93Å; E49-L52 PolarHBondContact O-N 2.9Å; L52-L55 PolarHBondContact O-N 2.7Å; L52-K56 VanDerWaalsContact O-CB 3.28Å; L52-K56 WeakPolarHBondContact O-CB 3.49Å; L52-K56 PolarHBondContact O-N 2.7Å; L52-F80 HydrophobicContact CB-CE2 3.88Å; L52-F80 HydrophobicContact CB-CZ 4.09Å; L52-F80 HydrophobicContact CD2-CD1 4.35Å; L52-F80 HydrophobicContact CD2-CD2 4.48Å; L52-F80 HydrophobicContact CD2-CE1 3.93Å; L52-F80 HydrophobicContact CD2-CE2 4.07Å; L52-F80 HydrophobicContact CD2-CZ 3.78Å; L52-F80 HydrophobicContact CG-CE2 4.48Å; L52-F80 WeakPolarHBondContact O-CZ 3.31Å |
| 53 | N | 92.6 | Very high | 90.8 | Very high | 67 Ų | 67 | 64.2 Ų | 64.2 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.8 | -74.4 | -21 | 0 | 0 | 0 | 111.2 | E49 L55 K56 E57 | E49-N53 WeakPolarHBondContact O-CB 3.14Å; E49-N53 PolarHBondContact O-N 2.97Å; E49-N53 PolarHBondContact O-ND2 3.32Å; N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.46Å; N53-K56 PolarHBondContact O-N 2.95Å; N53-E57 WeakPolarHBondContact O-CB 3.45Å; N53-E57 WeakPolarHBondContact O-CG 3.23Å; N53-E57 PolarHBondContact O-N 3.38Å |
| 54 | T | 93 | Very high | 91 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | L19 K50 V51 H58 | L19-T54 HydrophobicContact CD1-CG2 3.79Å; L19-T54 HydrophobicContact CD2-CG2 4.03Å; K50-T54 WeakPolarHBondContact O-CB 3.32Å; K50-T54 PolarHBondContact O-N 2.92Å; K50-T54 PolarHBondContact O-OG1 2.86Å; V51-T54 PolarHBondContact O-N 3.34Å; T54-H58 PolarHBondContact O-N 3.31Å |
| 55 | L | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.1 | 179.5 | 58.8 | 0 | 0 | 0 | 111 | L19 F21 L30 V51 L52 N53 H58 A61 F80 | L19-L55 HydrophobicContact CD2-CB 3.68Å; L19-L55 HydrophobicContact CD2-CD1 4.33Å; F21-L55 HydrophobicContact CE2-CD1 4.18Å; F21-L55 HydrophobicContact CZ-CD1 3.79Å; L30-L55 HydrophobicContact CD1-CD2 4.11Å; V51-L55 WeakPolarHBondContact O-CB 3.23Å; V51-L55 PolarHBondContact O-N 3.48Å; L52-L55 PolarHBondContact O-N 2.7Å; N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.46Å; L55-H58 WeakPolarHBondContact O-CB 3.4Å; L55-H58 PolarHBondContact O-N 3.04Å; L55-A61 WeakPolarHBondContact O-CB 3.48Å; L55-F80 HydrophobicContact CB-CZ 4.45Å; L55-F80 HydrophobicContact CD2-CE1 3.9Å; L55-F80 HydrophobicContact CD2-CZ 4.26Å; L55-F80 HydrophobicContact CG-CE1 4.41Å; L55-F80 HydrophobicContact CG-CZ 4.42Å |
| 56 | K | 92 | Very high | 91.1 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | -178.7 | -179.7 | 177.6 | 175.9 | 179.7 | 0 | 113 | L52 N53 H58 F80 I84 | L52-K56 VanDerWaalsContact O-CB 3.28Å; L52-K56 WeakPolarHBondContact O-CB 3.49Å; L52-K56 PolarHBondContact O-N 2.7Å; N53-K56 PolarHBondContact O-N 2.95Å; K56-H58 VanDerWaalsContact C-N 3.32Å; K56-F80 HydrophobicContact CB-CE2 4.07Å; K56-F80 HydrophobicContact CB-CZ 4.09Å; K56-F80 HydrophobicContact CD-CE2 4.41Å; K56-I84 HydrophobicContact CB-CG1 4.28Å; K56-I84 HydrophobicContact CG-CG1 4.08Å |
| 57 | E | 88.9 | Confident | 91.1 | Very high | 158 Ų | 158 | 52.8 Ų | 52.8 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -79 | -14.5 | 178.7 | -70.6 | 178 | 176.5 | 0 | 0 | 113.2 | N53 | N53-E57 WeakPolarHBondContact O-CB 3.45Å; N53-E57 WeakPolarHBondContact O-CG 3.23Å; N53-E57 PolarHBondContact O-N 3.38Å |
| 58 | H | 90.4 | Very high | 91.3 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 29% | 0.292 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -64.3 | 132.1 | -179.1 | -167.7 | -84.9 | 0 | 0 | 0 | 111.3 | F21 T54 L55 K56 D60 A61 | F21-H58 AromaticContact CD2-CD2 3.9Å; F21-H58 AromaticContact CD2-CE1 3.43Å; F21-H58 VanDerWaalsContact CD2-CE1 3.43Å; F21-H58 WeakPolarHBondContact CD2-CE1 3.36Å; F21-H58 AromaticContact CD2-CG 3.9Å; F21-H58 AromaticContact CD2-ND1 3.6Å; F21-H58 AromaticContact CD2-NE2 3.62Å; F21-H58 AromaticContact CE1-ND1 3.62Å; F21-H58 HydrophobicContact CE2-CB 3.79Å; F21-H58 AromaticContact CE2-CD2 3.55Å; F21-H58 AromaticContact CE2-CE1 3.54Å; F21-H58 AromaticContact CE2-CG 3.2Å; F21-H58 AromaticContact CE2-ND1 3.19Å; F21-H58 WeakPolarHBondContact CE2-ND1 3.35Å; F21-H58 AromaticContact CE2-NE2 3.76Å; F21-H58 AromaticContact CG-CE1 3.74Å; F21-H58 HydrophobicContact CZ-CB 3.75Å; F21-H58 AromaticContact CZ-CE1 3.9Å; F21-H58 AromaticContact CZ-CG 3.46Å; F21-H58 VanDerWaalsContact CZ-CG 3.46Å; F21-H58 AromaticContact CZ-ND1 3.19Å; F21-H58 WeakPolarHBondContact CZ-ND1 3.27Å; T54-H58 PolarHBondContact O-N 3.31Å; L55-H58 WeakPolarHBondContact O-CB 3.4Å; L55-H58 PolarHBondContact O-N 3.04Å; K56-H58 VanDerWaalsContact C-N 3.32Å; H58-D60 IonicContact CE1-OD2 3.58Å; H58-D60 PolarHBondContact ND1-N 3.37Å; H58-D60 VanDerWaalsContact ND1-N 3.17Å; H58-D60 PolarHBondContact O-N 3.4Å; H58-D60 VanDerWaalsContact O-N 3.08Å; H58-A61 HydrophobicContact CB-CB 4.3Å; H58-A61 WeakPolarHBondContact O-CB 3.27Å; H58-A61 PolarHBondContact O-N 2.59Å |
| 59 | P | 86.3 | Confident | 91.3 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.4 | -175 | 22.3 | -35.1 | 0 | 0 | 0 | 114.3 | W62 R92 | P59-W62 VanDerWaalsContact O-CD1 3.25Å; P59-R92 VanDerWaalsContact CB-NH1 3.34Å |
| 60 | D | 90 | Very high | 91.1 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.5 | -178.3 | -56.3 | -33.1 | 0 | 0 | 0 | 113.8 | F21 H58 W62 M63 | F21-D60 HydrophobicContact CD1-CB 3.88Å; F21-D60 HydrophobicContact CE1-CB 3.94Å; F21-D60 WeakPolarHBondContact CE1-O 3.47Å; H58-D60 IonicContact CE1-OD2 3.58Å; H58-D60 PolarHBondContact ND1-N 3.37Å; H58-D60 VanDerWaalsContact ND1-N 3.17Å; H58-D60 PolarHBondContact O-N 3.4Å; H58-D60 VanDerWaalsContact O-N 3.08Å; D60-W62 PolarHBondContact O-N 2.93Å; D60-W62 VanDerWaalsContact O-N 3.14Å; D60-M63 HydrophobicContact CB-CE 3.69Å; D60-M63 HydrophobicContact CB-SD 4.24Å; D60-M63 WeakPolarHBondContact O-CB 3.39Å; D60-M63 PolarHBondContact O-N 3.4Å; D60-M63 WeakPolarHBondContact OD1-CE 3.49Å |
| 61 | A | 90.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -55.2 | -35.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | F21 L55 H58 M63 R64 I84 | F21-A61 HydrophobicContact CZ-CB 4.38Å; L55-A61 WeakPolarHBondContact O-CB 3.48Å; H58-A61 HydrophobicContact CB-CB 4.3Å; H58-A61 WeakPolarHBondContact O-CB 3.27Å; H58-A61 PolarHBondContact O-N 2.59Å; A61-M63 PolarHBondContact O-N 2.84Å; A61-R64 WeakPolarHBondContact O-CB 3.32Å; A61-R64 PolarHBondContact O-N 3.1Å; A61-R64 VanDerWaalsContact O-N 3.1Å; A61-I84 HydrophobicContact CB-CD1 4.32Å; A61-I84 HydrophobicContact CB-CG2 3.69Å |
| 62 | W | 90.6 | Very high | 91.1 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.9 | -26.4 | -179.5 | 72.6 | -87.4 | 0 | 0 | 0 | 113.6 | P59 D60 R64 V65 I84 L88 L96 | P59-W62 VanDerWaalsContact O-CD1 3.25Å; D60-W62 PolarHBondContact O-N 2.93Å; D60-W62 VanDerWaalsContact O-N 3.14Å; W62-R64 PolarHBondContact O-N 3.26Å; W62-R64 VanDerWaalsContact O-N 3.11Å; W62-V65 WeakPolarHBondContact O-CB 3.31Å; W62-V65 PolarHBondContact O-N 3.49Å; W62-V65 VanDerWaalsContact O-N 3.14Å; W62-I84 HydrophobicContact CB-CG2 4.19Å; W62-L88 HydrophobicContact CB-CB 4.24Å; W62-L88 HydrophobicContact CB-CD1 4.23Å; W62-L88 HydrophobicContact CB-CD2 3.71Å; W62-L88 HydrophobicContact CB-CG 4.27Å; W62-L88 HydrophobicContact CD2-CD1 4.26Å; W62-L88 HydrophobicContact CD2-CD2 3.7Å; W62-L88 HydrophobicContact CE3-CD2 3.85Å; W62-L88 HydrophobicContact CG-CD1 3.79Å; W62-L88 HydrophobicContact CG-CD2 3.65Å; W62-L88 HydrophobicContact CG-CG 4.22Å; W62-L96 HydrophobicContact CH2-CD2 4.26Å; W62-L96 HydrophobicContact CZ2-CD2 4.07Å |
| 63 | M | 90.4 | Very high | 90.7 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 51% | 0.507 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -68.5 | -7.3 | 177.5 | -56.8 | -175.4 | -152.3 | 0 | 0 | 113 | D60 A61 | D60-M63 HydrophobicContact CB-CE 3.69Å; D60-M63 HydrophobicContact CB-SD 4.24Å; D60-M63 WeakPolarHBondContact O-CB 3.39Å; D60-M63 PolarHBondContact O-N 3.4Å; D60-M63 WeakPolarHBondContact OD1-CE 3.49Å; A61-M63 PolarHBondContact O-N 2.84Å |
| 64 | R | 91.7 | Very high | 90.6 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -102.9 | -10.6 | 177.1 | -64.3 | 174.6 | 163 | -164.4 | -15.6 | 112.7 | L18 D20 F21 Q23 L25 A61 W62 D66 S67 I68 | L18-R64 PolarHBondContact O-NH1 2.94Å; D20-R64 PolarHBondContact O-NH2 3.47Å; F21-R64 HydrophobicContact CE1-CG 4.41Å; Q23-R64 PolarHBondContact O-NH2 2.96Å; Q23-R64 VanDerWaalsContact O-NH2 3.1Å; L25-R64 HydrophobicContact CD2-CB 3.97Å; L25-R64 HydrophobicContact CD2-CG 4.42Å; A61-R64 WeakPolarHBondContact O-CB 3.32Å; A61-R64 PolarHBondContact O-N 3.1Å; A61-R64 VanDerWaalsContact O-N 3.1Å; W62-R64 PolarHBondContact O-N 3.26Å; W62-R64 VanDerWaalsContact O-N 3.11Å; R64-D66 PolarHBondContact O-N 3.26Å; R64-S67 PolarHBondContact O-N 2.93Å; R64-S67 PolarHBondContact O-OG 3.31Å; R64-I68 HydrophobicContact CB-CD1 4.32Å; R64-I68 VanDerWaalsContact O-CG1 3.29Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 2.94Å |
| 65 | V | 92.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | -171 | 167.3 | 0 | 0 | 0 | 0 | 112 | W62 S67 I68 L69 A81 I84 L85 | W62-V65 WeakPolarHBondContact O-CB 3.31Å; W62-V65 PolarHBondContact O-N 3.49Å; W62-V65 VanDerWaalsContact O-N 3.14Å; V65-S67 PolarHBondContact O-N 3.33Å; V65-I68 PolarHBondContact O-N 3.39Å; V65-L69 HydrophobicContact CG1-CD1 3.64Å; V65-L69 HydrophobicContact CG1-CG 4.14Å; V65-L69 WeakPolarHBondContact O-CB 3.24Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.37Å; V65-L69 PolarHBondContact O-N 2.93Å; V65-A81 HydrophobicContact CG1-CB 4.26Å; V65-A81 WeakPolarHBondContact CG2-O 3.5Å; V65-I84 HydrophobicContact CG2-CB 3.95Å; V65-I84 HydrophobicContact CG2-CG2 3.82Å; V65-L85 HydrophobicContact CG1-CB 4.17Å; V65-L85 HydrophobicContact CG1-CD2 4.31Å; V65-L85 HydrophobicContact CG2-CB 4.49Å |
| 66 | D | 88.2 | Confident | 90.3 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 176.7 | 62.4 | -27.6 | 0 | 0 | 0 | 111.5 | R64 I68 L69 E70 | R64-D66 PolarHBondContact O-N 3.26Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.43Å; D66-L69 PolarHBondContact O-N 2.89Å; D66-E70 WeakPolarHBondContact O-CB 3.5Å; D66-E70 PolarHBondContact O-N 3.21Å |
| 67 | S | 90.2 | Very high | 90.4 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 178.6 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | R64 V65 F71 | R64-S67 PolarHBondContact O-N 2.93Å; R64-S67 PolarHBondContact O-OG 3.31Å; V65-S67 PolarHBondContact O-N 3.33Å; S67-F71 WeakPolarHBondContact O-CB 3.45Å; S67-F71 WeakPolarHBondContact O-CD2 3.4Å; S67-F71 PolarHBondContact O-N 3.06Å |
| 68 | I | 93.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -46.6 | 177 | -61.7 | 163.4 | 0 | 0 | 0 | 110.3 | L25 I27 L30 R64 V65 D66 E70 S72 T77 A81 | L25-I68 HydrophobicContact CD2-CD1 3.7Å; L25-I68 HydrophobicContact CD2-CG1 3.51Å; I27-I68 HydrophobicContact CD1-CB 4.45Å; I27-I68 HydrophobicContact CD1-CG1 3.85Å; L30-I68 HydrophobicContact CD2-CD1 3.75Å; L30-I68 HydrophobicContact CD2-CG1 3.81Å; L30-I68 HydrophobicContact CD2-CG2 4.09Å; R64-I68 HydrophobicContact CB-CD1 4.32Å; R64-I68 VanDerWaalsContact O-CG1 3.29Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 2.94Å; V65-I68 PolarHBondContact O-N 3.39Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.43Å; I68-E70 VanDerWaalsContact C-N 3.31Å; I68-E70 PolarHBondContact O-N 3.45Å; I68-S72 WeakPolarHBondContact O-CB 3.26Å; I68-S72 PolarHBondContact O-N 3.31Å; I68-T77 HydrophobicContact CG2-CG2 3.57Å; I68-A81 HydrophobicContact CB-CB 3.83Å; I68-A81 HydrophobicContact CD1-CB 4.08Å; I68-A81 HydrophobicContact CG2-CB 3.6Å |
| 69 | L | 91.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | -178.9 | -67.7 | 176.5 | 0 | 0 | 0 | 112.5 | V65 D66 K78 A81 L82 Y107 L111 Y128 | V65-L69 HydrophobicContact CG1-CD1 3.64Å; V65-L69 HydrophobicContact CG1-CG 4.14Å; V65-L69 WeakPolarHBondContact O-CB 3.24Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.37Å; V65-L69 PolarHBondContact O-N 2.93Å; D66-L69 PolarHBondContact O-N 2.89Å; L69-K78 HydrophobicContact CD2-CB 3.89Å; L69-K78 HydrophobicContact CD2-CG 4.13Å; L69-A81 HydrophobicContact CD2-CB 4.1Å; L69-A81 HydrophobicContact CG-CB 4.24Å; L69-L82 HydrophobicContact CD1-CD2 3.84Å; L69-L82 HydrophobicContact CD2-CD2 4Å; L69-L82 HydrophobicContact CD2-CG 4.17Å; L69-Y107 HydrophobicContact CD1-CE1 3.86Å; L69-L111 HydrophobicContact CD1-CD1 4.16Å; L69-Y128 HydrophobicContact CD2-CE2 4.11Å |
| 70 | E | 88.8 | Confident | 91 | Very high | 129 Ų | 129 | 49 Ų | 49 | 60% | 0.603 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -76.9 | -45.3 | 178 | -172 | 175.8 | -177.5 | 0 | 0 | 113.1 | D66 I68 | D66-E70 WeakPolarHBondContact O-CB 3.5Å; D66-E70 PolarHBondContact O-N 3.21Å; I68-E70 VanDerWaalsContact C-N 3.31Å; I68-E70 PolarHBondContact O-N 3.45Å |
| 71 | F | 92.5 | Very high | 91.2 | Very high | 134 Ų | 134 | 46 Ų | 46 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -104.5 | -17.1 | -168.6 | -59.5 | -61.8 | 0 | 0 | 0 | 115.2 | I27 S67 | I27-F71 HydrophobicContact CG1-CB 4.17Å; I27-F71 HydrophobicContact CG2-CB 4.45Å; S67-F71 WeakPolarHBondContact O-CB 3.45Å; S67-F71 WeakPolarHBondContact O-CD2 3.4Å; S67-F71 PolarHBondContact O-N 3.06Å |
| 72 | S | 92.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | trans | -73.1 | 135.5 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | D31 I68 N74 T77 K78 | D31-S72 PolarHBondContact OD1-OG 2.88Å; D31-S72 PolarHBondContact OD2-OG 3.43Å; I68-S72 WeakPolarHBondContact O-CB 3.26Å; I68-S72 PolarHBondContact O-N 3.31Å; S72-N74 PolarHBondContact OG-N 3.19Å; S72-N74 PolarHBondContact OG-O 3.06Å; S72-T77 WeakPolarHBondContact OG-CB 3.29Å; S72-K78 WeakPolarHBondContact O-CE 3.05Å | ||
| 73 | S | 85.8 | Confident | 91.6 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 80% | 0.804 | 23% | 0.229 | S | C | * | . | trans | -90.7 | -8.9 | 171 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 74 | N | 89.3 | Confident | 91.8 | Very high | 18 Ų | 18 | 41 Ų | 41 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | trans | -95.9 | 124.7 | -176.7 | -172.9 | -7 | 0 | 0 | 0 | 111.9 | D31 N35 S72 E76 T77 K78 | D31-N74 HydrophobicContact CB-CB 4.49Å; N35-N74 PolarHBondContact OD1-ND2 3.46Å; S72-N74 PolarHBondContact OG-N 3.19Å; S72-N74 PolarHBondContact OG-O 3.06Å; N74-E76 VanDerWaalsContact C-N 3.34Å; N74-E76 PolarHBondContact ND2-OE2 3.26Å; N74-E76 PolarHBondContact O-N 3.09Å; N74-E76 PolarHBondContact OD1-N 2.92Å; N74-E76 PolarHBondContact OD1-OE2 2.91Å; N74-T77 PolarHBondContact O-N 3.38Å; N74-K78 WeakPolarHBondContact O-CG 3.41Å; N74-K78 PolarHBondContact O-N 2.93Å | ||
| 75 | Q | 88.2 | Confident | 91.9 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 34% | 0.341 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -36.4 | 174.7 | -163.3 | 177.5 | 28.5 | 0 | 0 | 112.8 | K78 Y79 | Q75-K78 PolarHBondContact O-N 3.38Å; Q75-Y79 WeakPolarHBondContact O-CB 3.39Å; Q75-Y79 PolarHBondContact O-N 2.86Å |
| 76 | E | 91.4 | Very high | 92 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -40 | 176.5 | -65.1 | 102.3 | -154.3 | 0 | 0 | 111.6 | V34 Y38 N74 Y79 F80 | V34-E76 HydrophobicContact CG1-CB 3.63Å; Y38-E76 HydrophobicContact CD2-CB 3.88Å; Y38-E76 HydrophobicContact CD2-CG 3.91Å; Y38-E76 HydrophobicContact CE2-CB 3.75Å; Y38-E76 HydrophobicContact CE2-CG 4.04Å; Y38-E76 HydrophobicContact CG-CG 4.18Å; N74-E76 VanDerWaalsContact C-N 3.34Å; N74-E76 PolarHBondContact ND2-OE2 3.26Å; N74-E76 PolarHBondContact O-N 3.09Å; N74-E76 PolarHBondContact OD1-N 2.92Å; N74-E76 PolarHBondContact OD1-OE2 2.91Å; E76-Y79 WeakPolarHBondContact O-CB 3.22Å; E76-Y79 PolarHBondContact O-N 3.35Å; E76-F80 PolarHBondContact O-N 3.42Å |
| 77 | T | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.5 | -55 | 0 | 0 | 0 | 0 | 111.3 | L30 D31 V34 I68 S72 N74 Y79 F80 A81 | L30-T77 HydrophobicContact CD2-CG2 3.52Å; L30-T77 HydrophobicContact CG-CG2 3.69Å; D31-T77 WeakPolarHBondContact OD1-CB 3Å; D31-T77 VanDerWaalsContact OD1-CG2 3.27Å; D31-T77 WeakPolarHBondContact OD1-CG2 3.45Å; D31-T77 PolarHBondContact OD1-OG1 3.26Å; V34-T77 HydrophobicContact CG2-CG2 4.34Å; I68-T77 HydrophobicContact CG2-CG2 3.57Å; S72-T77 WeakPolarHBondContact OG-CB 3.29Å; N74-T77 PolarHBondContact O-N 3.38Å; T77-Y79 VanDerWaalsContact C-N 3.31Å; T77-Y79 PolarHBondContact O-N 3.39Å; T77-F80 WeakPolarHBondContact O-CB 3.35Å; T77-F80 PolarHBondContact O-N 3.24Å; T77-A81 PolarHBondContact O-N 3.14Å |
| 78 | K | 93.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 172.4 | -69.9 | -176.1 | -177.5 | -176.7 | 0 | 111.3 | L69 S72 N74 Q75 F80 A81 L82 Y128 | L69-K78 HydrophobicContact CD2-CB 3.89Å; L69-K78 HydrophobicContact CD2-CG 4.13Å; S72-K78 WeakPolarHBondContact O-CE 3.05Å; N74-K78 WeakPolarHBondContact O-CG 3.41Å; N74-K78 PolarHBondContact O-N 2.93Å; Q75-K78 PolarHBondContact O-N 3.38Å; K78-F80 PolarHBondContact O-N 3.46Å; K78-A81 PolarHBondContact O-N 2.9Å; K78-L82 WeakPolarHBondContact O-CG 3.46Å; K78-L82 PolarHBondContact O-N 3.48Å; K78-Y128 HydrophobicContact CB-CD2 4.12Å; K78-Y128 HydrophobicContact CB-CE2 3.81Å; K78-Y128 HydrophobicContact CD-CE2 4.31Å |
| 79 | Y | 92.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 28% | 0.275 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | 175.4 | -166.1 | -82.2 | 0 | 0 | 0 | 111.8 | Q75 E76 T77 A81 L82 Q83 T127 K131 | Q75-Y79 WeakPolarHBondContact O-CB 3.39Å; Q75-Y79 PolarHBondContact O-N 2.86Å; E76-Y79 WeakPolarHBondContact O-CB 3.22Å; E76-Y79 PolarHBondContact O-N 3.35Å; T77-Y79 VanDerWaalsContact C-N 3.31Å; T77-Y79 PolarHBondContact O-N 3.39Å; Y79-A81 PolarHBondContact O-N 3.4Å; Y79-L82 WeakPolarHBondContact O-CB 3.4Å; Y79-L82 PolarHBondContact O-N 2.89Å; Y79-Q83 HydrophobicContact CD1-CG 4.14Å; Y79-Q83 HydrophobicContact CE1-CG 4.08Å; Y79-Q83 WeakPolarHBondContact O-CG 3.22Å; Y79-Q83 PolarHBondContact O-N 3.39Å; Y79-T127 HydrophobicContact CD2-CG2 4.38Å; Y79-T127 HydrophobicContact CE2-CG2 4.26Å; Y79-K131 HydrophobicContact CD2-CB 3.9Å; Y79-K131 HydrophobicContact CD2-CG 3.99Å; Y79-K131 HydrophobicContact CE1-CD 4.46Å; Y79-K131 HydrophobicContact CE2-CB 3.59Å; Y79-K131 HydrophobicContact CE2-CD 3.92Å; Y79-K131 HydrophobicContact CE2-CG 3.71Å |
| 80 | F | 93.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 173.9 | 174.4 | -101.7 | 0 | 0 | 0 | 112.1 | L30 L52 L55 K56 E76 T77 K78 L82 Q83 I84 | L30-F80 HydrophobicContact CD1-CE1 4.38Å; L52-F80 HydrophobicContact CB-CE2 3.88Å; L52-F80 HydrophobicContact CB-CZ 4.09Å; L52-F80 HydrophobicContact CD2-CD1 4.35Å; L52-F80 HydrophobicContact CD2-CD2 4.48Å; L52-F80 HydrophobicContact CD2-CE1 3.93Å; L52-F80 HydrophobicContact CD2-CE2 4.07Å; L52-F80 HydrophobicContact CD2-CZ 3.78Å; L52-F80 HydrophobicContact CG-CE2 4.48Å; L52-F80 WeakPolarHBondContact O-CZ 3.31Å; L55-F80 HydrophobicContact CB-CZ 4.45Å; L55-F80 HydrophobicContact CD2-CE1 3.9Å; L55-F80 HydrophobicContact CD2-CZ 4.26Å; L55-F80 HydrophobicContact CG-CE1 4.41Å; L55-F80 HydrophobicContact CG-CZ 4.42Å; K56-F80 HydrophobicContact CB-CE2 4.07Å; K56-F80 HydrophobicContact CB-CZ 4.09Å; K56-F80 HydrophobicContact CD-CE2 4.41Å; E76-F80 PolarHBondContact O-N 3.42Å; T77-F80 WeakPolarHBondContact O-CB 3.35Å; T77-F80 PolarHBondContact O-N 3.24Å; K78-F80 PolarHBondContact O-N 3.46Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.15Å; F80-Q83 WeakPolarHBondContact O-CB 3.43Å; F80-Q83 PolarHBondContact O-N 2.95Å; F80-I84 HydrophobicContact CD1-CD1 4.16Å; F80-I84 HydrophobicContact CE1-CD1 3.6Å; F80-I84 HydrophobicContact CE1-CG1 4.4Å; F80-I84 HydrophobicContact CZ-CD1 3.97Å; F80-I84 HydrophobicContact CZ-CG1 4.43Å; F80-I84 PolarHBondContact O-N 3.19Å; F80-I84 VanDerWaalsContact O-N 3.16Å |
| 81 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V65 I68 L69 T77 K78 Y79 Q83 I84 L85 | V65-A81 HydrophobicContact CG1-CB 4.26Å; V65-A81 WeakPolarHBondContact CG2-O 3.5Å; I68-A81 HydrophobicContact CB-CB 3.83Å; I68-A81 HydrophobicContact CD1-CB 4.08Å; I68-A81 HydrophobicContact CG2-CB 3.6Å; L69-A81 HydrophobicContact CD2-CB 4.1Å; L69-A81 HydrophobicContact CG-CB 4.24Å; T77-A81 PolarHBondContact O-N 3.14Å; K78-A81 PolarHBondContact O-N 2.9Å; Y79-A81 PolarHBondContact O-N 3.4Å; A81-Q83 VanDerWaalsContact C-N 3.3Å; A81-Q83 PolarHBondContact O-N 2.98Å; A81-I84 WeakPolarHBondContact O-CB 3.27Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-L85 PolarHBondContact O-N 3.04Å |
| 82 | L | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 172.9 | -72 | -168.9 | 0 | 0 | 0 | 112.4 | L69 K78 Y79 F80 L85 E86 I108 Y128 K131 L132 I135 | L69-L82 HydrophobicContact CD1-CD2 3.84Å; L69-L82 HydrophobicContact CD2-CD2 4Å; L69-L82 HydrophobicContact CD2-CG 4.17Å; K78-L82 WeakPolarHBondContact O-CG 3.46Å; K78-L82 PolarHBondContact O-N 3.48Å; Y79-L82 WeakPolarHBondContact O-CB 3.4Å; Y79-L82 PolarHBondContact O-N 2.89Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 3.08Å; L82-E86 WeakPolarHBondContact O-CB 3.39Å; L82-E86 PolarHBondContact O-N 3.44Å; L82-I108 HydrophobicContact CD2-CD1 4.42Å; L82-Y128 HydrophobicContact CD1-CD2 3.72Å; L82-Y128 HydrophobicContact CD1-CE2 3.47Å; L82-Y128 VanDerWaalsContact CD1-CE2 3.47Å; L82-Y128 HydrophobicContact CG-CE2 4.06Å; L82-K131 HydrophobicContact CB-CG 3.8Å; L82-K131 HydrophobicContact CD1-CB 3.86Å; L82-K131 HydrophobicContact CD1-CG 3.68Å; L82-K131 HydrophobicContact CG-CG 4.42Å; L82-L132 HydrophobicContact CD1-CD2 3.78Å; L82-L132 HydrophobicContact CD1-CG 3.89Å; L82-L132 HydrophobicContact CD2-CD2 3.72Å; L82-L132 HydrophobicContact CG-CD2 4.42Å; L82-I135 HydrophobicContact CB-CD1 3.49Å; L82-I135 VanDerWaalsContact CB-CD1 3.49Å; L82-I135 HydrophobicContact CD1-CD1 4.12Å; L82-I135 HydrophobicContact CD2-CD1 3.56Å; L82-I135 HydrophobicContact CG-CD1 3.87Å; L82-I135 WeakPolarHBondContact O-CD1 3.48Å |
| 83 | Q | 93.9 | Very high | 92.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 172.8 | -65.3 | -176 | 0.5 | 0 | 0 | 113 | Y79 F80 A81 L85 A87 | Y79-Q83 HydrophobicContact CD1-CG 4.14Å; Y79-Q83 HydrophobicContact CE1-CG 4.08Å; Y79-Q83 WeakPolarHBondContact O-CG 3.22Å; Y79-Q83 PolarHBondContact O-N 3.39Å; F80-Q83 WeakPolarHBondContact O-CB 3.43Å; F80-Q83 PolarHBondContact O-N 2.95Å; A81-Q83 VanDerWaalsContact C-N 3.3Å; A81-Q83 PolarHBondContact O-N 2.98Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 2.97Å |
| 84 | I | 94.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 174.7 | -64.6 | 171 | 0 | 0 | 0 | 109.5 | K56 A61 W62 V65 F80 A81 A87 L88 | K56-I84 HydrophobicContact CB-CG1 4.28Å; K56-I84 HydrophobicContact CG-CG1 4.08Å; A61-I84 HydrophobicContact CB-CD1 4.32Å; A61-I84 HydrophobicContact CB-CG2 3.69Å; W62-I84 HydrophobicContact CB-CG2 4.19Å; V65-I84 HydrophobicContact CG2-CB 3.95Å; V65-I84 HydrophobicContact CG2-CG2 3.82Å; F80-I84 HydrophobicContact CD1-CD1 4.16Å; F80-I84 HydrophobicContact CE1-CD1 3.6Å; F80-I84 HydrophobicContact CE1-CG1 4.4Å; F80-I84 HydrophobicContact CZ-CD1 3.97Å; F80-I84 HydrophobicContact CZ-CG1 4.43Å; F80-I84 PolarHBondContact O-N 3.19Å; F80-I84 VanDerWaalsContact O-N 3.16Å; A81-I84 WeakPolarHBondContact O-CB 3.27Å; A81-I84 PolarHBondContact O-N 3.17Å; I84-A87 PolarHBondContact O-N 3.25Å; I84-L88 PolarHBondContact O-N 3.45Å |
| 85 | L | 94.6 | Very high | 92 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 179.7 | -168.9 | 61.9 | 0 | 0 | 0 | 112.4 | V65 A81 L82 Q83 A87 L88 I89 I104 I108 I135 | V65-L85 HydrophobicContact CG1-CB 4.17Å; V65-L85 HydrophobicContact CG1-CD2 4.31Å; V65-L85 HydrophobicContact CG2-CB 4.49Å; A81-L85 PolarHBondContact O-N 3.04Å; L82-L85 PolarHBondContact O-N 3.08Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.42Å; L85-L88 HydrophobicContact CD1-CD2 4.15Å; L85-L88 WeakPolarHBondContact O-CB 3.36Å; L85-L88 PolarHBondContact O-N 3.5Å; L85-I89 HydrophobicContact CG-CD1 3.99Å; L85-I89 WeakPolarHBondContact O-CD1 3.48Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 3.45Å; L85-I104 HydrophobicContact CD1-CD1 4.3Å; L85-I104 HydrophobicContact CD1-CG2 4.05Å; L85-I104 HydrophobicContact CD2-CG2 4.22Å; L85-I104 HydrophobicContact CG-CG2 4.48Å; L85-I108 HydrophobicContact CD2-CD1 3.61Å; L85-I108 HydrophobicContact CD2-CG1 4.05Å; L85-I135 HydrophobicContact CD2-CG2 4.29Å |
| 86 | E | 94.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 15% | 0.145 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 173.9 | -176.5 | -172.2 | -164.6 | 0 | 0 | 111.5 | L82 L88 I89 K90 K131 I135 E138 | L82-E86 WeakPolarHBondContact O-CB 3.39Å; L82-E86 PolarHBondContact O-N 3.44Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.43Å; E86-I89 PolarHBondContact O-N 3.48Å; E86-K90 HydrophobicContact CG-CD 4.09Å; E86-K90 HydrophobicContact CG-CG 4.49Å; E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 WeakPolarHBondContact O-CG 3.31Å; E86-K90 PolarHBondContact O-N 2.74Å; E86-K90 IonicContact OE1-NZ 3.54Å; E86-K90 PolarHBondContact OE1-NZ 2.95Å; E86-K131 IonicContact OE1-NZ 3.61Å; E86-K131 WeakPolarHBondContact OE2-CE 3.5Å; E86-K131 IonicContact OE2-NZ 2.63Å; E86-K131 PolarHBondContact OE2-NZ 3.1Å; E86-I135 HydrophobicContact CB-CG1 4.23Å; E86-E138 HydrophobicContact CG-CG 4.41Å |
| 87 | A | 92.1 | Very high | 92 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 31% | 0.314 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q83 I84 L85 T91 | Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 2.97Å; I84-A87 PolarHBondContact O-N 3.25Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.42Å; A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 WeakPolarHBondContact O-CG2 3.49Å; A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 VanDerWaalsContact O-N 3.13Å; A87-T91 PolarHBondContact O-OG1 2.88Å |
| 88 | L | 93.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 173.7 | -179.3 | 75.9 | 0 | 0 | 0 | 111.4 | W62 I84 L85 E86 T91 R92 W93 L96 I104 | W62-L88 HydrophobicContact CB-CB 4.24Å; W62-L88 HydrophobicContact CB-CD1 4.23Å; W62-L88 HydrophobicContact CB-CD2 3.71Å; W62-L88 HydrophobicContact CB-CG 4.27Å; W62-L88 HydrophobicContact CD2-CD1 4.26Å; W62-L88 HydrophobicContact CD2-CD2 3.7Å; W62-L88 HydrophobicContact CE3-CD2 3.85Å; W62-L88 HydrophobicContact CG-CD1 3.79Å; W62-L88 HydrophobicContact CG-CD2 3.65Å; W62-L88 HydrophobicContact CG-CG 4.22Å; I84-L88 PolarHBondContact O-N 3.45Å; L85-L88 HydrophobicContact CD1-CD2 4.15Å; L85-L88 WeakPolarHBondContact O-CB 3.36Å; L85-L88 PolarHBondContact O-N 3.5Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.43Å; L88-T91 PolarHBondContact O-N 3.28Å; L88-R92 HydrophobicContact CD1-CB 4.05Å; L88-R92 CarbonylContact O-C 3.57Å; L88-R92 WeakPolarHBondContact O-CA 3.49Å; L88-R92 PolarHBondContact O-N 3.46Å; L88-W93 PolarHBondContact O-N 3.33Å; L88-L96 HydrophobicContact CD1-CD2 4.38Å; L88-L96 HydrophobicContact CD2-CD1 3.75Å; L88-L96 HydrophobicContact CD2-CD2 4.48Å; L88-L96 HydrophobicContact CG-CD1 4.12Å; L88-I104 HydrophobicContact CD2-CD1 4.08Å |
| 89 | I | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -50.4 | -178.8 | -65.7 | 157.8 | 0 | 0 | 0 | 109.8 | L85 E86 T91 W93 I135 E138 I139 H142 | L85-I89 HydrophobicContact CG-CD1 3.99Å; L85-I89 WeakPolarHBondContact O-CD1 3.48Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 3.45Å; E86-I89 PolarHBondContact O-N 3.48Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.91Å; I89-W93 HydrophobicContact CB-CE3 4.15Å; I89-W93 HydrophobicContact CD1-CZ3 4.48Å; I89-W93 HydrophobicContact CG1-CE3 3.6Å; I89-W93 HydrophobicContact CG1-CZ3 3.71Å; I89-W93 HydrophobicContact CG2-CD2 4.39Å; I89-W93 HydrophobicContact CG2-CE3 4.11Å; I89-W93 WeakPolarHBondContact O-CB 3.35Å; I89-I135 HydrophobicContact CD1-CG2 3.58Å; I89-E138 HydrophobicContact CG2-CB 3.79Å; I89-I139 HydrophobicContact CD1-CD1 4.14Å; I89-I139 HydrophobicContact CD1-CG1 3.77Å; I89-I139 HydrophobicContact CG1-CG1 4.27Å; I89-I139 HydrophobicContact CG2-CG1 4.23Å; I89-H142 PolarHBondContact O-NE2 3.11Å |
| 90 | K | 90.5 | Very high | 91.7 | Very high | 68 Ų | 68 | 42 Ų | 42 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -30 | -179 | -75.3 | -178.1 | 172.4 | 172.5 | 0 | 114.2 | E86 E138 | E86-K90 HydrophobicContact CG-CD 4.09Å; E86-K90 HydrophobicContact CG-CG 4.49Å; E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 WeakPolarHBondContact O-CG 3.31Å; E86-K90 PolarHBondContact O-N 2.74Å; E86-K90 IonicContact OE1-NZ 3.54Å; E86-K90 PolarHBondContact OE1-NZ 2.95Å; K90-E138 WeakPolarHBondContact CE-OE1 3.46Å; K90-E138 WeakPolarHBondContact CE-OE2 3.33Å; K90-E138 IonicContact NZ-OE1 2.6Å; K90-E138 PolarHBondContact NZ-OE1 2.86Å |
| 91 | T | 88.5 | Confident | 91.7 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -114.4 | -30.1 | -168 | 63 | 0 | 0 | 0 | 0 | 114.7 | A87 L88 I89 V1031 | A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 WeakPolarHBondContact O-CG2 3.49Å; A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 VanDerWaalsContact O-N 3.13Å; A87-T91 PolarHBondContact O-OG1 2.88Å; L88-T91 PolarHBondContact O-N 3.28Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.91Å; T91-V1031 PolarHBondContact O-N 3.07Å |
| 92 | R | 89.5 | Confident | 91.6 | Very high | 106 Ų | 106 | 44.3 Ų | 44.3 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -134.2 | 9.5 | -169.3 | -64.4 | -176 | -176.2 | -173 | 1.1 | 114.2 | P59 L88 K94 V95 L96 V1031 | P59-R92 VanDerWaalsContact CB-NH1 3.34Å; L88-R92 HydrophobicContact CD1-CB 4.05Å; L88-R92 CarbonylContact O-C 3.57Å; L88-R92 WeakPolarHBondContact O-CA 3.49Å; L88-R92 PolarHBondContact O-N 3.46Å; R92-K94 PolarHBondContact O-N 3.32Å; R92-K94 VanDerWaalsContact O-N 3.14Å; R92-V95 PolarHBondContact O-N 2.68Å; R92-L96 PolarHBondContact O-N 3.25Å; R92-V1031 HydrophobicContact CG-CG2 4.27Å |
| 93 | W | 91.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -52.6 | -39.3 | -177.6 | -173.8 | -101.2 | 0 | 0 | 0 | 113.8 | L88 I89 V95 L96 C101 I104 I139 H142 E143 | L88-W93 PolarHBondContact O-N 3.33Å; I89-W93 HydrophobicContact CB-CE3 4.15Å; I89-W93 HydrophobicContact CD1-CZ3 4.48Å; I89-W93 HydrophobicContact CG1-CE3 3.6Å; I89-W93 HydrophobicContact CG1-CZ3 3.71Å; I89-W93 HydrophobicContact CG2-CD2 4.39Å; I89-W93 HydrophobicContact CG2-CE3 4.11Å; I89-W93 WeakPolarHBondContact O-CB 3.35Å; W93-V95 VanDerWaalsContact C-N 3.29Å; W93-V95 PolarHBondContact O-N 3.03Å; W93-L96 HydrophobicContact CE3-CD1 4.12Å; W93-L96 PolarHBondContact O-N 2.97Å; W93-C101 HydrophobicContact CH2-CB 4.15Å; W93-C101 HydrophobicContact CZ2-CB 3.75Å; W93-I104 HydrophobicContact CH2-CB 4.19Å; W93-I104 HydrophobicContact CH2-CG2 4.17Å; W93-I104 HydrophobicContact CZ3-CB 4.14Å; W93-I104 HydrophobicContact CZ3-CD1 4.09Å; W93-I104 HydrophobicContact CZ3-CG2 3.91Å; W93-I139 HydrophobicContact CH2-CD1 4.21Å; W93-I139 HydrophobicContact CH2-CG1 3.94Å; W93-I139 HydrophobicContact CH2-CG2 4.08Å; W93-I139 HydrophobicContact CZ2-CG1 4.4Å; W93-I139 HydrophobicContact CZ2-CG2 3.84Å; W93-I139 HydrophobicContact CZ3-CG1 4.21Å; W93-H142 AromaticContact CD1-CG 3.73Å; W93-H142 HydrophobicContact CG-CB 4.14Å; W93-E143 HydrophobicContact CZ2-CG 3.94Å; W93-E143 PolarHBondContact NE1-OE1 3.15Å |
| 94 | K | 86.5 | Confident | 91.5 | Very high | 43 Ų | 43 | 45 Ų | 45 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -73.7 | -16.7 | -177.6 | -59.1 | -179.6 | -174.2 | -177 | 0 | 114.5 | R92 E1030 G1033 D1038 | R92-K94 PolarHBondContact O-N 3.32Å; R92-K94 VanDerWaalsContact O-N 3.14Å; K94-E1030 IonicContact NZ-OE2 2.8Å; K94-G1033 WeakPolarHBondContact O-CA 3.4Å; K94-D1038 VanDerWaalsContact CE-CG 3.49Å; K94-D1038 WeakPolarHBondContact CE-OD1 3.37Å; K94-D1038 WeakPolarHBondContact CE-OD2 3.4Å; K94-D1038 IonicContact NZ-OD1 2.68Å; K94-D1038 PolarHBondContact NZ-OD1 3.15Å; K94-D1038 IonicContact NZ-OD2 3.79Å; K94-D1038 PolarHBondContact NZ-OD2 2.76Å |
| 95 | V | 87.7 | Confident | 91.5 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -90.6 | -22 | 179.3 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | R92 W93 V1031 | R92-V95 PolarHBondContact O-N 2.68Å; W93-V95 VanDerWaalsContact C-N 3.29Å; W93-V95 PolarHBondContact O-N 3.03Å; V95-V1031 HydrophobicContact CG2-CB 3.83Å; V95-V1031 HydrophobicContact CG2-CG1 3.34Å |
| 96 | L | 89.1 | Confident | 91.5 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -62.8 | 141.8 | 176.4 | -65 | 176.7 | 0 | 0 | 0 | 110.4 | W62 L88 R92 W93 R98 Q100 I104 | W62-L96 HydrophobicContact CH2-CD2 4.26Å; W62-L96 HydrophobicContact CZ2-CD2 4.07Å; L88-L96 HydrophobicContact CD1-CD2 4.38Å; L88-L96 HydrophobicContact CD2-CD1 3.75Å; L88-L96 HydrophobicContact CD2-CD2 4.48Å; L88-L96 HydrophobicContact CG-CD1 4.12Å; R92-L96 PolarHBondContact O-N 3.25Å; W93-L96 HydrophobicContact CE3-CD1 4.12Å; W93-L96 PolarHBondContact O-N 2.97Å; L96-R98 PolarHBondContact O-N 2.94Å; L96-Q100 HydrophobicContact CB-CB 4.48Å; L96-I104 HydrophobicContact CD1-CD1 3.89Å |
| 97 | A | 89.6 | Confident | 91.5 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | trans | -63.7 | 139.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P99 Q100 C101 | A97-P99 VanDerWaalsContact C-N 3.29Å; A97-P99 VanDerWaalsContact O-N 3.08Å; A97-Q100 HydrophobicContact CB-CG 4.36Å; A97-Q100 VanDerWaalsContact N-OE1 3.12Å; A97-Q100 WeakPolarHBondContact O-CA 3.27Å; A97-Q100 VanDerWaalsContact O-CB 3.27Å; A97-Q100 WeakPolarHBondContact O-CB 3.27Å; A97-Q100 PolarHBondContact O-N 2.91Å; A97-C101 PolarHBondContact O-N 2.88Å | ||
| 98 | R | 89.8 | Confident | 91.6 | Very high | 115 Ų | 115 | 53 Ų | 53 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -48.5 | -40.2 | -178.2 | -75.3 | -61 | -169.9 | -169.1 | -1.9 | 115.1 | L96 Q100 C101 E102 E143 N147 | L96-R98 PolarHBondContact O-N 2.94Å; R98-Q100 VanDerWaalsContact C-N 3.26Å; R98-Q100 PolarHBondContact O-N 3.22Å; R98-C101 WeakPolarHBondContact O-CB 3.31Å; R98-C101 PolarHBondContact O-N 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.39Å; R98-E102 PolarHBondContact O-N 3.14Å; R98-E143 IonicContact NH1-OE1 2.83Å; R98-E143 PolarHBondContact NH1-OE1 2.91Å; R98-E143 IonicContact NH1-OE2 2.65Å; R98-N147 PolarHBondContact NH2-ND2 3.43Å; R98-N147 VanDerWaalsContact NH2-ND2 3.1Å |
| 99 | P | 92.8 | Very high | 91.7 | Very high | 101 Ų | 101 | 54.7 Ų | 54.7 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.6 | -32 | 174.1 | -25 | 35.6 | 0 | 0 | 0 | 114.3 | A97 G103 | A97-P99 VanDerWaalsContact C-N 3.29Å; A97-P99 VanDerWaalsContact O-N 3.08Å; P99-G103 PolarHBondContact O-N 3.4Å |
| 100 | Q | 91.5 | Very high | 91.8 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.1 | -44 | 175.5 | -62.9 | 173.6 | -41.6 | 0 | 0 | 110.9 | L96 A97 R98 E102 G103 I104 | L96-Q100 HydrophobicContact CB-CB 4.48Å; A97-Q100 HydrophobicContact CB-CG 4.36Å; A97-Q100 VanDerWaalsContact N-OE1 3.12Å; A97-Q100 WeakPolarHBondContact O-CA 3.27Å; A97-Q100 VanDerWaalsContact O-CB 3.27Å; A97-Q100 WeakPolarHBondContact O-CB 3.27Å; A97-Q100 PolarHBondContact O-N 2.91Å; R98-Q100 VanDerWaalsContact C-N 3.26Å; R98-Q100 PolarHBondContact O-N 3.22Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.09Å; Q100-G103 PolarHBondContact O-N 2.97Å; Q100-G103 VanDerWaalsContact O-N 3.15Å; Q100-I104 WeakPolarHBondContact O-CG1 3.48Å; Q100-I104 PolarHBondContact O-N 2.87Å |
| 101 | C | 92.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -49 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | W93 A97 R98 G103 I104 K105 | W93-C101 HydrophobicContact CH2-CB 4.15Å; W93-C101 HydrophobicContact CZ2-CB 3.75Å; A97-C101 PolarHBondContact O-N 2.88Å; R98-C101 WeakPolarHBondContact O-CB 3.31Å; R98-C101 PolarHBondContact O-N 3.31Å; C101-G103 VanDerWaalsContact C-N 3.32Å; C101-G103 PolarHBondContact O-N 3.04Å; C101-I104 PolarHBondContact O-N 3.45Å; C101-K105 WeakPolarHBondContact O-CB 3.47Å; C101-K105 PolarHBondContact O-N 2.95Å |
| 102 | E | 93.4 | Very high | 92.2 | Very high | 59 Ų | 59 | 52 Ų | 52 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 176.4 | -72.9 | -57.7 | 126.9 | 0 | 0 | 112.8 | R98 Q100 K105 K106 | R98-E102 WeakPolarHBondContact O-CG 3.39Å; R98-E102 PolarHBondContact O-N 3.14Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.09Å; E102-K105 WeakPolarHBondContact OE1-CE 3.43Å; E102-K105 IonicContact OE1-NZ 2.85Å; E102-K105 PolarHBondContact OE1-NZ 2.63Å; E102-K105 WeakPolarHBondContact OE2-CE 3.29Å; E102-K105 IonicContact OE2-NZ 2.91Å; E102-K105 PolarHBondContact OE2-NZ 3.19Å; E102-K106 WeakPolarHBondContact O-CB 3.34Å; E102-K106 VanDerWaalsContact O-CG 3.31Å; E102-K106 WeakPolarHBondContact O-CG 3.38Å; E102-K106 PolarHBondContact O-N 2.85Å |
| 103 | G | 93.5 | Very high | 92.4 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -52.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P99 Q100 C101 K105 K106 Y107 | P99-G103 PolarHBondContact O-N 3.4Å; Q100-G103 PolarHBondContact O-N 2.97Å; Q100-G103 VanDerWaalsContact O-N 3.15Å; C101-G103 VanDerWaalsContact C-N 3.32Å; C101-G103 PolarHBondContact O-N 3.04Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 2.9Å; G103-K106 PolarHBondContact O-N 3.39Å; G103-Y107 VanDerWaalsContact O-CB 3.26Å; G103-Y107 WeakPolarHBondContact O-CB 3.38Å; G103-Y107 PolarHBondContact O-N 3.1Å |
| 104 | I | 93.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 177.5 | -65.2 | 167.2 | 0 | 0 | 0 | 110.1 | L85 L88 W93 L96 Q100 C101 K106 Y107 I108 I139 | L85-I104 HydrophobicContact CD1-CD1 4.3Å; L85-I104 HydrophobicContact CD1-CG2 4.05Å; L85-I104 HydrophobicContact CD2-CG2 4.22Å; L85-I104 HydrophobicContact CG-CG2 4.48Å; L88-I104 HydrophobicContact CD2-CD1 4.08Å; W93-I104 HydrophobicContact CH2-CB 4.19Å; W93-I104 HydrophobicContact CH2-CG2 4.17Å; W93-I104 HydrophobicContact CZ3-CB 4.14Å; W93-I104 HydrophobicContact CZ3-CD1 4.09Å; W93-I104 HydrophobicContact CZ3-CG2 3.91Å; L96-I104 HydrophobicContact CD1-CD1 3.89Å; Q100-I104 WeakPolarHBondContact O-CG1 3.48Å; Q100-I104 PolarHBondContact O-N 2.87Å; C101-I104 PolarHBondContact O-N 3.45Å; I104-K106 PolarHBondContact O-N 3.12Å; I104-Y107 PolarHBondContact O-N 3.16Å; I104-I108 HydrophobicContact CG2-CG1 4.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.33Å; I104-I139 HydrophobicContact CG2-CD1 4.26Å |
| 105 | K | 94.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.1 | -53.3 | 177.8 | -174 | 177.6 | 79.1 | -177.2 | 0 | 111.8 | C101 E102 G103 Y107 V109 I139 W148 | C101-K105 WeakPolarHBondContact O-CB 3.47Å; C101-K105 PolarHBondContact O-N 2.95Å; E102-K105 WeakPolarHBondContact OE1-CE 3.43Å; E102-K105 IonicContact OE1-NZ 2.85Å; E102-K105 PolarHBondContact OE1-NZ 2.63Å; E102-K105 WeakPolarHBondContact OE2-CE 3.29Å; E102-K105 IonicContact OE2-NZ 2.91Å; E102-K105 PolarHBondContact OE2-NZ 3.19Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 2.9Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 PolarHBondContact O-N 3.39Å; K105-V109 VanDerWaalsContact O-CG2 3.29Å; K105-V109 WeakPolarHBondContact O-CG2 3.41Å; K105-V109 PolarHBondContact O-N 3.31Å; K105-V109 VanDerWaalsContact O-N 3.09Å; K105-I139 HydrophobicContact CG-CG2 4.34Å; K105-W148 HydrophobicContact CD-CD2 3.98Å; K105-W148 HydrophobicContact CD-CE3 3.55Å; K105-W148 HydrophobicContact CD-CH2 3.85Å; K105-W148 HydrophobicContact CD-CZ2 4.27Å; K105-W148 HydrophobicContact CD-CZ3 3.48Å; K105-W148 VanDerWaalsContact CD-CZ3 3.48Å; K105-W148 HydrophobicContact CG-CE3 4.07Å; K105-W148 HydrophobicContact CG-CH2 3.54Å; K105-W148 HydrophobicContact CG-CZ2 4.28Å; K105-W148 HydrophobicContact CG-CZ3 3.43Å; K105-W148 VanDerWaalsContact CG-CZ3 3.43Å |
| 106 | K | 94.6 | Very high | 92.9 | Very high | 147 Ų | 147 | 50.9 Ų | 50.9 | 64% | 0.639 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 179.3 | -73.5 | 175.3 | -176.9 | 176.4 | 0 | 112.4 | E102 G103 I104 G110 | E102-K106 WeakPolarHBondContact O-CB 3.34Å; E102-K106 VanDerWaalsContact O-CG 3.31Å; E102-K106 WeakPolarHBondContact O-CG 3.38Å; E102-K106 PolarHBondContact O-N 2.85Å; G103-K106 PolarHBondContact O-N 3.39Å; I104-K106 PolarHBondContact O-N 3.12Å; K106-G110 PolarHBondContact O-N 3.18Å |
| 107 | Y | 93.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 179.7 | -174.5 | -105 | 0 | 0 | 0 | 111.7 | L69 G103 I104 K105 G110 L111 | L69-Y107 HydrophobicContact CD1-CE1 3.86Å; G103-Y107 VanDerWaalsContact O-CB 3.26Å; G103-Y107 WeakPolarHBondContact O-CB 3.38Å; G103-Y107 PolarHBondContact O-N 3.1Å; I104-Y107 PolarHBondContact O-N 3.16Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 PolarHBondContact O-N 3.39Å; Y107-G110 PolarHBondContact O-N 3.2Å; Y107-L111 HydrophobicContact CD1-CD1 3.89Å; Y107-L111 HydrophobicContact CE1-CD1 3.42Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.42Å; Y107-L111 HydrophobicContact CE1-CG 4.21Å; Y107-L111 WeakPolarHBondContact O-CG 3.35Å; Y107-L111 PolarHBondContact O-N 2.98Å |
| 108 | I | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.7 | -66 | -62.4 | 0 | 0 | 0 | 111.6 | L82 L85 I104 G110 L111 I112 L132 I135 L136 I139 | L82-I108 HydrophobicContact CD2-CD1 4.42Å; L85-I108 HydrophobicContact CD2-CD1 3.61Å; L85-I108 HydrophobicContact CD2-CG1 4.05Å; I104-I108 HydrophobicContact CG2-CG1 4.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.33Å; I108-G110 VanDerWaalsContact C-N 3.31Å; I108-G110 PolarHBondContact O-N 2.98Å; I108-L111 PolarHBondContact O-N 3.45Å; I108-I112 HydrophobicContact CG2-CD1 3.87Å; I108-I112 HydrophobicContact CG2-CG1 4.48Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.36Å; I108-L132 HydrophobicContact CD1-CD2 3.93Å; I108-I135 HydrophobicContact CD1-CG2 4.04Å; I108-I135 HydrophobicContact CG1-CG2 4.01Å; I108-I135 HydrophobicContact CG2-CG2 4.14Å; I108-L136 HydrophobicContact CG2-CB 4.29Å; I108-I139 HydrophobicContact CB-CD1 4.42Å; I108-I139 HydrophobicContact CG1-CD1 4.36Å |
| 109 | V | 95 | Very high | 92.4 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | K105 I112 I113 L136 W148 | K105-V109 VanDerWaalsContact O-CG2 3.29Å; K105-V109 WeakPolarHBondContact O-CG2 3.41Å; K105-V109 PolarHBondContact O-N 3.31Å; K105-V109 VanDerWaalsContact O-N 3.09Å; V109-I112 PolarHBondContact O-N 2.86Å; V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 2.98Å; V109-L136 HydrophobicContact CG2-CD1 4.12Å; V109-W148 HydrophobicContact CG2-CH2 3.66Å; V109-W148 HydrophobicContact CG2-CZ2 4.17Å |
| 110 | G | 94.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K106 Y107 I108 I113 Q114 | K106-G110 PolarHBondContact O-N 3.18Å; Y107-G110 PolarHBondContact O-N 3.2Å; I108-G110 VanDerWaalsContact C-N 3.31Å; I108-G110 PolarHBondContact O-N 2.98Å; G110-I113 PolarHBondContact O-N 3.28Å; G110-Q114 WeakPolarHBondContact O-CB 3.28Å; G110-Q114 PolarHBondContact O-N 3.25Å |
| 111 | L | 93 | Very high | 92 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176 | -72.9 | 176.8 | 0 | 0 | 0 | 112.2 | L69 Y107 I108 Q114 T115 L132 | L69-L111 HydrophobicContact CD1-CD1 4.16Å; Y107-L111 HydrophobicContact CD1-CD1 3.89Å; Y107-L111 HydrophobicContact CE1-CD1 3.42Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.42Å; Y107-L111 HydrophobicContact CE1-CG 4.21Å; Y107-L111 WeakPolarHBondContact O-CG 3.35Å; Y107-L111 PolarHBondContact O-N 2.98Å; I108-L111 PolarHBondContact O-N 3.45Å; L111-Q114 PolarHBondContact O-N 2.83Å; L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 2.85Å; L111-T115 PolarHBondContact O-OG1 2.87Å; L111-L132 HydrophobicContact CB-CD1 4.02Å; L111-L132 HydrophobicContact CB-CD2 4.29Å; L111-L132 HydrophobicContact CD1-CD2 4.2Å |
| 112 | I | 94.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.2 | -71.5 | 168.8 | 0 | 0 | 0 | 110.5 | I108 V109 T115 S116 L129 L132 L136 N168 I172 | I108-I112 HydrophobicContact CG2-CD1 3.87Å; I108-I112 HydrophobicContact CG2-CG1 4.48Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.36Å; V109-I112 PolarHBondContact O-N 2.86Å; I112-T115 PolarHBondContact O-N 3.35Å; I112-S116 VanDerWaalsContact O-CB 3.27Å; I112-S116 WeakPolarHBondContact O-CB 3.39Å; I112-S116 PolarHBondContact O-N 3.38Å; I112-S116 PolarHBondContact O-OG 3.5Å; I112-L129 HydrophobicContact CG2-CD1 4.35Å; I112-L132 HydrophobicContact CD1-CB 4.25Å; I112-L132 HydrophobicContact CG1-CB 3.71Å; I112-L132 HydrophobicContact CG1-CD1 4.34Å; I112-L136 HydrophobicContact CD1-CB 3.74Å; I112-L136 HydrophobicContact CD1-CD2 3.69Å; I112-L136 HydrophobicContact CD1-CG 4.29Å; I112-N168 VanDerWaalsContact CG2-ND2 3.35Å; I112-N168 WeakPolarHBondContact CG2-ND2 3.31Å; I112-I172 HydrophobicContact CG2-CD1 4.3Å |
| 113 | I | 93.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 55 Ų | 55 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 178.4 | -68.7 | 169.1 | 0 | 0 | 0 | 110.1 | V109 G110 T115 S116 S117 L165 | V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 2.98Å; G110-I113 PolarHBondContact O-N 3.28Å; I113-T115 VanDerWaalsContact C-N 3.32Å; I113-T115 PolarHBondContact O-N 3.01Å; I113-S116 PolarHBondContact O-N 3.22Å; I113-S117 VanDerWaalsContact O-CB 3.23Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 3.35Å; I113-S117 PolarHBondContact O-OG 3.07Å; I113-L165 HydrophobicContact CG1-CD1 4.39Å |
| 114 | Q | 91.5 | Very high | 91 | Very high | 135 Ų | 135 | 57.1 Ų | 57.1 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.4 | -44.3 | 179.7 | -179.7 | 178.2 | -19.6 | 0 | 0 | 112 | G110 L111 | G110-Q114 WeakPolarHBondContact O-CB 3.28Å; G110-Q114 PolarHBondContact O-N 3.25Å; L111-Q114 PolarHBondContact O-N 2.83Å |
| 115 | T | 91.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -77.9 | -28.9 | -175.4 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | L111 I112 I113 L121 E125 Y128 L129 | L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 2.85Å; L111-T115 PolarHBondContact O-OG1 2.87Å; I112-T115 PolarHBondContact O-N 3.35Å; I113-T115 VanDerWaalsContact C-N 3.32Å; I113-T115 PolarHBondContact O-N 3.01Å; T115-L121 WeakPolarHBondContact O-CB 3.43Å; T115-E125 HydrophobicContact CG2-CB 3.84Å; T115-E125 VanDerWaalsContact CG2-OE2 3.23Å; T115-E125 WeakPolarHBondContact CG2-OE2 3.26Å; T115-Y128 HydrophobicContact CG2-CD1 4.46Å; T115-L129 HydrophobicContact CG2-CB 4.13Å; T115-L129 HydrophobicContact CG2-CD1 4.35Å |
| 116 | S | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -97.7 | -7.6 | -178.5 | 63.4 | 0 | 0 | 0 | 0 | 114.9 | I112 I113 S118 S164 L165 | I112-S116 VanDerWaalsContact O-CB 3.27Å; I112-S116 WeakPolarHBondContact O-CB 3.39Å; I112-S116 PolarHBondContact O-N 3.38Å; I112-S116 PolarHBondContact O-OG 3.5Å; I113-S116 PolarHBondContact O-N 3.22Å; S116-S118 PolarHBondContact O-N 3.41Å; S116-S164 CarbonylContact O-C 3.54Å; S116-S164 VanDerWaalsContact O-CB 3.31Å; S116-S164 WeakPolarHBondContact O-CB 3.47Å; S116-S164 PolarHBondContact O-OG 3.48Å; S116-L165 VanDerWaalsContact OG-CD1 3.27Å; S116-L165 WeakPolarHBondContact OG-CD1 3.43Å |
| 117 | S | 87.8 | Confident | 90.3 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -71.1 | -13.6 | -177.4 | -72.4 | 0 | 0 | 0 | 0 | 114.6 | I113 N162 S164 | I113-S117 VanDerWaalsContact O-CB 3.23Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 3.35Å; I113-S117 PolarHBondContact O-OG 3.07Å; S117-N162 PolarHBondContact O-ND2 3.47Å; S117-N162 VanDerWaalsContact O-ND2 3.14Å; S117-S164 PolarHBondContact O-OG 3.16Å |
| 118 | S | 86.4 | Confident | 90.2 | Very high | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -128 | 144.1 | 176.5 | 76.6 | 0 | 0 | 0 | 0 | 111.3 | S116 E120 L121 L122 | S116-S118 PolarHBondContact O-N 3.41Å; S118-E120 PolarHBondContact O-N 3.35Å; S118-L121 PolarHBondContact O-N 2.69Å; S118-L121 WeakPolarHBondContact OG-CB 3.5Å; S118-L121 VanDerWaalsContact OG-CG 3.29Å; S118-L121 WeakPolarHBondContact OG-CG 3.41Å; S118-L121 PolarHBondContact OG-N 2.87Å; S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 PolarHBondContact O-N 3Å; S118-L122 VanDerWaalsContact O-N 3.15Å |
| 119 | S | 84.7 | Confident | 90.2 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.3 | -29 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 112.9 | E123 | S119-E123 PolarHBondContact O-N 2.93Å |
| 120 | E | 88.3 | Confident | 90.1 | Very high | 168 Ų | 168 | 57.6 Ų | 57.6 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.2 | -43.9 | -179.9 | -65.7 | 177.5 | -177.9 | 0 | 0 | 111.9 | S118 E123 S124 | S118-E120 PolarHBondContact O-N 3.35Å; E120-E123 PolarHBondContact O-N 2.71Å; E120-S124 WeakPolarHBondContact O-CB 3.41Å; E120-S124 PolarHBondContact O-N 3.05Å; E120-S124 PolarHBondContact O-OG 3.03Å |
| 121 | L | 87 | Confident | 90.2 | Very high | 59 Ų | 59 | 57 Ų | 57 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 176.8 | -68.8 | 175.5 | 0 | 0 | 0 | 111.8 | T115 S118 E123 S124 E125 | T115-L121 WeakPolarHBondContact O-CB 3.43Å; S118-L121 PolarHBondContact O-N 2.69Å; S118-L121 WeakPolarHBondContact OG-CB 3.5Å; S118-L121 VanDerWaalsContact OG-CG 3.29Å; S118-L121 WeakPolarHBondContact OG-CG 3.41Å; S118-L121 PolarHBondContact OG-N 2.87Å; L121-E123 PolarHBondContact O-N 3.18Å; L121-S124 WeakPolarHBondContact CA-OG 3.48Å; L121-S124 PolarHBondContact O-N 3.24Å; L121-E125 WeakPolarHBondContact O-CB 3.18Å; L121-E125 PolarHBondContact O-N 3.45Å |
| 122 | L | 86.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 178 | -167.8 | 147.6 | 0 | 0 | 0 | 112 | S118 L129 S164 Q167 | S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 PolarHBondContact O-N 3Å; S118-L122 VanDerWaalsContact O-N 3.15Å; L122-L129 HydrophobicContact CG-CD2 4.18Å; L122-S164 WeakPolarHBondContact CD1-O 3.07Å; L122-Q167 HydrophobicContact CD1-CB 4.45Å |
| 123 | E | 85.8 | Confident | 90.4 | Very high | 107 Ų | 107 | 55.7 Ų | 55.7 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -83.5 | -47.6 | 176.3 | -69.5 | -59.3 | 145 | 0 | 0 | 112.9 | S119 E120 L121 E125 | S119-E123 PolarHBondContact O-N 2.93Å; E120-E123 PolarHBondContact O-N 2.71Å; L121-E123 PolarHBondContact O-N 3.18Å; E123-E125 PolarHBondContact O-N 2.88Å |
| 124 | S | 87.2 | Confident | 90.5 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.2 | -30.8 | -176.2 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | E120 L121 | E120-S124 WeakPolarHBondContact O-CB 3.41Å; E120-S124 PolarHBondContact O-N 3.05Å; E120-S124 PolarHBondContact O-OG 3.03Å; L121-S124 WeakPolarHBondContact CA-OG 3.48Å; L121-S124 PolarHBondContact O-N 3.24Å |
| 125 | E | 88.1 | Confident | 90.7 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 18.4 | -180 | -59.5 | -161 | 164.8 | 0 | 0 | 113.4 | T115 L121 E123 T127 Y128 L129 | T115-E125 HydrophobicContact CG2-CB 3.84Å; T115-E125 VanDerWaalsContact CG2-OE2 3.23Å; T115-E125 WeakPolarHBondContact CG2-OE2 3.26Å; L121-E125 WeakPolarHBondContact O-CB 3.18Å; L121-E125 PolarHBondContact O-N 3.45Å; E123-E125 PolarHBondContact O-N 2.88Å; E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 3.47Å; E125-Y128 WeakPolarHBondContact O-CA 3.02Å; E125-Y128 WeakPolarHBondContact O-CB 3.48Å; E125-Y128 PolarHBondContact O-N 2.94Å; E125-L129 PolarHBondContact O-N 3.3Å |
| 126 | K | 90.1 | Very high | 91 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -47.3 | -43.3 | -174.5 | -173.6 | 175.5 | -177.2 | 172.1 | 0 | 114.4 | G130 | K126-G130 PolarHBondContact O-N 3.04Å |
| 127 | T | 89.9 | Confident | 91.2 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | Y79 E125 K131 | Y79-T127 HydrophobicContact CD2-CG2 4.38Å; Y79-T127 HydrophobicContact CE2-CG2 4.26Å; E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 3.47Å; T127-K131 PolarHBondContact O-N 2.85Å |
| 128 | Y | 91.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | 177.9 | 175.3 | -116.6 | 0 | 0 | 0 | 111.2 | L69 K78 L82 T115 E125 G130 K131 L132 | L69-Y128 HydrophobicContact CD2-CE2 4.11Å; K78-Y128 HydrophobicContact CB-CD2 4.12Å; K78-Y128 HydrophobicContact CB-CE2 3.81Å; K78-Y128 HydrophobicContact CD-CE2 4.31Å; L82-Y128 HydrophobicContact CD1-CD2 3.72Å; L82-Y128 HydrophobicContact CD1-CE2 3.47Å; L82-Y128 VanDerWaalsContact CD1-CE2 3.47Å; L82-Y128 HydrophobicContact CG-CE2 4.06Å; T115-Y128 HydrophobicContact CG2-CD1 4.46Å; E125-Y128 WeakPolarHBondContact O-CA 3.02Å; E125-Y128 WeakPolarHBondContact O-CB 3.48Å; E125-Y128 PolarHBondContact O-N 2.94Å; Y128-G130 VanDerWaalsContact C-N 3.35Å; Y128-G130 PolarHBondContact O-N 2.63Å; Y128-K131 PolarHBondContact O-N 2.83Å; Y128-K131 VanDerWaalsContact O-N 3.12Å; Y128-L132 HydrophobicContact CD1-CD1 4.03Å; Y128-L132 HydrophobicContact CE1-CD1 3.56Å; Y128-L132 HydrophobicContact CE1-CG 4.32Å; Y128-L132 HydrophobicContact CE2-CD1 4.42Å; Y128-L132 HydrophobicContact CE2-CG 4.32Å; Y128-L132 PolarHBondContact O-N 3.39Å |
| 129 | L | 93.6 | Very high | 92 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 175.6 | -179.1 | 57.5 | 0 | 0 | 0 | 111.9 | I112 T115 L122 E125 K131 L132 N133 N168 | I112-L129 HydrophobicContact CG2-CD1 4.35Å; T115-L129 HydrophobicContact CG2-CB 4.13Å; T115-L129 HydrophobicContact CG2-CD1 4.35Å; L122-L129 HydrophobicContact CG-CD2 4.18Å; E125-L129 PolarHBondContact O-N 3.3Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.27Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 2.79Å; L129-N133 VanDerWaalsContact O-CG 3.24Å; L129-N133 PolarHBondContact O-N 2.83Å; L129-N133 PolarHBondContact O-ND2 3.38Å; L129-N168 WeakPolarHBondContact CD2-OD1 3.48Å; L129-N168 WeakPolarHBondContact CG-OD1 3.48Å |
| 130 | G | 94.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.7 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K126 Y128 N133 M134 | K126-G130 PolarHBondContact O-N 3.04Å; Y128-G130 VanDerWaalsContact C-N 3.35Å; Y128-G130 PolarHBondContact O-N 2.63Å; G130-N133 PolarHBondContact O-N 3.35Å; G130-M134 WeakPolarHBondContact O-CG 3.35Å; G130-M134 PolarHBondContact O-N 3.42Å; G130-M134 VanDerWaalsContact O-N 3.11Å |
| 131 | K | 95 | Very high | 92.7 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.6 | -39.2 | 176.3 | -170 | 58.6 | 174.3 | 179.8 | 0 | 112.9 | Y79 L82 E86 T127 Y128 L129 N133 M134 I135 | Y79-K131 HydrophobicContact CD2-CB 3.9Å; Y79-K131 HydrophobicContact CD2-CG 3.99Å; Y79-K131 HydrophobicContact CE1-CD 4.46Å; Y79-K131 HydrophobicContact CE2-CB 3.59Å; Y79-K131 HydrophobicContact CE2-CD 3.92Å; Y79-K131 HydrophobicContact CE2-CG 3.71Å; L82-K131 HydrophobicContact CB-CG 3.8Å; L82-K131 HydrophobicContact CD1-CB 3.86Å; L82-K131 HydrophobicContact CD1-CG 3.68Å; L82-K131 HydrophobicContact CG-CG 4.42Å; E86-K131 IonicContact OE1-NZ 3.61Å; E86-K131 WeakPolarHBondContact OE2-CE 3.5Å; E86-K131 IonicContact OE2-NZ 2.63Å; E86-K131 PolarHBondContact OE2-NZ 3.1Å; T127-K131 PolarHBondContact O-N 2.85Å; Y128-K131 PolarHBondContact O-N 2.83Å; Y128-K131 VanDerWaalsContact O-N 3.12Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.27Å; K131-N133 VanDerWaalsContact C-N 3.33Å; K131-M134 PolarHBondContact O-N 2.9Å; K131-I135 HydrophobicContact CG-CD1 4.49Å; K131-I135 WeakPolarHBondContact O-CG1 3.32Å; K131-I135 PolarHBondContact O-N 3.14Å |
| 132 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 172.6 | -73.8 | 173 | 0 | 0 | 0 | 111.5 | L82 I108 L111 I112 Y128 L129 M134 I135 L136 | L82-L132 HydrophobicContact CD1-CD2 3.78Å; L82-L132 HydrophobicContact CD1-CG 3.89Å; L82-L132 HydrophobicContact CD2-CD2 3.72Å; L82-L132 HydrophobicContact CG-CD2 4.42Å; I108-L132 HydrophobicContact CD1-CD2 3.93Å; L111-L132 HydrophobicContact CB-CD1 4.02Å; L111-L132 HydrophobicContact CB-CD2 4.29Å; L111-L132 HydrophobicContact CD1-CD2 4.2Å; I112-L132 HydrophobicContact CD1-CB 4.25Å; I112-L132 HydrophobicContact CG1-CB 3.71Å; I112-L132 HydrophobicContact CG1-CD1 4.34Å; Y128-L132 HydrophobicContact CD1-CD1 4.03Å; Y128-L132 HydrophobicContact CE1-CD1 3.56Å; Y128-L132 HydrophobicContact CE1-CG 4.32Å; Y128-L132 HydrophobicContact CE2-CD1 4.42Å; Y128-L132 HydrophobicContact CE2-CG 4.32Å; Y128-L132 PolarHBondContact O-N 3.39Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 2.79Å; L132-M134 PolarHBondContact O-N 3.19Å; L132-I135 WeakPolarHBondContact O-CB 3.35Å; L132-I135 PolarHBondContact O-N 3.45Å; L132-L136 PolarHBondContact O-N 2.68Å |
| 133 | N | 96.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.5 | -68 | -20 | 0 | 0 | 0 | 111.4 | L129 G130 K131 I135 L136 V137 N168 I172 L175 | L129-N133 VanDerWaalsContact O-CG 3.24Å; L129-N133 PolarHBondContact O-N 2.83Å; L129-N133 PolarHBondContact O-ND2 3.38Å; G130-N133 PolarHBondContact O-N 3.35Å; K131-N133 VanDerWaalsContact C-N 3.33Å; N133-I135 VanDerWaalsContact C-N 3.33Å; N133-I135 PolarHBondContact O-N 2.89Å; N133-L136 PolarHBondContact O-N 3.46Å; N133-V137 WeakPolarHBondContact O-CG2 3.43Å; N133-V137 PolarHBondContact O-N 3.19Å; N133-N168 PolarHBondContact ND2-OD1 2.67Å; N133-N168 PolarHBondContact OD1-ND2 3.4Å; N133-N168 PolarHBondContact OD1-OD1 3.38Å; N133-I172 HydrophobicContact CB-CG1 3.97Å; N133-I172 WeakPolarHBondContact OD1-CG1 3.37Å; N133-L175 HydrophobicContact CB-CD1 3.86Å |
| 134 | M | 95.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 25.4 Ų | 25.4 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 174.2 | -72.6 | -58.4 | -59.6 | 0 | 0 | 111.9 | G130 K131 L132 L136 V137 E138 L175 | G130-M134 WeakPolarHBondContact O-CG 3.35Å; G130-M134 PolarHBondContact O-N 3.42Å; G130-M134 VanDerWaalsContact O-N 3.11Å; K131-M134 PolarHBondContact O-N 2.9Å; L132-M134 PolarHBondContact O-N 3.19Å; M134-L136 VanDerWaalsContact C-N 3.33Å; M134-L136 PolarHBondContact O-N 3.33Å; M134-V137 PolarHBondContact O-N 3.19Å; M134-V137 VanDerWaalsContact O-N 3.13Å; M134-E138 WeakPolarHBondContact O-CG 3.49Å; M134-E138 PolarHBondContact O-N 2.86Å; M134-L175 HydrophobicContact CG-CD1 4.37Å; M134-L175 HydrophobicContact SD-CB 4.38Å; M134-L175 HydrophobicContact SD-CD1 3.76Å; M134-L175 HydrophobicContact SD-CD2 3.66Å; M134-L175 HydrophobicContact SD-CG 4.13Å |
| 135 | I | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 177.1 | -74.3 | 170.3 | 0 | 0 | 0 | 111.5 | L82 L85 E86 I89 I108 K131 L132 N133 V137 E138 I139 | L82-I135 HydrophobicContact CB-CD1 3.49Å; L82-I135 VanDerWaalsContact CB-CD1 3.49Å; L82-I135 HydrophobicContact CD1-CD1 4.12Å; L82-I135 HydrophobicContact CD2-CD1 3.56Å; L82-I135 HydrophobicContact CG-CD1 3.87Å; L82-I135 WeakPolarHBondContact O-CD1 3.48Å; L85-I135 HydrophobicContact CD2-CG2 4.29Å; E86-I135 HydrophobicContact CB-CG1 4.23Å; I89-I135 HydrophobicContact CD1-CG2 3.58Å; I108-I135 HydrophobicContact CD1-CG2 4.04Å; I108-I135 HydrophobicContact CG1-CG2 4.01Å; I108-I135 HydrophobicContact CG2-CG2 4.14Å; K131-I135 HydrophobicContact CG-CD1 4.49Å; K131-I135 WeakPolarHBondContact O-CG1 3.32Å; K131-I135 PolarHBondContact O-N 3.14Å; L132-I135 WeakPolarHBondContact O-CB 3.35Å; L132-I135 PolarHBondContact O-N 3.45Å; N133-I135 VanDerWaalsContact C-N 3.33Å; N133-I135 PolarHBondContact O-N 2.89Å; I135-V137 VanDerWaalsContact C-N 3.31Å; I135-V137 PolarHBondContact O-N 2.88Å; I135-E138 PolarHBondContact O-N 3.34Å; I135-I139 HydrophobicContact CG2-CD1 4.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.21Å |
| 136 | L | 97.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 174.1 | 177.4 | 62.2 | 0 | 0 | 0 | 110.9 | I108 V109 I112 L132 N133 M134 E138 I139 L140 W148 F151 I172 | I108-L136 HydrophobicContact CG2-CB 4.29Å; V109-L136 HydrophobicContact CG2-CD1 4.12Å; I112-L136 HydrophobicContact CD1-CB 3.74Å; I112-L136 HydrophobicContact CD1-CD2 3.69Å; I112-L136 HydrophobicContact CD1-CG 4.29Å; L132-L136 PolarHBondContact O-N 2.68Å; N133-L136 PolarHBondContact O-N 3.46Å; M134-L136 VanDerWaalsContact C-N 3.33Å; M134-L136 PolarHBondContact O-N 3.33Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.78Å; L136-I139 WeakPolarHBondContact O-CB 3.36Å; L136-I139 PolarHBondContact O-N 3.44Å; L136-I139 VanDerWaalsContact O-N 3.13Å; L136-L140 HydrophobicContact CG-CD1 4.28Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 2.97Å; L136-W148 HydrophobicContact CD1-CH2 3.81Å; L136-W148 HydrophobicContact CD1-CZ3 3.86Å; L136-F151 HydrophobicContact CD2-CE2 4.47Å; L136-I172 HydrophobicContact CD2-CD1 3.85Å; L136-I172 HydrophobicContact CD2-CG1 4.41Å; L136-I172 HydrophobicContact CD2-CG2 4.14Å |
| 137 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 112 | N133 M134 I135 I139 L140 K141 I172 L175 L176 E179 | N133-V137 WeakPolarHBondContact O-CG2 3.43Å; N133-V137 PolarHBondContact O-N 3.19Å; M134-V137 PolarHBondContact O-N 3.19Å; M134-V137 VanDerWaalsContact O-N 3.13Å; I135-V137 VanDerWaalsContact C-N 3.31Å; I135-V137 PolarHBondContact O-N 2.88Å; V137-I139 VanDerWaalsContact C-N 3.34Å; V137-I139 PolarHBondContact O-N 2.95Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 PolarHBondContact O-N 3.47Å; V137-K141 HydrophobicContact CG1-CD 4.49Å; V137-K141 WeakPolarHBondContact O-CG 3.29Å; V137-K141 PolarHBondContact O-N 2.62Å; V137-I172 HydrophobicContact CG2-CG2 4.42Å; V137-L175 HydrophobicContact CG2-CB 3.87Å; V137-L176 HydrophobicContact CG1-CD1 4.24Å; V137-L176 HydrophobicContact CG2-CB 4.43Å; V137-E179 HydrophobicContact CG1-CB 4Å; V137-E179 HydrophobicContact CG1-CG 3.7Å |
| 138 | E | 94.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 172.1 | -63.3 | -59.6 | 168.9 | 0 | 0 | 112.2 | E86 I89 K90 M134 I135 L136 L140 K141 H142 | E86-E138 HydrophobicContact CG-CG 4.41Å; I89-E138 HydrophobicContact CG2-CB 3.79Å; K90-E138 WeakPolarHBondContact CE-OE1 3.46Å; K90-E138 WeakPolarHBondContact CE-OE2 3.33Å; K90-E138 IonicContact NZ-OE1 2.6Å; K90-E138 PolarHBondContact NZ-OE1 2.86Å; M134-E138 WeakPolarHBondContact O-CG 3.49Å; M134-E138 PolarHBondContact O-N 2.86Å; I135-E138 PolarHBondContact O-N 3.34Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.78Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-K141 PolarHBondContact O-N 3.09Å; E138-K141 IonicContact OE1-NZ 2.79Å; E138-K141 PolarHBondContact OE1-NZ 2.94Å; E138-K141 WeakPolarHBondContact OE2-CE 3.46Å; E138-K141 IonicContact OE2-NZ 3.66Å; E138-K141 PolarHBondContact OE2-NZ 3.49Å; E138-H142 PolarHBondContact O-CD2 3.43Å |
| 139 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -43 | 172.5 | -64.8 | 169.2 | 0 | 0 | 0 | 110.4 | I89 W93 I104 K105 I108 I135 L136 V137 K141 H142 E143 W148 | I89-I139 HydrophobicContact CD1-CD1 4.14Å; I89-I139 HydrophobicContact CD1-CG1 3.77Å; I89-I139 HydrophobicContact CG1-CG1 4.27Å; I89-I139 HydrophobicContact CG2-CG1 4.23Å; W93-I139 HydrophobicContact CH2-CD1 4.21Å; W93-I139 HydrophobicContact CH2-CG1 3.94Å; W93-I139 HydrophobicContact CH2-CG2 4.08Å; W93-I139 HydrophobicContact CZ2-CG1 4.4Å; W93-I139 HydrophobicContact CZ2-CG2 3.84Å; W93-I139 HydrophobicContact CZ3-CG1 4.21Å; I104-I139 HydrophobicContact CG2-CD1 4.26Å; K105-I139 HydrophobicContact CG-CG2 4.34Å; I108-I139 HydrophobicContact CB-CD1 4.42Å; I108-I139 HydrophobicContact CG1-CD1 4.36Å; I135-I139 HydrophobicContact CG2-CD1 4.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.21Å; L136-I139 WeakPolarHBondContact O-CB 3.36Å; L136-I139 PolarHBondContact O-N 3.44Å; L136-I139 VanDerWaalsContact O-N 3.13Å; V137-I139 VanDerWaalsContact C-N 3.34Å; V137-I139 PolarHBondContact O-N 2.95Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.44Å; I139-H142 PolarHBondContact O-N 3.27Å; I139-E143 HydrophobicContact CG2-CB 4.43Å; I139-E143 HydrophobicContact CG2-CG 3.94Å; I139-E143 PolarHBondContact O-N 2.93Å; I139-W148 HydrophobicContact CG2-CZ3 4.19Å |
| 140 | L | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 179 | -68.7 | 170 | 0 | 0 | 0 | 112 | L136 V137 E138 H142 E143 W144 W148 F151 L176 | L136-L140 HydrophobicContact CG-CD1 4.28Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 2.97Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 PolarHBondContact O-N 3.47Å; E138-L140 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 3.36Å; L140-H142 VanDerWaalsContact O-N 3.1Å; L140-E143 PolarHBondContact O-N 2.92Å; L140-W144 HydrophobicContact CB-CB 4.32Å; L140-W144 HydrophobicContact CD2-CB 3.91Å; L140-W144 WeakPolarHBondContact O-CB 3.48Å; L140-W144 PolarHBondContact O-N 3.42Å; L140-W148 HydrophobicContact CD2-CD2 4.44Å; L140-W148 HydrophobicContact CD2-CE3 3.78Å; L140-W148 HydrophobicContact CD2-CZ3 4Å; L140-F151 HydrophobicContact CD1-CD1 4.19Å; L140-F151 HydrophobicContact CD1-CE1 3.47Å; L140-F151 VanDerWaalsContact CD1-CE1 3.47Å; L140-F151 HydrophobicContact CD1-CE2 3.97Å; L140-F151 HydrophobicContact CD1-CZ 3.35Å; L140-F151 HydrophobicContact CD2-CB 4.34Å; L140-F151 HydrophobicContact CD2-CD1 3.63Å; L140-F151 HydrophobicContact CD2-CD2 3.65Å; L140-F151 HydrophobicContact CD2-CE1 3.78Å; L140-F151 HydrophobicContact CD2-CE2 3.79Å; L140-F151 HydrophobicContact CD2-CG 3.57Å; L140-F151 HydrophobicContact CD2-CZ 3.87Å; L140-F151 HydrophobicContact CG-CE1 4.29Å; L140-F151 HydrophobicContact CG-CE2 4.44Å; L140-F151 HydrophobicContact CG-CZ 4.22Å; L140-L176 HydrophobicContact CB-CD1 4.22Å; L140-L176 HydrophobicContact CD1-CD1 4.33Å; L140-L176 HydrophobicContact CD1-CD2 4.33Å |
| 141 | K | 91.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -19.1 | 174.2 | -73.6 | 163.5 | 61.5 | -177.6 | 0 | 113.5 | V137 E138 I139 E179 M188 K192 | V137-K141 HydrophobicContact CG1-CD 4.49Å; V137-K141 WeakPolarHBondContact O-CG 3.29Å; V137-K141 PolarHBondContact O-N 2.62Å; E138-K141 PolarHBondContact O-N 3.09Å; E138-K141 IonicContact OE1-NZ 2.79Å; E138-K141 PolarHBondContact OE1-NZ 2.94Å; E138-K141 WeakPolarHBondContact OE2-CE 3.46Å; E138-K141 IonicContact OE2-NZ 3.66Å; E138-K141 PolarHBondContact OE2-NZ 3.49Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.44Å; K141-E179 HydrophobicContact CD-CB 4.24Å; K141-E179 HydrophobicContact CD-CG 4.5Å; K141-E179 IonicContact NZ-OE2 3.87Å; K141-E179 PolarHBondContact NZ-OE2 3.33Å; K141-M188 HydrophobicContact CD-CE 4.4Å; K141-M188 HydrophobicContact CG-CE 4.43Å; K141-K192 WeakPolarHBondContact O-CE 3.17Å; K141-K192 PolarHBondContact O-NZ 2.92Å |
| 142 | H | 89.9 | Confident | 93.7 | Very high | 26 Ų | 26 | 24 Ų | 24 | 12% | 0.12 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -103.9 | -35.6 | 175.3 | -67.5 | -72.4 | 0 | 0 | 0 | 113.8 | I89 W93 E138 I139 L140 E1030 | I89-H142 PolarHBondContact O-NE2 3.11Å; W93-H142 AromaticContact CD1-CG 3.73Å; W93-H142 HydrophobicContact CG-CB 4.14Å; E138-H142 PolarHBondContact O-CD2 3.43Å; I139-H142 PolarHBondContact O-N 3.27Å; L140-H142 PolarHBondContact O-N 3.36Å; L140-H142 VanDerWaalsContact O-N 3.1Å; H142-E1030 IonicContact CE1-OE2 2.83Å |
| 143 | E | 92 | Very high | 93.6 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.3 | -30.7 | -170.5 | -65.5 | -67 | 128.3 | 0 | 0 | 113.8 | W93 R98 I139 L140 N146 N147 W148 | W93-E143 HydrophobicContact CZ2-CG 3.94Å; W93-E143 PolarHBondContact NE1-OE1 3.15Å; R98-E143 IonicContact NH1-OE1 2.83Å; R98-E143 PolarHBondContact NH1-OE1 2.91Å; R98-E143 IonicContact NH1-OE2 2.65Å; I139-E143 HydrophobicContact CG2-CB 4.43Å; I139-E143 HydrophobicContact CG2-CG 3.94Å; I139-E143 PolarHBondContact O-N 2.93Å; L140-E143 PolarHBondContact O-N 2.92Å; E143-N146 PolarHBondContact O-N 3.47Å; E143-N147 HydrophobicContact CB-CB 4.41Å; E143-N147 CarbonylContact O-C 3.38Å; E143-N147 WeakPolarHBondContact O-CA 3.5Å; E143-N147 PolarHBondContact O-N 3.45Å; E143-N147 WeakPolarHBondContact OE2-CB 3.3Å; E143-W148 HydrophobicContact CB-CB 4.34Å; E143-W148 HydrophobicContact CB-CE3 4.44Å; E143-W148 PolarHBondContact O-N 3.03Å; E143-W148 VanDerWaalsContact O-N 3.07Å |
| 144 | W | 92 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 135.6 | 179.1 | 175.3 | 84.2 | 0 | 0 | 0 | 109.9 | L140 I152 L196 M200 Q203 | L140-W144 HydrophobicContact CB-CB 4.32Å; L140-W144 HydrophobicContact CD2-CB 3.91Å; L140-W144 WeakPolarHBondContact O-CB 3.48Å; L140-W144 PolarHBondContact O-N 3.42Å; W144-I152 HydrophobicContact CZ2-CG1 4.47Å; W144-L196 HydrophobicContact CE3-CD2 3.56Å; W144-L196 WeakPolarHBondContact CH2-O 3.49Å; W144-L196 HydrophobicContact CZ3-CB 4.33Å; W144-L196 HydrophobicContact CZ3-CD2 3.66Å; W144-L196 VanDerWaalsContact O-CD2 3.24Å; W144-L196 WeakPolarHBondContact O-CD2 3.4Å; W144-M200 HydrophobicContact CH2-CB 3.74Å; W144-M200 HydrophobicContact CH2-CG 4.14Å; W144-M200 HydrophobicContact CZ2-CB 4.5Å; W144-Q203 VanDerWaalsContact NE1-OE1 3.15Å |
| 145 | P | 89.1 | Confident | 93.5 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 16% | 0.156 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.7 | -15.1 | 5.3 | 37.4 | -41.6 | 0 | 0 | 0 | 115.6 | S149 S199 | P145-S149 VanDerWaalsContact O-CA 3.24Å; P145-S149 WeakPolarHBondContact O-CA 3.44Å; P145-S149 WeakPolarHBondContact O-CB 3.47Å; P145-S149 PolarHBondContact O-N 2.9Å; P145-S149 VanDerWaalsContact O-N 3.12Å; P145-S199 WeakPolarHBondContact CG-OG 3.42Å |
| 146 | N | 87.2 | Confident | 93.4 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 55% | 0.551 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -48.5 | -162.1 | -66.2 | -23.9 | 0 | 0 | 0 | 114.5 | E143 | E143-N146 PolarHBondContact O-N 3.47Š|
| 147 | N | 89.4 | Confident | 93.2 | Very high | 81 Ų | 81 | 31.6 Ų | 31.6 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.3 | -178.3 | -65 | -43.2 | 0 | 0 | 0 | 113 | R98 E143 | R98-N147 PolarHBondContact NH2-ND2 3.43Å; R98-N147 VanDerWaalsContact NH2-ND2 3.1Å; E143-N147 HydrophobicContact CB-CB 4.41Å; E143-N147 CarbonylContact O-C 3.38Å; E143-N147 WeakPolarHBondContact O-CA 3.5Å; E143-N147 PolarHBondContact O-N 3.45Å; E143-N147 WeakPolarHBondContact OE2-CB 3.3Å |
| 148 | W | 93.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | trans | -142.1 | 50 | 179.7 | -154.7 | -9.9 | 0 | 0 | 0 | 112.7 | K105 V109 L136 I139 L140 E143 T150 F151 | K105-W148 HydrophobicContact CD-CD2 3.98Å; K105-W148 HydrophobicContact CD-CE3 3.55Å; K105-W148 HydrophobicContact CD-CH2 3.85Å; K105-W148 HydrophobicContact CD-CZ2 4.27Å; K105-W148 HydrophobicContact CD-CZ3 3.48Å; K105-W148 VanDerWaalsContact CD-CZ3 3.48Å; K105-W148 HydrophobicContact CG-CE3 4.07Å; K105-W148 HydrophobicContact CG-CH2 3.54Å; K105-W148 HydrophobicContact CG-CZ2 4.28Å; K105-W148 HydrophobicContact CG-CZ3 3.43Å; K105-W148 VanDerWaalsContact CG-CZ3 3.43Å; V109-W148 HydrophobicContact CG2-CH2 3.66Å; V109-W148 HydrophobicContact CG2-CZ2 4.17Å; L136-W148 HydrophobicContact CD1-CH2 3.81Å; L136-W148 HydrophobicContact CD1-CZ3 3.86Å; I139-W148 HydrophobicContact CG2-CZ3 4.19Å; L140-W148 HydrophobicContact CD2-CD2 4.44Å; L140-W148 HydrophobicContact CD2-CE3 3.78Å; L140-W148 HydrophobicContact CD2-CZ3 4Å; E143-W148 HydrophobicContact CB-CB 4.34Å; E143-W148 HydrophobicContact CB-CE3 4.44Å; E143-W148 PolarHBondContact O-N 3.03Å; E143-W148 VanDerWaalsContact O-N 3.07Å; W148-T150 PolarHBondContact O-N 3.19Å; W148-T150 VanDerWaalsContact O-N 3.14Å; W148-F151 HydrophobicContact CD2-CB 4.13Å; W148-F151 HydrophobicContact CD2-CD2 4.25Å; W148-F151 AromaticContact CE2-CD2 3.94Å; W148-F151 HydrophobicContact CG-CB 3.88Å; W148-F151 HydrophobicContact CH2-CD2 4.33Å; W148-F151 HydrophobicContact CZ2-CD2 4.01Å; W148-F151 VanDerWaalsContact O-CB 3.31Å; W148-F151 WeakPolarHBondContact O-CB 3.43Å; W148-F151 PolarHBondContact O-N 3.09Å; W148-F151 VanDerWaalsContact O-N 3.07Å | ||
| 149 | S | 92.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.9 | -176.1 | 59 | 0 | 0 | 0 | 0 | 114.5 | P145 Q203 | P145-S149 VanDerWaalsContact O-CA 3.24Å; P145-S149 WeakPolarHBondContact O-CA 3.44Å; P145-S149 WeakPolarHBondContact O-CB 3.47Å; P145-S149 PolarHBondContact O-N 2.9Å; P145-S149 VanDerWaalsContact O-N 3.12Å; S149-Q203 PolarHBondContact O-NE2 2.9Å |
| 150 | T | 94.7 | Very high | 92.9 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 44% | 0.436 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.7 | 178.8 | 63 | 0 | 0 | 0 | 0 | 114.1 | W148 I152 S153 D154 | W148-T150 PolarHBondContact O-N 3.19Å; W148-T150 VanDerWaalsContact O-N 3.14Å; T150-I152 PolarHBondContact O-N 3.44Å; T150-S153 WeakPolarHBondContact O-CA 3.43Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 2.92Å; T150-D154 VanDerWaalsContact CB-OD2 3.32Å; T150-D154 WeakPolarHBondContact CB-OD2 3.4Å; T150-D154 PolarHBondContact O-N 3.13Å; T150-D154 PolarHBondContact OG1-OD2 3.46Å |
| 151 | F | 95.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -50.1 | -49.8 | -171 | 172.4 | -106 | 0 | 0 | 0 | 113.6 | L136 L140 W148 S153 D154 I155 I172 L176 | L136-F151 HydrophobicContact CD2-CE2 4.47Å; L140-F151 HydrophobicContact CD1-CD1 4.19Å; L140-F151 HydrophobicContact CD1-CE1 3.47Å; L140-F151 VanDerWaalsContact CD1-CE1 3.47Å; L140-F151 HydrophobicContact CD1-CE2 3.97Å; L140-F151 HydrophobicContact CD1-CZ 3.35Å; L140-F151 HydrophobicContact CD2-CB 4.34Å; L140-F151 HydrophobicContact CD2-CD1 3.63Å; L140-F151 HydrophobicContact CD2-CD2 3.65Å; L140-F151 HydrophobicContact CD2-CE1 3.78Å; L140-F151 HydrophobicContact CD2-CE2 3.79Å; L140-F151 HydrophobicContact CD2-CG 3.57Å; L140-F151 HydrophobicContact CD2-CZ 3.87Å; L140-F151 HydrophobicContact CG-CE1 4.29Å; L140-F151 HydrophobicContact CG-CE2 4.44Å; L140-F151 HydrophobicContact CG-CZ 4.22Å; W148-F151 HydrophobicContact CD2-CB 4.13Å; W148-F151 HydrophobicContact CD2-CD2 4.25Å; W148-F151 AromaticContact CE2-CD2 3.94Å; W148-F151 HydrophobicContact CG-CB 3.88Å; W148-F151 HydrophobicContact CH2-CD2 4.33Å; W148-F151 HydrophobicContact CZ2-CD2 4.01Å; W148-F151 VanDerWaalsContact O-CB 3.31Å; W148-F151 WeakPolarHBondContact O-CB 3.43Å; W148-F151 PolarHBondContact O-N 3.09Å; W148-F151 VanDerWaalsContact O-N 3.07Å; F151-S153 PolarHBondContact O-N 2.6Å; F151-D154 PolarHBondContact O-N 2.79Å; F151-I155 HydrophobicContact CE2-CD1 4.35Å; F151-I155 HydrophobicContact CZ-CD1 3.84Å; F151-I155 PolarHBondContact O-N 2.96Å; F151-I172 HydrophobicContact CZ-CG2 4.12Å; F151-L176 HydrophobicContact CE1-CD2 4.3Å |
| 152 | I | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 179.8 | -62.9 | -58.4 | 0 | 0 | 0 | 111.7 | W144 T150 I155 V156 L173 Q203 L206 I207 | W144-I152 HydrophobicContact CZ2-CG1 4.47Å; T150-I152 PolarHBondContact O-N 3.44Å; I152-I155 WeakPolarHBondContact O-CG2 3.4Å; I152-V156 HydrophobicContact CG2-CG2 4.39Å; I152-V156 VanDerWaalsContact O-CB 3.3Å; I152-V156 WeakPolarHBondContact O-CB 3.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.42Å; I152-V156 PolarHBondContact O-N 2.86Å; I152-V156 VanDerWaalsContact O-N 3.09Å; I152-L173 HydrophobicContact CD1-CD2 3.97Å; I152-Q203 HydrophobicContact CB-CB 4.41Å; I152-Q203 HydrophobicContact CG1-CB 4.32Å; I152-Q203 HydrophobicContact CG2-CB 4.21Å; I152-L206 HydrophobicContact CG2-CB 4.27Å; I152-L206 HydrophobicContact CG2-CD1 4.41Å; I152-I207 HydrophobicContact CD1-CD1 4.05Å; I152-I207 HydrophobicContact CG2-CD1 4.22Å; I152-I207 HydrophobicContact CG2-CG1 3.81Å |
| 153 | S | 94.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 50 Ų | 50 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | T150 F151 G157 | T150-S153 WeakPolarHBondContact O-CA 3.43Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 2.92Å; F151-S153 PolarHBondContact O-N 2.6Å; S153-G157 PolarHBondContact O-N 3.13Å |
| 154 | D | 95.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | -178.4 | -63.6 | -26 | 0 | 0 | 0 | 111.1 | T150 F151 G157 A158 | T150-D154 VanDerWaalsContact CB-OD2 3.32Å; T150-D154 WeakPolarHBondContact CB-OD2 3.4Å; T150-D154 PolarHBondContact O-N 3.13Å; T150-D154 PolarHBondContact OG1-OD2 3.46Å; F151-D154 PolarHBondContact O-N 2.79Å; D154-G157 PolarHBondContact O-N 3.44Å; D154-A158 VanDerWaalsContact O-CB 3.29Å; D154-A158 WeakPolarHBondContact O-CB 3.46Å; D154-A158 PolarHBondContact O-N 2.97Å |
| 155 | I | 94.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -38.3 | 178.9 | -156.7 | 174.3 | 0 | 0 | 0 | 111.5 | F151 I152 S159 N169 I172 L173 | F151-I155 HydrophobicContact CE2-CD1 4.35Å; F151-I155 HydrophobicContact CZ-CD1 3.84Å; F151-I155 PolarHBondContact O-N 2.96Å; I152-I155 WeakPolarHBondContact O-CG2 3.4Å; I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.46Å; I155-S159 PolarHBondContact O-N 3.47Å; I155-S159 PolarHBondContact O-OG 2.95Å; I155-N169 HydrophobicContact CD1-CB 3.75Å; I155-N169 HydrophobicContact CG1-CB 3.63Å; I155-N169 WeakPolarHBondContact CG1-ND2 3.41Å; I155-N169 WeakPolarHBondContact CG1-OD1 3.29Å; I155-N169 PolarHBondContact O-ND2 2.95Å; I155-I172 HydrophobicContact CD1-CB 4.26Å; I155-I172 HydrophobicContact CD1-CD1 4.46Å; I155-I172 HydrophobicContact CD1-CG2 4.07Å; I155-L173 HydrophobicContact CD1-CG 4.4Å; I155-L173 HydrophobicContact CG2-CD2 4.36Å |
| 156 | V | 94.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175 | 170 | 0 | 0 | 0 | 0 | 111 | I152 S159 L206 L210 | I152-V156 HydrophobicContact CG2-CG2 4.39Å; I152-V156 VanDerWaalsContact O-CB 3.3Å; I152-V156 WeakPolarHBondContact O-CB 3.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.42Å; I152-V156 PolarHBondContact O-N 2.86Å; I152-V156 VanDerWaalsContact O-N 3.09Å; V156-S159 PolarHBondContact O-N 2.84Å; V156-L206 HydrophobicContact CG2-CB 4.3Å; V156-L210 HydrophobicContact CG1-CB 4.33Å; V156-L210 HydrophobicContact CG2-CB 4.42Å; V156-L210 HydrophobicContact CG2-CD2 4.21Å |
| 157 | G | 93.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S153 D154 S159 K160 | S153-G157 PolarHBondContact O-N 3.13Å; D154-G157 PolarHBondContact O-N 3.44Å; G157-S159 VanDerWaalsContact C-N 3.29Å; G157-S159 PolarHBondContact O-N 3.45Å; G157-K160 PolarHBondContact O-N 3.24Å; G157-K160 VanDerWaalsContact O-N 3.16Å |
| 158 | A | 93.1 | Very high | 94 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -34.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D154 K160 T161 L165 | D154-A158 VanDerWaalsContact O-CB 3.29Å; D154-A158 WeakPolarHBondContact O-CB 3.46Å; D154-A158 PolarHBondContact O-N 2.97Å; A158-K160 PolarHBondContact O-N 3.24Å; A158-T161 PolarHBondContact O-N 3.2Å; A158-T161 VanDerWaalsContact O-N 3.1Å; A158-T161 PolarHBondContact O-OG1 3.27Å; A158-L165 HydrophobicContact CB-CD2 3.94Å |
| 159 | S | 94.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -21.8 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | I155 V156 G157 C166 N169 | I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.46Å; I155-S159 PolarHBondContact O-N 3.47Å; I155-S159 PolarHBondContact O-OG 2.95Å; V156-S159 PolarHBondContact O-N 2.84Å; G157-S159 VanDerWaalsContact C-N 3.29Å; G157-S159 PolarHBondContact O-N 3.45Å; S159-C166 WeakPolarHBondContact O-CB 3.42Å; S159-N169 WeakPolarHBondContact OG-CB 3.37Å; S159-N169 PolarHBondContact OG-ND2 2.7Å |
| 160 | K | 91.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 37.6 Ų | 37.6 | 56% | 0.557 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8 | 177.1 | -66 | 177.3 | -178.5 | 178 | 0 | 113.6 | G157 A158 | G157-K160 PolarHBondContact O-N 3.24Å; G157-K160 VanDerWaalsContact O-N 3.16Å; A158-K160 PolarHBondContact O-N 3.24Å |
| 161 | T | 92.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 35.5 Ų | 35.5 | 70% | 0.699 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -31.3 | -175.9 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | A158 | A158-T161 PolarHBondContact O-N 3.2Å; A158-T161 VanDerWaalsContact O-N 3.1Å; A158-T161 PolarHBondContact O-OG1 3.27Å |
| 162 | N | 90.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | -147.4 | 126 | -178.6 | -179.2 | -9.1 | 0 | 0 | 0 | 110.3 | S117 S164 L165 C166 | S117-N162 PolarHBondContact O-ND2 3.47Å; S117-N162 VanDerWaalsContact O-ND2 3.14Å; N162-S164 VanDerWaalsContact C-N 3.35Å; N162-S164 PolarHBondContact ND2-OG 3.39Å; N162-S164 PolarHBondContact O-N 2.9Å; N162-S164 PolarHBondContact OD1-N 3.19Å; N162-S164 PolarHBondContact OD1-OG 3.22Å; N162-L165 HydrophobicContact CB-CB 3.96Å; N162-L165 PolarHBondContact O-N 3.07Å; N162-C166 WeakPolarHBondContact O-CB 3.47Å; N162-C166 PolarHBondContact O-N 3.26Å | ||
| 163 | E | 93.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 35 Ų | 35 | 42% | 0.416 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -33.7 | 179.1 | -71.8 | -161.1 | 142.5 | 0 | 0 | 113.4 | C166 Q167 S218 N220 L223 | E163-C166 WeakPolarHBondContact O-CB 3.42Å; E163-C166 PolarHBondContact O-N 3.39Å; E163-Q167 PolarHBondContact O-N 2.65Å; E163-S218 PolarHBondContact OE1-OG 3.01Å; E163-N220 VanDerWaalsContact OE2-CB 3.26Å; E163-N220 WeakPolarHBondContact OE2-CB 3.43Å; E163-L223 HydrophobicContact CB-CD2 4.03Å; E163-L223 HydrophobicContact CG-CD2 4.1Å |
| 164 | S | 93.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.2 | -37.5 | 177.7 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | S116 S117 L122 N162 Q167 N168 | S116-S164 CarbonylContact O-C 3.54Å; S116-S164 VanDerWaalsContact O-CB 3.31Å; S116-S164 WeakPolarHBondContact O-CB 3.47Å; S116-S164 PolarHBondContact O-OG 3.48Å; S117-S164 PolarHBondContact O-OG 3.16Å; L122-S164 WeakPolarHBondContact CD1-O 3.07Å; N162-S164 VanDerWaalsContact C-N 3.35Å; N162-S164 PolarHBondContact ND2-OG 3.39Å; N162-S164 PolarHBondContact O-N 2.9Å; N162-S164 PolarHBondContact OD1-N 3.19Å; N162-S164 PolarHBondContact OD1-OG 3.22Å; S164-Q167 WeakPolarHBondContact O-CB 2.86Å; S164-Q167 PolarHBondContact O-N 3.13Å; S164-N168 PolarHBondContact O-N 2.88Å |
| 165 | L | 93.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -41.5 | 173 | -172.4 | 63.7 | 0 | 0 | 0 | 110.8 | I113 S116 A158 N162 Q167 N168 N169 | I113-L165 HydrophobicContact CG1-CD1 4.39Å; S116-L165 VanDerWaalsContact OG-CD1 3.27Å; S116-L165 WeakPolarHBondContact OG-CD1 3.43Å; A158-L165 HydrophobicContact CB-CD2 3.94Å; N162-L165 HydrophobicContact CB-CB 3.96Å; N162-L165 PolarHBondContact O-N 3.07Å; L165-Q167 VanDerWaalsContact C-N 3.3Å; L165-Q167 PolarHBondContact O-N 3.21Å; L165-N168 PolarHBondContact O-N 3.22Å; L165-N169 WeakPolarHBondContact O-CB 3.24Å; L165-N169 PolarHBondContact O-N 3.29Å; L165-N169 PolarHBondContact O-ND2 3.12Å; L165-N169 PolarHBondContact O-OD1 3.14Å |
| 166 | C | 95.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -44.2 | 172.6 | -170 | 0 | 0 | 0 | 0 | 111.6 | S159 N162 E163 N168 N169 M170 L223 | S159-C166 WeakPolarHBondContact O-CB 3.42Å; N162-C166 WeakPolarHBondContact O-CB 3.47Å; N162-C166 PolarHBondContact O-N 3.26Å; E163-C166 WeakPolarHBondContact O-CB 3.42Å; E163-C166 PolarHBondContact O-N 3.39Å; C166-N168 PolarHBondContact O-N 3.07Å; C166-N169 PolarHBondContact O-N 2.66Å; C166-M170 WeakPolarHBondContact O-CG 3.48Å; C166-M170 PolarHBondContact O-N 3.45Å; C166-L223 HydrophobicContact CB-CD1 4.02Å; C166-L223 HydrophobicContact CB-CD2 4.23Å |
| 167 | Q | 95.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 178.6 | -178 | -176.4 | -23 | 0 | 0 | 110.9 | L122 E163 S164 L165 N169 M170 V171 S222 L223 S226 | L122-Q167 HydrophobicContact CD1-CB 4.45Å; E163-Q167 PolarHBondContact O-N 2.65Å; S164-Q167 WeakPolarHBondContact O-CB 2.86Å; S164-Q167 PolarHBondContact O-N 3.13Å; L165-Q167 VanDerWaalsContact C-N 3.3Å; L165-Q167 PolarHBondContact O-N 3.21Å; Q167-N169 VanDerWaalsContact C-N 3.35Å; Q167-M170 PolarHBondContact O-N 3.49Å; Q167-V171 PolarHBondContact O-N 3.33Å; Q167-S222 PolarHBondContact OE1-OG 2.83Å; Q167-L223 HydrophobicContact CB-CB 4.32Å; Q167-L223 HydrophobicContact CB-CD1 4.08Å; Q167-S226 WeakPolarHBondContact CG-OG 3.4Å |
| 168 | N | 96.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 177.3 | -169.2 | 67.3 | 0 | 0 | 0 | 112.5 | I112 L129 N133 S164 L165 C166 M170 V171 I172 | I112-N168 VanDerWaalsContact CG2-ND2 3.35Å; I112-N168 WeakPolarHBondContact CG2-ND2 3.31Å; L129-N168 WeakPolarHBondContact CD2-OD1 3.48Å; L129-N168 WeakPolarHBondContact CG-OD1 3.48Å; N133-N168 PolarHBondContact ND2-OD1 2.67Å; N133-N168 PolarHBondContact OD1-ND2 3.4Å; N133-N168 PolarHBondContact OD1-OD1 3.38Å; S164-N168 PolarHBondContact O-N 2.88Å; L165-N168 PolarHBondContact O-N 3.22Å; C166-N168 PolarHBondContact O-N 3.07Å; N168-M170 VanDerWaalsContact C-N 3.31Å; N168-M170 PolarHBondContact O-N 2.8Å; N168-V171 WeakPolarHBondContact O-CA 3.17Å; N168-V171 WeakPolarHBondContact O-CB 3.39Å; N168-V171 PolarHBondContact O-N 3.32Å; N168-V171 VanDerWaalsContact O-N 3.09Å; N168-I172 WeakPolarHBondContact ND2-CD1 3.41Å; N168-I172 PolarHBondContact O-N 2.79Å |
| 169 | N | 96.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.9 | -72.5 | -13.8 | 0 | 0 | 0 | 112.4 | I155 S159 L165 C166 Q167 V171 I172 L173 | I155-N169 HydrophobicContact CD1-CB 3.75Å; I155-N169 HydrophobicContact CG1-CB 3.63Å; I155-N169 WeakPolarHBondContact CG1-ND2 3.41Å; I155-N169 WeakPolarHBondContact CG1-OD1 3.29Å; I155-N169 PolarHBondContact O-ND2 2.95Å; S159-N169 WeakPolarHBondContact OG-CB 3.37Å; S159-N169 PolarHBondContact OG-ND2 2.7Å; L165-N169 WeakPolarHBondContact O-CB 3.24Å; L165-N169 PolarHBondContact O-N 3.29Å; L165-N169 PolarHBondContact O-ND2 3.12Å; L165-N169 PolarHBondContact O-OD1 3.14Å; C166-N169 PolarHBondContact O-N 2.66Å; Q167-N169 VanDerWaalsContact C-N 3.35Å; N169-V171 VanDerWaalsContact C-N 3.29Å; N169-V171 PolarHBondContact O-N 3.27Å; N169-I172 PolarHBondContact O-N 3.29Å; N169-L173 WeakPolarHBondContact O-CB 3.42Å; N169-L173 VanDerWaalsContact O-CG 3.31Å; N169-L173 WeakPolarHBondContact O-CG 3.37Å; N169-L173 PolarHBondContact O-N 2.8Å |
| 170 | M | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 171.3 | -71 | -61.9 | -179.9 | 0 | 0 | 111.7 | C166 Q167 N168 L173 R174 L210 V214 L223 T227 T230 | C166-M170 WeakPolarHBondContact O-CG 3.48Å; C166-M170 PolarHBondContact O-N 3.45Å; Q167-M170 PolarHBondContact O-N 3.49Å; N168-M170 VanDerWaalsContact C-N 3.31Å; N168-M170 PolarHBondContact O-N 2.8Å; M170-L173 PolarHBondContact O-N 3.07Å; M170-L173 HydrophobicContact SD-CD1 4.48Å; M170-R174 WeakPolarHBondContact O-CB 3.42Å; M170-R174 PolarHBondContact O-N 3.09Å; M170-L210 HydrophobicContact CE-CD2 3.78Å; M170-L210 HydrophobicContact CE-CG 3.67Å; M170-V214 HydrophobicContact CE-CB 4.42Å; M170-V214 HydrophobicContact CE-CG2 3.93Å; M170-L223 HydrophobicContact CG-CD1 4.28Å; M170-T227 HydrophobicContact CE-CG2 3.83Å; M170-T227 HydrophobicContact SD-CG2 4.17Å; M170-T230 PolarHBondContact O-OG1 3.32Å |
| 171 | V | 96.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | Q167 N168 N169 L173 R174 L175 | Q167-V171 PolarHBondContact O-N 3.33Å; N168-V171 WeakPolarHBondContact O-CA 3.17Å; N168-V171 WeakPolarHBondContact O-CB 3.39Å; N168-V171 PolarHBondContact O-N 3.32Å; N168-V171 VanDerWaalsContact O-N 3.09Å; N169-V171 VanDerWaalsContact C-N 3.29Å; N169-V171 PolarHBondContact O-N 3.27Å; V171-L173 PolarHBondContact O-N 3.39Å; V171-R174 WeakPolarHBondContact O-CB 3.31Å; V171-R174 PolarHBondContact O-N 2.96Å; V171-L175 HydrophobicContact CG1-CD1 4.05Å; V171-L175 HydrophobicContact CG1-CG 4.37Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.45Å; V171-L175 PolarHBondContact O-N 3.42Å |
| 172 | I | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.4 | -68 | 162.1 | 0 | 0 | 0 | 110.9 | I112 N133 L136 V137 F151 I155 N168 N169 R174 L175 L176 | I112-I172 HydrophobicContact CG2-CD1 4.3Å; N133-I172 HydrophobicContact CB-CG1 3.97Å; N133-I172 WeakPolarHBondContact OD1-CG1 3.37Å; L136-I172 HydrophobicContact CD2-CD1 3.85Å; L136-I172 HydrophobicContact CD2-CG1 4.41Å; L136-I172 HydrophobicContact CD2-CG2 4.14Å; V137-I172 HydrophobicContact CG2-CG2 4.42Å; F151-I172 HydrophobicContact CZ-CG2 4.12Å; I155-I172 HydrophobicContact CD1-CB 4.26Å; I155-I172 HydrophobicContact CD1-CD1 4.46Å; I155-I172 HydrophobicContact CD1-CG2 4.07Å; N168-I172 WeakPolarHBondContact ND2-CD1 3.41Å; N168-I172 PolarHBondContact O-N 2.79Å; N169-I172 PolarHBondContact O-N 3.29Å; I172-R174 VanDerWaalsContact C-N 3.3Å; I172-R174 PolarHBondContact O-N 2.85Å; I172-L175 PolarHBondContact O-N 2.79Å; I172-L176 WeakPolarHBondContact O-CB 3.38Å; I172-L176 PolarHBondContact O-N 2.99Å |
| 173 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -36.6 | 178.4 | -71.7 | 170 | 0 | 0 | 0 | 112.2 | I152 I155 N169 M170 V171 S177 I207 T230 F234 | I152-L173 HydrophobicContact CD1-CD2 3.97Å; I155-L173 HydrophobicContact CD1-CG 4.4Å; I155-L173 HydrophobicContact CG2-CD2 4.36Å; N169-L173 WeakPolarHBondContact O-CB 3.42Å; N169-L173 VanDerWaalsContact O-CG 3.31Å; N169-L173 WeakPolarHBondContact O-CG 3.37Å; N169-L173 PolarHBondContact O-N 2.8Å; M170-L173 PolarHBondContact O-N 3.07Å; M170-L173 HydrophobicContact SD-CD1 4.48Å; V171-L173 PolarHBondContact O-N 3.39Å; L173-S177 PolarHBondContact O-N 3.19Å; L173-I207 HydrophobicContact CD1-CG2 4.09Å; L173-I207 HydrophobicContact CD2-CD1 4.03Å; L173-I207 HydrophobicContact CD2-CG1 4.24Å; L173-T230 HydrophobicContact CB-CG2 4.2Å; L173-F234 HydrophobicContact CB-CZ 4.18Å |
| 174 | R | 96.7 | Very high | 93.8 | Very high | 49 Ų | 49 | 21 Ų | 21 | 19% | 0.185 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -51.4 | 173.5 | -173.4 | -179.9 | 67.3 | -167.6 | -2 | 111.6 | M170 V171 I172 L176 S177 E178 E229 T230 R233 | M170-R174 WeakPolarHBondContact O-CB 3.42Å; M170-R174 PolarHBondContact O-N 3.09Å; V171-R174 WeakPolarHBondContact O-CB 3.31Å; V171-R174 PolarHBondContact O-N 2.96Å; I172-R174 VanDerWaalsContact C-N 3.3Å; I172-R174 PolarHBondContact O-N 2.85Å; R174-L176 VanDerWaalsContact C-N 3.28Å; R174-L176 PolarHBondContact O-N 3.38Å; R174-S177 VanDerWaalsContact O-CB 3.27Å; R174-S177 WeakPolarHBondContact O-CB 3.28Å; R174-S177 PolarHBondContact O-N 2.95Å; R174-S177 VanDerWaalsContact O-N 3.1Å; R174-E178 WeakPolarHBondContact O-CG 3.49Å; R174-E178 PolarHBondContact O-N 3.12Å; R174-E229 IonicContact CZ-OE2 3.84Å; R174-E229 IonicContact NH1-OE2 3.45Å; R174-E229 PolarHBondContact NH1-OE2 2.94Å; R174-T230 HydrophobicContact CB-CG2 4.05Å; R174-R233 HydrophobicContact CG-CB 4.28Å; R174-R233 HydrophobicContact CG-CG 3.68Å |
| 175 | L | 96.2 | Very high | 93.3 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 12% | 0.115 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 179.7 | -68.5 | 172.6 | 0 | 0 | 0 | 111.4 | N133 M134 V137 V171 I172 E178 E179 | N133-L175 HydrophobicContact CB-CD1 3.86Å; M134-L175 HydrophobicContact CG-CD1 4.37Å; M134-L175 HydrophobicContact SD-CB 4.38Å; M134-L175 HydrophobicContact SD-CD1 3.76Å; M134-L175 HydrophobicContact SD-CD2 3.66Å; M134-L175 HydrophobicContact SD-CG 4.13Å; V137-L175 HydrophobicContact CG2-CB 3.87Å; V171-L175 HydrophobicContact CG1-CD1 4.05Å; V171-L175 HydrophobicContact CG1-CG 4.37Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.45Å; V171-L175 PolarHBondContact O-N 3.42Å; I172-L175 PolarHBondContact O-N 2.79Å; L175-E178 PolarHBondContact O-N 2.76Å; L175-E179 WeakPolarHBondContact O-CB 3.31Å; L175-E179 WeakPolarHBondContact O-CG 3.14Å; L175-E179 PolarHBondContact O-N 2.95Å |
| 176 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 173.7 | -177.6 | 63.5 | 0 | 0 | 0 | 111.6 | V137 L140 F151 I172 R174 E179 V180 | V137-L176 HydrophobicContact CG1-CD1 4.24Å; V137-L176 HydrophobicContact CG2-CB 4.43Å; L140-L176 HydrophobicContact CB-CD1 4.22Å; L140-L176 HydrophobicContact CD1-CD1 4.33Å; L140-L176 HydrophobicContact CD1-CD2 4.33Å; F151-L176 HydrophobicContact CE1-CD2 4.3Å; I172-L176 WeakPolarHBondContact O-CB 3.38Å; I172-L176 PolarHBondContact O-N 2.99Å; R174-L176 VanDerWaalsContact C-N 3.28Å; R174-L176 PolarHBondContact O-N 3.38Å; L176-E179 PolarHBondContact O-N 2.86Å; L176-V180 HydrophobicContact CD1-CG2 4Å; L176-V180 HydrophobicContact CG-CG2 4.45Å; L176-V180 WeakPolarHBondContact O-CB 3.43Å; L176-V180 VanDerWaalsContact O-CG2 3.22Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 2.96Å |
| 177 | S | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 174 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | L173 R174 V180 F181 W237 | L173-S177 PolarHBondContact O-N 3.19Å; R174-S177 VanDerWaalsContact O-CB 3.27Å; R174-S177 WeakPolarHBondContact O-CB 3.28Å; R174-S177 PolarHBondContact O-N 2.95Å; R174-S177 VanDerWaalsContact O-N 3.1Å; S177-V180 PolarHBondContact O-N 2.89Å; S177-F181 WeakPolarHBondContact O-CB 3.45Å; S177-F181 PolarHBondContact O-N 3.32Å; S177-W237 PolarHBondContact OG-NE1 3.42Å |
| 178 | E | 93.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -61.1 | -46.4 | -179.8 | -72.5 | 176.1 | 161.3 | 0 | 0 | 110.8 | R174 L175 V180 D182 F183 R233 | R174-E178 WeakPolarHBondContact O-CG 3.49Å; R174-E178 PolarHBondContact O-N 3.12Å; L175-E178 PolarHBondContact O-N 2.76Å; E178-V180 PolarHBondContact O-N 3.41Å; E178-D182 CarbonylContact O-C 3.57Å; E178-D182 WeakPolarHBondContact O-CA 3.22Å; E178-D182 WeakPolarHBondContact O-CB 2.83Å; E178-D182 PolarHBondContact O-N 3.45Å; E178-F183 HydrophobicContact CB-CD2 3.99Å; E178-F183 HydrophobicContact CB-CE2 3.85Å; E178-F183 HydrophobicContact CG-CE2 4.47Å; E178-F183 WeakPolarHBondContact O-CD2 3.41Å; E178-F183 PolarHBondContact O-N 2.74Å; E178-R233 HydrophobicContact CG-CG 4.01Å; E178-R233 WeakPolarHBondContact OE1-CD 3.4Å; E178-R233 IonicContact OE1-CZ 2.66Å; E178-R233 IonicContact OE1-NE 3.74Å; E178-R233 PolarHBondContact OE1-NE 3.25Å; E178-R233 IonicContact OE1-NH2 2.64Å |
| 179 | E | 92.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -66 | -34.1 | 178.6 | -75.5 | -69 | 129.8 | 0 | 0 | 113.7 | V137 K141 L175 L176 S184 M188 | V137-E179 HydrophobicContact CG1-CB 4Å; V137-E179 HydrophobicContact CG1-CG 3.7Å; K141-E179 HydrophobicContact CD-CB 4.24Å; K141-E179 HydrophobicContact CD-CG 4.5Å; K141-E179 IonicContact NZ-OE2 3.87Å; K141-E179 PolarHBondContact NZ-OE2 3.33Å; L175-E179 WeakPolarHBondContact O-CB 3.31Å; L175-E179 WeakPolarHBondContact O-CG 3.14Å; L175-E179 PolarHBondContact O-N 2.95Å; L176-E179 PolarHBondContact O-N 2.86Å; E179-S184 PolarHBondContact O-N 3.36Å; E179-M188 WeakPolarHBondContact O-CE 3.39Å |
| 180 | V | 92 | Very high | 91 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -85.9 | -37.3 | -177.1 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | L176 S177 E178 S184 L196 K197 | L176-V180 HydrophobicContact CD1-CG2 4Å; L176-V180 HydrophobicContact CG-CG2 4.45Å; L176-V180 WeakPolarHBondContact O-CB 3.43Å; L176-V180 VanDerWaalsContact O-CG2 3.22Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 2.96Å; S177-V180 PolarHBondContact O-N 2.89Å; E178-V180 PolarHBondContact O-N 3.41Å; V180-S184 WeakPolarHBondContact O-CB 3.44Å; V180-S184 PolarHBondContact O-OG 2.95Å; V180-L196 HydrophobicContact CG1-CB 3.8Å; V180-L196 HydrophobicContact CG2-CB 4.1Å; V180-L196 HydrophobicContact CG2-CD1 4.37Å; V180-K197 HydrophobicContact CG1-CB 4.38Å; V180-K197 HydrophobicContact CG1-CG 3.63Å; V180-K197 WeakPolarHBondContact O-CE 3.3Å |
| 181 | F | 90.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -105.6 | -41.3 | -173.1 | -70.7 | -90.9 | 0 | 0 | 0 | 114 | S177 K197 M200 W237 | S177-F181 WeakPolarHBondContact O-CB 3.45Å; S177-F181 PolarHBondContact O-N 3.32Å; F181-K197 HydrophobicContact CD1-CD 4.06Å; F181-K197 HydrophobicContact CD1-CG 3.87Å; F181-K197 HydrophobicContact CE1-CB 3.83Å; F181-K197 HydrophobicContact CE1-CD 4.01Å; F181-K197 HydrophobicContact CE1-CG 3.54Å; F181-K197 HydrophobicContact CE2-CG 4.26Å; F181-K197 HydrophobicContact CG-CG 4.38Å; F181-K197 HydrophobicContact CZ-CB 3.82Å; F181-K197 HydrophobicContact CZ-CG 3.76Å; F181-M200 HydrophobicContact CD2-SD 4.21Å; F181-M200 HydrophobicContact CE2-CB 4.02Å; F181-M200 HydrophobicContact CE2-CG 4.3Å; F181-M200 HydrophobicContact CE2-SD 3.61Å; F181-M200 HydrophobicContact CZ-CB 4.32Å; F181-W237 HydrophobicContact CB-CG 4.37Å; F181-W237 HydrophobicContact CD1-CB 3.39Å; F181-W237 AromaticContact CD1-CD1 3.67Å; F181-W237 AromaticContact CD1-CD2 3.9Å; F181-W237 HydrophobicContact CD1-CD2 3.9Å; F181-W237 AromaticContact CD1-CG 3.35Å; F181-W237 HydrophobicContact CD1-CG 3.35Å; F181-W237 AromaticContact CD2-CD1 3.67Å; F181-W237 AromaticContact CD2-CD2 3.9Å; F181-W237 HydrophobicContact CD2-CD2 3.9Å; F181-W237 AromaticContact CD2-CE2 3.66Å; F181-W237 AromaticContact CD2-CG 3.91Å; F181-W237 HydrophobicContact CD2-CG 3.91Å; F181-W237 HydrophobicContact CD2-CZ2 4.26Å; F181-W237 AromaticContact CD2-NE1 3.49Å; F181-W237 HydrophobicContact CE1-CB 3.49Å; F181-W237 VanDerWaalsContact CE1-CB 3.49Å; F181-W237 AromaticContact CE1-CD2 3.52Å; F181-W237 HydrophobicContact CE1-CD2 3.52Å; F181-W237 AromaticContact CE1-CE3 3.73Å; F181-W237 HydrophobicContact CE1-CE3 3.73Å; F181-W237 AromaticContact CE1-CG 3.42Å; F181-W237 HydrophobicContact CE1-CG 3.42Å; F181-W237 VanDerWaalsContact CE1-CG 3.42Å; F181-W237 AromaticContact CE2-CD2 3.52Å; F181-W237 HydrophobicContact CE2-CD2 3.52Å; F181-W237 AromaticContact CE2-CE2 3.44Å; F181-W237 VanDerWaalsContact CE2-CE2 3.44Å; F181-W237 AromaticContact CE2-CE3 3.88Å; F181-W237 HydrophobicContact CE2-CE3 3.88Å; F181-W237 AromaticContact CE2-CG 3.98Å; F181-W237 HydrophobicContact CE2-CG 3.98Å; F181-W237 HydrophobicContact CE2-CH2 4.1Å; F181-W237 AromaticContact CE2-CZ2 3.76Å; F181-W237 HydrophobicContact CE2-CZ2 3.76Å; F181-W237 HydrophobicContact CE2-CZ3 4.16Å; F181-W237 AromaticContact CE2-NE1 3.8Å; F181-W237 HydrophobicContact CG-CB 4.1Å; F181-W237 AromaticContact CG-CD1 3.42Å; F181-W237 VanDerWaalsContact CG-CD1 3.42Å; F181-W237 HydrophobicContact CG-CD2 4.08Å; F181-W237 AromaticContact CG-CG 3.61Å; F181-W237 HydrophobicContact CG-CG 3.61Å; F181-W237 AromaticContact CG-NE1 3.76Å; F181-W237 HydrophobicContact CZ-CB 4.27Å; F181-W237 AromaticContact CZ-CD2 3.31Å; F181-W237 HydrophobicContact CZ-CD2 3.31Å; F181-W237 AromaticContact CZ-CE2 3.78Å; F181-W237 AromaticContact CZ-CE3 3.34Å; F181-W237 HydrophobicContact CZ-CE3 3.34Å; F181-W237 AromaticContact CZ-CG 3.75Å; F181-W237 HydrophobicContact CZ-CG 3.75Å; F181-W237 HydrophobicContact CZ-CH2 4.24Å; F181-W237 HydrophobicContact CZ-CZ2 4.23Å; F181-W237 AromaticContact CZ-CZ3 3.83Å; F181-W237 HydrophobicContact CZ-CZ3 3.83Å |
| 182 | D | 86.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 34% | 0.342 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -93.4 | -39.8 | -172.6 | -58.3 | -28.9 | 0 | 0 | 0 | 111.9 | E178 H236 | E178-D182 CarbonylContact O-C 3.57Å; E178-D182 WeakPolarHBondContact O-CA 3.22Å; E178-D182 WeakPolarHBondContact O-CB 2.83Å; E178-D182 PolarHBondContact O-N 3.45Å; D182-H236 IonicContact OD1-ND1 2.99Å |
| 183 | F | 87.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 33.7 Ų | 33.7 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -113.8 | 11.7 | -171.7 | -53.5 | -52.1 | 0 | 0 | 0 | 114.9 | E178 L185 Q187 | E178-F183 HydrophobicContact CB-CD2 3.99Å; E178-F183 HydrophobicContact CB-CE2 3.85Å; E178-F183 HydrophobicContact CG-CE2 4.47Å; E178-F183 WeakPolarHBondContact O-CD2 3.41Å; E178-F183 PolarHBondContact O-N 2.74Å; F183-L185 PolarHBondContact O-N 3.43Å; F183-Q187 WeakPolarHBondContact O-CG 2.86Å |
| 184 | S | 86 | Confident | 89.4 | Confident | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | trans | -63.8 | -30.9 | -179.4 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | E179 V180 G186 Q187 M188 | E179-S184 PolarHBondContact O-N 3.36Å; V180-S184 WeakPolarHBondContact O-CB 3.44Å; V180-S184 PolarHBondContact O-OG 2.95Å; S184-G186 PolarHBondContact O-N 3.48Å; S184-G186 VanDerWaalsContact O-N 3.13Å; S184-Q187 PolarHBondContact O-N 3.35Å; S184-M188 WeakPolarHBondContact O-CG 3.24Å; S184-M188 PolarHBondContact O-N 3.21Å | ||
| 185 | L | 82.5 | Confident | 89.1 | Confident | 121 Ų | 121 | 38.7 Ų | 38.7 | 63% | 0.634 | 19% | 0.192 | S | C | * | . | B | Isolated β-bridge | trans | -65 | 112.8 | -174.3 | -168.8 | 70.5 | 0 | 0 | 0 | 111.4 | F183 Q187 | F183-L185 PolarHBondContact O-N 3.43Å; L185-Q187 VanDerWaalsContact C-N 3.3Å; L185-Q187 PolarHBondContact O-N 3.37Å |
| 186 | G | 82.2 | Confident | 88.8 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | S184 V1026 | S184-G186 PolarHBondContact O-N 3.48Å; S184-G186 VanDerWaalsContact O-N 3.13Å; G186-V1026 WeakPolarHBondContact O-CG2 3.49Å |
| 187 | Q | 84.9 | Confident | 88.7 | Confident | 96 Ų | 96 | 40.8 Ų | 40.8 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -28.1 | 171.1 | -63.7 | -61.8 | -28.1 | 0 | 0 | 112.5 | F183 S184 L185 | F183-Q187 WeakPolarHBondContact O-CG 2.86Å; S184-Q187 PolarHBondContact O-N 3.35Å; L185-Q187 VanDerWaalsContact C-N 3.3Å; L185-Q187 PolarHBondContact O-N 3.37Å |
| 188 | M | 87.2 | Confident | 88.6 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -136.5 | 162.7 | 175.9 | 59.5 | -175.4 | 77.4 | 0 | 0 | 109.8 | K141 E179 S184 K192 A193 L196 | K141-M188 HydrophobicContact CD-CE 4.4Å; K141-M188 HydrophobicContact CG-CE 4.43Å; E179-M188 WeakPolarHBondContact O-CE 3.39Å; S184-M188 WeakPolarHBondContact O-CG 3.24Å; S184-M188 PolarHBondContact O-N 3.21Å; M188-K192 HydrophobicContact CB-CD 4.46Å; M188-A193 HydrophobicContact CG-CB 3.89Å; M188-A193 VanDerWaalsContact SD-CA 3.56Å; M188-A193 HydrophobicContact SD-CB 3.69Å; M188-L196 HydrophobicContact CE-CD1 4.19Å; M188-L196 HydrophobicContact SD-CD1 3.81Å |
| 189 | T | 87.7 | Confident | 88.5 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | trans | -69.3 | 154.5 | 174.8 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | T191 K192 A193 D1023 V1026 Q1027 | T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.13Å; T189-K192 PolarHBondContact O-N 2.94Å; T189-K192 VanDerWaalsContact OG1-CB 3.25Å; T189-K192 WeakPolarHBondContact OG1-CB 3.28Å; T189-K192 PolarHBondContact OG1-N 3.27Å; T189-A193 PolarHBondContact O-N 3.43Å; T189-D1023 VanDerWaalsContact CA-OD1 3.25Å; T189-D1023 WeakPolarHBondContact CA-OD1 3.23Å; T189-D1023 HydrophobicContact CG2-CB 4.2Å; T189-V1026 HydrophobicContact CG2-CG1 4.39Å; T189-Q1027 HydrophobicContact CG2-CG 3.97Å | ||
| 190 | Q | 87.3 | Confident | 88.5 | Confident | 75 Ų | 75 | 42.4 Ų | 42.4 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.1 | -45.9 | 179.9 | -68.7 | -166 | -30.2 | 0 | 0 | 112.8 | A193 K194 E1019 D1023 | Q190-A193 PolarHBondContact O-N 3.32Å; Q190-K194 WeakPolarHBondContact O-CB 3.45Å; Q190-K194 PolarHBondContact O-N 3.26Å; Q190-E1019 PolarHBondContact NE2-OE2 3.43Å; Q190-D1023 WeakPolarHBondContact CG-OD1 3.46Å; Q190-D1023 PolarHBondContact N-OD1 3.09Å |
| 191 | T | 86.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | -179 | -39.5 | 0 | 0 | 0 | 0 | 110.9 | T189 A193 K194 H195 Y1040 E1043 | T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.13Å; T191-A193 PolarHBondContact O-N 2.89Å; T191-K194 WeakPolarHBondContact O-CB 3.43Å; T191-K194 PolarHBondContact O-N 2.89Å; T191-H195 PolarHBondContact O-CD2 2.96Å; T191-H195 PolarHBondContact O-N 3.44Å; T191-Y1040 HydrophobicContact CG2-CD2 4.08Å; T191-Y1040 HydrophobicContact CG2-CG 3.78Å; T191-E1043 HydrophobicContact CG2-CB 4.3Å; T191-E1043 VanDerWaalsContact CG2-OE2 3.23Å; T191-E1043 WeakPolarHBondContact CG2-OE2 3.34Å |
| 192 | K | 88.2 | Confident | 88.5 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.2 | -176.3 | 171 | 178.9 | 173.8 | 0 | 112.2 | K141 M188 T189 K194 H195 L196 D1038 | K141-K192 WeakPolarHBondContact O-CE 3.17Å; K141-K192 PolarHBondContact O-NZ 2.92Å; M188-K192 HydrophobicContact CB-CD 4.46Å; T189-K192 PolarHBondContact O-N 2.94Å; T189-K192 VanDerWaalsContact OG1-CB 3.25Å; T189-K192 WeakPolarHBondContact OG1-CB 3.28Å; T189-K192 PolarHBondContact OG1-N 3.27Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.48Å; K192-H195 PolarHBondContact O-N 2.81Å; K192-L196 HydrophobicContact CG-CD1 4.24Å; K192-L196 WeakPolarHBondContact O-CG 3.27Å; K192-L196 PolarHBondContact O-N 2.91Å; K192-D1038 IonicContact NZ-OD2 2.89Å |
| 193 | A | 89.4 | Confident | 88.8 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M188 T189 Q190 T191 L196 K197 | M188-A193 HydrophobicContact CG-CB 3.89Å; M188-A193 VanDerWaalsContact SD-CA 3.56Å; M188-A193 HydrophobicContact SD-CB 3.69Å; T189-A193 PolarHBondContact O-N 3.43Å; Q190-A193 PolarHBondContact O-N 3.32Å; T191-A193 PolarHBondContact O-N 2.89Å; A193-L196 PolarHBondContact O-N 2.89Å; A193-K197 WeakPolarHBondContact O-CB 3.43Å; A193-K197 WeakPolarHBondContact O-CG 3.45Å; A193-K197 PolarHBondContact O-N 3.28Å |
| 194 | K | 90.3 | Very high | 89.1 | Confident | 112 Ų | 112 | 44.1 Ų | 44.1 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 177.2 | -175.7 | -176.4 | 176.1 | -171.3 | 0 | 111.7 | Q190 T191 K192 L196 K197 D198 | Q190-K194 WeakPolarHBondContact O-CB 3.45Å; Q190-K194 PolarHBondContact O-N 3.26Å; T191-K194 WeakPolarHBondContact O-CB 3.43Å; T191-K194 PolarHBondContact O-N 2.89Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.48Å; K194-L196 PolarHBondContact O-N 3.18Å; K194-K197 PolarHBondContact O-N 2.64Å; K194-D198 WeakPolarHBondContact O-CB 3.34Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 2.82Å |
| 195 | H | 90 | Very high | 89.5 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.8 | -81.9 | -76.9 | 0 | 0 | 0 | 112.9 | T191 K192 S199 Y1040 E1043 | T191-H195 PolarHBondContact O-CD2 2.96Å; T191-H195 PolarHBondContact O-N 3.44Å; K192-H195 PolarHBondContact O-N 2.81Å; H195-S199 VanDerWaalsContact O-CB 3.26Å; H195-S199 WeakPolarHBondContact O-CB 3.38Å; H195-S199 PolarHBondContact O-N 3.03Å; H195-S199 PolarHBondContact O-OG 3.19Å; H195-Y1040 HydrophobicContact CB-CE2 4.07Å; H195-Y1040 WeakPolarHBondContact CB-OH 3.23Å; H195-Y1040 AromaticContact CD2-CD1 3.47Å; H195-Y1040 VanDerWaalsContact CD2-CD1 3.47Å; H195-Y1040 WeakPolarHBondContact CD2-CD1 3.5Å; H195-Y1040 AromaticContact CD2-CD2 3.65Å; H195-Y1040 AromaticContact CD2-CE1 3.26Å; H195-Y1040 WeakPolarHBondContact CD2-CE1 3.47Å; H195-Y1040 AromaticContact CD2-CE2 3.46Å; H195-Y1040 VanDerWaalsContact CD2-CE2 3.46Å; H195-Y1040 WeakPolarHBondContact CD2-CE2 3.22Å; H195-Y1040 AromaticContact CD2-CG 3.66Å; H195-Y1040 AromaticContact CD2-CZ 3.24Å; H195-Y1040 AromaticContact CE1-CD1 3.85Å; H195-Y1040 AromaticContact CE1-CE1 3.44Å; H195-Y1040 VanDerWaalsContact CE1-CE1 3.44Å; H195-Y1040 WeakPolarHBondContact CE1-CE1 3.31Å; H195-Y1040 AromaticContact CG-CE1 3.59Å; H195-Y1040 AromaticContact CG-CE2 3.84Å; H195-Y1040 AromaticContact CG-CZ 3.33Å; H195-Y1040 AromaticContact ND1-CE1 3.7Å; H195-Y1040 AromaticContact ND1-CZ 3.84Å; H195-Y1040 AromaticContact NE2-CD1 3.19Å; H195-Y1040 WeakPolarHBondContact NE2-CD1 2.94Å; H195-Y1040 AromaticContact NE2-CE1 3.19Å; H195-Y1040 WeakPolarHBondContact NE2-CE1 3.33Å; H195-Y1040 AromaticContact NE2-CG 3.73Å; H195-Y1040 AromaticContact NE2-CZ 3.72Å; H195-E1043 IonicContact CD2-OE2 2.81Å; H195-E1043 IonicContact CE1-OE1 3.81Å; H195-E1043 PolarHBondContact CE1-OE1 2.89Å; H195-E1043 VanDerWaalsContact CE1-OE1 3.3Å; H195-E1043 IonicContact CE1-OE2 3.9Å; H195-E1043 VanDerWaalsContact NE2-CD 3.34Å; H195-E1043 IonicContact NE2-OE1 3.44Å; H195-E1043 PolarHBondContact NE2-OE1 3.36Å; H195-E1043 IonicContact NE2-OE2 2.82Å; H195-E1043 PolarHBondContact NE2-OE2 3.1Å |
| 196 | L | 91.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.8 | -70.5 | 173.3 | 0 | 0 | 0 | 112 | W144 V180 M188 K192 A193 K194 S199 M200 | W144-L196 HydrophobicContact CE3-CD2 3.56Å; W144-L196 WeakPolarHBondContact CH2-O 3.49Å; W144-L196 HydrophobicContact CZ3-CB 4.33Å; W144-L196 HydrophobicContact CZ3-CD2 3.66Å; W144-L196 VanDerWaalsContact O-CD2 3.24Å; W144-L196 WeakPolarHBondContact O-CD2 3.4Å; V180-L196 HydrophobicContact CG1-CB 3.8Å; V180-L196 HydrophobicContact CG2-CB 4.1Å; V180-L196 HydrophobicContact CG2-CD1 4.37Å; M188-L196 HydrophobicContact CE-CD1 4.19Å; M188-L196 HydrophobicContact SD-CD1 3.81Å; K192-L196 HydrophobicContact CG-CD1 4.24Å; K192-L196 WeakPolarHBondContact O-CG 3.27Å; K192-L196 PolarHBondContact O-N 2.91Å; A193-L196 PolarHBondContact O-N 2.89Å; K194-L196 PolarHBondContact O-N 3.18Å; L196-S199 PolarHBondContact O-N 2.99Å; L196-M200 WeakPolarHBondContact O-CB 3.45Å; L196-M200 PolarHBondContact O-N 3.09Å |
| 197 | K | 92 | Very high | 90.7 | Very high | 61 Ų | 61 | 41.9 Ų | 41.9 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.4 | -72.5 | 176.3 | -177.9 | -168.6 | 0 | 111.2 | V180 F181 A193 K194 S199 M200 C201 | V180-K197 HydrophobicContact CG1-CB 4.38Å; V180-K197 HydrophobicContact CG1-CG 3.63Å; V180-K197 WeakPolarHBondContact O-CE 3.3Å; F181-K197 HydrophobicContact CD1-CD 4.06Å; F181-K197 HydrophobicContact CD1-CG 3.87Å; F181-K197 HydrophobicContact CE1-CB 3.83Å; F181-K197 HydrophobicContact CE1-CD 4.01Å; F181-K197 HydrophobicContact CE1-CG 3.54Å; F181-K197 HydrophobicContact CE2-CG 4.26Å; F181-K197 HydrophobicContact CG-CG 4.38Å; F181-K197 HydrophobicContact CZ-CB 3.82Å; F181-K197 HydrophobicContact CZ-CG 3.76Å; A193-K197 WeakPolarHBondContact O-CB 3.43Å; A193-K197 WeakPolarHBondContact O-CG 3.45Å; A193-K197 PolarHBondContact O-N 3.28Å; K194-K197 PolarHBondContact O-N 2.64Å; K197-S199 VanDerWaalsContact C-N 3.31Å; K197-S199 PolarHBondContact O-N 2.66Å; K197-M200 PolarHBondContact O-N 2.95Å; K197-C201 PolarHBondContact O-N 3.23Å; K197-C201 PolarHBondContact O-SG 3.19Å |
| 198 | D | 92.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 179.7 | -70.4 | -14.8 | 0 | 0 | 0 | 111.2 | K194 C201 Q202 | K194-D198 WeakPolarHBondContact O-CB 3.34Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 2.82Å; D198-C201 PolarHBondContact O-N 3.34Å; D198-Q202 VanDerWaalsContact O-CG 3.26Å; D198-Q202 WeakPolarHBondContact O-CG 3.4Å; D198-Q202 PolarHBondContact O-N 2.92Å |
| 199 | S | 92.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 43 Ų | 43 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | P145 H195 L196 K197 Q202 Q203 | P145-S199 WeakPolarHBondContact CG-OG 3.42Å; H195-S199 VanDerWaalsContact O-CB 3.26Å; H195-S199 WeakPolarHBondContact O-CB 3.38Å; H195-S199 PolarHBondContact O-N 3.03Å; H195-S199 PolarHBondContact O-OG 3.19Å; L196-S199 PolarHBondContact O-N 2.99Å; K197-S199 VanDerWaalsContact C-N 3.31Å; K197-S199 PolarHBondContact O-N 2.66Å; S199-Q202 PolarHBondContact O-N 3.36Å; S199-Q203 PolarHBondContact O-N 3.15Å; S199-Q203 VanDerWaalsContact O-N 3.15Å |
| 200 | M | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 176.8 | -152.4 | 169 | 173.7 | 0 | 0 | 110.4 | W144 F181 L196 K197 Q202 Q203 F204 I207 F234 W237 | W144-M200 HydrophobicContact CH2-CB 3.74Å; W144-M200 HydrophobicContact CH2-CG 4.14Å; W144-M200 HydrophobicContact CZ2-CB 4.5Å; F181-M200 HydrophobicContact CD2-SD 4.21Å; F181-M200 HydrophobicContact CE2-CB 4.02Å; F181-M200 HydrophobicContact CE2-CG 4.3Å; F181-M200 HydrophobicContact CE2-SD 3.61Å; F181-M200 HydrophobicContact CZ-CB 4.32Å; L196-M200 WeakPolarHBondContact O-CB 3.45Å; L196-M200 PolarHBondContact O-N 3.09Å; K197-M200 PolarHBondContact O-N 2.95Å; M200-Q202 PolarHBondContact O-N 3.49Å; M200-Q203 PolarHBondContact O-N 2.86Å; M200-F204 WeakPolarHBondContact O-CA 3.22Å; M200-F204 WeakPolarHBondContact O-CB 3.37Å; M200-F204 PolarHBondContact O-N 3.2Å; M200-I207 HydrophobicContact CE-CD1 4.42Å; M200-F234 HydrophobicContact CE-CD1 4.46Å; M200-F234 HydrophobicContact CE-CE1 3.66Å; M200-F234 HydrophobicContact CE-CZ 4.38Å; M200-W237 HydrophobicContact CB-CH2 4.13Å; M200-W237 HydrophobicContact CB-CZ3 4.5Å; M200-W237 HydrophobicContact CE-CH2 4.14Å; M200-W237 HydrophobicContact CE-CZ2 3.69Å; M200-W237 HydrophobicContact CG-CH2 3.65Å; M200-W237 HydrophobicContact CG-CZ2 4.05Å; M200-W237 HydrophobicContact CG-CZ3 4.47Å; M200-W237 HydrophobicContact SD-CH2 3.95Å; M200-W237 HydrophobicContact SD-CZ2 3.7Å |
| 201 | C | 91.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 29% | 0.291 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.4 | -44 | 175.7 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | K197 D198 Q203 F204 | K197-C201 PolarHBondContact O-N 3.23Å; K197-C201 PolarHBondContact O-SG 3.19Å; D198-C201 PolarHBondContact O-N 3.34Å; C201-Q203 VanDerWaalsContact C-N 3.34Å; C201-Q203 PolarHBondContact O-N 2.98Å; C201-F204 PolarHBondContact O-N 3.41Å |
| 202 | Q | 91.6 | Very high | 92.8 | Very high | 154 Ų | 154 | 42 Ų | 42 | 72% | 0.72 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.2 | -38 | 178.8 | -74.6 | 172.9 | 21 | 0 | 0 | 112.6 | D198 S199 M200 | D198-Q202 VanDerWaalsContact O-CG 3.26Å; D198-Q202 WeakPolarHBondContact O-CG 3.4Å; D198-Q202 PolarHBondContact O-N 2.92Å; S199-Q202 PolarHBondContact O-N 3.36Å; M200-Q202 PolarHBondContact O-N 3.49Å |
| 203 | Q | 92 | Very high | 93.1 | Very high | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -93.3 | -2.3 | -178.6 | -61.8 | -171.2 | -22.8 | 0 | 0 | 113.6 | W144 S149 I152 S199 M200 C201 S205 L206 | W144-Q203 VanDerWaalsContact NE1-OE1 3.15Å; S149-Q203 PolarHBondContact O-NE2 2.9Å; I152-Q203 HydrophobicContact CB-CB 4.41Å; I152-Q203 HydrophobicContact CG1-CB 4.32Å; I152-Q203 HydrophobicContact CG2-CB 4.21Å; S199-Q203 PolarHBondContact O-N 3.15Å; S199-Q203 VanDerWaalsContact O-N 3.15Å; M200-Q203 PolarHBondContact O-N 2.86Å; C201-Q203 VanDerWaalsContact C-N 3.34Å; C201-Q203 PolarHBondContact O-N 2.98Å; Q203-S205 PolarHBondContact O-N 3.4Å; Q203-L206 PolarHBondContact O-N 3.02Å |
| 204 | F | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -29.4 | -171.2 | -170.7 | -108.9 | 0 | 0 | 0 | 113.8 | M200 C201 L206 I207 F208 F234 W237 I238 Y242 | M200-F204 WeakPolarHBondContact O-CA 3.22Å; M200-F204 WeakPolarHBondContact O-CB 3.37Å; M200-F204 PolarHBondContact O-N 3.2Å; C201-F204 PolarHBondContact O-N 3.41Å; F204-L206 PolarHBondContact O-N 2.92Å; F204-I207 HydrophobicContact CD2-CB 4.12Å; F204-I207 HydrophobicContact CD2-CD1 4.21Å; F204-I207 HydrophobicContact CD2-CG2 4.34Å; F204-I207 HydrophobicContact CE2-CB 4.26Å; F204-I207 HydrophobicContact CE2-CG2 4.03Å; F204-I207 WeakPolarHBondContact O-CB 3.31Å; F204-I207 PolarHBondContact O-N 2.7Å; F204-F208 HydrophobicContact CD1-CB 4.17Å; F204-F208 HydrophobicContact CE1-CB 3.77Å; F204-F208 AromaticContact CE1-CD2 3.85Å; F204-F208 HydrophobicContact CE1-CD2 3.85Å; F204-F208 HydrophobicContact CE1-CG 4.19Å; F204-F208 HydrophobicContact CZ-CB 4.23Å; F204-F208 HydrophobicContact CZ-CD2 4.21Å; F204-F208 PolarHBondContact O-N 2.76Å; F204-F234 HydrophobicContact CE2-CB 4.17Å; F204-F234 HydrophobicContact CE2-CD1 4.06Å; F204-F234 AromaticContact CE2-CD2 3.54Å; F204-F234 HydrophobicContact CE2-CD2 3.54Å; F204-F234 HydrophobicContact CE2-CE1 4.27Å; F204-F234 AromaticContact CE2-CE2 3.77Å; F204-F234 HydrophobicContact CE2-CE2 3.77Å; F204-F234 AromaticContact CE2-CG 3.68Å; F204-F234 HydrophobicContact CE2-CG 3.68Å; F204-F234 HydrophobicContact CE2-CZ 4.13Å; F204-F234 HydrophobicContact CZ-CB 4.05Å; F204-F234 AromaticContact CZ-CD2 3.71Å; F204-F234 HydrophobicContact CZ-CD2 3.71Å; F204-F234 HydrophobicContact CZ-CE2 4.28Å; F204-F234 AromaticContact CZ-CG 3.97Å; F204-F234 HydrophobicContact CZ-CG 3.97Å; F204-W237 HydrophobicContact CB-CH2 4.41Å; F204-W237 HydrophobicContact CB-CZ3 4.49Å; F204-W237 AromaticContact CD2-CH2 3.4Å; F204-W237 HydrophobicContact CD2-CH2 3.4Å; F204-W237 VanDerWaalsContact CD2-CH2 3.4Å; F204-W237 HydrophobicContact CD2-CZ2 4.14Å; F204-W237 HydrophobicContact CD2-CZ3 4.11Å; F204-W237 AromaticContact CE2-CH2 3.89Å; F204-W237 HydrophobicContact CE2-CH2 3.89Å; F204-W237 HydrophobicContact CE2-CZ2 4.2Å; F204-W237 HydrophobicContact CG-CH2 4.02Å; F204-W237 HydrophobicContact CG-CZ3 4.28Å; F204-I238 HydrophobicContact CD1-CB 4.33Å; F204-I238 HydrophobicContact CD1-CG2 3.8Å; F204-I238 HydrophobicContact CD2-CG2 4.12Å; F204-I238 HydrophobicContact CE1-CB 3.88Å; F204-I238 HydrophobicContact CE1-CD1 4.27Å; F204-I238 HydrophobicContact CE1-CG2 3.29Å; F204-I238 HydrophobicContact CE2-CG2 3.65Å; F204-I238 HydrophobicContact CG-CG2 4.2Å; F204-I238 HydrophobicContact CZ-CB 4.25Å; F204-I238 HydrophobicContact CZ-CD1 4.4Å; F204-I238 HydrophobicContact CZ-CG2 3.23Å; F204-Y242 AromaticContact CD1-CD2 3.88Å; F204-Y242 HydrophobicContact CD1-CD2 3.88Å; F204-Y242 HydrophobicContact CD1-CE1 4.46Å; F204-Y242 AromaticContact CD1-CE2 3.77Å; F204-Y242 HydrophobicContact CD1-CE2 3.77Å; F204-Y242 HydrophobicContact CD1-CG 4.29Å; F204-Y242 HydrophobicContact CE1-CD2 4.11Å; F204-Y242 HydrophobicContact CE1-CE2 4.44Å; F204-Y242 HydrophobicContact CE1-CG 4.17Å |
| 205 | S | 94.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.1 | -39.3 | 179.3 | 61.4 | 0 | 0 | 0 | 0 | 113 | Q203 Q209 Y242 | Q203-S205 PolarHBondContact O-N 3.4Å; S205-Q209 WeakPolarHBondContact O-CB 3.44Å; S205-Q209 VanDerWaalsContact O-CG 3.22Å; S205-Q209 WeakPolarHBondContact O-CG 3.31Å; S205-Q209 PolarHBondContact O-N 3.44Å; S205-Y242 WeakPolarHBondContact CB-OH 3.33Å |
| 206 | L | 94.8 | Very high | 93.9 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.7 | -40 | 177.3 | -66.1 | 174.9 | 0 | 0 | 0 | 112 | I152 V156 Q203 F204 L210 | I152-L206 HydrophobicContact CG2-CB 4.27Å; I152-L206 HydrophobicContact CG2-CD1 4.41Å; V156-L206 HydrophobicContact CG2-CB 4.3Å; Q203-L206 PolarHBondContact O-N 3.02Å; F204-L206 PolarHBondContact O-N 2.92Å; L206-L210 PolarHBondContact O-N 2.99Å; L206-L210 VanDerWaalsContact O-N 3.13Å |
| 207 | I | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 177.6 | -60.7 | 170 | 0 | 0 | 0 | 109.8 | I152 L173 M200 F204 L210 C211 F234 | I152-I207 HydrophobicContact CD1-CD1 4.05Å; I152-I207 HydrophobicContact CG2-CD1 4.22Å; I152-I207 HydrophobicContact CG2-CG1 3.81Å; L173-I207 HydrophobicContact CD1-CG2 4.09Å; L173-I207 HydrophobicContact CD2-CD1 4.03Å; L173-I207 HydrophobicContact CD2-CG1 4.24Å; M200-I207 HydrophobicContact CE-CD1 4.42Å; F204-I207 HydrophobicContact CD2-CB 4.12Å; F204-I207 HydrophobicContact CD2-CD1 4.21Å; F204-I207 HydrophobicContact CD2-CG2 4.34Å; F204-I207 HydrophobicContact CE2-CB 4.26Å; F204-I207 HydrophobicContact CE2-CG2 4.03Å; F204-I207 WeakPolarHBondContact O-CB 3.31Å; F204-I207 PolarHBondContact O-N 2.7Å; I207-L210 WeakPolarHBondContact O-CB 3.49Å; I207-L210 PolarHBondContact O-N 3.38Å; I207-C211 PolarHBondContact O-N 3.46Å; I207-C211 PolarHBondContact O-SG 2.93Å; I207-F234 HydrophobicContact CG2-CE2 3.46Å; I207-F234 VanDerWaalsContact CG2-CE2 3.46Å; I207-F234 HydrophobicContact CG2-CZ 3.6Å |
| 208 | F | 96 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 178.8 | -171.8 | -96.6 | 0 | 0 | 0 | 111.8 | F204 L210 C211 Q212 Y242 T246 L248 | F204-F208 HydrophobicContact CD1-CB 4.17Å; F204-F208 HydrophobicContact CE1-CB 3.77Å; F204-F208 AromaticContact CE1-CD2 3.85Å; F204-F208 HydrophobicContact CE1-CD2 3.85Å; F204-F208 HydrophobicContact CE1-CG 4.19Å; F204-F208 HydrophobicContact CZ-CB 4.23Å; F204-F208 HydrophobicContact CZ-CD2 4.21Å; F204-F208 PolarHBondContact O-N 2.76Å; F208-L210 VanDerWaalsContact C-N 3.27Å; F208-L210 PolarHBondContact O-N 2.66Å; F208-C211 WeakPolarHBondContact O-CB 3.47Å; F208-C211 PolarHBondContact O-N 3.15Å; F208-C211 VanDerWaalsContact O-N 3.14Å; F208-Q212 WeakPolarHBondContact O-CB 3.5Å; F208-Q212 PolarHBondContact O-N 3.26Å; F208-Y242 HydrophobicContact CB-CD1 4.03Å; F208-Y242 HydrophobicContact CB-CE1 4.15Å; F208-Y242 AromaticContact CD1-CD1 3.58Å; F208-Y242 HydrophobicContact CD1-CD1 3.58Å; F208-Y242 HydrophobicContact CD1-CE1 4.17Å; F208-Y242 HydrophobicContact CD2-CD1 4.02Å; F208-Y242 HydrophobicContact CD2-CG 4.28Å; F208-Y242 HydrophobicContact CE1-CD1 4.01Å; F208-Y242 HydrophobicContact CE2-CD1 4.4Å; F208-Y242 AromaticContact CG-CD1 3.58Å; F208-Y242 HydrophobicContact CG-CD1 3.58Å; F208-Y242 HydrophobicContact CG-CE1 4.16Å; F208-Y242 HydrophobicContact CG-CG 4.28Å; F208-Y242 HydrophobicContact CZ-CD1 4.4Å; F208-Y242 VanDerWaalsContact CZ-O 3.26Å; F208-Y242 WeakPolarHBondContact CZ-O 3.26Å; F208-T246 HydrophobicContact CE1-CG2 3.95Å; F208-T246 HydrophobicContact CZ-CG2 4.1Å; F208-L248 HydrophobicContact CE2-CD2 4.07Å; F208-L248 HydrophobicContact CZ-CD2 4.35Å |
| 209 | Q | 95.1 | Very high | 94.1 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 174.1 | -75.7 | 171.9 | 13.1 | 0 | 0 | 112.3 | S205 Y213 | S205-Q209 WeakPolarHBondContact O-CB 3.44Å; S205-Q209 VanDerWaalsContact O-CG 3.22Å; S205-Q209 WeakPolarHBondContact O-CG 3.31Å; S205-Q209 PolarHBondContact O-N 3.44Å; Q209-Y213 VanDerWaalsContact O-CB 3.28Å; Q209-Y213 WeakPolarHBondContact O-CB 3.22Å; Q209-Y213 PolarHBondContact O-N 3.23Å |
| 210 | L | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 174 | 178.6 | 67 | 0 | 0 | 0 | 111.3 | V156 M170 L206 I207 F208 Q212 Y213 V214 | V156-L210 HydrophobicContact CG1-CB 4.33Å; V156-L210 HydrophobicContact CG2-CB 4.42Å; V156-L210 HydrophobicContact CG2-CD2 4.21Å; M170-L210 HydrophobicContact CE-CD2 3.78Å; M170-L210 HydrophobicContact CE-CG 3.67Å; L206-L210 PolarHBondContact O-N 2.99Å; L206-L210 VanDerWaalsContact O-N 3.13Å; I207-L210 WeakPolarHBondContact O-CB 3.49Å; I207-L210 PolarHBondContact O-N 3.38Å; F208-L210 VanDerWaalsContact C-N 3.27Å; F208-L210 PolarHBondContact O-N 2.66Å; L210-Q212 PolarHBondContact O-N 2.9Å; L210-Y213 PolarHBondContact O-N 3.48Å; L210-V214 HydrophobicContact CD1-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.48Å; L210-V214 PolarHBondContact O-N 2.86Å |
| 211 | C | 96.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 177.2 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | I207 F208 Y213 V214 L215 T227 | I207-C211 PolarHBondContact O-N 3.46Å; I207-C211 PolarHBondContact O-SG 2.93Å; F208-C211 WeakPolarHBondContact O-CB 3.47Å; F208-C211 PolarHBondContact O-N 3.15Å; F208-C211 VanDerWaalsContact O-N 3.14Å; C211-Y213 PolarHBondContact O-N 2.86Å; C211-V214 PolarHBondContact O-N 3.44Å; C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 WeakPolarHBondContact O-CG 3.4Å; C211-L215 PolarHBondContact O-N 2.86Å; C211-T227 HydrophobicContact CB-CG2 4.07Å |
| 212 | Q | 94.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -45 | 177.5 | -172.7 | 177.3 | -7.9 | 0 | 0 | 111.5 | F208 L210 V214 L215 E216 | F208-Q212 WeakPolarHBondContact O-CB 3.5Å; F208-Q212 PolarHBondContact O-N 3.26Å; L210-Q212 PolarHBondContact O-N 2.9Å; Q212-V214 PolarHBondContact O-N 2.93Å; Q212-L215 PolarHBondContact O-N 3.41Å; Q212-E216 HydrophobicContact CG-CG 4.26Å; Q212-E216 VanDerWaalsContact CG-OE1 3.26Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.44Å; Q212-E216 PolarHBondContact NE2-OE1 2.86Å; Q212-E216 VanDerWaalsContact O-CB 3.31Å; Q212-E216 WeakPolarHBondContact O-CB 3.46Å; Q212-E216 WeakPolarHBondContact O-CG 3.27Å; Q212-E216 PolarHBondContact O-N 2.95Å |
| 213 | Y | 94.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 47.2 Ų | 47.2 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 176.2 | 175 | -101.9 | 0 | 0 | 0 | 112.2 | Q209 L210 C211 N217 | Q209-Y213 VanDerWaalsContact O-CB 3.28Å; Q209-Y213 WeakPolarHBondContact O-CB 3.22Å; Q209-Y213 PolarHBondContact O-N 3.23Å; L210-Y213 PolarHBondContact O-N 3.48Å; C211-Y213 PolarHBondContact O-N 2.86Å; Y213-N217 WeakPolarHBondContact CD2-ND2 3.34Å; Y213-N217 HydrophobicContact CE2-CB 4.37Å; Y213-N217 VanDerWaalsContact O-CB 3.29Å; Y213-N217 WeakPolarHBondContact O-CB 3.22Å; Y213-N217 PolarHBondContact O-N 3.24Å; Y213-N217 PolarHBondContact O-ND2 3.34Å |
| 214 | V | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -47.5 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | M170 L210 C211 Q212 E216 N217 S218 L223 T227 | M170-V214 HydrophobicContact CE-CB 4.42Å; M170-V214 HydrophobicContact CE-CG2 3.93Å; L210-V214 HydrophobicContact CD1-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.48Å; L210-V214 PolarHBondContact O-N 2.86Å; C211-V214 PolarHBondContact O-N 3.44Å; Q212-V214 PolarHBondContact O-N 2.93Å; V214-E216 VanDerWaalsContact C-N 3.29Å; V214-E216 PolarHBondContact O-N 3.27Å; V214-N217 PolarHBondContact O-N 2.84Å; V214-S218 WeakPolarHBondContact O-CB 3.34Å; V214-S218 PolarHBondContact O-N 3.14Å; V214-L223 HydrophobicContact CG1-CD1 4.02Å; V214-L223 HydrophobicContact CG1-CD2 3.99Å; V214-L223 HydrophobicContact CG1-CG 3.64Å; V214-T227 HydrophobicContact CB-CG2 4.29Å; V214-T227 HydrophobicContact CG1-CG2 4.22Å; V214-T227 VanDerWaalsContact CG1-OG1 3.31Å; V214-T227 WeakPolarHBondContact CG1-OG1 3.46Å |
| 215 | L | 95.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -32.7 | -179.6 | -68 | 178.6 | 0 | 0 | 0 | 112.2 | C211 Q212 V224 T227 L228 L231 L248 K255 F256 | C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 WeakPolarHBondContact O-CG 3.4Å; C211-L215 PolarHBondContact O-N 2.86Å; Q212-L215 PolarHBondContact O-N 3.41Å; L215-V224 HydrophobicContact CD2-CG1 4.44Å; L215-T227 HydrophobicContact CD2-CG2 3.94Å; L215-T227 HydrophobicContact CG-CG2 3.94Å; L215-L228 HydrophobicContact CD1-CD2 4.46Å; L215-L228 HydrophobicContact CD2-CD2 3.7Å; L215-L228 HydrophobicContact CD2-CG 3.92Å; L215-L231 HydrophobicContact CD1-CD2 4.27Å; L215-L248 HydrophobicContact CD1-CD1 4.36Å; L215-K255 WeakPolarHBondContact O-CE 3.39Å; L215-K255 PolarHBondContact O-NZ 2.99Å; L215-F256 HydrophobicContact CB-CE2 3.97Å; L215-F256 HydrophobicContact CB-CZ 3.97Å; L215-F256 HydrophobicContact CD2-CE2 3.68Å; L215-F256 HydrophobicContact CD2-CZ 3.69Å; L215-F256 HydrophobicContact CG-CE2 4.24Å; L215-F256 HydrophobicContact CG-CZ 4.4Å; L215-F256 VanDerWaalsContact O-CZ 3.3Å; L215-F256 WeakPolarHBondContact O-CZ 3.47Å |
| 216 | E | 93.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -81.7 | -37.7 | 178.4 | -73.3 | 176 | -179.5 | 0 | 0 | 112.8 | Q212 V214 K255 | Q212-E216 HydrophobicContact CG-CG 4.26Å; Q212-E216 VanDerWaalsContact CG-OE1 3.26Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.44Å; Q212-E216 PolarHBondContact NE2-OE1 2.86Å; Q212-E216 VanDerWaalsContact O-CB 3.31Å; Q212-E216 WeakPolarHBondContact O-CB 3.46Å; Q212-E216 WeakPolarHBondContact O-CG 3.27Å; Q212-E216 PolarHBondContact O-N 2.95Å; V214-E216 VanDerWaalsContact C-N 3.29Å; V214-E216 PolarHBondContact O-N 3.27Å; E216-K255 VanDerWaalsContact C-NZ 3.28Å; E216-K255 PolarHBondContact O-NZ 3.19Å |
| 217 | N | 93.6 | Very high | 95 | Very high | 93 Ų | 93 | 42 Ų | 42 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -114.2 | -27.6 | -164 | -58.4 | -80 | 0 | 0 | 0 | 115.8 | Y213 V214 | Y213-N217 WeakPolarHBondContact CD2-ND2 3.34Å; Y213-N217 HydrophobicContact CE2-CB 4.37Å; Y213-N217 VanDerWaalsContact O-CB 3.29Å; Y213-N217 WeakPolarHBondContact O-CB 3.22Å; Y213-N217 PolarHBondContact O-N 3.24Å; Y213-N217 PolarHBondContact O-ND2 3.34Å; V214-N217 PolarHBondContact O-N 2.84Å |
| 218 | S | 93.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | trans | -77.3 | 144.5 | -174.7 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | E163 V214 N220 | E163-S218 PolarHBondContact OE1-OG 3.01Å; V214-S218 WeakPolarHBondContact O-CB 3.34Å; V214-S218 PolarHBondContact O-N 3.14Å; S218-N220 PolarHBondContact OG-N 2.95Å; S218-N220 VanDerWaalsContact OG-N 3.12Å | ||
| 219 | Q | 92.7 | Very high | 95.2 | Very high | 190 Ų | 190 | 44.9 Ų | 44.9 | 89% | 0.888 | 23% | 0.227 | S | C | * | . | trans | -104.2 | -2.3 | 170.5 | -62.6 | -175.5 | 5.7 | 0 | 0 | 112 | A221 | Q219-A221 PolarHBondContact O-N 2.76Š| ||
| 220 | N | 93.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | trans | -79.4 | 108.5 | -179.5 | -176.8 | -22.6 | 0 | 0 | 0 | 110.5 | E163 S218 S222 L223 V224 | E163-N220 VanDerWaalsContact OE2-CB 3.26Å; E163-N220 WeakPolarHBondContact OE2-CB 3.43Å; S218-N220 PolarHBondContact OG-N 2.95Å; S218-N220 VanDerWaalsContact OG-N 3.12Å; N220-S222 PolarHBondContact O-N 3.39Å; N220-S222 PolarHBondContact OD1-N 3.1Å; N220-S222 PolarHBondContact OD1-OG 3.01Å; N220-L223 HydrophobicContact CB-CB 3.99Å; N220-L223 PolarHBondContact O-N 3.19Å; N220-L223 PolarHBondContact OD1-N 3.28Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.85Å | ||
| 221 | A | 94.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q219 V224 V225 L261 F262 | Q219-A221 PolarHBondContact O-N 2.76Å; A221-V224 PolarHBondContact O-N 3.36Å; A221-V225 WeakPolarHBondContact O-CG2 3.42Å; A221-V225 PolarHBondContact O-N 2.91Å; A221-L261 HydrophobicContact CB-CD2 3.63Å; A221-F262 HydrophobicContact CB-CE1 4.34Å; A221-F262 HydrophobicContact CB-CZ 4.19Å |
| 222 | S | 93.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 40 Ų | 40 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.7 | -36.5 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | Q167 N220 S226 | Q167-S222 PolarHBondContact OE1-OG 2.83Å; N220-S222 PolarHBondContact O-N 3.39Å; N220-S222 PolarHBondContact OD1-N 3.1Å; N220-S222 PolarHBondContact OD1-OG 3.01Å; S222-S226 WeakPolarHBondContact O-CB 3.37Å; S222-S226 PolarHBondContact O-N 3.01Å; S222-S226 PolarHBondContact O-OG 3Å |
| 223 | L | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 173 | 171.4 | 56.9 | 0 | 0 | 0 | 111.5 | E163 C166 Q167 M170 V214 N220 S226 T227 | E163-L223 HydrophobicContact CB-CD2 4.03Å; E163-L223 HydrophobicContact CG-CD2 4.1Å; C166-L223 HydrophobicContact CB-CD1 4.02Å; C166-L223 HydrophobicContact CB-CD2 4.23Å; Q167-L223 HydrophobicContact CB-CB 4.32Å; Q167-L223 HydrophobicContact CB-CD1 4.08Å; M170-L223 HydrophobicContact CG-CD1 4.28Å; V214-L223 HydrophobicContact CG1-CD1 4.02Å; V214-L223 HydrophobicContact CG1-CD2 3.99Å; V214-L223 HydrophobicContact CG1-CG 3.64Å; N220-L223 HydrophobicContact CB-CB 3.99Å; N220-L223 PolarHBondContact O-N 3.19Å; N220-L223 PolarHBondContact OD1-N 3.28Å; L223-S226 PolarHBondContact O-N 3.49Å; L223-T227 WeakPolarHBondContact O-CB 3.35Å; L223-T227 PolarHBondContact O-N 2.93Å; L223-T227 PolarHBondContact O-OG1 3.34Å |
| 224 | V | 97.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 176 | 172 | 0 | 0 | 0 | 0 | 111.4 | L215 N220 A221 S226 T227 L228 F256 F262 | L215-V224 HydrophobicContact CD2-CG1 4.44Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.85Å; A221-V224 PolarHBondContact O-N 3.36Å; V224-S226 PolarHBondContact O-N 3.02Å; V224-T227 PolarHBondContact O-N 3.32Å; V224-L228 HydrophobicContact CG1-CD1 4.02Å; V224-L228 HydrophobicContact CG1-CG 4.45Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 3.18Å; V224-F256 HydrophobicContact CG1-CD1 4.05Å; V224-F256 HydrophobicContact CG1-CE1 3.52Å; V224-F256 HydrophobicContact CG1-CZ 4.07Å; V224-F262 HydrophobicContact CB-CE1 4.04Å; V224-F262 HydrophobicContact CB-CZ 4.1Å; V224-F262 HydrophobicContact CG1-CD1 4.08Å; V224-F262 HydrophobicContact CG1-CD2 4.47Å; V224-F262 HydrophobicContact CG1-CE1 3.75Å; V224-F262 HydrophobicContact CG1-CE2 4.17Å; V224-F262 HydrophobicContact CG1-CG 4.44Å; V224-F262 HydrophobicContact CG1-CZ 3.81Å |
| 225 | V | 96 | Very high | 95 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -51 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | A221 T227 L228 E229 L261 F262 | A221-V225 WeakPolarHBondContact O-CG2 3.42Å; A221-V225 PolarHBondContact O-N 2.91Å; V225-T227 PolarHBondContact O-N 3.48Å; V225-L228 PolarHBondContact O-N 3.37Å; V225-L228 VanDerWaalsContact O-N 3.15Å; V225-E229 HydrophobicContact CG1-CG 4.25Å; V225-E229 WeakPolarHBondContact O-CG 3.42Å; V225-E229 PolarHBondContact O-N 2.92Å; V225-L261 HydrophobicContact CG2-CG 4.35Å; V225-F262 HydrophobicContact CG2-CD1 3.7Å; V225-F262 HydrophobicContact CG2-CE1 3.74Å |
| 226 | S | 95.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | Q167 S222 L223 V224 E229 T230 | Q167-S226 WeakPolarHBondContact CG-OG 3.4Å; S222-S226 WeakPolarHBondContact O-CB 3.37Å; S222-S226 PolarHBondContact O-N 3.01Å; S222-S226 PolarHBondContact O-OG 3Å; L223-S226 PolarHBondContact O-N 3.49Å; V224-S226 PolarHBondContact O-N 3.02Å; S226-E229 PolarHBondContact O-N 3.46Å; S226-T230 WeakPolarHBondContact O-CB 3.5Å; S226-T230 PolarHBondContact O-N 3.36Å; S226-T230 PolarHBondContact O-OG1 3.15Å |
| 227 | T | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | M170 C211 V214 L215 L223 V224 V225 T230 L231 | M170-T227 HydrophobicContact CE-CG2 3.83Å; M170-T227 HydrophobicContact SD-CG2 4.17Å; C211-T227 HydrophobicContact CB-CG2 4.07Å; V214-T227 HydrophobicContact CB-CG2 4.29Å; V214-T227 HydrophobicContact CG1-CG2 4.22Å; V214-T227 VanDerWaalsContact CG1-OG1 3.31Å; V214-T227 WeakPolarHBondContact CG1-OG1 3.46Å; L215-T227 HydrophobicContact CD2-CG2 3.94Å; L215-T227 HydrophobicContact CG-CG2 3.94Å; L223-T227 WeakPolarHBondContact O-CB 3.35Å; L223-T227 PolarHBondContact O-N 2.93Å; L223-T227 PolarHBondContact O-OG1 3.34Å; V224-T227 PolarHBondContact O-N 3.32Å; V225-T227 PolarHBondContact O-N 3.48Å; T227-T230 PolarHBondContact O-N 2.95Å; T227-L231 VanDerWaalsContact O-CB 3.31Å; T227-L231 WeakPolarHBondContact O-CB 3.26Å; T227-L231 PolarHBondContact O-N 2.91Å |
| 228 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.1 | -70.4 | 171.5 | 0 | 0 | 0 | 111.9 | L215 V224 V225 L231 L232 L252 F256 F262 V265 | L215-L228 HydrophobicContact CD1-CD2 4.46Å; L215-L228 HydrophobicContact CD2-CD2 3.7Å; L215-L228 HydrophobicContact CD2-CG 3.92Å; V224-L228 HydrophobicContact CG1-CD1 4.02Å; V224-L228 HydrophobicContact CG1-CG 4.45Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 3.18Å; V225-L228 PolarHBondContact O-N 3.37Å; V225-L228 VanDerWaalsContact O-N 3.15Å; L228-L231 PolarHBondContact O-N 3.33Å; L228-L232 PolarHBondContact O-N 3.22Å; L228-L252 HydrophobicContact CD2-CD2 3.62Å; L228-F256 HydrophobicContact CD1-CB 4.42Å; L228-F256 HydrophobicContact CD1-CD1 4.48Å; L228-F256 HydrophobicContact CD1-CG 4.26Å; L228-F256 HydrophobicContact CD2-CD2 4.2Å; L228-F256 HydrophobicContact CD2-CE2 4.44Å; L228-F262 HydrophobicContact CD1-CB 3.97Å; L228-F262 HydrophobicContact CD1-CD1 4.37Å; L228-F262 HydrophobicContact CD1-CG 4.28Å; L228-V265 HydrophobicContact CB-CB 4.39Å; L228-V265 HydrophobicContact CB-CG1 3.65Å; L228-V265 HydrophobicContact CB-CG2 3.8Å; L228-V265 HydrophobicContact CD1-CG1 3.77Å; L228-V265 HydrophobicContact CG-CG1 4.34Å |
| 229 | E | 97 | Very high | 94.4 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 175 | -69.4 | -178.9 | 161.2 | 0 | 0 | 112.1 | R174 V225 S226 V265 | R174-E229 IonicContact CZ-OE2 3.84Å; R174-E229 IonicContact NH1-OE2 3.45Å; R174-E229 PolarHBondContact NH1-OE2 2.94Å; V225-E229 HydrophobicContact CG1-CG 4.25Å; V225-E229 WeakPolarHBondContact O-CG 3.42Å; V225-E229 PolarHBondContact O-N 2.92Å; S226-E229 PolarHBondContact O-N 3.46Å; E229-V265 HydrophobicContact CG-CG2 3.91Å |
| 230 | T | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | M170 L173 R174 S226 T227 L232 R233 F234 | M170-T230 PolarHBondContact O-OG1 3.32Å; L173-T230 HydrophobicContact CB-CG2 4.2Å; R174-T230 HydrophobicContact CB-CG2 4.05Å; S226-T230 WeakPolarHBondContact O-CB 3.5Å; S226-T230 PolarHBondContact O-N 3.36Å; S226-T230 PolarHBondContact O-OG1 3.15Å; T227-T230 PolarHBondContact O-N 2.95Å; T230-L232 VanDerWaalsContact C-N 3.29Å; T230-L232 PolarHBondContact O-N 3.44Å; T230-R233 PolarHBondContact O-N 3.25Å; T230-R233 VanDerWaalsContact O-N 3.13Å; T230-F234 HydrophobicContact CG2-CD2 4.18Å; T230-F234 HydrophobicContact CG2-CE1 4.11Å; T230-F234 HydrophobicContact CG2-CE2 3.45Å; T230-F234 VanDerWaalsContact CG2-CE2 3.45Å; T230-F234 HydrophobicContact CG2-CZ 3.4Å; T230-F234 VanDerWaalsContact CG2-CZ 3.4Å; T230-F234 WeakPolarHBondContact O-CG 3.39Å; T230-F234 PolarHBondContact O-N 3.18Å |
| 231 | L | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.6 | -177 | 69.3 | 0 | 0 | 0 | 111.8 | L215 T227 L228 R233 F234 M235 L248 L252 | L215-L231 HydrophobicContact CD1-CD2 4.27Å; T227-L231 VanDerWaalsContact O-CB 3.31Å; T227-L231 WeakPolarHBondContact O-CB 3.26Å; T227-L231 PolarHBondContact O-N 2.91Å; L228-L231 PolarHBondContact O-N 3.33Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.24Å; L231-F234 WeakPolarHBondContact O-CB 3.39Å; L231-F234 PolarHBondContact O-N 3.42Å; L231-M235 HydrophobicContact CD1-CE 3.87Å; L231-M235 HydrophobicContact CD2-CE 3.78Å; L231-M235 HydrophobicContact CG-CE 3.62Å; L231-M235 WeakPolarHBondContact O-CG 3.26Å; L231-M235 PolarHBondContact O-N 2.92Å; L231-L248 HydrophobicContact CD1-CD2 4.36Å; L231-L248 HydrophobicContact CD2-CD1 3.81Å; L231-L248 HydrophobicContact CD2-CD2 4.35Å; L231-L252 HydrophobicContact CD2-CD2 4.29Å |
| 232 | L | 96.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.1 | -42.2 | 175.9 | 177.7 | 61.8 | 0 | 0 | 0 | 112 | L228 T230 M235 K268 E272 | L228-L232 PolarHBondContact O-N 3.22Å; T230-L232 VanDerWaalsContact C-N 3.29Å; T230-L232 PolarHBondContact O-N 3.44Å; L232-M235 PolarHBondContact O-N 3.03Å; L232-K268 HydrophobicContact CD1-CB 3.86Å; L232-K268 HydrophobicContact CD2-CB 4.03Å; L232-K268 HydrophobicContact CD2-CD 4.18Å; L232-E272 HydrophobicContact CD1-CG 3.69Å |
| 233 | R | 94.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 26 Ų | 26 | 29% | 0.291 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -71.5 | -30.7 | 177.4 | -64.6 | -60.7 | 179.3 | -116.4 | 0.9 | 113.3 | R174 E178 T230 L231 M235 | R174-R233 HydrophobicContact CG-CB 4.28Å; R174-R233 HydrophobicContact CG-CG 3.68Å; E178-R233 HydrophobicContact CG-CG 4.01Å; E178-R233 WeakPolarHBondContact OE1-CD 3.4Å; E178-R233 IonicContact OE1-CZ 2.66Å; E178-R233 IonicContact OE1-NE 3.74Å; E178-R233 PolarHBondContact OE1-NE 3.25Å; E178-R233 IonicContact OE1-NH2 2.64Å; T230-R233 PolarHBondContact O-N 3.25Å; T230-R233 VanDerWaalsContact O-N 3.13Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.24Å; R233-M235 VanDerWaalsContact C-N 3.35Å |
| 234 | F | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.2 | -32.8 | 175.3 | -64.6 | -24.2 | 0 | 0 | 0 | 112.6 | L173 M200 F204 I207 T230 L231 H236 W237 I238 | L173-F234 HydrophobicContact CB-CZ 4.18Å; M200-F234 HydrophobicContact CE-CD1 4.46Å; M200-F234 HydrophobicContact CE-CE1 3.66Å; M200-F234 HydrophobicContact CE-CZ 4.38Å; F204-F234 HydrophobicContact CE2-CB 4.17Å; F204-F234 HydrophobicContact CE2-CD1 4.06Å; F204-F234 AromaticContact CE2-CD2 3.54Å; F204-F234 HydrophobicContact CE2-CD2 3.54Å; F204-F234 HydrophobicContact CE2-CE1 4.27Å; F204-F234 AromaticContact CE2-CE2 3.77Å; F204-F234 HydrophobicContact CE2-CE2 3.77Å; F204-F234 AromaticContact CE2-CG 3.68Å; F204-F234 HydrophobicContact CE2-CG 3.68Å; F204-F234 HydrophobicContact CE2-CZ 4.13Å; F204-F234 HydrophobicContact CZ-CB 4.05Å; F204-F234 AromaticContact CZ-CD2 3.71Å; F204-F234 HydrophobicContact CZ-CD2 3.71Å; F204-F234 HydrophobicContact CZ-CE2 4.28Å; F204-F234 AromaticContact CZ-CG 3.97Å; F204-F234 HydrophobicContact CZ-CG 3.97Å; I207-F234 HydrophobicContact CG2-CE2 3.46Å; I207-F234 VanDerWaalsContact CG2-CE2 3.46Å; I207-F234 HydrophobicContact CG2-CZ 3.6Å; T230-F234 HydrophobicContact CG2-CD2 4.18Å; T230-F234 HydrophobicContact CG2-CE1 4.11Å; T230-F234 HydrophobicContact CG2-CE2 3.45Å; T230-F234 VanDerWaalsContact CG2-CE2 3.45Å; T230-F234 HydrophobicContact CG2-CZ 3.4Å; T230-F234 VanDerWaalsContact CG2-CZ 3.4Å; T230-F234 WeakPolarHBondContact O-CG 3.39Å; T230-F234 PolarHBondContact O-N 3.18Å; L231-F234 WeakPolarHBondContact O-CB 3.39Å; L231-F234 PolarHBondContact O-N 3.42Å; F234-H236 PolarHBondContact O-N 3.33Å; F234-W237 AromaticContact CD1-CZ2 3.61Å; F234-W237 HydrophobicContact CD1-CZ2 3.61Å; F234-W237 HydrophobicContact CE1-CZ2 4.07Å; F234-W237 HydrophobicContact CG-CZ2 4.39Å; F234-W237 PolarHBondContact O-N 2.91Å; F234-I238 HydrophobicContact CB-CD1 4.45Å; F234-I238 HydrophobicContact CB-CG2 3.75Å; F234-I238 WeakPolarHBondContact O-CG1 3.49Å; F234-I238 VanDerWaalsContact O-CG2 3.24Å; F234-I238 WeakPolarHBondContact O-CG2 3.48Å; F234-I238 PolarHBondContact O-N 3.47Å |
| 235 | M | 91.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.069 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -27.5 | -178.5 | -69.3 | -64.5 | 172.7 | 0 | 0 | 113.9 | L231 L232 R233 W237 I238 I243 L248 E272 I273 | L231-M235 HydrophobicContact CD1-CE 3.87Å; L231-M235 HydrophobicContact CD2-CE 3.78Å; L231-M235 HydrophobicContact CG-CE 3.62Å; L231-M235 WeakPolarHBondContact O-CG 3.26Å; L231-M235 PolarHBondContact O-N 2.92Å; L232-M235 PolarHBondContact O-N 3.03Å; R233-M235 VanDerWaalsContact C-N 3.35Å; M235-W237 VanDerWaalsContact C-N 3.29Å; M235-W237 PolarHBondContact O-N 3Å; M235-I238 HydrophobicContact SD-CD1 4.25Å; M235-I243 HydrophobicContact SD-CD1 3.64Å; M235-I243 HydrophobicContact SD-CG1 3.85Å; M235-L248 HydrophobicContact CE-CD2 3.54Å; M235-L248 HydrophobicContact CE-CG 4.47Å; M235-E272 HydrophobicContact CB-CB 3.88Å; M235-E272 HydrophobicContact CB-CG 4.4Å; M235-E272 HydrophobicContact CG-CB 4.39Å; M235-I273 HydrophobicContact CE-CD1 3.87Å; M235-I273 HydrophobicContact CE-CG1 4.14Å; M235-I273 HydrophobicContact SD-CD1 4.15Å; M235-I273 HydrophobicContact SD-CG1 3.73Å |
| 236 | H | 86.4 | Confident | 94.4 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 39% | 0.394 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.2 | -179.4 | -57.7 | 159.4 | 0 | 0 | 0 | 114.5 | D182 F234 E272 | D182-H236 IonicContact OD1-ND1 2.99Å; F234-H236 PolarHBondContact O-N 3.33Å; H236-E272 IonicContact CD2-OE2 3.91Å; H236-E272 IonicContact NE2-OE2 2.95Å |
| 237 | W | 91 | Very high | 94.4 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | -12.8 | -168.5 | 63.5 | -97.8 | 0 | 0 | 0 | 115.7 | S177 F181 M200 F204 F234 M235 | S177-W237 PolarHBondContact OG-NE1 3.42Å; F181-W237 HydrophobicContact CB-CG 4.37Å; F181-W237 HydrophobicContact CD1-CB 3.39Å; F181-W237 AromaticContact CD1-CD1 3.67Å; F181-W237 AromaticContact CD1-CD2 3.9Å; F181-W237 HydrophobicContact CD1-CD2 3.9Å; F181-W237 AromaticContact CD1-CG 3.35Å; F181-W237 HydrophobicContact CD1-CG 3.35Å; F181-W237 AromaticContact CD2-CD1 3.67Å; F181-W237 AromaticContact CD2-CD2 3.9Å; F181-W237 HydrophobicContact CD2-CD2 3.9Å; F181-W237 AromaticContact CD2-CE2 3.66Å; F181-W237 AromaticContact CD2-CG 3.91Å; F181-W237 HydrophobicContact CD2-CG 3.91Å; F181-W237 HydrophobicContact CD2-CZ2 4.26Å; F181-W237 AromaticContact CD2-NE1 3.49Å; F181-W237 HydrophobicContact CE1-CB 3.49Å; F181-W237 VanDerWaalsContact CE1-CB 3.49Å; F181-W237 AromaticContact CE1-CD2 3.52Å; F181-W237 HydrophobicContact CE1-CD2 3.52Å; F181-W237 AromaticContact CE1-CE3 3.73Å; F181-W237 HydrophobicContact CE1-CE3 3.73Å; F181-W237 AromaticContact CE1-CG 3.42Å; F181-W237 HydrophobicContact CE1-CG 3.42Å; F181-W237 VanDerWaalsContact CE1-CG 3.42Å; F181-W237 AromaticContact CE2-CD2 3.52Å; F181-W237 HydrophobicContact CE2-CD2 3.52Å; F181-W237 AromaticContact CE2-CE2 3.44Å; F181-W237 VanDerWaalsContact CE2-CE2 3.44Å; F181-W237 AromaticContact CE2-CE3 3.88Å; F181-W237 HydrophobicContact CE2-CE3 3.88Å; F181-W237 AromaticContact CE2-CG 3.98Å; F181-W237 HydrophobicContact CE2-CG 3.98Å; F181-W237 HydrophobicContact CE2-CH2 4.1Å; F181-W237 AromaticContact CE2-CZ2 3.76Å; F181-W237 HydrophobicContact CE2-CZ2 3.76Å; F181-W237 HydrophobicContact CE2-CZ3 4.16Å; F181-W237 AromaticContact CE2-NE1 3.8Å; F181-W237 HydrophobicContact CG-CB 4.1Å; F181-W237 AromaticContact CG-CD1 3.42Å; F181-W237 VanDerWaalsContact CG-CD1 3.42Å; F181-W237 HydrophobicContact CG-CD2 4.08Å; F181-W237 AromaticContact CG-CG 3.61Å; F181-W237 HydrophobicContact CG-CG 3.61Å; F181-W237 AromaticContact CG-NE1 3.76Å; F181-W237 HydrophobicContact CZ-CB 4.27Å; F181-W237 AromaticContact CZ-CD2 3.31Å; F181-W237 HydrophobicContact CZ-CD2 3.31Å; F181-W237 AromaticContact CZ-CE2 3.78Å; F181-W237 AromaticContact CZ-CE3 3.34Å; F181-W237 HydrophobicContact CZ-CE3 3.34Å; F181-W237 AromaticContact CZ-CG 3.75Å; F181-W237 HydrophobicContact CZ-CG 3.75Å; F181-W237 HydrophobicContact CZ-CH2 4.24Å; F181-W237 HydrophobicContact CZ-CZ2 4.23Å; F181-W237 AromaticContact CZ-CZ3 3.83Å; F181-W237 HydrophobicContact CZ-CZ3 3.83Å; M200-W237 HydrophobicContact CB-CH2 4.13Å; M200-W237 HydrophobicContact CB-CZ3 4.5Å; M200-W237 HydrophobicContact CE-CH2 4.14Å; M200-W237 HydrophobicContact CE-CZ2 3.69Å; M200-W237 HydrophobicContact CG-CH2 3.65Å; M200-W237 HydrophobicContact CG-CZ2 4.05Å; M200-W237 HydrophobicContact CG-CZ3 4.47Å; M200-W237 HydrophobicContact SD-CH2 3.95Å; M200-W237 HydrophobicContact SD-CZ2 3.7Å; F204-W237 HydrophobicContact CB-CH2 4.41Å; F204-W237 HydrophobicContact CB-CZ3 4.49Å; F204-W237 AromaticContact CD2-CH2 3.4Å; F204-W237 HydrophobicContact CD2-CH2 3.4Å; F204-W237 VanDerWaalsContact CD2-CH2 3.4Å; F204-W237 HydrophobicContact CD2-CZ2 4.14Å; F204-W237 HydrophobicContact CD2-CZ3 4.11Å; F204-W237 AromaticContact CE2-CH2 3.89Å; F204-W237 HydrophobicContact CE2-CH2 3.89Å; F204-W237 HydrophobicContact CE2-CZ2 4.2Å; F204-W237 HydrophobicContact CG-CH2 4.02Å; F204-W237 HydrophobicContact CG-CZ3 4.28Å; F234-W237 AromaticContact CD1-CZ2 3.61Å; F234-W237 HydrophobicContact CD1-CZ2 3.61Å; F234-W237 HydrophobicContact CE1-CZ2 4.07Å; F234-W237 HydrophobicContact CG-CZ2 4.39Å; F234-W237 PolarHBondContact O-N 2.91Å; M235-W237 VanDerWaalsContact C-N 3.29Å; M235-W237 PolarHBondContact O-N 3Å |
| 238 | I | 92.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -67.3 | 148.6 | -177.5 | 59.8 | 179.3 | 0 | 0 | 0 | 112.3 | F204 F234 M235 L240 I243 | F204-I238 HydrophobicContact CD1-CB 4.33Å; F204-I238 HydrophobicContact CD1-CG2 3.8Å; F204-I238 HydrophobicContact CD2-CG2 4.12Å; F204-I238 HydrophobicContact CE1-CB 3.88Å; F204-I238 HydrophobicContact CE1-CD1 4.27Å; F204-I238 HydrophobicContact CE1-CG2 3.29Å; F204-I238 HydrophobicContact CE2-CG2 3.65Å; F204-I238 HydrophobicContact CG-CG2 4.2Å; F204-I238 HydrophobicContact CZ-CB 4.25Å; F204-I238 HydrophobicContact CZ-CD1 4.4Å; F204-I238 HydrophobicContact CZ-CG2 3.23Å; F234-I238 HydrophobicContact CB-CD1 4.45Å; F234-I238 HydrophobicContact CB-CG2 3.75Å; F234-I238 WeakPolarHBondContact O-CG1 3.49Å; F234-I238 VanDerWaalsContact O-CG2 3.24Å; F234-I238 WeakPolarHBondContact O-CG2 3.48Å; F234-I238 PolarHBondContact O-N 3.47Å; M235-I238 HydrophobicContact SD-CD1 4.25Å; I238-L240 PolarHBondContact O-N 3.38Å; I238-I243 HydrophobicContact CD1-CD1 4.03Å; I238-I243 HydrophobicContact CD1-CG1 3.74Å; I238-I243 HydrophobicContact CG1-CD1 3.96Å; I238-I243 HydrophobicContact CG1-CG1 4.11Å |
| 239 | P | 92.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 40% | 0.403 | 19% | 0.192 | S | C | . | . | trans | -55.5 | 133.9 | 172.2 | -26.3 | 34.8 | 0 | 0 | 0 | 111.9 | G241 Y242 | P239-G241 PolarHBondContact O-N 3.36Å; P239-G241 VanDerWaalsContact O-N 3.09Å; P239-Y242 HydrophobicContact CB-CD2 3.92Å; P239-Y242 HydrophobicContact CB-CE2 4.04Å; P239-Y242 HydrophobicContact CG-CD2 4.16Å; P239-Y242 HydrophobicContact CG-CE2 3.94Å; P239-Y242 WeakPolarHBondContact O-CD2 3.44Å; P239-Y242 PolarHBondContact O-N 2.99Å | ||
| 240 | L | 93.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26 | -171.6 | -60.6 | -174.8 | 0 | 0 | 0 | 114.1 | I238 Y242 I243 F244 V276 V278 Y281 | I238-L240 PolarHBondContact O-N 3.38Å; L240-Y242 PolarHBondContact O-N 3.45Å; L240-I243 HydrophobicContact CD2-CD1 4.34Å; L240-I243 WeakPolarHBondContact O-CA 3.41Å; L240-I243 WeakPolarHBondContact O-CB 3.25Å; L240-I243 PolarHBondContact O-N 2.93Å; L240-F244 HydrophobicContact CB-CD2 4.05Å; L240-F244 HydrophobicContact CB-CE2 4.36Å; L240-F244 HydrophobicContact CD2-CE2 4.29Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.24Å; L240-V276 HydrophobicContact CD1-CG1 3.85Å; L240-V276 HydrophobicContact CD2-CG1 3.71Å; L240-V276 HydrophobicContact CD2-CG2 4.42Å; L240-V276 HydrophobicContact CG-CG1 4.45Å; L240-V278 HydrophobicContact CD1-CB 4.41Å; L240-V278 HydrophobicContact CD1-CG1 3.56Å; L240-V278 HydrophobicContact CD1-CG2 4.19Å; L240-Y281 HydrophobicContact CB-CD2 4.47Å; L240-Y281 HydrophobicContact CB-CE2 3.77Å; L240-Y281 HydrophobicContact CD1-CE2 4.24Å |
| 241 | G | 94.4 | Very high | 94 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.6 | -35 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P239 I243 E245 | P239-G241 PolarHBondContact O-N 3.36Å; P239-G241 VanDerWaalsContact O-N 3.09Å; G241-I243 PolarHBondContact O-N 2.68Å; G241-E245 WeakPolarHBondContact O-CA 3.46Å; G241-E245 VanDerWaalsContact O-CB 3.24Å; G241-E245 WeakPolarHBondContact O-CB 3.19Å; G241-E245 PolarHBondContact O-N 3.14Å |
| 242 | Y | 94.8 | Very high | 94 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -26.5 | 175.5 | -67.4 | -72.5 | 0 | 0 | 0 | 112.8 | F204 S205 F208 P239 L240 T246 | F204-Y242 AromaticContact CD1-CD2 3.88Å; F204-Y242 HydrophobicContact CD1-CD2 3.88Å; F204-Y242 HydrophobicContact CD1-CE1 4.46Å; F204-Y242 AromaticContact CD1-CE2 3.77Å; F204-Y242 HydrophobicContact CD1-CE2 3.77Å; F204-Y242 HydrophobicContact CD1-CG 4.29Å; F204-Y242 HydrophobicContact CE1-CD2 4.11Å; F204-Y242 HydrophobicContact CE1-CE2 4.44Å; F204-Y242 HydrophobicContact CE1-CG 4.17Å; S205-Y242 WeakPolarHBondContact CB-OH 3.33Å; F208-Y242 HydrophobicContact CB-CD1 4.03Å; F208-Y242 HydrophobicContact CB-CE1 4.15Å; F208-Y242 AromaticContact CD1-CD1 3.58Å; F208-Y242 HydrophobicContact CD1-CD1 3.58Å; F208-Y242 HydrophobicContact CD1-CE1 4.17Å; F208-Y242 HydrophobicContact CD2-CD1 4.02Å; F208-Y242 HydrophobicContact CD2-CG 4.28Å; F208-Y242 HydrophobicContact CE1-CD1 4.01Å; F208-Y242 HydrophobicContact CE2-CD1 4.4Å; F208-Y242 AromaticContact CG-CD1 3.58Å; F208-Y242 HydrophobicContact CG-CD1 3.58Å; F208-Y242 HydrophobicContact CG-CE1 4.16Å; F208-Y242 HydrophobicContact CG-CG 4.28Å; F208-Y242 HydrophobicContact CZ-CD1 4.4Å; F208-Y242 VanDerWaalsContact CZ-O 3.26Å; F208-Y242 WeakPolarHBondContact CZ-O 3.26Å; P239-Y242 HydrophobicContact CB-CD2 3.92Å; P239-Y242 HydrophobicContact CB-CE2 4.04Å; P239-Y242 HydrophobicContact CG-CD2 4.16Å; P239-Y242 HydrophobicContact CG-CE2 3.94Å; P239-Y242 WeakPolarHBondContact O-CD2 3.44Å; P239-Y242 PolarHBondContact O-N 2.99Å; L240-Y242 PolarHBondContact O-N 3.45Å; Y242-T246 WeakPolarHBondContact O-CG2 3.49Å; Y242-T246 PolarHBondContact O-OG1 2.69Å |
| 243 | I | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -87.5 | -52.8 | -178.9 | -58.9 | 175.5 | 0 | 0 | 0 | 110.6 | M235 I238 L240 G241 I273 | M235-I243 HydrophobicContact SD-CD1 3.64Å; M235-I243 HydrophobicContact SD-CG1 3.85Å; I238-I243 HydrophobicContact CD1-CD1 4.03Å; I238-I243 HydrophobicContact CD1-CG1 3.74Å; I238-I243 HydrophobicContact CG1-CD1 3.96Å; I238-I243 HydrophobicContact CG1-CG1 4.11Å; L240-I243 HydrophobicContact CD2-CD1 4.34Å; L240-I243 WeakPolarHBondContact O-CA 3.41Å; L240-I243 WeakPolarHBondContact O-CB 3.25Å; L240-I243 PolarHBondContact O-N 2.93Å; G241-I243 PolarHBondContact O-N 2.68Å; I243-I273 HydrophobicContact CG2-CB 4.31Å; I243-I273 HydrophobicContact CG2-CD1 3.96Å; I243-I273 HydrophobicContact CG2-CG1 3.72Å; I243-I273 HydrophobicContact CG2-CG2 3.64Å |
| 244 | F | 95.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -100.4 | -15.5 | -167.8 | -61.2 | -72 | 0 | 0 | 0 | 114.7 | L240 I249 I273 V276 Y281 Q284 L285 | L240-F244 HydrophobicContact CB-CD2 4.05Å; L240-F244 HydrophobicContact CB-CE2 4.36Å; L240-F244 HydrophobicContact CD2-CE2 4.29Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.24Å; F244-I249 HydrophobicContact CD1-CD1 3.81Å; F244-I249 HydrophobicContact CE1-CD1 4.17Å; F244-I273 HydrophobicContact CE1-CG2 3.7Å; F244-I273 HydrophobicContact CZ-CG2 3.83Å; F244-V276 HydrophobicContact CE2-CB 4.34Å; F244-V276 HydrophobicContact CE2-CG1 4.15Å; F244-V276 HydrophobicContact CZ-CB 4.19Å; F244-V276 HydrophobicContact CZ-CG1 4.45Å; F244-V276 HydrophobicContact CZ-CG2 4.42Å; F244-Y281 HydrophobicContact CB-CD1 3.35Å; F244-Y281 HydrophobicContact CB-CD2 4.22Å; F244-Y281 HydrophobicContact CB-CE1 3.69Å; F244-Y281 HydrophobicContact CB-CE2 4.49Å; F244-Y281 HydrophobicContact CB-CG 3.65Å; F244-Y281 HydrophobicContact CD1-CG 4.36Å; F244-Y281 HydrophobicContact CD2-CD1 4.3Å; F244-Y281 AromaticContact CD2-CD2 3.59Å; F244-Y281 HydrophobicContact CD2-CD2 3.59Å; F244-Y281 HydrophobicContact CD2-CE2 4.03Å; F244-Y281 AromaticContact CD2-CG 3.73Å; F244-Y281 HydrophobicContact CD2-CG 3.73Å; F244-Y281 HydrophobicContact CE2-CD2 4.17Å; F244-Y281 HydrophobicContact CE2-CG 4.46Å; F244-Y281 AromaticContact CG-CD1 3.95Å; F244-Y281 HydrophobicContact CG-CD1 3.95Å; F244-Y281 HydrophobicContact CG-CD2 4.04Å; F244-Y281 AromaticContact CG-CG 3.67Å; F244-Y281 HydrophobicContact CG-CG 3.67Å; F244-Q284 HydrophobicContact CB-CB 4.38Å; F244-Q284 HydrophobicContact CB-CG 4.24Å; F244-Q284 HydrophobicContact CD1-CB 3.67Å; F244-Q284 HydrophobicContact CD1-CG 4.44Å; F244-Q284 HydrophobicContact CE1-CB 4.48Å; F244-Q284 HydrophobicContact CG-CB 4.45Å; F244-L285 HydrophobicContact CE1-CD2 3.9Å; F244-L285 HydrophobicContact CE1-CG 4.14Å; F244-L285 HydrophobicContact CZ-CD2 4.08Å |
| 245 | E | 95.2 | Very high | 94.2 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 64% | 0.64 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -107.2 | 15.4 | 179.4 | -54.5 | 173.4 | -168.6 | 0 | 0 | 112.1 | G241 Y281 | G241-E245 WeakPolarHBondContact O-CA 3.46Å; G241-E245 VanDerWaalsContact O-CB 3.24Å; G241-E245 WeakPolarHBondContact O-CB 3.19Å; G241-E245 PolarHBondContact O-N 3.14Å; E245-Y281 HydrophobicContact CG-CE1 3.84Å; E245-Y281 PolarHBondContact OE1-OH 2.8Å |
| 246 | T | 94.9 | Very high | 94.4 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -128.8 | 172.4 | 176.3 | 77.4 | 0 | 0 | 0 | 0 | 111 | F208 Y242 L248 | F208-T246 HydrophobicContact CE1-CG2 3.95Å; F208-T246 HydrophobicContact CZ-CG2 4.1Å; Y242-T246 WeakPolarHBondContact O-CG2 3.49Å; Y242-T246 PolarHBondContact O-OG1 2.69Å; T246-L248 PolarHBondContact O-N 3.45Å; T246-L248 VanDerWaalsContact O-N 3.13Å; T246-L248 VanDerWaalsContact OG1-CB 3.29Å; T246-L248 WeakPolarHBondContact OG1-CB 3.26Å; T246-L248 PolarHBondContact OG1-N 3.06Å |
| 247 | N | 94 | Very high | 94.9 | Very high | 96 Ų | 96 | 40.8 Ų | 40.8 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 16.4 | 176.2 | -65.4 | -21.8 | 0 | 0 | 0 | 113.3 | Q250 T251 | N247-Q250 PolarHBondContact O-N 2.98Å; N247-T251 WeakPolarHBondContact O-CB 3.19Å; N247-T251 PolarHBondContact O-N 3.26Å; N247-T251 PolarHBondContact O-OG1 2.88Å |
| 248 | L | 95.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | -173 | -176.5 | 60.8 | 0 | 0 | 0 | 112.4 | F208 L215 L231 M235 T246 Q250 T251 L252 | F208-L248 HydrophobicContact CE2-CD2 4.07Å; F208-L248 HydrophobicContact CZ-CD2 4.35Å; L215-L248 HydrophobicContact CD1-CD1 4.36Å; L231-L248 HydrophobicContact CD1-CD2 4.36Å; L231-L248 HydrophobicContact CD2-CD1 3.81Å; L231-L248 HydrophobicContact CD2-CD2 4.35Å; M235-L248 HydrophobicContact CE-CD2 3.54Å; M235-L248 HydrophobicContact CE-CG 4.47Å; T246-L248 PolarHBondContact O-N 3.45Å; T246-L248 VanDerWaalsContact O-N 3.13Å; T246-L248 VanDerWaalsContact OG1-CB 3.29Å; T246-L248 WeakPolarHBondContact OG1-CB 3.26Å; T246-L248 PolarHBondContact OG1-N 3.06Å; L248-Q250 PolarHBondContact O-N 3.07Å; L248-T251 PolarHBondContact O-N 3.2Å; L248-L252 HydrophobicContact CD1-CD1 4.39Å; L248-L252 HydrophobicContact CD1-CG 4.33Å; L248-L252 HydrophobicContact CG-CD1 4.11Å; L248-L252 HydrophobicContact CG-CG 4.48Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.49Å |
| 249 | I | 95.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 179.3 | -65.1 | 172 | 0 | 0 | 0 | 110.3 | F244 T251 L252 V253 I273 Q284 L288 | F244-I249 HydrophobicContact CD1-CD1 3.81Å; F244-I249 HydrophobicContact CE1-CD1 4.17Å; I249-T251 VanDerWaalsContact C-N 3.3Å; I249-T251 PolarHBondContact O-N 3.23Å; I249-L252 PolarHBondContact O-N 3.44Å; I249-V253 HydrophobicContact CG2-CG2 4.43Å; I249-V253 WeakPolarHBondContact O-CG2 3.39Å; I249-V253 PolarHBondContact O-N 3.28Å; I249-I273 HydrophobicContact CD1-CG2 4.3Å; I249-I273 HydrophobicContact CG1-CD1 4.36Å; I249-Q284 HydrophobicContact CD1-CB 4.5Å; I249-L288 HydrophobicContact CG2-CB 4.11Å; I249-L288 HydrophobicContact CG2-CD1 3.78Å |
| 250 | Q | 95.3 | Very high | 95.3 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 178.3 | -66.5 | -178.2 | -1 | 0 | 0 | 111.7 | N247 L248 F254 E287 | N247-Q250 PolarHBondContact O-N 2.98Å; L248-Q250 PolarHBondContact O-N 3.07Å; Q250-F254 HydrophobicContact CB-CD2 4.19Å; Q250-F254 WeakPolarHBondContact O-CB 3.35Å; Q250-F254 VanDerWaalsContact O-CD2 3.28Å; Q250-F254 WeakPolarHBondContact O-CD2 3.44Å; Q250-F254 PolarHBondContact O-N 3.37Å; Q250-E287 PolarHBondContact NE2-OE1 3.06Å |
| 251 | T | 95.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | N247 L248 I249 K255 F256 | N247-T251 WeakPolarHBondContact O-CB 3.19Å; N247-T251 PolarHBondContact O-N 3.26Å; N247-T251 PolarHBondContact O-OG1 2.88Å; L248-T251 PolarHBondContact O-N 3.2Å; I249-T251 VanDerWaalsContact C-N 3.3Å; I249-T251 PolarHBondContact O-N 3.23Å; T251-K255 HydrophobicContact CG2-CB 4.42Å; T251-K255 HydrophobicContact CG2-CD 4.36Å; T251-K255 WeakPolarHBondContact O-CB 3.3Å; T251-K255 PolarHBondContact O-N 2.95Å; T251-F256 HydrophobicContact CG2-CD2 4.31Å; T251-F256 HydrophobicContact CG2-CE2 3.72Å |
| 252 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -59.3 | -51.9 | 177 | -70.7 | 172.5 | 0 | 0 | 0 | 111.3 | L228 L231 L248 I249 F256 F257 T266 C269 L270 I273 | L228-L252 HydrophobicContact CD2-CD2 3.62Å; L231-L252 HydrophobicContact CD2-CD2 4.29Å; L248-L252 HydrophobicContact CD1-CD1 4.39Å; L248-L252 HydrophobicContact CD1-CG 4.33Å; L248-L252 HydrophobicContact CG-CD1 4.11Å; L248-L252 HydrophobicContact CG-CG 4.48Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.49Å; I249-L252 PolarHBondContact O-N 3.44Å; L252-F256 HydrophobicContact CD2-CD2 4.49Å; L252-F256 PolarHBondContact O-N 3.3Å; L252-F257 PolarHBondContact O-N 3.24Å; L252-T266 HydrophobicContact CB-CG2 3.97Å; L252-T266 HydrophobicContact CD2-CG2 4.18Å; L252-T266 VanDerWaalsContact O-CG2 3.24Å; L252-T266 WeakPolarHBondContact O-CG2 3.42Å; L252-C269 HydrophobicContact CD1-CB 4.09Å; L252-L270 HydrophobicContact CB-CD2 3.91Å; L252-L270 HydrophobicContact CD1-CD2 4.22Å; L252-I273 HydrophobicContact CD1-CD1 3.88Å |
| 253 | V | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -67.8 | -49.1 | -175.5 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | I249 F257 L270 K295 | I249-V253 HydrophobicContact CG2-CG2 4.43Å; I249-V253 WeakPolarHBondContact O-CG2 3.39Å; I249-V253 PolarHBondContact O-N 3.28Å; V253-F257 WeakPolarHBondContact O-CB 3.33Å; V253-L270 HydrophobicContact CG2-CD1 4.08Å; V253-L270 HydrophobicContact CG2-CD2 3.76Å; V253-K295 HydrophobicContact CG1-CB 4.08Å |
| 254 | F | 96.1 | Very high | 95.7 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -89.5 | -27 | -169.8 | -65.4 | -66.9 | 0 | 0 | 0 | 114.3 | Q250 | Q250-F254 HydrophobicContact CB-CD2 4.19Å; Q250-F254 WeakPolarHBondContact O-CB 3.35Å; Q250-F254 VanDerWaalsContact O-CD2 3.28Å; Q250-F254 WeakPolarHBondContact O-CD2 3.44Å; Q250-F254 PolarHBondContact O-N 3.37Å |
| 255 | K | 95.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -96.5 | -36.2 | -176.6 | -165.3 | 175.5 | 179.9 | 178.1 | 0 | 113.6 | L215 E216 T251 | L215-K255 WeakPolarHBondContact O-CE 3.39Å; L215-K255 PolarHBondContact O-NZ 2.99Å; E216-K255 VanDerWaalsContact C-NZ 3.28Å; E216-K255 PolarHBondContact O-NZ 3.19Å; T251-K255 HydrophobicContact CG2-CB 4.42Å; T251-K255 HydrophobicContact CG2-CD 4.36Å; T251-K255 WeakPolarHBondContact O-CB 3.3Å; T251-K255 PolarHBondContact O-N 2.95Å |
| 256 | F | 96.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -115.7 | -36 | -167.8 | -58.8 | -58.6 | 0 | 0 | 0 | 114.3 | L215 V224 L228 T251 L252 N258 V259 F262 T266 | L215-F256 HydrophobicContact CB-CE2 3.97Å; L215-F256 HydrophobicContact CB-CZ 3.97Å; L215-F256 HydrophobicContact CD2-CE2 3.68Å; L215-F256 HydrophobicContact CD2-CZ 3.69Å; L215-F256 HydrophobicContact CG-CE2 4.24Å; L215-F256 HydrophobicContact CG-CZ 4.4Å; L215-F256 VanDerWaalsContact O-CZ 3.3Å; L215-F256 WeakPolarHBondContact O-CZ 3.47Å; V224-F256 HydrophobicContact CG1-CD1 4.05Å; V224-F256 HydrophobicContact CG1-CE1 3.52Å; V224-F256 HydrophobicContact CG1-CZ 4.07Å; L228-F256 HydrophobicContact CD1-CB 4.42Å; L228-F256 HydrophobicContact CD1-CD1 4.48Å; L228-F256 HydrophobicContact CD1-CG 4.26Å; L228-F256 HydrophobicContact CD2-CD2 4.2Å; L228-F256 HydrophobicContact CD2-CE2 4.44Å; T251-F256 HydrophobicContact CG2-CD2 4.31Å; T251-F256 HydrophobicContact CG2-CE2 3.72Å; L252-F256 HydrophobicContact CD2-CD2 4.49Å; L252-F256 PolarHBondContact O-N 3.3Å; F256-N258 VanDerWaalsContact C-N 3.29Å; F256-N258 PolarHBondContact O-N 2.68Å; F256-V259 PolarHBondContact O-N 3.04Å; F256-F262 HydrophobicContact CB-CB 4.06Å; F256-F262 HydrophobicContact CB-CD2 4.45Å; F256-F262 AromaticContact CD1-CD2 3.67Å; F256-F262 HydrophobicContact CD1-CD2 3.67Å; F256-F262 HydrophobicContact CD1-CE2 4.13Å; F256-F262 HydrophobicContact CD1-CG 4.27Å; F256-F262 HydrophobicContact CE1-CD2 4.47Å; F256-T266 HydrophobicContact CB-CG2 4.15Å; F256-T266 VanDerWaalsContact CB-OG1 3.31Å; F256-T266 WeakPolarHBondContact CB-OG1 3.33Å |
| 257 | F | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -36.7 | -172.7 | -176.8 | -137.7 | 0 | 0 | 0 | 113.5 | L252 V253 V259 R263 T266 L267 L270 T292 K295 L296 M299 F320 | L252-F257 PolarHBondContact O-N 3.24Å; V253-F257 WeakPolarHBondContact O-CB 3.33Å; F257-V259 VanDerWaalsContact C-N 3.3Å; F257-V259 PolarHBondContact O-N 3.15Å; F257-R263 WeakPolarHBondContact O-CB 3.21Å; F257-T266 HydrophobicContact CB-CG2 3.89Å; F257-L267 HydrophobicContact CD2-CB 4.37Å; F257-L267 HydrophobicContact CE2-CB 3.96Å; F257-L267 HydrophobicContact CE2-CD1 3.85Å; F257-L267 HydrophobicContact CE2-CD2 4.13Å; F257-L267 HydrophobicContact CE2-CG 4.2Å; F257-L267 HydrophobicContact CZ-CD1 4.15Å; F257-L270 HydrophobicContact CG-CD1 4.45Å; F257-T292 HydrophobicContact CD1-CG2 4.49Å; F257-T292 HydrophobicContact CE1-CG2 3.91Å; F257-T292 HydrophobicContact CZ-CG2 4.23Å; F257-K295 HydrophobicContact CD1-CB 3.93Å; F257-K295 HydrophobicContact CD1-CG 3.92Å; F257-K295 HydrophobicContact CE1-CB 4.27Å; F257-L296 HydrophobicContact CE1-CB 4.26Å; F257-L296 HydrophobicContact CZ-CD1 4.32Å; F257-M299 HydrophobicContact CD1-SD 3.94Å; F257-M299 HydrophobicContact CD2-CE 4.48Å; F257-M299 HydrophobicContact CE1-SD 3.92Å; F257-M299 HydrophobicContact CE2-CE 4.34Å; F257-M299 HydrophobicContact CG-SD 4.28Å; F257-M299 HydrophobicContact CZ-CE 4.42Å; F257-M299 HydrophobicContact CZ-SD 4.25Å; F257-M299 WeakPolarHBondContact O-CE 3.45Å; F257-F320 AromaticContact CE2-CE2 3.76Å; F257-F320 HydrophobicContact CE2-CE2 3.76Å; F257-F320 HydrophobicContact CE2-CZ 4.45Å; F257-F320 HydrophobicContact CZ-CE2 4.18Å; F257-F320 HydrophobicContact CZ-CZ 4.46Å |
| 258 | N | 94.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 35% | 0.353 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.5 | 179 | 66.7 | -26.6 | 0 | 0 | 0 | 114.8 | F256 K295 M299 | F256-N258 VanDerWaalsContact C-N 3.29Å; F256-N258 PolarHBondContact O-N 2.68Å; N258-K295 VanDerWaalsContact CB-CE 3.49Å; N258-K295 HydrophobicContact CB-CG 4.45Å; N258-M299 HydrophobicContact CB-CG 4.49Å; N258-M299 HydrophobicContact CB-SD 4.21Å |
| 259 | V | 95.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 40 Ų | 40 | 30% | 0.303 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -96 | 118.4 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | F256 F257 L261 F262 R263 | F256-V259 PolarHBondContact O-N 3.04Å; F257-V259 VanDerWaalsContact C-N 3.3Å; F257-V259 PolarHBondContact O-N 3.15Å; V259-L261 HydrophobicContact CG1-CB 4.48Å; V259-L261 PolarHBondContact O-N 3.31Å; V259-F262 HydrophobicContact CB-CD2 3.71Å; V259-F262 HydrophobicContact CB-CE2 4.33Å; V259-F262 HydrophobicContact CG1-CD2 3.64Å; V259-F262 HydrophobicContact CG1-CE2 3.86Å; V259-F262 HydrophobicContact CG1-CG 4.44Å; V259-F262 HydrophobicContact CG2-CD2 4.3Å; V259-F262 PolarHBondContact O-N 3.4Å; V259-R263 PolarHBondContact O-N 3.27Å |
| 260 | P | 94.2 | Very high | 96.4 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 60% | 0.604 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.9 | -173.2 | -30.4 | 35.9 | 0 | 0 | 0 | 115.5 | F262 R263 | P260-F262 VanDerWaalsContact C-N 3.33Å; P260-F262 PolarHBondContact O-N 3.04Å; P260-R263 WeakPolarHBondContact O-CG 3.38Å |
| 261 | L | 94.5 | Very high | 96.4 | Very high | 113 Ų | 113 | 35.8 Ų | 35.8 | 59% | 0.592 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.9 | 179.4 | -172.9 | 65.4 | 0 | 0 | 0 | 113.2 | A221 V225 V259 | A221-L261 HydrophobicContact CB-CD2 3.63Å; V225-L261 HydrophobicContact CG2-CG 4.35Å; V259-L261 HydrophobicContact CG1-CB 4.48Å; V259-L261 PolarHBondContact O-N 3.31Å |
| 262 | F | 96.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -21.4 | -175.1 | -49.5 | -45.5 | 0 | 0 | 0 | 112.8 | A221 V224 V225 L228 F256 V259 P260 N264 V265 T266 | A221-F262 HydrophobicContact CB-CE1 4.34Å; A221-F262 HydrophobicContact CB-CZ 4.19Å; V224-F262 HydrophobicContact CB-CE1 4.04Å; V224-F262 HydrophobicContact CB-CZ 4.1Å; V224-F262 HydrophobicContact CG1-CD1 4.08Å; V224-F262 HydrophobicContact CG1-CD2 4.47Å; V224-F262 HydrophobicContact CG1-CE1 3.75Å; V224-F262 HydrophobicContact CG1-CE2 4.17Å; V224-F262 HydrophobicContact CG1-CG 4.44Å; V224-F262 HydrophobicContact CG1-CZ 3.81Å; V225-F262 HydrophobicContact CG2-CD1 3.7Å; V225-F262 HydrophobicContact CG2-CE1 3.74Å; L228-F262 HydrophobicContact CD1-CB 3.97Å; L228-F262 HydrophobicContact CD1-CD1 4.37Å; L228-F262 HydrophobicContact CD1-CG 4.28Å; F256-F262 HydrophobicContact CB-CB 4.06Å; F256-F262 HydrophobicContact CB-CD2 4.45Å; F256-F262 AromaticContact CD1-CD2 3.67Å; F256-F262 HydrophobicContact CD1-CD2 3.67Å; F256-F262 HydrophobicContact CD1-CE2 4.13Å; F256-F262 HydrophobicContact CD1-CG 4.27Å; F256-F262 HydrophobicContact CE1-CD2 4.47Å; V259-F262 HydrophobicContact CB-CD2 3.71Å; V259-F262 HydrophobicContact CB-CE2 4.33Å; V259-F262 HydrophobicContact CG1-CD2 3.64Å; V259-F262 HydrophobicContact CG1-CE2 3.86Å; V259-F262 HydrophobicContact CG1-CG 4.44Å; V259-F262 HydrophobicContact CG2-CD2 4.3Å; V259-F262 PolarHBondContact O-N 3.4Å; P260-F262 VanDerWaalsContact C-N 3.33Å; P260-F262 PolarHBondContact O-N 3.04Å; F262-N264 PolarHBondContact O-N 3.46Å; F262-V265 VanDerWaalsContact O-CG1 3.23Å; F262-V265 WeakPolarHBondContact O-CG1 3.41Å; F262-V265 PolarHBondContact O-N 2.87Å; F262-V265 VanDerWaalsContact O-N 3.17Å; F262-T266 PolarHBondContact O-N 3.41Å; F262-T266 PolarHBondContact O-OG1 3.3Å; F262-T266 VanDerWaalsContact O-OG1 3.05Å |
| 263 | R | 96.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -47 | -41.9 | -170.3 | 74.7 | -177.2 | 167 | 179.4 | -3.4 | 114.6 | F257 V259 P260 L267 M299 F320 | F257-R263 WeakPolarHBondContact O-CB 3.21Å; V259-R263 PolarHBondContact O-N 3.27Å; P260-R263 WeakPolarHBondContact O-CG 3.38Å; R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.3Å; R263-L267 PolarHBondContact O-N 3Å; R263-M299 HydrophobicContact CB-CE 4.45Å; R263-F320 HydrophobicContact CB-CD2 4.43Å; R263-F320 HydrophobicContact CB-CE2 4.5Å; R263-F320 HydrophobicContact CG-CD2 4Å; R263-F320 HydrophobicContact CG-CE2 4.49Å |
| 264 | N | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.6 | -49.7 | -174.6 | -87.1 | -47.8 | 0 | 0 | 0 | 111.9 | F262 T266 L267 K268 D316 F320 N323 | F262-N264 PolarHBondContact O-N 3.46Å; N264-T266 VanDerWaalsContact C-N 3.34Å; N264-L267 PolarHBondContact O-N 3.28Å; N264-K268 WeakPolarHBondContact O-CG 3.38Å; N264-K268 PolarHBondContact O-N 2.77Å; N264-K268 VanDerWaalsContact O-N 3.11Å; N264-D316 PolarHBondContact ND2-O 3.07Å; N264-F320 WeakPolarHBondContact OD1-CA 3.28Å; N264-F320 WeakPolarHBondContact OD1-CB 3.4Å; N264-F320 PolarHBondContact OD1-N 3.38Å; N264-N323 PolarHBondContact OD1-ND2 3.39Å |
| 265 | V | 97.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -38.5 | 178 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | L228 E229 F262 L267 K268 C269 | L228-V265 HydrophobicContact CB-CB 4.39Å; L228-V265 HydrophobicContact CB-CG1 3.65Å; L228-V265 HydrophobicContact CB-CG2 3.8Å; L228-V265 HydrophobicContact CD1-CG1 3.77Å; L228-V265 HydrophobicContact CG-CG1 4.34Å; E229-V265 HydrophobicContact CG-CG2 3.91Å; F262-V265 VanDerWaalsContact O-CG1 3.23Å; F262-V265 WeakPolarHBondContact O-CG1 3.41Å; F262-V265 PolarHBondContact O-N 2.87Å; F262-V265 VanDerWaalsContact O-N 3.17Å; V265-L267 PolarHBondContact O-N 3.34Å; V265-K268 PolarHBondContact O-N 2.94Å; V265-C269 PolarHBondContact O-N 2.96Å; V265-C269 PolarHBondContact O-SG 3.08Å; V265-C269 VanDerWaalsContact O-SG 3.34Å |
| 266 | T | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 175 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L252 F256 F257 F262 N264 K268 C269 L270 | L252-T266 HydrophobicContact CB-CG2 3.97Å; L252-T266 HydrophobicContact CD2-CG2 4.18Å; L252-T266 VanDerWaalsContact O-CG2 3.24Å; L252-T266 WeakPolarHBondContact O-CG2 3.42Å; F256-T266 HydrophobicContact CB-CG2 4.15Å; F256-T266 VanDerWaalsContact CB-OG1 3.31Å; F256-T266 WeakPolarHBondContact CB-OG1 3.33Å; F257-T266 HydrophobicContact CB-CG2 3.89Å; F262-T266 PolarHBondContact O-N 3.41Å; F262-T266 PolarHBondContact O-OG1 3.3Å; F262-T266 VanDerWaalsContact O-OG1 3.05Å; N264-T266 VanDerWaalsContact C-N 3.34Å; T266-K268 VanDerWaalsContact C-N 3.31Å; T266-K268 PolarHBondContact O-N 3.46Å; T266-C269 WeakPolarHBondContact O-CB 3.46Å; T266-C269 PolarHBondContact O-N 3.33Å; T266-C269 VanDerWaalsContact O-N 3.15Å; T266-L270 HydrophobicContact CG2-CD1 4.25Å; T266-L270 HydrophobicContact CG2-CG 4.49Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 2.93Å |
| 267 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 179.8 | -174.3 | 56.5 | 0 | 0 | 0 | 112.5 | F257 R263 N264 V265 L270 A271 F320 N323 L324 F327 | F257-L267 HydrophobicContact CD2-CB 4.37Å; F257-L267 HydrophobicContact CE2-CB 3.96Å; F257-L267 HydrophobicContact CE2-CD1 3.85Å; F257-L267 HydrophobicContact CE2-CD2 4.13Å; F257-L267 HydrophobicContact CE2-CG 4.2Å; F257-L267 HydrophobicContact CZ-CD1 4.15Å; R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.3Å; R263-L267 PolarHBondContact O-N 3Å; N264-L267 PolarHBondContact O-N 3.28Å; V265-L267 PolarHBondContact O-N 3.34Å; L267-L270 PolarHBondContact O-N 3.41Å; L267-A271 WeakPolarHBondContact O-CB 3.13Å; L267-A271 PolarHBondContact O-N 3.44Å; L267-F320 HydrophobicContact CD2-CD2 3.97Å; L267-F320 HydrophobicContact CD2-CE2 3.92Å; L267-N323 HydrophobicContact CB-CB 4.43Å; L267-N323 HydrophobicContact CD2-CB 3.62Å; L267-N323 HydrophobicContact CG-CB 4.01Å; L267-L324 HydrophobicContact CD1-CD2 4.34Å; L267-L324 HydrophobicContact CD2-CB 4.39Å; L267-L324 HydrophobicContact CD2-CD2 3.57Å; L267-L324 HydrophobicContact CD2-CG 3.73Å; L267-F327 HydrophobicContact CD1-CB 3.81Å; L267-F327 HydrophobicContact CD1-CD1 4.43Å; L267-F327 HydrophobicContact CD1-CD2 4.19Å; L267-F327 HydrophobicContact CD1-CG 3.88Å; L267-F327 HydrophobicContact CG-CB 4.43Å |
| 268 | K | 97.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 171 | -71 | 176.4 | -178.5 | -175.9 | 0 | 111.4 | L232 N264 V265 T266 L270 A271 E272 N323 | L232-K268 HydrophobicContact CD1-CB 3.86Å; L232-K268 HydrophobicContact CD2-CB 4.03Å; L232-K268 HydrophobicContact CD2-CD 4.18Å; N264-K268 WeakPolarHBondContact O-CG 3.38Å; N264-K268 PolarHBondContact O-N 2.77Å; N264-K268 VanDerWaalsContact O-N 3.11Å; V265-K268 PolarHBondContact O-N 2.94Å; T266-K268 VanDerWaalsContact C-N 3.31Å; T266-K268 PolarHBondContact O-N 3.46Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.45Å; K268-A271 WeakPolarHBondContact O-CB 3.37Å; K268-A271 PolarHBondContact O-N 3.04Å; K268-A271 VanDerWaalsContact O-N 3.15Å; K268-E272 PolarHBondContact O-N 3.01Å; K268-N323 WeakPolarHBondContact CE-OD1 3.31Å |
| 269 | C | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L252 V265 T266 A271 E272 I273 | L252-C269 HydrophobicContact CD1-CB 4.09Å; V265-C269 PolarHBondContact O-N 2.96Å; V265-C269 PolarHBondContact O-SG 3.08Å; V265-C269 VanDerWaalsContact O-SG 3.34Å; T266-C269 WeakPolarHBondContact O-CB 3.46Å; T266-C269 PolarHBondContact O-N 3.33Å; T266-C269 VanDerWaalsContact O-N 3.15Å; C269-A271 VanDerWaalsContact C-N 3.28Å; C269-A271 PolarHBondContact O-N 3.14Å; C269-E272 PolarHBondContact O-N 2.73Å; C269-I273 VanDerWaalsContact O-CG1 3.25Å; C269-I273 WeakPolarHBondContact O-CG1 3.31Å; C269-I273 PolarHBondContact O-N 3.48Å |
| 270 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 177.3 | -63 | 172.5 | 0 | 0 | 0 | 112 | L252 V253 F257 T266 L267 K268 A274 L288 T292 F327 | L252-L270 HydrophobicContact CB-CD2 3.91Å; L252-L270 HydrophobicContact CD1-CD2 4.22Å; V253-L270 HydrophobicContact CG2-CD1 4.08Å; V253-L270 HydrophobicContact CG2-CD2 3.76Å; F257-L270 HydrophobicContact CG-CD1 4.45Å; T266-L270 HydrophobicContact CG2-CD1 4.25Å; T266-L270 HydrophobicContact CG2-CG 4.49Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 2.93Å; L267-L270 PolarHBondContact O-N 3.41Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.45Å; L270-A274 VanDerWaalsContact O-CB 3.22Å; L270-A274 WeakPolarHBondContact O-CB 3.23Å; L270-A274 PolarHBondContact O-N 2.93Å; L270-L288 HydrophobicContact CB-CD1 4.35Å; L270-L288 HydrophobicContact CD2-CD1 3.48Å; L270-L288 VanDerWaalsContact CD2-CD1 3.48Å; L270-L288 HydrophobicContact CG-CD1 4.45Å; L270-T292 HydrophobicContact CD1-CG2 4Å; L270-F327 HydrophobicContact CB-CD2 4.14Å; L270-F327 HydrophobicContact CB-CE2 4.08Å |
| 271 | A | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L267 K268 C269 A274 G275 I326 F327 | L267-A271 WeakPolarHBondContact O-CB 3.13Å; L267-A271 PolarHBondContact O-N 3.44Å; K268-A271 WeakPolarHBondContact O-CB 3.37Å; K268-A271 PolarHBondContact O-N 3.04Å; K268-A271 VanDerWaalsContact O-N 3.15Å; C269-A271 VanDerWaalsContact C-N 3.28Å; C269-A271 PolarHBondContact O-N 3.14Å; A271-A274 PolarHBondContact O-N 3.04Å; A271-G275 PolarHBondContact O-N 3.48Å; A271-I326 HydrophobicContact CB-CG2 4.22Å; A271-F327 HydrophobicContact CB-CB 4.19Å; A271-F327 HydrophobicContact CB-CD2 4.4Å |
| 272 | E | 95.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 173 | -66.8 | -54.4 | 143 | 0 | 0 | 111.2 | L232 M235 H236 K268 C269 A274 G275 | L232-E272 HydrophobicContact CD1-CG 3.69Å; M235-E272 HydrophobicContact CB-CB 3.88Å; M235-E272 HydrophobicContact CB-CG 4.4Å; M235-E272 HydrophobicContact CG-CB 4.39Å; H236-E272 IonicContact CD2-OE2 3.91Å; H236-E272 IonicContact NE2-OE2 2.95Å; K268-E272 PolarHBondContact O-N 3.01Å; C269-E272 PolarHBondContact O-N 2.73Å; E272-A274 VanDerWaalsContact C-N 3.3Å; E272-A274 PolarHBondContact O-N 3.43Å; E272-G275 PolarHBondContact O-N 2.95Å; E272-G275 VanDerWaalsContact O-N 3.11Å |
| 273 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 176 | -61.4 | 166.5 | 0 | 0 | 0 | 110.7 | M235 I243 F244 I249 L252 C269 G275 V276 L288 | M235-I273 HydrophobicContact CE-CD1 3.87Å; M235-I273 HydrophobicContact CE-CG1 4.14Å; M235-I273 HydrophobicContact SD-CD1 4.15Å; M235-I273 HydrophobicContact SD-CG1 3.73Å; I243-I273 HydrophobicContact CG2-CB 4.31Å; I243-I273 HydrophobicContact CG2-CD1 3.96Å; I243-I273 HydrophobicContact CG2-CG1 3.72Å; I243-I273 HydrophobicContact CG2-CG2 3.64Å; F244-I273 HydrophobicContact CE1-CG2 3.7Å; F244-I273 HydrophobicContact CZ-CG2 3.83Å; I249-I273 HydrophobicContact CD1-CG2 4.3Å; I249-I273 HydrophobicContact CG1-CD1 4.36Å; L252-I273 HydrophobicContact CD1-CD1 3.88Å; C269-I273 VanDerWaalsContact O-CG1 3.25Å; C269-I273 WeakPolarHBondContact O-CG1 3.31Å; C269-I273 PolarHBondContact O-N 3.48Å; I273-G275 PolarHBondContact O-N 3.05Å; I273-V276 WeakPolarHBondContact O-CG2 3.4Å; I273-V276 PolarHBondContact O-N 2.93Å; I273-L288 HydrophobicContact CB-CD2 4.24Å; I273-L288 HydrophobicContact CG2-CD2 3.74Å |
| 274 | A | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.8 | -15 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L270 A271 E272 L288 F327 F331 H335 | L270-A274 VanDerWaalsContact O-CB 3.22Å; L270-A274 WeakPolarHBondContact O-CB 3.23Å; L270-A274 PolarHBondContact O-N 2.93Å; A271-A274 PolarHBondContact O-N 3.04Å; E272-A274 VanDerWaalsContact C-N 3.3Å; E272-A274 PolarHBondContact O-N 3.43Å; A274-L288 HydrophobicContact CB-CD2 4.11Å; A274-F327 HydrophobicContact CB-CD2 4.27Å; A274-F327 HydrophobicContact CB-CE2 4.08Å; A274-F331 HydrophobicContact CB-CB 3.96Å; A274-F331 HydrophobicContact CB-CD2 3.83Å; A274-F331 HydrophobicContact CB-CG 4.41Å; A274-H335 PolarHBondContact O-CD2 3.24Å; A274-H335 VanDerWaalsContact O-CD2 3.29Å; A274-H335 PolarHBondContact O-NE2 3.17Å |
| 275 | G | 94.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A271 E272 I273 L277 T330 | A271-G275 PolarHBondContact O-N 3.48Å; E272-G275 PolarHBondContact O-N 2.95Å; E272-G275 VanDerWaalsContact O-N 3.11Å; I273-G275 PolarHBondContact O-N 3.05Å; G275-L277 PolarHBondContact O-N 3.05Å; G275-T330 VanDerWaalsContact CA-CG2 3.42Å |
| 276 | V | 93.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 47 Ų | 47 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | trans | -75.6 | 107.5 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | L240 F244 I273 V278 H335 | L240-V276 HydrophobicContact CD1-CG1 3.85Å; L240-V276 HydrophobicContact CD2-CG1 3.71Å; L240-V276 HydrophobicContact CD2-CG2 4.42Å; L240-V276 HydrophobicContact CG-CG1 4.45Å; F244-V276 HydrophobicContact CE2-CB 4.34Å; F244-V276 HydrophobicContact CE2-CG1 4.15Å; F244-V276 HydrophobicContact CZ-CB 4.19Å; F244-V276 HydrophobicContact CZ-CG1 4.45Å; F244-V276 HydrophobicContact CZ-CG2 4.42Å; I273-V276 WeakPolarHBondContact O-CG2 3.4Å; I273-V276 PolarHBondContact O-N 2.93Å; V276-V278 HydrophobicContact CG1-CB 4.49Å; V276-V278 HydrophobicContact CG1-CG1 4.01Å; V276-V278 HydrophobicContact CG1-CG2 3.78Å; V276-V278 PolarHBondContact O-N 3Å; V276-V278 VanDerWaalsContact O-N 3.14Å; V276-H335 PolarHBondContact O-CE1 2.98Å; V276-H335 PolarHBondContact O-NE2 3Å | ||
| 277 | L | 91.3 | Very high | 94.7 | Very high | 134 Ų | 134 | 50.6 Ų | 50.6 | 70% | 0.702 | 26% | 0.264 | S | S | * | . | trans | -82.3 | 88.3 | 179.8 | -58.3 | 179.3 | 0 | 0 | 0 | 111.6 | G275 | G275-L277 PolarHBondContact O-N 3.05Š| ||
| 278 | V | 88.9 | Confident | 94.6 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -143.5 | 144.8 | 178.1 | -69.5 | 0 | 0 | 0 | 0 | 112 | L240 V276 Y281 | L240-V278 HydrophobicContact CD1-CB 4.41Å; L240-V278 HydrophobicContact CD1-CG1 3.56Å; L240-V278 HydrophobicContact CD1-CG2 4.19Å; V276-V278 HydrophobicContact CG1-CB 4.49Å; V276-V278 HydrophobicContact CG1-CG1 4.01Å; V276-V278 HydrophobicContact CG1-CG2 3.78Å; V276-V278 PolarHBondContact O-N 3Å; V276-V278 VanDerWaalsContact O-N 3.14Å; V278-Y281 HydrophobicContact CG2-CD2 3.86Å | ||
| 279 | D | 89.3 | Confident | 94.5 | Very high | 137 Ų | 137 | 46.2 Ų | 46.2 | 73% | 0.733 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -90.2 | -20 | -179 | -64 | -22.3 | 0 | 0 | 0 | 111.8 | Y281 E282 | D279-Y281 VanDerWaalsContact C-N 3.31Å; D279-Y281 PolarHBondContact O-N 3.36Å; D279-E282 WeakPolarHBondContact O-CG 3.41Å |
| 280 | E | 92.9 | Very high | 94.5 | Very high | 148 Ų | 148 | 47.9 Ų | 47.9 | 69% | 0.692 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -22.8 | -174.5 | -62 | 87.5 | 172.4 | 0 | 0 | 114.1 | ||
| 281 | Y | 94.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 26.8 | -171.9 | -59.6 | -69.4 | 0 | 0 | 0 | 113.8 | L240 F244 E245 V278 D279 T283 Q284 L285 | L240-Y281 HydrophobicContact CB-CD2 4.47Å; L240-Y281 HydrophobicContact CB-CE2 3.77Å; L240-Y281 HydrophobicContact CD1-CE2 4.24Å; F244-Y281 HydrophobicContact CB-CD1 3.35Å; F244-Y281 HydrophobicContact CB-CD2 4.22Å; F244-Y281 HydrophobicContact CB-CE1 3.69Å; F244-Y281 HydrophobicContact CB-CE2 4.49Å; F244-Y281 HydrophobicContact CB-CG 3.65Å; F244-Y281 HydrophobicContact CD1-CG 4.36Å; F244-Y281 HydrophobicContact CD2-CD1 4.3Å; F244-Y281 AromaticContact CD2-CD2 3.59Å; F244-Y281 HydrophobicContact CD2-CD2 3.59Å; F244-Y281 HydrophobicContact CD2-CE2 4.03Å; F244-Y281 AromaticContact CD2-CG 3.73Å; F244-Y281 HydrophobicContact CD2-CG 3.73Å; F244-Y281 HydrophobicContact CE2-CD2 4.17Å; F244-Y281 HydrophobicContact CE2-CG 4.46Å; F244-Y281 AromaticContact CG-CD1 3.95Å; F244-Y281 HydrophobicContact CG-CD1 3.95Å; F244-Y281 HydrophobicContact CG-CD2 4.04Å; F244-Y281 AromaticContact CG-CG 3.67Å; F244-Y281 HydrophobicContact CG-CG 3.67Å; E245-Y281 HydrophobicContact CG-CE1 3.84Å; E245-Y281 PolarHBondContact OE1-OH 2.8Å; V278-Y281 HydrophobicContact CG2-CD2 3.86Å; D279-Y281 VanDerWaalsContact C-N 3.31Å; D279-Y281 PolarHBondContact O-N 3.36Å; Y281-T283 PolarHBondContact O-N 2.93Å; Y281-T283 VanDerWaalsContact O-N 3.17Å; Y281-Q284 PolarHBondContact O-N 3.39Å; Y281-Q284 VanDerWaalsContact O-N 3.14Å; Y281-Q284 PolarHBondContact O-OE1 2.76Å; Y281-L285 WeakPolarHBondContact O-CG 3.46Å; Y281-L285 PolarHBondContact O-N 3.13Å |
| 282 | E | 94 | Very high | 94.4 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.1 | -39.4 | 179.4 | -73 | -173 | 176.2 | 0 | 0 | 113.3 | D279 L285 V286 L338 | D279-E282 WeakPolarHBondContact O-CG 3.41Å; E282-L285 PolarHBondContact O-N 3.36Å; E282-V286 WeakPolarHBondContact O-CG2 3.26Å; E282-V286 PolarHBondContact O-N 3.05Å; E282-L338 HydrophobicContact CB-CD1 4.08Å; E282-L338 HydrophobicContact CB-CD2 4.2Å; E282-L338 VanDerWaalsContact CD-CD2 3.41Å; E282-L338 HydrophobicContact CG-CD1 3.93Å; E282-L338 HydrophobicContact CG-CD2 3.66Å; E282-L338 HydrophobicContact CG-CG 4.48Å |
| 283 | T | 94.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 44.3 Ų | 44.3 | 67% | 0.669 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.5 | -44 | -178.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | Y281 V286 E287 | Y281-T283 PolarHBondContact O-N 2.93Å; Y281-T283 VanDerWaalsContact O-N 3.17Å; T283-V286 PolarHBondContact O-N 3.29Å; T283-E287 PolarHBondContact O-N 3.05Å |
| 284 | Q | 95.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 179.5 | -65.7 | 85 | -21.7 | 0 | 0 | 111.7 | F244 I249 Y281 E287 L288 | F244-Q284 HydrophobicContact CB-CB 4.38Å; F244-Q284 HydrophobicContact CB-CG 4.24Å; F244-Q284 HydrophobicContact CD1-CB 3.67Å; F244-Q284 HydrophobicContact CD1-CG 4.44Å; F244-Q284 HydrophobicContact CE1-CB 4.48Å; F244-Q284 HydrophobicContact CG-CB 4.45Å; I249-Q284 HydrophobicContact CD1-CB 4.5Å; Y281-Q284 PolarHBondContact O-N 3.39Å; Y281-Q284 VanDerWaalsContact O-N 3.14Å; Y281-Q284 PolarHBondContact O-OE1 2.76Å; Q284-E287 PolarHBondContact O-N 3.2Å; Q284-L288 WeakPolarHBondContact O-CB 3.37Å; Q284-L288 PolarHBondContact O-N 3.05Å |
| 285 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 172.8 | -72.9 | 167.2 | 0 | 0 | 0 | 111.5 | F244 Y281 E282 L288 F289 F331 L338 | F244-L285 HydrophobicContact CE1-CD2 3.9Å; F244-L285 HydrophobicContact CE1-CG 4.14Å; F244-L285 HydrophobicContact CZ-CD2 4.08Å; Y281-L285 WeakPolarHBondContact O-CG 3.46Å; Y281-L285 PolarHBondContact O-N 3.13Å; E282-L285 PolarHBondContact O-N 3.36Å; L285-L288 HydrophobicContact CD2-CD2 4.42Å; L285-L288 WeakPolarHBondContact O-CB 3.24Å; L285-L288 PolarHBondContact O-N 2.85Å; L285-F289 PolarHBondContact O-N 3.43Å; L285-F289 VanDerWaalsContact O-N 3.07Å; L285-F331 HydrophobicContact CB-CE2 4.34Å; L285-F331 VanDerWaalsContact O-CE2 3.31Å; L285-F331 WeakPolarHBondContact O-CE2 3.45Å; L285-L338 HydrophobicContact CB-CD1 4.28Å; L285-L338 HydrophobicContact CD1-CD1 4.32Å |
| 286 | V | 95 | Very high | 94.4 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | E282 T283 L288 F289 V290 L338 L344 | E282-V286 WeakPolarHBondContact O-CG2 3.26Å; E282-V286 PolarHBondContact O-N 3.05Å; T283-V286 PolarHBondContact O-N 3.29Å; V286-L288 PolarHBondContact O-N 2.96Å; V286-F289 PolarHBondContact O-N 2.88Å; V286-V290 HydrophobicContact CG1-CG2 4.17Å; V286-V290 WeakPolarHBondContact O-CB 3.39Å; V286-V290 VanDerWaalsContact O-CG2 3.26Å; V286-V290 WeakPolarHBondContact O-CG2 3.4Å; V286-V290 PolarHBondContact O-N 3.48Å; V286-L338 HydrophobicContact CG2-CB 4.02Å; V286-L344 HydrophobicContact CG1-CD1 3.61Å; V286-L344 HydrophobicContact CG1-CD2 4.4Å; V286-L344 HydrophobicContact CG2-CD1 4.32Å |
| 287 | E | 94.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.4 | -174.6 | -178.4 | 170.7 | 0 | 0 | 111.9 | Q250 T283 Q284 F289 V290 S291 | Q250-E287 PolarHBondContact NE2-OE1 3.06Å; T283-E287 PolarHBondContact O-N 3.05Å; Q284-E287 PolarHBondContact O-N 3.2Å; E287-F289 PolarHBondContact O-N 3Å; E287-V290 PolarHBondContact O-N 3.29Å; E287-S291 VanDerWaalsContact O-CB 3.22Å; E287-S291 WeakPolarHBondContact O-CB 3.43Å; E287-S291 PolarHBondContact O-N 3.49Å; E287-S291 PolarHBondContact O-OG 3.32Å |
| 288 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.2 | -52.1 | 174.5 | 169.7 | 70.1 | 0 | 0 | 0 | 111.1 | I249 L270 I273 A274 Q284 L285 V286 S291 T292 | I249-L288 HydrophobicContact CG2-CB 4.11Å; I249-L288 HydrophobicContact CG2-CD1 3.78Å; L270-L288 HydrophobicContact CB-CD1 4.35Å; L270-L288 HydrophobicContact CD2-CD1 3.48Å; L270-L288 VanDerWaalsContact CD2-CD1 3.48Å; L270-L288 HydrophobicContact CG-CD1 4.45Å; I273-L288 HydrophobicContact CB-CD2 4.24Å; I273-L288 HydrophobicContact CG2-CD2 3.74Å; A274-L288 HydrophobicContact CB-CD2 4.11Å; Q284-L288 WeakPolarHBondContact O-CB 3.37Å; Q284-L288 PolarHBondContact O-N 3.05Å; L285-L288 HydrophobicContact CD2-CD2 4.42Å; L285-L288 WeakPolarHBondContact O-CB 3.24Å; L285-L288 PolarHBondContact O-N 2.85Å; V286-L288 PolarHBondContact O-N 2.96Å; L288-S291 PolarHBondContact O-OG 3.39Å; L288-T292 WeakPolarHBondContact O-CB 2.92Å; L288-T292 PolarHBondContact O-N 2.79Å; L288-T292 PolarHBondContact O-OG1 2.95Å |
| 289 | F | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | -178.1 | 179.1 | -96.7 | 0 | 0 | 0 | 112.6 | L285 V286 E287 T293 Y328 F331 L332 V339 K347 A351 | L285-F289 PolarHBondContact O-N 3.43Å; L285-F289 VanDerWaalsContact O-N 3.07Å; V286-F289 PolarHBondContact O-N 2.88Å; E287-F289 PolarHBondContact O-N 3Å; F289-T293 VanDerWaalsContact O-CB 3.24Å; F289-T293 WeakPolarHBondContact O-CB 3.33Å; F289-T293 PolarHBondContact O-N 2.78Å; F289-T293 PolarHBondContact O-OG1 3.2Å; F289-Y328 HydrophobicContact CE2-CD1 4.09Å; F289-Y328 AromaticContact CE2-CE1 4Å; F289-Y328 HydrophobicContact CE2-CE1 4Å; F289-F331 HydrophobicContact CB-CD1 4.38Å; F289-F331 HydrophobicContact CB-CD2 4.24Å; F289-F331 HydrophobicContact CB-CE1 3.83Å; F289-F331 HydrophobicContact CB-CE2 3.68Å; F289-F331 HydrophobicContact CB-CZ 3.45Å; F289-F331 VanDerWaalsContact CB-CZ 3.45Å; F289-F331 HydrophobicContact CD1-CE1 4.5Å; F289-F331 AromaticContact CD2-CD1 3.34Å; F289-F331 HydrophobicContact CD2-CD1 3.34Å; F289-F331 HydrophobicContact CD2-CD2 4.24Å; F289-F331 AromaticContact CD2-CE1 3.46Å; F289-F331 HydrophobicContact CD2-CE1 3.46Å; F289-F331 VanDerWaalsContact CD2-CE1 3.46Å; F289-F331 HydrophobicContact CD2-CE2 4.34Å; F289-F331 AromaticContact CD2-CG 3.77Å; F289-F331 HydrophobicContact CD2-CG 3.77Å; F289-F331 AromaticContact CD2-CZ 3.99Å; F289-F331 HydrophobicContact CD2-CZ 3.99Å; F289-F331 AromaticContact CE2-CD1 3.79Å; F289-F331 HydrophobicContact CE2-CD1 3.79Å; F289-F331 HydrophobicContact CE2-CE1 4.09Å; F289-F331 HydrophobicContact CE2-CG 4.45Å; F289-F331 HydrophobicContact CG-CD1 4.06Å; F289-F331 AromaticContact CG-CE1 3.69Å; F289-F331 HydrophobicContact CG-CE1 3.69Å; F289-F331 HydrophobicContact CG-CE2 4.38Å; F289-F331 AromaticContact CG-CZ 3.87Å; F289-F331 HydrophobicContact CG-CZ 3.87Å; F289-L332 HydrophobicContact CE2-CD2 4.45Å; F289-V339 HydrophobicContact CD1-CG1 3.66Å; F289-V339 HydrophobicContact CE1-CB 4.32Å; F289-V339 HydrophobicContact CE1-CG1 3.9Å; F289-V339 HydrophobicContact CG-CG1 4.12Å; F289-K347 HydrophobicContact CE1-CB 4.08Å; F289-A351 HydrophobicContact CE2-CB 4.04Å; F289-A351 HydrophobicContact CZ-CB 3.57Å |
| 290 | V | 95.7 | Very high | 95.1 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 21% | 0.212 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -52.3 | -179.1 | 167.3 | 0 | 0 | 0 | 0 | 110.5 | V286 E287 T293 D294 L344 K347 | V286-V290 HydrophobicContact CG1-CG2 4.17Å; V286-V290 WeakPolarHBondContact O-CB 3.39Å; V286-V290 VanDerWaalsContact O-CG2 3.26Å; V286-V290 WeakPolarHBondContact O-CG2 3.4Å; V286-V290 PolarHBondContact O-N 3.48Å; E287-V290 PolarHBondContact O-N 3.29Å; V290-T293 PolarHBondContact O-N 2.96Å; V290-D294 PolarHBondContact O-N 3.24Å; V290-L344 HydrophobicContact CG2-CD2 3.86Å; V290-K347 HydrophobicContact CG2-CG 4.45Å |
| 291 | S | 95.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | -177.5 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | E287 L288 D294 K295 | E287-S291 VanDerWaalsContact O-CB 3.22Å; E287-S291 WeakPolarHBondContact O-CB 3.43Å; E287-S291 PolarHBondContact O-N 3.49Å; E287-S291 PolarHBondContact O-OG 3.32Å; L288-S291 PolarHBondContact O-OG 3.39Å; S291-D294 PolarHBondContact O-N 3.24Å; S291-K295 WeakPolarHBondContact O-CB 3.19Å; S291-K295 PolarHBondContact O-N 3.13Å |
| 292 | T | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | F257 L270 L288 K295 L296 F327 | F257-T292 HydrophobicContact CD1-CG2 4.49Å; F257-T292 HydrophobicContact CE1-CG2 3.91Å; F257-T292 HydrophobicContact CZ-CG2 4.23Å; L270-T292 HydrophobicContact CD1-CG2 4Å; L288-T292 WeakPolarHBondContact O-CB 2.92Å; L288-T292 PolarHBondContact O-N 2.79Å; L288-T292 PolarHBondContact O-OG1 2.95Å; T292-K295 PolarHBondContact O-N 2.87Å; T292-L296 WeakPolarHBondContact O-CB 3.43Å; T292-L296 PolarHBondContact O-N 2.94Å; T292-F327 HydrophobicContact CG2-CD1 4.42Å; T292-F327 HydrophobicContact CG2-CE1 3.75Å; T292-F327 HydrophobicContact CG2-CE2 4.2Å; T292-F327 HydrophobicContact CG2-CZ 3.62Å |
| 293 | T | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | F289 V290 L296 K297 Y328 D350 | F289-T293 VanDerWaalsContact O-CB 3.24Å; F289-T293 WeakPolarHBondContact O-CB 3.33Å; F289-T293 PolarHBondContact O-N 2.78Å; F289-T293 PolarHBondContact O-OG1 3.2Å; V290-T293 PolarHBondContact O-N 2.96Å; T293-L296 PolarHBondContact O-N 2.88Å; T293-K297 PolarHBondContact O-N 2.84Å; T293-Y328 PolarHBondContact OG1-OH 3.25Å; T293-D350 HydrophobicContact CG2-CB 4.2Å |
| 294 | D | 94.9 | Very high | 95 | Very high | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 174 | -86.1 | -35.1 | 0 | 0 | 0 | 112.3 | V290 S291 L296 K297 E298 K347 | V290-D294 PolarHBondContact O-N 3.24Å; S291-D294 PolarHBondContact O-N 3.24Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.78Å; D294-K297 WeakPolarHBondContact O-CB 3.47Å; D294-K297 PolarHBondContact O-N 3.17Å; D294-E298 PolarHBondContact O-N 3.08Å; D294-K347 IonicContact OD1-NZ 3.9Å; D294-K347 PolarHBondContact OD1-NZ 2.88Å; D294-K347 IonicContact OD2-NZ 3.23Å; D294-K347 PolarHBondContact OD2-NZ 3.36Å |
| 295 | K | 95.2 | Very high | 94.9 | Very high | 27 Ų | 27 | 48 Ų | 48 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 178.2 | -158.1 | 72 | -169.4 | 162.2 | 0 | 112.1 | V253 F257 N258 S291 T292 K297 E298 M299 | V253-K295 HydrophobicContact CG1-CB 4.08Å; F257-K295 HydrophobicContact CD1-CB 3.93Å; F257-K295 HydrophobicContact CD1-CG 3.92Å; F257-K295 HydrophobicContact CE1-CB 4.27Å; N258-K295 VanDerWaalsContact CB-CE 3.49Å; N258-K295 HydrophobicContact CB-CG 4.45Å; S291-K295 WeakPolarHBondContact O-CB 3.19Å; S291-K295 PolarHBondContact O-N 3.13Å; T292-K295 PolarHBondContact O-N 2.87Å; K295-K297 VanDerWaalsContact C-N 3.34Å; K295-K297 PolarHBondContact O-N 3.32Å; K295-E298 WeakPolarHBondContact CE-OE2 3.49Å; K295-E298 IonicContact NZ-OE2 2.76Å; K295-E298 PolarHBondContact NZ-OE2 3.23Å; K295-E298 WeakPolarHBondContact O-CB 3.44Å; K295-E298 PolarHBondContact O-N 2.89Å; K295-M299 HydrophobicContact CG-SD 4.45Å; K295-M299 WeakPolarHBondContact O-CG 3.35Å; K295-M299 PolarHBondContact O-N 2.8Å |
| 296 | L | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 175 | -178.3 | 61.9 | 0 | 0 | 0 | 111.8 | F257 T292 T293 D294 E298 M299 L300 F320 L324 Y328 Y354 | F257-L296 HydrophobicContact CE1-CB 4.26Å; F257-L296 HydrophobicContact CZ-CD1 4.32Å; T292-L296 WeakPolarHBondContact O-CB 3.43Å; T292-L296 PolarHBondContact O-N 2.94Å; T293-L296 PolarHBondContact O-N 2.88Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.78Å; L296-E298 PolarHBondContact O-N 3.21Å; L296-M299 CarbonylContact O-C 3.18Å; L296-M299 PolarHBondContact O-N 2.91Å; L296-L300 HydrophobicContact CD1-CB 3.97Å; L296-L300 HydrophobicContact CD1-CD2 4.43Å; L296-L300 HydrophobicContact CG-CB 4.49Å; L296-L300 PolarHBondContact O-N 3.41Å; L296-F320 HydrophobicContact CD1-CE1 4.34Å; L296-F320 HydrophobicContact CD1-CZ 3.77Å; L296-L324 HydrophobicContact CD1-CD1 3.95Å; L296-L324 HydrophobicContact CD1-CD2 3.68Å; L296-L324 HydrophobicContact CD1-CG 4.48Å; L296-L324 HydrophobicContact CD2-CD1 4.45Å; L296-L324 HydrophobicContact CD2-CD2 3.69Å; L296-L324 HydrophobicContact CG-CD2 4.31Å; L296-Y328 HydrophobicContact CD2-CE2 3.67Å; L296-Y328 VanDerWaalsContact CD2-OH 3.29Å; L296-Y328 WeakPolarHBondContact CD2-OH 3.46Å; L296-Y354 HydrophobicContact CD2-CD1 4.19Å; L296-Y354 HydrophobicContact CD2-CD2 3.92Å; L296-Y354 HydrophobicContact CD2-CE1 4Å; L296-Y354 HydrophobicContact CD2-CE2 3.71Å; L296-Y354 HydrophobicContact CD2-CG 4.16Å; L296-Y354 HydrophobicContact CG-CE1 4.21Å; L296-Y354 HydrophobicContact CG-CE2 4.16Å |
| 297 | K | 94.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -34.5 | 177.1 | -81.2 | -177 | 155.9 | -169.3 | 0 | 113.7 | T293 D294 K295 M299 D350 Y354 | T293-K297 PolarHBondContact O-N 2.84Å; D294-K297 WeakPolarHBondContact O-CB 3.47Å; D294-K297 PolarHBondContact O-N 3.17Å; K295-K297 VanDerWaalsContact C-N 3.34Å; K295-K297 PolarHBondContact O-N 3.32Å; K297-M299 VanDerWaalsContact C-N 3.33Å; K297-D350 VanDerWaalsContact CE-OD1 3.25Å; K297-D350 WeakPolarHBondContact CE-OD1 3.49Å; K297-D350 WeakPolarHBondContact CE-OD2 3.46Å; K297-D350 IonicContact NZ-OD1 3.65Å; K297-D350 PolarHBondContact NZ-OD1 3.46Å; K297-D350 IonicContact NZ-OD2 2.66Å; K297-D350 PolarHBondContact NZ-OD2 2.94Å; K297-Y354 VanDerWaalsContact CA-OH 3.3Å; K297-Y354 WeakPolarHBondContact CA-OH 3.25Å; K297-Y354 HydrophobicContact CG-CE2 4.29Å; K297-Y354 WeakPolarHBondContact CG-OH 3.29Å |
| 298 | E | 94.1 | Very high | 94.8 | Very high | 136 Ų | 136 | 49.5 Ų | 49.5 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.8 | -35.1 | 173.4 | -62 | 176.9 | -174.7 | 0 | 0 | 112 | D294 K295 L296 | D294-E298 PolarHBondContact O-N 3.08Å; K295-E298 WeakPolarHBondContact CE-OE2 3.49Å; K295-E298 IonicContact NZ-OE2 2.76Å; K295-E298 PolarHBondContact NZ-OE2 3.23Å; K295-E298 WeakPolarHBondContact O-CB 3.44Å; K295-E298 PolarHBondContact O-N 2.89Å; L296-E298 PolarHBondContact O-N 3.21Å |
| 299 | M | 94.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -86 | -36.9 | -176 | -64.1 | 166.2 | 60.8 | 0 | 0 | 113.5 | F257 N258 R263 K295 L296 K297 F320 | F257-M299 HydrophobicContact CD1-SD 3.94Å; F257-M299 HydrophobicContact CD2-CE 4.48Å; F257-M299 HydrophobicContact CE1-SD 3.92Å; F257-M299 HydrophobicContact CE2-CE 4.34Å; F257-M299 HydrophobicContact CG-SD 4.28Å; F257-M299 HydrophobicContact CZ-CE 4.42Å; F257-M299 HydrophobicContact CZ-SD 4.25Å; F257-M299 WeakPolarHBondContact O-CE 3.45Å; N258-M299 HydrophobicContact CB-CG 4.49Å; N258-M299 HydrophobicContact CB-SD 4.21Å; R263-M299 HydrophobicContact CB-CE 4.45Å; K295-M299 HydrophobicContact CG-SD 4.45Å; K295-M299 WeakPolarHBondContact O-CG 3.35Å; K295-M299 PolarHBondContact O-N 2.8Å; L296-M299 CarbonylContact O-C 3.18Å; L296-M299 PolarHBondContact O-N 2.91Å; K297-M299 VanDerWaalsContact C-N 3.33Å; M299-F320 HydrophobicContact CE-CE2 3.98Å; M299-F320 HydrophobicContact CE-CZ 3.76Å |
| 300 | L | 94.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -137.7 | 87.7 | -173.6 | -176.2 | 66.5 | 0 | 0 | 0 | 109 | L296 T304 L306 L324 Y354 | L296-L300 HydrophobicContact CD1-CB 3.97Å; L296-L300 HydrophobicContact CD1-CD2 4.43Å; L296-L300 HydrophobicContact CG-CB 4.49Å; L296-L300 PolarHBondContact O-N 3.41Å; L300-T304 HydrophobicContact CD1-CG2 3.81Å; L300-L306 HydrophobicContact CD1-CD1 4.15Å; L300-L306 HydrophobicContact CD2-CD1 3.99Å; L300-L324 HydrophobicContact CD2-CD1 4.01Å; L300-Y354 HydrophobicContact CB-CE1 4.44Å; L300-Y354 HydrophobicContact CD2-CD1 4.28Å; L300-Y354 HydrophobicContact CD2-CE1 3.97Å; L300-Y354 HydrophobicContact CG-CE1 4.13Å; L300-Y354 WeakPolarHBondContact O-CE1 3.2Å; L300-Y354 PolarHBondContact O-OH 2.93Å |
| 301 | P | 95 | Very high | 94.6 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | trans | -58.3 | 143.9 | 177.3 | -23.6 | 33.9 | 0 | 0 | 0 | 111.8 | E303 T304 | P301-E303 WeakPolarHBondContact CB-OE2 3.35Å; P301-E303 PolarHBondContact O-N 3.41Å; P301-E303 VanDerWaalsContact O-N 3.11Å; P301-T304 WeakPolarHBondContact O-CB 3.49Å; P301-T304 PolarHBondContact O-N 3.49Å; P301-T304 PolarHBondContact O-OG1 3.47Å | ||
| 302 | L | 92.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.1 | -175.8 | -74.7 | 171.6 | 0 | 0 | 0 | 113.6 | T304 D350 A353 Y354 M357 | L302-T304 VanDerWaalsContact C-N 3.27Å; L302-D350 HydrophobicContact CD1-CB 4.49Å; L302-A353 HydrophobicContact CD2-CB 3.85Å; L302-Y354 HydrophobicContact CD2-CD1 3.84Å; L302-Y354 HydrophobicContact CD2-CD2 3.87Å; L302-Y354 HydrophobicContact CD2-CE1 3.63Å; L302-Y354 HydrophobicContact CD2-CE2 3.67Å; L302-Y354 HydrophobicContact CD2-CG 3.95Å; L302-Y354 HydrophobicContact CG-CE1 4.44Å; L302-Y354 HydrophobicContact CG-CE2 4.38Å; L302-M357 HydrophobicContact CD2-SD 4.12Å |
| 303 | E | 92.5 | Very high | 94.4 | Very high | 160 Ų | 160 | 65.4 Ų | 65.4 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.6 | 176.3 | -48.3 | 73.6 | -160.4 | 0 | 0 | 112.2 | P301 R305 | P301-E303 WeakPolarHBondContact CB-OE2 3.35Å; P301-E303 PolarHBondContact O-N 3.41Å; P301-E303 VanDerWaalsContact O-N 3.11Å; E303-R305 PolarHBondContact O-N 3.12Å |
| 304 | T | 94.2 | Very high | 94.4 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -63.8 | 132.1 | -179 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | L300 P301 L302 L306 A309 M357 | L300-T304 HydrophobicContact CD1-CG2 3.81Å; P301-T304 WeakPolarHBondContact O-CB 3.49Å; P301-T304 PolarHBondContact O-N 3.49Å; P301-T304 PolarHBondContact O-OG1 3.47Å; L302-T304 VanDerWaalsContact C-N 3.27Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 3.43Å; T304-A309 HydrophobicContact CG2-CB 4.37Å; T304-M357 WeakPolarHBondContact O-CE 3.38Å |
| 305 | R | 93.9 | Very high | 94.4 | Very high | 177 Ų | 177 | 71 Ų | 71 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | trans | -78.6 | 85.1 | 172.1 | -64.7 | -173.8 | 179.6 | -176.4 | -1.2 | 110.1 | E303 K307 E308 A309 | E303-R305 PolarHBondContact O-N 3.12Å; R305-K307 VanDerWaalsContact C-N 3.25Å; R305-K307 PolarHBondContact O-N 3.38Å; R305-E308 HydrophobicContact CB-CB 4.3Å; R305-E308 HydrophobicContact CB-CG 4.31Å; R305-E308 WeakPolarHBondContact CD-OE1 3.44Å; R305-E308 IonicContact CZ-OE1 3.76Å; R305-E308 IonicContact NE-OE1 3.44Å; R305-E308 IonicContact NH1-OE1 3.51Å; R305-E308 PolarHBondContact NH1-OE1 2.89Å; R305-E308 PolarHBondContact O-N 3.03Å; R305-E308 VanDerWaalsContact O-N 3.11Å; R305-A309 PolarHBondContact O-N 3.16Å | ||
| 306 | L | 94.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -34.8 | -170.3 | -164.9 | 60.8 | 0 | 0 | 0 | 113.3 | L300 T304 A309 Y310 I321 M357 L358 V361 | L300-L306 HydrophobicContact CD1-CD1 4.15Å; L300-L306 HydrophobicContact CD2-CD1 3.99Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 3.43Å; L306-A309 PolarHBondContact O-N 2.91Å; L306-Y310 WeakPolarHBondContact O-CB 3.49Å; L306-Y310 PolarHBondContact O-N 3.34Å; L306-I321 HydrophobicContact CD1-CD1 3.63Å; L306-I321 HydrophobicContact CD1-CG1 3.95Å; L306-I321 HydrophobicContact CD2-CG2 4.26Å; L306-I321 HydrophobicContact CG-CD1 4.26Å; L306-I321 HydrophobicContact CG-CG2 4.39Å; L306-M357 HydrophobicContact CB-CB 4.04Å; L306-M357 HydrophobicContact CB-CE 3.99Å; L306-M357 HydrophobicContact CD2-CB 3.92Å; L306-L358 HydrophobicContact CD2-CD2 3.65Å; L306-L358 HydrophobicContact CD2-CG 3.86Å; L306-V361 HydrophobicContact CB-CG2 4.49Å; L306-V361 HydrophobicContact CD2-CG2 4.26Å; L306-V361 HydrophobicContact CG-CG2 4.02Å |
| 307 | K | 93.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 78.3 Ų | 78.3 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.5 | -54.4 | 172.7 | -179.9 | -175.6 | 172.8 | 175.8 | 0 | 112.3 | R305 A309 Y310 E311 E362 | R305-K307 VanDerWaalsContact C-N 3.25Å; R305-K307 PolarHBondContact O-N 3.38Å; K307-A309 VanDerWaalsContact C-N 3.31Å; K307-A309 PolarHBondContact O-N 3.39Å; K307-Y310 PolarHBondContact O-N 3.04Å; K307-E311 VanDerWaalsContact CE-OE1 3.25Å; K307-E311 WeakPolarHBondContact CE-OE1 3.33Å; K307-E311 WeakPolarHBondContact O-CG 3.23Å; K307-E311 PolarHBondContact O-N 3.27Å; K307-E311 VanDerWaalsContact O-N 3.16Å; K307-E362 HydrophobicContact CD-CG 4.43Å; K307-E362 VanDerWaalsContact CE-OE1 3.24Å; K307-E362 WeakPolarHBondContact CE-OE1 3.34Å; K307-E362 IonicContact NZ-OE1 2.63Å; K307-E362 PolarHBondContact NZ-OE1 2.9Å; K307-E362 IonicContact NZ-OE2 3.81Å |
| 308 | E | 95 | Very high | 94.4 | Very high | 59 Ų | 59 | 77.8 Ų | 77.8 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 179.1 | -63.9 | -174.1 | -140.6 | 0 | 0 | 111.8 | R305 R312 | R305-E308 HydrophobicContact CB-CB 4.3Å; R305-E308 HydrophobicContact CB-CG 4.31Å; R305-E308 WeakPolarHBondContact CD-OE1 3.44Å; R305-E308 IonicContact CZ-OE1 3.76Å; R305-E308 IonicContact NE-OE1 3.44Å; R305-E308 IonicContact NH1-OE1 3.51Å; R305-E308 PolarHBondContact NH1-OE1 2.89Å; R305-E308 PolarHBondContact O-N 3.03Å; R305-E308 VanDerWaalsContact O-N 3.11Å; E308-R312 WeakPolarHBondContact O-CG 3.3Å; E308-R312 PolarHBondContact O-N 3.11Å; E308-R312 IonicContact OE2-CZ 2.95Å; E308-R312 IonicContact OE2-NH1 3.67Å; E308-R312 IonicContact OE2-NH2 3.69Å; E308-R312 PolarHBondContact OE2-NH2 3.05Å |
| 309 | A | 94.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T304 R305 L306 K307 G313 | T304-A309 HydrophobicContact CG2-CB 4.37Å; R305-A309 PolarHBondContact O-N 3.16Å; L306-A309 PolarHBondContact O-N 2.91Å; K307-A309 VanDerWaalsContact C-N 3.31Å; K307-A309 PolarHBondContact O-N 3.39Å; A309-G313 WeakPolarHBondContact O-CA 3.29Å; A309-G313 PolarHBondContact O-N 3.26Å |
| 310 | Y | 95.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 71.4 Ų | 71.4 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.6 | -47.2 | 175.5 | -172.9 | -88.9 | 0 | 0 | 0 | 111.8 | L306 K307 R312 G313 Q318 I321 V361 E363 I366 | L306-Y310 WeakPolarHBondContact O-CB 3.49Å; L306-Y310 PolarHBondContact O-N 3.34Å; K307-Y310 PolarHBondContact O-N 3.04Å; Y310-R312 VanDerWaalsContact C-N 3.27Å; Y310-R312 PolarHBondContact O-N 3.47Å; Y310-G313 PolarHBondContact O-N 3.45Å; Y310-Q318 HydrophobicContact CD1-CG 4.41Å; Y310-Q318 HydrophobicContact CD2-CB 4.17Å; Y310-Q318 HydrophobicContact CD2-CG 3.94Å; Y310-Q318 HydrophobicContact CE1-CG 4.16Å; Y310-Q318 HydrophobicContact CE2-CB 3.53Å; Y310-Q318 HydrophobicContact CE2-CG 3.65Å; Y310-Q318 HydrophobicContact CG-CG 4.3Å; Y310-Q318 PolarHBondContact O-NE2 3.24Å; Y310-Q318 VanDerWaalsContact O-NE2 3.15Å; Y310-I321 HydrophobicContact CD2-CB 3.95Å; Y310-I321 HydrophobicContact CD2-CD1 3.71Å; Y310-I321 HydrophobicContact CD2-CG1 4.4Å; Y310-I321 HydrophobicContact CD2-CG2 3.88Å; Y310-I321 HydrophobicContact CE2-CB 4.37Å; Y310-I321 HydrophobicContact CE2-CG2 4.41Å; Y310-I321 HydrophobicContact CG-CD1 4.32Å; Y310-V361 HydrophobicContact CD1-CG1 3.58Å; Y310-V361 HydrophobicContact CD2-CG1 3.77Å; Y310-V361 HydrophobicContact CE1-CG1 4.11Å; Y310-V361 HydrophobicContact CE2-CG1 4.29Å; Y310-V361 HydrophobicContact CG-CG1 3.4Å; Y310-E363 HydrophobicContact CE1-CB 3.81Å; Y310-E363 HydrophobicContact CE1-CG 4.35Å; Y310-I366 HydrophobicContact CD2-CD1 3.98Å; Y310-I366 HydrophobicContact CE2-CD1 3.31Å |
| 311 | E | 94.2 | Very high | 94.8 | Very high | 105 Ų | 105 | 70.8 Ų | 70.8 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 179.9 | -73.6 | 171.1 | -164.5 | 0 | 0 | 113 | K307 | K307-E311 VanDerWaalsContact CE-OE1 3.25Å; K307-E311 WeakPolarHBondContact CE-OE1 3.33Å; K307-E311 WeakPolarHBondContact O-CG 3.23Å; K307-E311 PolarHBondContact O-N 3.27Å; K307-E311 VanDerWaalsContact O-N 3.16Å |
| 312 | R | 95 | Very high | 94.9 | Very high | 193 Ų | 193 | 71.5 Ų | 71.5 | 73% | 0.728 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -96.1 | -6.2 | 179.2 | -61.2 | -179.4 | -167.3 | 148.7 | 17.6 | 113.5 | E308 Y310 | E308-R312 WeakPolarHBondContact O-CG 3.3Å; E308-R312 PolarHBondContact O-N 3.11Å; E308-R312 IonicContact OE2-CZ 2.95Å; E308-R312 IonicContact OE2-NH1 3.67Å; E308-R312 IonicContact OE2-NH2 3.69Å; E308-R312 PolarHBondContact OE2-NH2 3.05Å; Y310-R312 VanDerWaalsContact C-N 3.27Å; Y310-R312 PolarHBondContact O-N 3.47Å |
| 313 | G | 92.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 69.9 Ų | 69.9 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | trans | -75.4 | 154.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A309 Y310 E317 | A309-G313 WeakPolarHBondContact O-CA 3.29Å; A309-G313 PolarHBondContact O-N 3.26Å; Y310-G313 PolarHBondContact O-N 3.45Å; G313-E317 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 314 | S | 95.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | trans | -67.6 | 164 | 167 | 57.8 | 0 | 0 | 0 | 0 | 112 | D316 E317 Q318 | S314-D316 PolarHBondContact O-N 3.23Å; S314-D316 VanDerWaalsContact O-N 3.14Å; S314-E317 PolarHBondContact N-OE2 2.96Å; S314-E317 PolarHBondContact O-N 3.3Å; S314-E317 WeakPolarHBondContact OG-CG 3.29Å; S314-E317 PolarHBondContact OG-N 3.25Å; S314-E317 PolarHBondContact OG-OE2 3.42Å; S314-Q318 WeakPolarHBondContact O-CG 3.4Å; S314-Q318 PolarHBondContact O-N 2.96Å | ||
| 315 | N | 94.7 | Very high | 95.5 | Very high | 129 Ų | 129 | 60.3 Ų | 60.3 | 69% | 0.69 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.2 | -35.8 | 174.4 | -68.7 | -9.8 | 0 | 0 | 0 | 112.4 | S319 | N315-S319 VanDerWaalsContact O-CB 3.28Å; N315-S319 WeakPolarHBondContact O-CB 3.42Å; N315-S319 PolarHBondContact O-N 2.9Å; N315-S319 PolarHBondContact O-OG 2.97Å |
| 316 | D | 94.5 | Very high | 95.7 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 177.2 | -72.7 | -54.6 | 0 | 0 | 0 | 112.9 | N264 S314 F320 | N264-D316 PolarHBondContact ND2-O 3.07Å; S314-D316 PolarHBondContact O-N 3.23Å; S314-D316 VanDerWaalsContact O-N 3.14Å; D316-F320 WeakPolarHBondContact O-CB 3.41Å; D316-F320 PolarHBondContact O-N 3.41Å |
| 317 | E | 95.6 | Very high | 95.9 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.3 | -40.2 | 176.7 | -70.6 | 168.1 | 133.9 | 0 | 0 | 111.4 | G313 S314 S319 F320 I321 | G313-E317 WeakPolarHBondContact CA-OE2 3.49Å; S314-E317 PolarHBondContact N-OE2 2.96Å; S314-E317 PolarHBondContact O-N 3.3Å; S314-E317 WeakPolarHBondContact OG-CG 3.29Å; S314-E317 PolarHBondContact OG-N 3.25Å; S314-E317 PolarHBondContact OG-OE2 3.42Å; E317-S319 VanDerWaalsContact C-N 3.33Å; E317-F320 WeakPolarHBondContact O-CB 3.37Å; E317-F320 PolarHBondContact O-N 3.11Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å; E317-I321 PolarHBondContact O-N 3.3Å |
| 318 | Q | 96.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173 | -69.1 | -179.2 | -5 | 0 | 0 | 111.2 | Y310 S314 F320 I321 Q322 | Y310-Q318 HydrophobicContact CD1-CG 4.41Å; Y310-Q318 HydrophobicContact CD2-CB 4.17Å; Y310-Q318 HydrophobicContact CD2-CG 3.94Å; Y310-Q318 HydrophobicContact CE1-CG 4.16Å; Y310-Q318 HydrophobicContact CE2-CB 3.53Å; Y310-Q318 HydrophobicContact CE2-CG 3.65Å; Y310-Q318 HydrophobicContact CG-CG 4.3Å; Y310-Q318 PolarHBondContact O-NE2 3.24Å; Y310-Q318 VanDerWaalsContact O-NE2 3.15Å; S314-Q318 WeakPolarHBondContact O-CG 3.4Å; S314-Q318 PolarHBondContact O-N 2.96Å; Q318-F320 VanDerWaalsContact C-N 3.3Å; Q318-F320 PolarHBondContact O-N 2.9Å; Q318-I321 PolarHBondContact O-N 3.46Å; Q318-Q322 PolarHBondContact O-N 2.94Å |
| 319 | S | 96.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -40 | 173.5 | -63 | 0 | 0 | 0 | 0 | 111.8 | N315 E317 Q322 N323 | N315-S319 VanDerWaalsContact O-CB 3.28Å; N315-S319 WeakPolarHBondContact O-CB 3.42Å; N315-S319 PolarHBondContact O-N 2.9Å; N315-S319 PolarHBondContact O-OG 2.97Å; E317-S319 VanDerWaalsContact C-N 3.33Å; S319-Q322 PolarHBondContact O-N 2.97Å; S319-N323 WeakPolarHBondContact O-CB 3.48Å; S319-N323 PolarHBondContact O-N 3.32Å; S319-N323 PolarHBondContact O-ND2 2.91Å |
| 320 | F | 97.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 177 | 174.1 | -109.6 | 0 | 0 | 0 | 111.7 | F257 R263 N264 L267 L296 M299 D316 E317 Q318 Q322 N323 L324 | F257-F320 AromaticContact CE2-CE2 3.76Å; F257-F320 HydrophobicContact CE2-CE2 3.76Å; F257-F320 HydrophobicContact CE2-CZ 4.45Å; F257-F320 HydrophobicContact CZ-CE2 4.18Å; F257-F320 HydrophobicContact CZ-CZ 4.46Å; R263-F320 HydrophobicContact CB-CD2 4.43Å; R263-F320 HydrophobicContact CB-CE2 4.5Å; R263-F320 HydrophobicContact CG-CD2 4Å; R263-F320 HydrophobicContact CG-CE2 4.49Å; N264-F320 WeakPolarHBondContact OD1-CA 3.28Å; N264-F320 WeakPolarHBondContact OD1-CB 3.4Å; N264-F320 PolarHBondContact OD1-N 3.38Å; L267-F320 HydrophobicContact CD2-CD2 3.97Å; L267-F320 HydrophobicContact CD2-CE2 3.92Å; L296-F320 HydrophobicContact CD1-CE1 4.34Å; L296-F320 HydrophobicContact CD1-CZ 3.77Å; M299-F320 HydrophobicContact CE-CE2 3.98Å; M299-F320 HydrophobicContact CE-CZ 3.76Å; D316-F320 WeakPolarHBondContact O-CB 3.41Å; D316-F320 PolarHBondContact O-N 3.41Å; E317-F320 WeakPolarHBondContact O-CB 3.37Å; E317-F320 PolarHBondContact O-N 3.11Å; Q318-F320 VanDerWaalsContact C-N 3.3Å; Q318-F320 PolarHBondContact O-N 2.9Å; F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 PolarHBondContact O-N 3.43Å; F320-N323 PolarHBondContact O-N 3.44Å; F320-L324 HydrophobicContact CD1-CD1 3.97Å; F320-L324 HydrophobicContact CE1-CD1 3.51Å; F320-L324 HydrophobicContact CE1-CG 4.22Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CD2 4.29Å; F320-L324 HydrophobicContact CE2-CG 4.23Å; F320-L324 HydrophobicContact CZ-CD1 3.74Å; F320-L324 HydrophobicContact CZ-CD2 4.12Å; F320-L324 HydrophobicContact CZ-CG 4.06Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.85Å |
| 321 | I | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 177 | -66.5 | 172.9 | 0 | 0 | 0 | 111 | L306 Y310 E317 Q318 L324 A325 L358 V361 I366 | L306-I321 HydrophobicContact CD1-CD1 3.63Å; L306-I321 HydrophobicContact CD1-CG1 3.95Å; L306-I321 HydrophobicContact CD2-CG2 4.26Å; L306-I321 HydrophobicContact CG-CD1 4.26Å; L306-I321 HydrophobicContact CG-CG2 4.39Å; Y310-I321 HydrophobicContact CD2-CB 3.95Å; Y310-I321 HydrophobicContact CD2-CD1 3.71Å; Y310-I321 HydrophobicContact CD2-CG1 4.4Å; Y310-I321 HydrophobicContact CD2-CG2 3.88Å; Y310-I321 HydrophobicContact CE2-CB 4.37Å; Y310-I321 HydrophobicContact CE2-CG2 4.41Å; Y310-I321 HydrophobicContact CG-CD1 4.32Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å; E317-I321 PolarHBondContact O-N 3.3Å; Q318-I321 PolarHBondContact O-N 3.46Å; I321-L324 WeakPolarHBondContact O-CB 3.38Å; I321-L324 PolarHBondContact O-N 2.81Å; I321-A325 PolarHBondContact O-N 3.24Å; I321-L358 HydrophobicContact CG2-CD2 3.46Å; I321-L358 VanDerWaalsContact CG2-CD2 3.46Å; I321-L358 WeakPolarHBondContact O-CD2 3.24Å; I321-V361 HydrophobicContact CG2-CG2 4.31Å; I321-I366 HydrophobicContact CG2-CD1 4.06Å |
| 322 | Q | 97.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 174.4 | -174.4 | 178.8 | 5.3 | 0 | 0 | 112.1 | Q318 S319 F320 L324 A325 I326 I366 I369 | Q318-Q322 PolarHBondContact O-N 2.94Å; S319-Q322 PolarHBondContact O-N 2.97Å; F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 PolarHBondContact O-N 3.43Å; Q322-L324 VanDerWaalsContact C-N 3.25Å; Q322-L324 PolarHBondContact O-N 3.38Å; Q322-A325 WeakPolarHBondContact O-CB 3.16Å; Q322-A325 PolarHBondContact O-N 3.32Å; Q322-A325 VanDerWaalsContact O-N 3.14Å; Q322-I326 HydrophobicContact CG-CD1 4.42Å; Q322-I326 WeakPolarHBondContact O-CG1 3.4Å; Q322-I326 PolarHBondContact O-N 2.92Å; Q322-I326 VanDerWaalsContact O-N 3.07Å; Q322-I366 HydrophobicContact CB-CD1 4.2Å; Q322-I366 HydrophobicContact CB-CG1 4.11Å; Q322-I366 HydrophobicContact CG-CG1 4.23Å; Q322-I369 HydrophobicContact CG-CD1 4.23Å |
| 323 | N | 97.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -31.9 | 177.9 | -67.4 | -35.6 | 0 | 0 | 0 | 111.9 | N264 L267 K268 S319 F320 I326 F327 | N264-N323 PolarHBondContact OD1-ND2 3.39Å; L267-N323 HydrophobicContact CB-CB 4.43Å; L267-N323 HydrophobicContact CD2-CB 3.62Å; L267-N323 HydrophobicContact CG-CB 4.01Å; K268-N323 WeakPolarHBondContact CE-OD1 3.31Å; S319-N323 WeakPolarHBondContact O-CB 3.48Å; S319-N323 PolarHBondContact O-N 3.32Å; S319-N323 PolarHBondContact O-ND2 2.91Å; F320-N323 PolarHBondContact O-N 3.44Å; N323-I326 PolarHBondContact O-N 3.13Å; N323-F327 WeakPolarHBondContact O-CB 3.46Å; N323-F327 PolarHBondContact O-N 2.76Å |
| 324 | L | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 173.6 | -75.2 | 174.3 | 0 | 0 | 0 | 112.1 | L267 L296 L300 F320 I321 Q322 I326 F327 Y328 L358 | L267-L324 HydrophobicContact CD1-CD2 4.34Å; L267-L324 HydrophobicContact CD2-CB 4.39Å; L267-L324 HydrophobicContact CD2-CD2 3.57Å; L267-L324 HydrophobicContact CD2-CG 3.73Å; L296-L324 HydrophobicContact CD1-CD1 3.95Å; L296-L324 HydrophobicContact CD1-CD2 3.68Å; L296-L324 HydrophobicContact CD1-CG 4.48Å; L296-L324 HydrophobicContact CD2-CD1 4.45Å; L296-L324 HydrophobicContact CD2-CD2 3.69Å; L296-L324 HydrophobicContact CG-CD2 4.31Å; L300-L324 HydrophobicContact CD2-CD1 4.01Å; F320-L324 HydrophobicContact CD1-CD1 3.97Å; F320-L324 HydrophobicContact CE1-CD1 3.51Å; F320-L324 HydrophobicContact CE1-CG 4.22Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CD2 4.29Å; F320-L324 HydrophobicContact CE2-CG 4.23Å; F320-L324 HydrophobicContact CZ-CD1 3.74Å; F320-L324 HydrophobicContact CZ-CD2 4.12Å; F320-L324 HydrophobicContact CZ-CG 4.06Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.85Å; I321-L324 WeakPolarHBondContact O-CB 3.38Å; I321-L324 PolarHBondContact O-N 2.81Å; Q322-L324 VanDerWaalsContact C-N 3.25Å; Q322-L324 PolarHBondContact O-N 3.38Å; L324-I326 VanDerWaalsContact C-N 3.33Å; L324-F327 PolarHBondContact O-N 2.92Å; L324-Y328 WeakPolarHBondContact O-CD2 3.46Å; L324-Y328 PolarHBondContact O-N 3.45Å; L324-L358 HydrophobicContact CB-CD1 4.44Å |
| 325 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I321 Q322 T329 L358 I366 I369 | I321-A325 PolarHBondContact O-N 3.24Å; Q322-A325 WeakPolarHBondContact O-CB 3.16Å; Q322-A325 PolarHBondContact O-N 3.32Å; Q322-A325 VanDerWaalsContact O-N 3.14Å; A325-T329 WeakPolarHBondContact O-CB 3.36Å; A325-T329 VanDerWaalsContact O-CG2 3.23Å; A325-T329 WeakPolarHBondContact O-CG2 3.31Å; A325-T329 PolarHBondContact O-N 3.41Å; A325-T329 PolarHBondContact O-OG1 2.81Å; A325-L358 HydrophobicContact CB-CD1 4.09Å; A325-L358 HydrophobicContact CB-CD2 4.35Å; A325-I366 HydrophobicContact CB-CG2 4.26Å; A325-I369 HydrophobicContact CB-CB 4.42Å; A325-I369 HydrophobicContact CB-CG2 3.86Å |
| 326 | I | 97.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 29% | 0.292 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.9 | -52 | 176.3 | -63.2 | 170.1 | 0 | 0 | 0 | 110.3 | A271 Q322 N323 L324 Y328 T329 T330 I369 | A271-I326 HydrophobicContact CB-CG2 4.22Å; Q322-I326 HydrophobicContact CG-CD1 4.42Å; Q322-I326 WeakPolarHBondContact O-CG1 3.4Å; Q322-I326 PolarHBondContact O-N 2.92Å; Q322-I326 VanDerWaalsContact O-N 3.07Å; N323-I326 PolarHBondContact O-N 3.13Å; L324-I326 VanDerWaalsContact C-N 3.33Å; I326-Y328 PolarHBondContact O-N 3.46Å; I326-T329 PolarHBondContact O-N 3.48Å; I326-T329 PolarHBondContact O-OG1 2.87Å; I326-T330 VanDerWaalsContact O-CB 3.24Å; I326-T330 WeakPolarHBondContact O-CB 3.49Å; I326-T330 PolarHBondContact O-N 3Å; I326-T330 PolarHBondContact O-OG1 2.98Å; I326-I369 HydrophobicContact CD1-CD1 4.5Å; I326-I369 HydrophobicContact CG1-CD1 3.96Å; I326-I369 HydrophobicContact CG1-CG2 4.46Å |
| 327 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.8 | -54.1 | -179.9 | 171.4 | -100.8 | 0 | 0 | 0 | 112.8 | L267 L270 A271 A274 T292 N323 L324 F331 | L267-F327 HydrophobicContact CD1-CB 3.81Å; L267-F327 HydrophobicContact CD1-CD1 4.43Å; L267-F327 HydrophobicContact CD1-CD2 4.19Å; L267-F327 HydrophobicContact CD1-CG 3.88Å; L267-F327 HydrophobicContact CG-CB 4.43Å; L270-F327 HydrophobicContact CB-CD2 4.14Å; L270-F327 HydrophobicContact CB-CE2 4.08Å; A271-F327 HydrophobicContact CB-CB 4.19Å; A271-F327 HydrophobicContact CB-CD2 4.4Å; A274-F327 HydrophobicContact CB-CD2 4.27Å; A274-F327 HydrophobicContact CB-CE2 4.08Å; T292-F327 HydrophobicContact CG2-CD1 4.42Å; T292-F327 HydrophobicContact CG2-CE1 3.75Å; T292-F327 HydrophobicContact CG2-CE2 4.2Å; T292-F327 HydrophobicContact CG2-CZ 3.62Å; N323-F327 WeakPolarHBondContact O-CB 3.46Å; N323-F327 PolarHBondContact O-N 2.76Å; L324-F327 PolarHBondContact O-N 2.92Å; F327-F331 WeakPolarHBondContact O-CB 3.45Å; F327-F331 PolarHBondContact O-N 3.45Å |
| 328 | Y | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | -176.8 | -83 | -57.8 | 0 | 0 | 0 | 112.4 | F289 T293 L296 L324 I326 L332 A351 Y354 | F289-Y328 HydrophobicContact CE2-CD1 4.09Å; F289-Y328 AromaticContact CE2-CE1 4Å; F289-Y328 HydrophobicContact CE2-CE1 4Å; T293-Y328 PolarHBondContact OG1-OH 3.25Å; L296-Y328 HydrophobicContact CD2-CE2 3.67Å; L296-Y328 VanDerWaalsContact CD2-OH 3.29Å; L296-Y328 WeakPolarHBondContact CD2-OH 3.46Å; L324-Y328 WeakPolarHBondContact O-CD2 3.46Å; L324-Y328 PolarHBondContact O-N 3.45Å; I326-Y328 PolarHBondContact O-N 3.46Å; Y328-L332 VanDerWaalsContact O-CB 3.28Å; Y328-L332 WeakPolarHBondContact O-CB 3.32Å; Y328-L332 WeakPolarHBondContact O-CD1 3.33Å; Y328-L332 WeakPolarHBondContact O-CG 3.3Å; Y328-L332 PolarHBondContact O-N 2.99Å; Y328-A351 HydrophobicContact CD1-CB 3.75Å; Y328-A351 HydrophobicContact CE1-CB 3.5Å; Y328-A351 VanDerWaalsContact CE1-CB 3.5Å; Y328-Y354 AromaticContact CE2-CD2 3.98Å; Y328-Y354 HydrophobicContact CE2-CD2 3.98Å; Y328-Y354 HydrophobicContact CE2-CG 4.04Å; Y328-Y354 AromaticContact CZ-CD2 3.89Å; Y328-Y354 WeakPolarHBondContact OH-CD2 3.35Å |
| 329 | T | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.3 | -38.7 | -179 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | A325 I326 K333 L355 I369 Y373 | A325-T329 WeakPolarHBondContact O-CB 3.36Å; A325-T329 VanDerWaalsContact O-CG2 3.23Å; A325-T329 WeakPolarHBondContact O-CG2 3.31Å; A325-T329 PolarHBondContact O-N 3.41Å; A325-T329 PolarHBondContact O-OG1 2.81Å; I326-T329 PolarHBondContact O-N 3.48Å; I326-T329 PolarHBondContact O-OG1 2.87Å; T329-K333 WeakPolarHBondContact O-CB 3.34Å; T329-K333 WeakPolarHBondContact O-CG 3.38Å; T329-K333 PolarHBondContact O-N 3.28Å; T329-L355 HydrophobicContact CG2-CD2 3.82Å; T329-I369 HydrophobicContact CG2-CG2 4.04Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.45Å; T329-Y373 HydrophobicContact CG2-CG 4.23Å |
| 330 | T | 97 | Very high | 95.3 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 26% | 0.258 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.4 | -52.4 | 173.9 | -64 | 0 | 0 | 0 | 0 | 111.1 | G275 I326 L332 K333 G334 | G275-T330 VanDerWaalsContact CA-CG2 3.42Å; I326-T330 VanDerWaalsContact O-CB 3.24Å; I326-T330 WeakPolarHBondContact O-CB 3.49Å; I326-T330 PolarHBondContact O-N 3Å; I326-T330 PolarHBondContact O-OG1 2.98Å; T330-L332 PolarHBondContact O-N 3.43Å; T330-K333 PolarHBondContact O-N 2.69Å; T330-G334 PolarHBondContact O-N 2.93Å |
| 331 | F | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 179.8 | -172.8 | -85.8 | 0 | 0 | 0 | 111.6 | A274 L285 F289 F327 K333 G334 H335 V339 | A274-F331 HydrophobicContact CB-CB 3.96Å; A274-F331 HydrophobicContact CB-CD2 3.83Å; A274-F331 HydrophobicContact CB-CG 4.41Å; L285-F331 HydrophobicContact CB-CE2 4.34Å; L285-F331 VanDerWaalsContact O-CE2 3.31Å; L285-F331 WeakPolarHBondContact O-CE2 3.45Å; F289-F331 HydrophobicContact CB-CD1 4.38Å; F289-F331 HydrophobicContact CB-CD2 4.24Å; F289-F331 HydrophobicContact CB-CE1 3.83Å; F289-F331 HydrophobicContact CB-CE2 3.68Å; F289-F331 HydrophobicContact CB-CZ 3.45Å; F289-F331 VanDerWaalsContact CB-CZ 3.45Å; F289-F331 HydrophobicContact CD1-CE1 4.5Å; F289-F331 AromaticContact CD2-CD1 3.34Å; F289-F331 HydrophobicContact CD2-CD1 3.34Å; F289-F331 HydrophobicContact CD2-CD2 4.24Å; F289-F331 AromaticContact CD2-CE1 3.46Å; F289-F331 HydrophobicContact CD2-CE1 3.46Å; F289-F331 VanDerWaalsContact CD2-CE1 3.46Å; F289-F331 HydrophobicContact CD2-CE2 4.34Å; F289-F331 AromaticContact CD2-CG 3.77Å; F289-F331 HydrophobicContact CD2-CG 3.77Å; F289-F331 AromaticContact CD2-CZ 3.99Å; F289-F331 HydrophobicContact CD2-CZ 3.99Å; F289-F331 AromaticContact CE2-CD1 3.79Å; F289-F331 HydrophobicContact CE2-CD1 3.79Å; F289-F331 HydrophobicContact CE2-CE1 4.09Å; F289-F331 HydrophobicContact CE2-CG 4.45Å; F289-F331 HydrophobicContact CG-CD1 4.06Å; F289-F331 AromaticContact CG-CE1 3.69Å; F289-F331 HydrophobicContact CG-CE1 3.69Å; F289-F331 HydrophobicContact CG-CE2 4.38Å; F289-F331 AromaticContact CG-CZ 3.87Å; F289-F331 HydrophobicContact CG-CZ 3.87Å; F327-F331 WeakPolarHBondContact O-CB 3.45Å; F327-F331 PolarHBondContact O-N 3.45Å; F331-K333 PolarHBondContact O-N 2.76Å; F331-G334 PolarHBondContact O-N 2.91Å; F331-H335 HydrophobicContact CD1-CB 4.38Å; F331-H335 HydrophobicContact CE1-CB 3.96Å; F331-H335 HydrophobicContact CE2-CB 4.31Å; F331-H335 HydrophobicContact CZ-CB 3.92Å; F331-H335 WeakPolarHBondContact O-CB 3.39Å; F331-H335 PolarHBondContact O-N 2.98Å; F331-V339 HydrophobicContact CE1-CG1 3.73Å; F331-V339 HydrophobicContact CE1-CG2 4.25Å; F331-V339 HydrophobicContact CZ-CG1 4.13Å |
| 332 | L | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.1 | -26.7 | -174.4 | -66.8 | 168.5 | 0 | 0 | 0 | 113 | F289 Y328 T330 S336 V339 L348 Y352 L355 Y373 | F289-L332 HydrophobicContact CE2-CD2 4.45Å; Y328-L332 VanDerWaalsContact O-CB 3.28Å; Y328-L332 WeakPolarHBondContact O-CB 3.32Å; Y328-L332 WeakPolarHBondContact O-CD1 3.33Å; Y328-L332 WeakPolarHBondContact O-CG 3.3Å; Y328-L332 PolarHBondContact O-N 2.99Å; T330-L332 PolarHBondContact O-N 3.43Å; L332-S336 VanDerWaalsContact O-CB 3.25Å; L332-S336 WeakPolarHBondContact O-CB 3.28Å; L332-S336 PolarHBondContact O-N 2.91Å; L332-V339 HydrophobicContact CD2-CG2 4.11Å; L332-L348 HydrophobicContact CD2-CD1 3.63Å; L332-Y352 HydrophobicContact CD1-CE1 4.18Å; L332-L355 HydrophobicContact CD1-CD1 3.53Å; L332-Y373 HydrophobicContact CB-CD2 4Å; L332-Y373 HydrophobicContact CB-CE1 4.34Å; L332-Y373 HydrophobicContact CB-CE2 3.27Å; L332-Y373 VanDerWaalsContact CB-CZ 3.47Å; L332-Y373 HydrophobicContact CD1-CE1 3.9Å; L332-Y373 HydrophobicContact CD1-CE2 4.34Å; L332-Y373 HydrophobicContact CG-CE2 4.41Å |
| 333 | K | 95 | Very high | 93.8 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 172.3 | -77.7 | 174.5 | -169.6 | 175.3 | 0 | 112.1 | T329 T330 F331 E372 Y373 I376 | T329-K333 WeakPolarHBondContact O-CB 3.34Å; T329-K333 WeakPolarHBondContact O-CG 3.38Å; T329-K333 PolarHBondContact O-N 3.28Å; T330-K333 PolarHBondContact O-N 2.69Å; F331-K333 PolarHBondContact O-N 2.76Å; K333-E372 IonicContact NZ-OE1 2.76Å; K333-E372 PolarHBondContact NZ-OE1 2.93Å; K333-E372 IonicContact NZ-OE2 3.13Å; K333-E372 PolarHBondContact NZ-OE2 3.46Å; K333-Y373 HydrophobicContact CG-CD2 4Å; K333-I376 HydrophobicContact CD-CD1 4.06Å; K333-I376 HydrophobicContact CG-CD1 3.86Å |
| 334 | G | 91.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -85.9 | -33.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T330 F331 | T330-G334 PolarHBondContact O-N 2.93Å; F331-G334 PolarHBondContact O-N 2.91Å |
| 335 | H | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -136.4 | 20.2 | -160.8 | -54.1 | -61.6 | 0 | 0 | 0 | 114.6 | A274 V276 F331 S337 L338 | A274-H335 PolarHBondContact O-CD2 3.24Å; A274-H335 VanDerWaalsContact O-CD2 3.29Å; A274-H335 PolarHBondContact O-NE2 3.17Å; V276-H335 PolarHBondContact O-CE1 2.98Å; V276-H335 PolarHBondContact O-NE2 3Å; F331-H335 HydrophobicContact CD1-CB 4.38Å; F331-H335 HydrophobicContact CE1-CB 3.96Å; F331-H335 HydrophobicContact CE2-CB 4.31Å; F331-H335 HydrophobicContact CZ-CB 3.92Å; F331-H335 WeakPolarHBondContact O-CB 3.39Å; F331-H335 PolarHBondContact O-N 2.98Å; H335-S337 PolarHBondContact O-N 3.43Å; H335-L338 HydrophobicContact CB-CD1 3.98Å; H335-L338 HydrophobicContact CB-CG 4.23Å; H335-L338 WeakPolarHBondContact O-CB 3.36Å; H335-L338 PolarHBondContact O-N 3.05Å |
| 336 | S | 91.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.2 | -41.4 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | L332 L338 V339 E340 | L332-S336 VanDerWaalsContact O-CB 3.25Å; L332-S336 WeakPolarHBondContact O-CB 3.28Å; L332-S336 PolarHBondContact O-N 2.91Å; S336-L338 PolarHBondContact O-N 3.04Å; S336-L338 VanDerWaalsContact O-N 3.17Å; S336-V339 VanDerWaalsContact O-CG2 3.24Å; S336-V339 WeakPolarHBondContact O-CG2 3.4Å; S336-V339 PolarHBondContact O-N 2.96Å; S336-V339 VanDerWaalsContact O-N 3.09Å; S336-E340 VanDerWaalsContact O-CG 3.32Å; S336-E340 WeakPolarHBondContact O-CG 3.48Å; S336-E340 PolarHBondContact O-N 3.44Å; S336-E340 VanDerWaalsContact O-N 3.11Å |
| 337 | S | 90.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 39.9 Ų | 39.9 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -57.2 | -30.8 | 179.6 | 54 | 0 | 0 | 0 | 0 | 113.3 | H335 V339 | H335-S337 PolarHBondContact O-N 3.43Å; S337-V339 VanDerWaalsContact C-N 3.34Å; S337-V339 PolarHBondContact O-N 2.97Å |
| 338 | L | 92.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -31.5 | -179.8 | -57.3 | -172.3 | 0 | 0 | 0 | 112.4 | E282 L285 V286 H335 S336 | E282-L338 HydrophobicContact CB-CD1 4.08Å; E282-L338 HydrophobicContact CB-CD2 4.2Å; E282-L338 VanDerWaalsContact CD-CD2 3.41Å; E282-L338 HydrophobicContact CG-CD1 3.93Å; E282-L338 HydrophobicContact CG-CD2 3.66Å; E282-L338 HydrophobicContact CG-CG 4.48Å; L285-L338 HydrophobicContact CB-CD1 4.28Å; L285-L338 HydrophobicContact CD1-CD1 4.32Å; V286-L338 HydrophobicContact CG2-CB 4.02Å; H335-L338 HydrophobicContact CB-CD1 3.98Å; H335-L338 HydrophobicContact CB-CG 4.23Å; H335-L338 WeakPolarHBondContact O-CB 3.36Å; H335-L338 PolarHBondContact O-N 3.05Å; S336-L338 PolarHBondContact O-N 3.04Å; S336-L338 VanDerWaalsContact O-N 3.17Å |
| 339 | V | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -101.8 | -2.9 | -177 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | F289 F331 L332 S336 S337 K341 L344 L348 | F289-V339 HydrophobicContact CD1-CG1 3.66Å; F289-V339 HydrophobicContact CE1-CB 4.32Å; F289-V339 HydrophobicContact CE1-CG1 3.9Å; F289-V339 HydrophobicContact CG-CG1 4.12Å; F331-V339 HydrophobicContact CE1-CG1 3.73Å; F331-V339 HydrophobicContact CE1-CG2 4.25Å; F331-V339 HydrophobicContact CZ-CG1 4.13Å; L332-V339 HydrophobicContact CD2-CG2 4.11Å; S336-V339 VanDerWaalsContact O-CG2 3.24Å; S336-V339 WeakPolarHBondContact O-CG2 3.4Å; S336-V339 PolarHBondContact O-N 2.96Å; S336-V339 VanDerWaalsContact O-N 3.09Å; S337-V339 VanDerWaalsContact C-N 3.34Å; S337-V339 PolarHBondContact O-N 2.97Å; V339-K341 PolarHBondContact O-N 3.11Å; V339-L344 HydrophobicContact CG1-CD1 4.46Å; V339-L348 HydrophobicContact CG2-CD1 3.94Å; V339-L348 HydrophobicContact CG2-CD2 4.44Å |
| 340 | E | 88.1 | Confident | 91.4 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | -80.1 | 6.9 | 172.1 | -75.4 | -170.6 | 146.3 | 0 | 0 | 114 | S336 L348 R403 Y407 | S336-E340 VanDerWaalsContact O-CG 3.32Å; S336-E340 WeakPolarHBondContact O-CG 3.48Å; S336-E340 PolarHBondContact O-N 3.44Å; S336-E340 VanDerWaalsContact O-N 3.11Å; E340-L348 HydrophobicContact CG-CD2 3.68Å; E340-R403 VanDerWaalsContact CD-NE 3.29Å; E340-R403 VanDerWaalsContact CD-NH2 3.34Å; E340-R403 IonicContact OE1-CZ 2.75Å; E340-R403 IonicContact OE1-NE 3.71Å; E340-R403 PolarHBondContact OE1-NE 2.84Å; E340-R403 IonicContact OE1-NH2 3.69Å; E340-R403 PolarHBondContact OE1-NH2 2.92Å; E340-R403 IonicContact OE2-CZ 2.59Å; E340-R403 IonicContact OE2-NE 2.78Å; E340-R403 PolarHBondContact OE2-NE 3.42Å; E340-R403 IonicContact OE2-NH2 2.92Å; E340-R403 PolarHBondContact OE2-NH2 3.04Å; E340-Y407 WeakPolarHBondContact CG-OH 3.42Å; E340-Y407 PolarHBondContact OE1-OH 3.13Å | ||
| 341 | K | 86.6 | Confident | 91.3 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -68.9 | 142.9 | 175 | -63.2 | 177.1 | -175.4 | 173 | 0 | 110.6 | V339 E343 L344 I345 | V339-K341 PolarHBondContact O-N 3.11Å; K341-E343 HydrophobicContact CB-CG 4.22Å; K341-E343 PolarHBondContact O-N 3.48Å; K341-L344 PolarHBondContact O-N 3.03Å; K341-I345 PolarHBondContact O-N 2.96Å |
| 342 | P | 84.9 | Confident | 91.2 | Very high | 118 Ų | 118 | 43.2 Ų | 43.2 | 77% | 0.766 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.9 | -178.6 | -28.1 | 34.7 | 0 | 0 | 0 | 114.8 | I345 | P342-I345 WeakPolarHBondContact O-CG2 3.47Š|
| 343 | E | 88.7 | Confident | 91.1 | Very high | 138 Ų | 138 | 44.6 Ų | 44.6 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -21.4 | 179.3 | 68.4 | -156.8 | 164.9 | 0 | 0 | 114.1 | K341 W346 | K341-E343 HydrophobicContact CB-CG 4.22Å; K341-E343 PolarHBondContact O-N 3.48Å; E343-W346 PolarHBondContact O-NE1 2.88Å |
| 344 | L | 90.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -2.3 | -177.9 | -65.3 | 175.5 | 0 | 0 | 0 | 113.4 | V286 V290 V339 K341 W346 K347 L348 | V286-L344 HydrophobicContact CG1-CD1 3.61Å; V286-L344 HydrophobicContact CG1-CD2 4.4Å; V286-L344 HydrophobicContact CG2-CD1 4.32Å; V290-L344 HydrophobicContact CG2-CD2 3.86Å; V339-L344 HydrophobicContact CG1-CD1 4.46Å; K341-L344 PolarHBondContact O-N 3.03Å; L344-W346 PolarHBondContact O-N 2.91Å; L344-W346 VanDerWaalsContact O-N 3.1Å; L344-K347 WeakPolarHBondContact O-CA 3.41Å; L344-K347 VanDerWaalsContact O-CB 3.31Å; L344-K347 WeakPolarHBondContact O-CB 3.18Å; L344-K347 PolarHBondContact O-N 3.37Å; L344-L348 PolarHBondContact O-N 2.92Å; L344-L348 VanDerWaalsContact O-N 3.11Å |
| 345 | I | 87.3 | Confident | 91.5 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -35.4 | -171.9 | -168.8 | 59.1 | 0 | 0 | 0 | 113.9 | K341 P342 L348 Q349 Q406 Y407 | K341-I345 PolarHBondContact O-N 2.96Å; P342-I345 WeakPolarHBondContact O-CG2 3.47Å; I345-L348 HydrophobicContact CD1-CD2 4.18Å; I345-L348 PolarHBondContact O-N 2.93Å; I345-Q349 WeakPolarHBondContact O-CG 3.4Å; I345-Q349 PolarHBondContact O-N 3.32Å; I345-Q406 HydrophobicContact CD1-CG 4.32Å; I345-Q406 VanDerWaalsContact CG1-NE2 3.28Å; I345-Y407 HydrophobicContact CD1-CE1 4.24Å |
| 346 | W | 87.6 | Confident | 91.6 | Very high | 125 Ų | 125 | 39.9 Ų | 39.9 | 47% | 0.473 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.2 | -34.7 | 178.6 | 60.6 | -83.9 | 0 | 0 | 0 | 111.8 | E343 L344 Q349 D350 | E343-W346 PolarHBondContact O-NE1 2.88Å; L344-W346 PolarHBondContact O-N 2.91Å; L344-W346 VanDerWaalsContact O-N 3.1Å; W346-Q349 WeakPolarHBondContact O-CB 3.38Å; W346-Q349 PolarHBondContact O-N 3.25Å; W346-D350 VanDerWaalsContact O-CG 3.24Å; W346-D350 PolarHBondContact O-N 3.34Å |
| 347 | K | 90.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 171.9 | -67.3 | -62.4 | -158.2 | -159.5 | 0 | 111.8 | F289 V290 D294 L344 Q349 D350 A351 | F289-K347 HydrophobicContact CE1-CB 4.08Å; V290-K347 HydrophobicContact CG2-CG 4.45Å; D294-K347 IonicContact OD1-NZ 3.9Å; D294-K347 PolarHBondContact OD1-NZ 2.88Å; D294-K347 IonicContact OD2-NZ 3.23Å; D294-K347 PolarHBondContact OD2-NZ 3.36Å; L344-K347 WeakPolarHBondContact O-CA 3.41Å; L344-K347 VanDerWaalsContact O-CB 3.31Å; L344-K347 WeakPolarHBondContact O-CB 3.18Å; L344-K347 PolarHBondContact O-N 3.37Å; K347-Q349 VanDerWaalsContact C-N 3.3Å; K347-Q349 PolarHBondContact O-N 3.2Å; K347-D350 WeakPolarHBondContact O-CB 3.07Å; K347-D350 PolarHBondContact O-N 3.15Å; K347-A351 PolarHBondContact O-N 3.46Å |
| 348 | L | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.4 | -179.4 | 57.2 | 0 | 0 | 0 | 111.2 | L332 V339 E340 L344 I345 D350 A351 Y352 Y407 | L332-L348 HydrophobicContact CD2-CD1 3.63Å; V339-L348 HydrophobicContact CG2-CD1 3.94Å; V339-L348 HydrophobicContact CG2-CD2 4.44Å; E340-L348 HydrophobicContact CG-CD2 3.68Å; L344-L348 PolarHBondContact O-N 2.92Å; L344-L348 VanDerWaalsContact O-N 3.11Å; I345-L348 HydrophobicContact CD1-CD2 4.18Å; I345-L348 PolarHBondContact O-N 2.93Å; L348-D350 VanDerWaalsContact C-N 3.32Å; L348-D350 PolarHBondContact O-N 3.02Å; L348-A351 PolarHBondContact O-N 3.43Å; L348-Y352 HydrophobicContact CD1-CD2 4.13Å; L348-Y352 HydrophobicContact CD1-CE1 4.1Å; L348-Y352 HydrophobicContact CD1-CE2 3.64Å; L348-Y352 HydrophobicContact CD2-CE2 3.89Å; L348-Y352 HydrophobicContact CG-CD2 3.92Å; L348-Y352 HydrophobicContact CG-CE2 3.46Å; L348-Y352 VanDerWaalsContact CG-CE2 3.46Å; L348-Y352 WeakPolarHBondContact O-CD2 3.23Å; L348-Y352 PolarHBondContact O-N 3.28Å; L348-Y407 HydrophobicContact CD2-CE1 4.26Å; L348-Y407 VanDerWaalsContact CD2-OH 3.3Å; L348-Y407 WeakPolarHBondContact CD2-OH 3.21Å |
| 349 | Q | 91.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 35.2 Ų | 35.2 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 173.1 | -74.4 | 175.7 | -14.8 | 0 | 0 | 112.6 | I345 W346 K347 Y352 A353 | I345-Q349 WeakPolarHBondContact O-CG 3.4Å; I345-Q349 PolarHBondContact O-N 3.32Å; W346-Q349 WeakPolarHBondContact O-CB 3.38Å; W346-Q349 PolarHBondContact O-N 3.25Å; K347-Q349 VanDerWaalsContact C-N 3.3Å; K347-Q349 PolarHBondContact O-N 3.2Å; Q349-Y352 PolarHBondContact O-N 3.42Å; Q349-A353 WeakPolarHBondContact O-CB 3.28Å; Q349-A353 PolarHBondContact O-N 3.03Å |
| 350 | D | 92.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 174.3 | -62.3 | -45.4 | 0 | 0 | 0 | 111.8 | T293 K297 L302 W346 K347 L348 Y352 A353 Y354 | T293-D350 HydrophobicContact CG2-CB 4.2Å; K297-D350 VanDerWaalsContact CE-OD1 3.25Å; K297-D350 WeakPolarHBondContact CE-OD1 3.49Å; K297-D350 WeakPolarHBondContact CE-OD2 3.46Å; K297-D350 IonicContact NZ-OD1 3.65Å; K297-D350 PolarHBondContact NZ-OD1 3.46Å; K297-D350 IonicContact NZ-OD2 2.66Å; K297-D350 PolarHBondContact NZ-OD2 2.94Å; L302-D350 HydrophobicContact CD1-CB 4.49Å; W346-D350 VanDerWaalsContact O-CG 3.24Å; W346-D350 PolarHBondContact O-N 3.34Å; K347-D350 WeakPolarHBondContact O-CB 3.07Å; K347-D350 PolarHBondContact O-N 3.15Å; L348-D350 VanDerWaalsContact C-N 3.32Å; L348-D350 PolarHBondContact O-N 3.02Å; D350-Y352 VanDerWaalsContact C-N 3.34Å; D350-Y352 PolarHBondContact O-N 3.41Å; D350-A353 WeakPolarHBondContact O-CB 3.37Å; D350-A353 PolarHBondContact O-N 3.3Å; D350-A353 VanDerWaalsContact O-N 3.12Å; D350-Y354 VanDerWaalsContact O-CD2 3.25Å; D350-Y354 WeakPolarHBondContact O-CD2 3.34Å; D350-Y354 PolarHBondContact O-N 3.44Å |
| 351 | A | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F289 Y328 K347 L348 A353 Y354 L355 | F289-A351 HydrophobicContact CE2-CB 4.04Å; F289-A351 HydrophobicContact CZ-CB 3.57Å; Y328-A351 HydrophobicContact CD1-CB 3.75Å; Y328-A351 HydrophobicContact CE1-CB 3.5Å; Y328-A351 VanDerWaalsContact CE1-CB 3.5Å; K347-A351 PolarHBondContact O-N 3.46Å; L348-A351 PolarHBondContact O-N 3.43Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.31Å; A351-Y354 PolarHBondContact O-N 2.73Å; A351-L355 PolarHBondContact O-N 3.26Å |
| 352 | Y | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -34.7 | 173.2 | -70.3 | -37 | 0 | 0 | 0 | 112.9 | L332 L348 Q349 D350 L355 L356 Y373 W374 L377 Y407 I410 | L332-Y352 HydrophobicContact CD1-CE1 4.18Å; L348-Y352 HydrophobicContact CD1-CD2 4.13Å; L348-Y352 HydrophobicContact CD1-CE1 4.1Å; L348-Y352 HydrophobicContact CD1-CE2 3.64Å; L348-Y352 HydrophobicContact CD2-CE2 3.89Å; L348-Y352 HydrophobicContact CG-CD2 3.92Å; L348-Y352 HydrophobicContact CG-CE2 3.46Å; L348-Y352 VanDerWaalsContact CG-CE2 3.46Å; L348-Y352 WeakPolarHBondContact O-CD2 3.23Å; L348-Y352 PolarHBondContact O-N 3.28Å; Q349-Y352 PolarHBondContact O-N 3.42Å; D350-Y352 VanDerWaalsContact C-N 3.34Å; D350-Y352 PolarHBondContact O-N 3.41Å; Y352-L355 HydrophobicContact CD1-CD1 4.3Å; Y352-L355 PolarHBondContact O-N 3.13Å; Y352-L356 WeakPolarHBondContact O-CB 3.34Å; Y352-L356 VanDerWaalsContact O-CG 3.28Å; Y352-L356 WeakPolarHBondContact O-CG 3.43Å; Y352-L356 PolarHBondContact O-N 3.05Å; Y352-Y373 HydrophobicContact CD1-CE1 4.44Å; Y352-Y373 AromaticContact CE1-CE1 3.83Å; Y352-Y373 HydrophobicContact CE1-CE1 3.83Å; Y352-Y373 WeakPolarHBondContact CE1-OH 3.24Å; Y352-Y373 PolarHBondContact OH-OH 3.38Å; Y352-W374 AromaticContact CD1-CH2 3.96Å; Y352-W374 HydrophobicContact CD1-CH2 3.96Å; Y352-W374 HydrophobicContact CD1-CZ3 4.02Å; Y352-W374 HydrophobicContact CE1-CZ3 4.36Å; Y352-L377 HydrophobicContact CE1-CD2 4.07Å; Y352-Y407 HydrophobicContact CD2-CD1 4.33Å; Y352-Y407 HydrophobicContact CD2-CE1 4.3Å; Y352-Y407 AromaticContact CE2-CD1 3.86Å; Y352-Y407 HydrophobicContact CE2-CD1 3.86Å; Y352-Y407 AromaticContact CE2-CE1 3.55Å; Y352-Y407 HydrophobicContact CE2-CE1 3.55Å; Y352-Y407 AromaticContact CE2-CZ 3.96Å; Y352-I410 HydrophobicContact CD2-CD1 3.48Å; Y352-I410 VanDerWaalsContact CD2-CD1 3.48Å; Y352-I410 HydrophobicContact CE2-CD1 4.41Å; Y352-I410 HydrophobicContact CG-CD1 3.96Å; Y352-I410 HydrophobicContact CG-CG2 4.4Å |
| 353 | A | 95.2 | Very high | 93.7 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 25% | 0.248 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L302 Q349 D350 A351 L356 M357 | L302-A353 HydrophobicContact CD2-CB 3.85Å; Q349-A353 WeakPolarHBondContact O-CB 3.28Å; Q349-A353 PolarHBondContact O-N 3.03Å; D350-A353 WeakPolarHBondContact O-CB 3.37Å; D350-A353 PolarHBondContact O-N 3.3Å; D350-A353 VanDerWaalsContact O-N 3.12Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.31Å; A353-L356 PolarHBondContact O-N 2.98Å; A353-M357 VanDerWaalsContact O-CG 3.29Å; A353-M357 WeakPolarHBondContact O-CG 3.28Å; A353-M357 PolarHBondContact O-N 3.25Å |
| 354 | Y | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 172.8 | -76.2 | -62 | 0 | 0 | 0 | 112.6 | L296 K297 L300 L302 Y328 D350 A351 L356 M357 L358 | L296-Y354 HydrophobicContact CD2-CD1 4.19Å; L296-Y354 HydrophobicContact CD2-CD2 3.92Å; L296-Y354 HydrophobicContact CD2-CE1 4Å; L296-Y354 HydrophobicContact CD2-CE2 3.71Å; L296-Y354 HydrophobicContact CD2-CG 4.16Å; L296-Y354 HydrophobicContact CG-CE1 4.21Å; L296-Y354 HydrophobicContact CG-CE2 4.16Å; K297-Y354 VanDerWaalsContact CA-OH 3.3Å; K297-Y354 WeakPolarHBondContact CA-OH 3.25Å; K297-Y354 HydrophobicContact CG-CE2 4.29Å; K297-Y354 WeakPolarHBondContact CG-OH 3.29Å; L300-Y354 HydrophobicContact CB-CE1 4.44Å; L300-Y354 HydrophobicContact CD2-CD1 4.28Å; L300-Y354 HydrophobicContact CD2-CE1 3.97Å; L300-Y354 HydrophobicContact CG-CE1 4.13Å; L300-Y354 WeakPolarHBondContact O-CE1 3.2Å; L300-Y354 PolarHBondContact O-OH 2.93Å; L302-Y354 HydrophobicContact CD2-CD1 3.84Å; L302-Y354 HydrophobicContact CD2-CD2 3.87Å; L302-Y354 HydrophobicContact CD2-CE1 3.63Å; L302-Y354 HydrophobicContact CD2-CE2 3.67Å; L302-Y354 HydrophobicContact CD2-CG 3.95Å; L302-Y354 HydrophobicContact CG-CE1 4.44Å; L302-Y354 HydrophobicContact CG-CE2 4.38Å; Y328-Y354 AromaticContact CE2-CD2 3.98Å; Y328-Y354 HydrophobicContact CE2-CD2 3.98Å; Y328-Y354 HydrophobicContact CE2-CG 4.04Å; Y328-Y354 AromaticContact CZ-CD2 3.89Å; Y328-Y354 WeakPolarHBondContact OH-CD2 3.35Å; D350-Y354 VanDerWaalsContact O-CD2 3.25Å; D350-Y354 WeakPolarHBondContact O-CD2 3.34Å; D350-Y354 PolarHBondContact O-N 3.44Å; A351-Y354 PolarHBondContact O-N 2.73Å; Y354-L356 VanDerWaalsContact C-N 3.29Å; Y354-L356 PolarHBondContact O-N 3.36Å; Y354-M357 HydrophobicContact CD1-SD 4.32Å; Y354-M357 WeakPolarHBondContact O-CB 3.24Å; Y354-M357 PolarHBondContact O-N 3.09Å; Y354-M357 VanDerWaalsContact O-N 3.15Å; Y354-L358 WeakPolarHBondContact O-CB 3.22Å; Y354-L358 VanDerWaalsContact O-CG 3.27Å; Y354-L358 WeakPolarHBondContact O-CG 3.41Å; Y354-L358 PolarHBondContact O-N 3.23Å |
| 355 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 177.3 | -78.5 | 177.9 | 0 | 0 | 0 | 112.7 | T329 L332 A351 Y352 L358 S359 Y373 W374 | T329-L355 HydrophobicContact CG2-CD2 3.82Å; L332-L355 HydrophobicContact CD1-CD1 3.53Å; A351-L355 PolarHBondContact O-N 3.26Å; Y352-L355 HydrophobicContact CD1-CD1 4.3Å; Y352-L355 PolarHBondContact O-N 3.13Å; L355-L358 HydrophobicContact CD2-CD1 4.19Å; L355-L358 PolarHBondContact O-N 3.22Å; L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 2.89Å; L355-S359 PolarHBondContact O-OG 3.04Å; L355-Y373 HydrophobicContact CD1-CD1 3.64Å; L355-Y373 HydrophobicContact CD1-CE1 3.69Å; L355-W374 HydrophobicContact CB-CH2 3.96Å; L355-W374 HydrophobicContact CB-CZ2 3.5Å; L355-W374 VanDerWaalsContact CB-CZ2 3.5Å; L355-W374 HydrophobicContact CD1-CH2 4.44Å; L355-W374 HydrophobicContact CD1-CZ2 4.48Å |
| 356 | L | 97.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.3 | -74 | 170.4 | 0 | 0 | 0 | 111.2 | Y352 A353 Y354 L358 S359 E360 W374 I410 K413 L414 I417 | Y352-L356 WeakPolarHBondContact O-CB 3.34Å; Y352-L356 VanDerWaalsContact O-CG 3.28Å; Y352-L356 WeakPolarHBondContact O-CG 3.43Å; Y352-L356 PolarHBondContact O-N 3.05Å; A353-L356 PolarHBondContact O-N 2.98Å; Y354-L356 VanDerWaalsContact C-N 3.29Å; Y354-L356 PolarHBondContact O-N 3.36Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.36Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.18Å; L356-S359 VanDerWaalsContact O-N 3.15Å; L356-E360 PolarHBondContact O-N 3.31Å; L356-W374 HydrophobicContact CD2-CH2 4.34Å; L356-W374 HydrophobicContact CD2-CZ2 3.94Å; L356-W374 HydrophobicContact CG-CH2 4.25Å; L356-W374 HydrophobicContact CG-CZ2 4.01Å; L356-I410 HydrophobicContact CD1-CG2 4.12Å; L356-K413 HydrophobicContact CD1-CB 3.87Å; L356-K413 HydrophobicContact CD1-CD 3.78Å; L356-K413 HydrophobicContact CD1-CG 4.48Å; L356-K413 HydrophobicContact CD2-CB 4.05Å; L356-L414 HydrophobicContact CD2-CB 4.11Å; L356-L414 HydrophobicContact CD2-CD1 4.45Å; L356-I417 HydrophobicContact CB-CD1 4.42Å; L356-I417 HydrophobicContact CD2-CD1 3.8Å |
| 357 | M | 96.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.8 | -67.2 | 166.2 | 59.3 | 0 | 0 | 112 | L302 T304 L306 A353 Y354 S359 E360 | L302-M357 HydrophobicContact CD2-SD 4.12Å; T304-M357 WeakPolarHBondContact O-CE 3.38Å; L306-M357 HydrophobicContact CB-CB 4.04Å; L306-M357 HydrophobicContact CB-CE 3.99Å; L306-M357 HydrophobicContact CD2-CB 3.92Å; A353-M357 VanDerWaalsContact O-CG 3.29Å; A353-M357 WeakPolarHBondContact O-CG 3.28Å; A353-M357 PolarHBondContact O-N 3.25Å; Y354-M357 HydrophobicContact CD1-SD 4.32Å; Y354-M357 WeakPolarHBondContact O-CB 3.24Å; Y354-M357 PolarHBondContact O-N 3.09Å; Y354-M357 VanDerWaalsContact O-N 3.15Å; M357-S359 VanDerWaalsContact C-N 3.31Å; M357-S359 PolarHBondContact O-N 2.97Å; M357-E360 PolarHBondContact O-N 2.98Å |
| 358 | L | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 175.5 | -72.1 | 163.4 | 0 | 0 | 0 | 111.6 | L306 I321 L324 A325 Y354 L355 L356 E360 V361 I366 | L306-L358 HydrophobicContact CD2-CD2 3.65Å; L306-L358 HydrophobicContact CD2-CG 3.86Å; I321-L358 HydrophobicContact CG2-CD2 3.46Å; I321-L358 VanDerWaalsContact CG2-CD2 3.46Å; I321-L358 WeakPolarHBondContact O-CD2 3.24Å; L324-L358 HydrophobicContact CB-CD1 4.44Å; A325-L358 HydrophobicContact CB-CD1 4.09Å; A325-L358 HydrophobicContact CB-CD2 4.35Å; Y354-L358 WeakPolarHBondContact O-CB 3.22Å; Y354-L358 VanDerWaalsContact O-CG 3.27Å; Y354-L358 WeakPolarHBondContact O-CG 3.41Å; Y354-L358 PolarHBondContact O-N 3.23Å; L355-L358 HydrophobicContact CD2-CD1 4.19Å; L355-L358 PolarHBondContact O-N 3.22Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.36Å; L358-E360 PolarHBondContact O-N 2.66Å; L358-V361 WeakPolarHBondContact O-CB 3.21Å; L358-V361 PolarHBondContact O-N 2.73Å; L358-I366 HydrophobicContact CD2-CG2 4.49Å |
| 359 | S | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.7 | -18 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | L355 L356 M357 F367 C370 W374 R421 | L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 2.89Å; L355-S359 PolarHBondContact O-OG 3.04Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.18Å; L356-S359 VanDerWaalsContact O-N 3.15Å; M357-S359 VanDerWaalsContact C-N 3.31Å; M357-S359 PolarHBondContact O-N 2.97Å; S359-F367 WeakPolarHBondContact O-CD2 3.32Å; S359-C370 WeakPolarHBondContact OG-CB 3.39Å; S359-W374 PolarHBondContact OG-NE1 3.43Å; S359-R421 PolarHBondContact O-NH1 3.38Å |
| 360 | E | 95.9 | Very high | 96 | Very high | 102 Ų | 102 | 29.7 Ų | 29.7 | 48% | 0.477 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.2 | 173.3 | -69.1 | -177.2 | 168.1 | 0 | 0 | 113.4 | L356 M357 L358 E362 I417 | L356-E360 PolarHBondContact O-N 3.31Å; M357-E360 PolarHBondContact O-N 2.98Å; L358-E360 PolarHBondContact O-N 2.66Å; E360-E362 PolarHBondContact O-N 3.45Å; E360-I417 HydrophobicContact CG-CD1 3.87Å; E360-I417 HydrophobicContact CG-CG1 4.08Å |
| 361 | V | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -64.7 | 126.4 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 110 | L306 Y310 I321 L358 E363 I366 R421 | L306-V361 HydrophobicContact CB-CG2 4.49Å; L306-V361 HydrophobicContact CD2-CG2 4.26Å; L306-V361 HydrophobicContact CG-CG2 4.02Å; Y310-V361 HydrophobicContact CD1-CG1 3.58Å; Y310-V361 HydrophobicContact CD2-CG1 3.77Å; Y310-V361 HydrophobicContact CE1-CG1 4.11Å; Y310-V361 HydrophobicContact CE2-CG1 4.29Å; Y310-V361 HydrophobicContact CG-CG1 3.4Å; I321-V361 HydrophobicContact CG2-CG2 4.31Å; L358-V361 WeakPolarHBondContact O-CB 3.21Å; L358-V361 PolarHBondContact O-N 2.73Å; V361-E363 HydrophobicContact CG1-CB 4.1Å; V361-E363 PolarHBondContact O-N 3.17Å; V361-I366 HydrophobicContact CG1-CD1 4.19Å; V361-R421 PolarHBondContact O-NH1 3.37Å; V361-R421 PolarHBondContact O-NH2 2.99Å |
| 362 | E | 93 | Very high | 96.3 | Very high | 114 Ų | 114 | 33.9 Ų | 33.9 | 53% | 0.533 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -76.1 | 46.8 | -179.5 | -74.3 | -174.2 | -177.8 | 0 | 0 | 113.5 | K307 E360 | K307-E362 HydrophobicContact CD-CG 4.43Å; K307-E362 VanDerWaalsContact CE-OE1 3.24Å; K307-E362 WeakPolarHBondContact CE-OE1 3.34Å; K307-E362 IonicContact NZ-OE1 2.63Å; K307-E362 PolarHBondContact NZ-OE1 2.9Å; K307-E362 IonicContact NZ-OE2 3.81Å; E360-E362 PolarHBondContact O-N 3.45Å |
| 363 | E | 94.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | trans | -121.4 | 130.6 | 171.6 | 178.2 | 43 | -133 | 0 | 0 | 110.9 | Y310 V361 E365 I366 F367 | Y310-E363 HydrophobicContact CE1-CB 3.81Å; Y310-E363 HydrophobicContact CE1-CG 4.35Å; V361-E363 HydrophobicContact CG1-CB 4.1Å; V361-E363 PolarHBondContact O-N 3.17Å; E363-E365 PolarHBondContact OE1-N 2.65Å; E363-I366 HydrophobicContact CB-CB 4.39Å; E363-I366 HydrophobicContact CB-CD1 4.11Å; E363-I366 HydrophobicContact CB-CG1 4.29Å; E363-I366 HydrophobicContact CG-CD1 4.18Å; E363-I366 HydrophobicContact CG-CG1 4.1Å; E363-F367 WeakPolarHBondContact O-CB 3.28Å; E363-F367 PolarHBondContact O-N 2.8Å | ||
| 364 | R | 93.7 | Very high | 96.5 | Very high | 90 Ų | 90 | 32.7 Ų | 32.7 | 34% | 0.34 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.9 | -45.2 | -170.8 | -175.8 | -175.6 | -176.2 | 140.9 | 6.3 | 111.7 | F367 K368 D447 S448 | R364-F367 PolarHBondContact O-N 3.31Å; R364-K368 WeakPolarHBondContact O-CG 3.3Å; R364-K368 PolarHBondContact O-N 3.09Å; R364-D447 IonicContact CZ-OD2 3.97Å; R364-D447 IonicContact NE-OD2 3.39Å; R364-D447 PolarHBondContact NE-OD2 3.15Å; R364-D447 PolarHBondContact NH2-O 3.06Å; R364-D447 IonicContact NH2-OD2 2.76Å; R364-D447 PolarHBondContact NH2-OD2 3.14Å; R364-S448 PolarHBondContact NH1-OG 3.2Å; R364-S448 PolarHBondContact NH2-OG 3.36Å |
| 365 | E | 95.2 | Very high | 96.5 | Very high | 85 Ų | 85 | 33.7 Ų | 33.7 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.7 | -39.7 | -176.1 | -63.7 | -51.7 | 123.5 | 0 | 0 | 112.1 | E363 F367 K368 I369 | E363-E365 PolarHBondContact OE1-N 2.65Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 2.99Å; E365-K368 PolarHBondContact O-N 3.15Å; E365-K368 IonicContact OE1-NZ 3.68Å; E365-K368 PolarHBondContact OE1-NZ 3.18Å; E365-K368 IonicContact OE2-NZ 3.37Å; E365-I369 WeakPolarHBondContact O-CD1 3.4Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.37Å; E365-I369 PolarHBondContact O-N 3.17Å; E365-I369 VanDerWaalsContact O-N 3.07Å |
| 366 | I | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 174 | -62.5 | 178.1 | 0 | 0 | 0 | 110.2 | Y310 I321 Q322 A325 L358 V361 E363 K368 I369 C370 | Y310-I366 HydrophobicContact CD2-CD1 3.98Å; Y310-I366 HydrophobicContact CE2-CD1 3.31Å; I321-I366 HydrophobicContact CG2-CD1 4.06Å; Q322-I366 HydrophobicContact CB-CD1 4.2Å; Q322-I366 HydrophobicContact CB-CG1 4.11Å; Q322-I366 HydrophobicContact CG-CG1 4.23Å; A325-I366 HydrophobicContact CB-CG2 4.26Å; L358-I366 HydrophobicContact CD2-CG2 4.49Å; V361-I366 HydrophobicContact CG1-CD1 4.19Å; E363-I366 HydrophobicContact CB-CB 4.39Å; E363-I366 HydrophobicContact CB-CD1 4.11Å; E363-I366 HydrophobicContact CB-CG1 4.29Å; E363-I366 HydrophobicContact CG-CD1 4.18Å; E363-I366 HydrophobicContact CG-CG1 4.1Å; I366-K368 PolarHBondContact O-N 2.66Å; I366-I369 PolarHBondContact O-N 2.65Å; I366-C370 PolarHBondContact O-N 3.42Å; I366-C370 VanDerWaalsContact O-N 3.09Å; I366-C370 PolarHBondContact O-SG 2.65Å |
| 367 | F | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.8 | -173.8 | -103.6 | 0 | 0 | 0 | 112.5 | S359 E363 R364 E365 C370 L371 I417 M418 R421 L451 M455 | S359-F367 WeakPolarHBondContact O-CD2 3.32Å; E363-F367 WeakPolarHBondContact O-CB 3.28Å; E363-F367 PolarHBondContact O-N 2.8Å; R364-F367 PolarHBondContact O-N 3.31Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 2.99Å; F367-C370 PolarHBondContact O-N 3.03Å; F367-L371 HydrophobicContact CE1-CB 4.41Å; F367-L371 HydrophobicContact CE1-CD2 4.08Å; F367-L371 WeakPolarHBondContact O-CB 3.28Å; F367-L371 PolarHBondContact O-N 3.44Å; F367-I417 HydrophobicContact CE2-CG2 4.03Å; F367-M418 HydrophobicContact CE2-CE 4.15Å; F367-M418 HydrophobicContact CZ-CE 3.84Å; F367-M418 HydrophobicContact CZ-SD 4.16Å; F367-R421 HydrophobicContact CZ-CB 4.45Å; F367-L451 HydrophobicContact CD1-CD1 3.92Å; F367-L451 HydrophobicContact CE1-CD1 4.03Å; F367-M455 HydrophobicContact CE1-CE 3.73Å; F367-M455 HydrophobicContact CE1-CG 3.9Å; F367-M455 HydrophobicContact CE1-SD 3.63Å; F367-M455 HydrophobicContact CZ-CE 3.57Å; F367-M455 HydrophobicContact CZ-CG 4.41Å; F367-M455 HydrophobicContact CZ-SD 4.13Å |
| 368 | K | 97 | Very high | 96.2 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.8 | -74.9 | 173.5 | -177.9 | 171.6 | 0 | 112.4 | R364 E365 I366 C370 L371 E372 D447 L451 | R364-K368 WeakPolarHBondContact O-CG 3.3Å; R364-K368 PolarHBondContact O-N 3.09Å; E365-K368 PolarHBondContact O-N 3.15Å; E365-K368 IonicContact OE1-NZ 3.68Å; E365-K368 PolarHBondContact OE1-NZ 3.18Å; E365-K368 IonicContact OE2-NZ 3.37Å; I366-K368 PolarHBondContact O-N 2.66Å; K368-C370 VanDerWaalsContact C-N 3.33Å; K368-C370 PolarHBondContact O-N 3.35Å; K368-L371 PolarHBondContact O-N 3.44Å; K368-E372 PolarHBondContact O-N 3.47Å; K368-D447 WeakPolarHBondContact CE-OD1 3.5Å; K368-D447 WeakPolarHBondContact CE-OD2 2.91Å; K368-D447 IonicContact NZ-OD1 3.69Å; K368-D447 PolarHBondContact NZ-OD1 3.31Å; K368-D447 IonicContact NZ-OD2 3.63Å; K368-D447 PolarHBondContact NZ-OD2 2.93Å; K368-L451 HydrophobicContact CG-CD1 4.18Å |
| 369 | I | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 16% | 0.164 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 177.4 | -67.2 | 162 | 0 | 0 | 0 | 109.7 | Q322 A325 I326 T329 E365 I366 | Q322-I369 HydrophobicContact CG-CD1 4.23Å; A325-I369 HydrophobicContact CB-CB 4.42Å; A325-I369 HydrophobicContact CB-CG2 3.86Å; I326-I369 HydrophobicContact CD1-CD1 4.5Å; I326-I369 HydrophobicContact CG1-CD1 3.96Å; I326-I369 HydrophobicContact CG1-CG2 4.46Å; T329-I369 HydrophobicContact CG2-CG2 4.04Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.45Å; E365-I369 WeakPolarHBondContact O-CD1 3.4Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.37Å; E365-I369 PolarHBondContact O-N 3.17Å; E365-I369 VanDerWaalsContact O-N 3.07Å; I366-I369 PolarHBondContact O-N 2.65Å |
| 370 | C | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | S359 I366 F367 K368 E372 Y373 W374 | S359-C370 WeakPolarHBondContact OG-CB 3.39Å; I366-C370 PolarHBondContact O-N 3.42Å; I366-C370 VanDerWaalsContact O-N 3.09Å; I366-C370 PolarHBondContact O-SG 2.65Å; F367-C370 PolarHBondContact O-N 3.03Å; K368-C370 VanDerWaalsContact C-N 3.33Å; K368-C370 PolarHBondContact O-N 3.35Å; C370-E372 VanDerWaalsContact C-N 3.32Å; C370-E372 PolarHBondContact O-N 3.06Å; C370-Y373 PolarHBondContact O-N 3.28Å; C370-W374 PolarHBondContact O-N 3.46Å |
| 371 | L | 97.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | -178.4 | 177.6 | 64.4 | 0 | 0 | 0 | 112.1 | F367 K368 Y373 W374 N375 M418 L451 M455 T458 | F367-L371 HydrophobicContact CE1-CB 4.41Å; F367-L371 HydrophobicContact CE1-CD2 4.08Å; F367-L371 WeakPolarHBondContact O-CB 3.28Å; F367-L371 PolarHBondContact O-N 3.44Å; K368-L371 PolarHBondContact O-N 3.44Å; L371-Y373 VanDerWaalsContact C-N 3.33Å; L371-Y373 PolarHBondContact O-N 2.9Å; L371-W374 PolarHBondContact O-N 2.87Å; L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.32Å; L371-M418 HydrophobicContact CD1-CE 3.71Å; L371-M418 HydrophobicContact CD1-SD 3.8Å; L371-L451 HydrophobicContact CD2-CD1 3.61Å; L371-M455 HydrophobicContact CD1-CG 4.25Å; L371-M455 HydrophobicContact CD2-CG 3.6Å; L371-T458 HydrophobicContact CD1-CG2 4.32Å; L371-T458 WeakPolarHBondContact CD1-OG1 3.46Å |
| 372 | E | 96.3 | Very high | 95.1 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 50% | 0.495 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.6 | -166.9 | -166 | 156.2 | 0 | 0 | 110.9 | K333 K368 C370 I376 | K333-E372 IonicContact NZ-OE1 2.76Å; K333-E372 PolarHBondContact NZ-OE1 2.93Å; K333-E372 IonicContact NZ-OE2 3.13Å; K333-E372 PolarHBondContact NZ-OE2 3.46Å; K368-E372 PolarHBondContact O-N 3.47Å; C370-E372 VanDerWaalsContact C-N 3.32Å; C370-E372 PolarHBondContact O-N 3.06Å; E372-I376 WeakPolarHBondContact O-CG1 3.12Å; E372-I376 PolarHBondContact O-N 3.11Å |
| 373 | Y | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 175.4 | 175.5 | -102.4 | 0 | 0 | 0 | 112.5 | T329 L332 K333 Y352 L355 C370 L371 N375 I376 L377 | T329-Y373 HydrophobicContact CG2-CG 4.23Å; L332-Y373 HydrophobicContact CB-CD2 4Å; L332-Y373 HydrophobicContact CB-CE1 4.34Å; L332-Y373 HydrophobicContact CB-CE2 3.27Å; L332-Y373 VanDerWaalsContact CB-CZ 3.47Å; L332-Y373 HydrophobicContact CD1-CE1 3.9Å; L332-Y373 HydrophobicContact CD1-CE2 4.34Å; L332-Y373 HydrophobicContact CG-CE2 4.41Å; K333-Y373 HydrophobicContact CG-CD2 4Å; Y352-Y373 HydrophobicContact CD1-CE1 4.44Å; Y352-Y373 AromaticContact CE1-CE1 3.83Å; Y352-Y373 HydrophobicContact CE1-CE1 3.83Å; Y352-Y373 WeakPolarHBondContact CE1-OH 3.24Å; Y352-Y373 PolarHBondContact OH-OH 3.38Å; L355-Y373 HydrophobicContact CD1-CD1 3.64Å; L355-Y373 HydrophobicContact CD1-CE1 3.69Å; C370-Y373 PolarHBondContact O-N 3.28Å; L371-Y373 VanDerWaalsContact C-N 3.33Å; L371-Y373 PolarHBondContact O-N 2.9Å; Y373-N375 VanDerWaalsContact C-N 3.28Å; Y373-N375 PolarHBondContact O-N 3.48Å; Y373-I376 PolarHBondContact O-N 2.83Å; Y373-L377 HydrophobicContact CE1-CB 4.4Å; Y373-L377 HydrophobicContact CE1-CD2 4.34Å; Y373-L377 PolarHBondContact O-N 2.98Å |
| 374 | W | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 178.8 | -72.5 | 132.1 | 0 | 0 | 0 | 112.5 | Y352 L355 L356 S359 C370 L371 L377 V378 I410 L414 T458 | Y352-W374 AromaticContact CD1-CH2 3.96Å; Y352-W374 HydrophobicContact CD1-CH2 3.96Å; Y352-W374 HydrophobicContact CD1-CZ3 4.02Å; Y352-W374 HydrophobicContact CE1-CZ3 4.36Å; L355-W374 HydrophobicContact CB-CH2 3.96Å; L355-W374 HydrophobicContact CB-CZ2 3.5Å; L355-W374 VanDerWaalsContact CB-CZ2 3.5Å; L355-W374 HydrophobicContact CD1-CH2 4.44Å; L355-W374 HydrophobicContact CD1-CZ2 4.48Å; L356-W374 HydrophobicContact CD2-CH2 4.34Å; L356-W374 HydrophobicContact CD2-CZ2 3.94Å; L356-W374 HydrophobicContact CG-CH2 4.25Å; L356-W374 HydrophobicContact CG-CZ2 4.01Å; S359-W374 PolarHBondContact OG-NE1 3.43Å; C370-W374 PolarHBondContact O-N 3.46Å; L371-W374 PolarHBondContact O-N 2.87Å; W374-L377 HydrophobicContact CE3-CD2 3.81Å; W374-L377 HydrophobicContact CZ3-CD2 3.66Å; W374-L377 PolarHBondContact O-N 3.08Å; W374-V378 WeakPolarHBondContact O-CG1 3.05Å; W374-V378 VanDerWaalsContact O-CG2 3.31Å; W374-V378 WeakPolarHBondContact O-CG2 3.18Å; W374-V378 PolarHBondContact O-N 3.36Å; W374-I410 HydrophobicContact CH2-CG2 4.07Å; W374-I410 HydrophobicContact CZ3-CG2 4.21Å; W374-L414 HydrophobicContact CB-CD1 4.29Å; W374-L414 HydrophobicContact CB-CD2 4.02Å; W374-L414 HydrophobicContact CD2-CD1 3.72Å; W374-L414 HydrophobicContact CD2-CD2 3.71Å; W374-L414 HydrophobicContact CD2-CG 4.35Å; W374-L414 HydrophobicContact CE3-CD1 4.46Å; W374-L414 HydrophobicContact CE3-CD2 3.68Å; W374-L414 HydrophobicContact CG-CD1 3.62Å; W374-L414 HydrophobicContact CG-CD2 3.88Å; W374-L414 HydrophobicContact CG-CG 4.41Å; W374-L414 HydrophobicContact CZ2-CD1 4.46Å; W374-L414 HydrophobicContact CZ3-CD2 4.39Å; W374-T458 HydrophobicContact CB-CG2 4.29Å |
| 375 | N | 95.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.9 | -170.7 | -49.4 | 0 | 0 | 0 | 111.2 | L371 Y373 L377 V378 S379 E457 T458 | L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.32Å; Y373-N375 VanDerWaalsContact C-N 3.28Å; Y373-N375 PolarHBondContact O-N 3.48Å; N375-L377 PolarHBondContact O-N 2.97Å; N375-V378 WeakPolarHBondContact O-CG2 3.42Å; N375-V378 PolarHBondContact O-N 2.87Å; N375-S379 WeakPolarHBondContact O-CB 3.31Å; N375-S379 PolarHBondContact O-N 3.46Å; N375-E457 PolarHBondContact ND2-OE2 3.24Å; N375-T458 WeakPolarHBondContact CB-OG1 3.41Å |
| 376 | I | 94.8 | Very high | 92.9 | Very high | 62 Ų | 62 | 37.1 Ų | 37.1 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.5 | -52.8 | 175.5 | -65.7 | 166 | 0 | 0 | 0 | 110.5 | K333 E372 Y373 V378 S379 D380 | K333-I376 HydrophobicContact CD-CD1 4.06Å; K333-I376 HydrophobicContact CG-CD1 3.86Å; E372-I376 WeakPolarHBondContact O-CG1 3.12Å; E372-I376 PolarHBondContact O-N 3.11Å; Y373-I376 PolarHBondContact O-N 2.83Å; I376-V378 PolarHBondContact O-N 2.97Å; I376-S379 PolarHBondContact O-N 3.26Å; I376-D380 PolarHBondContact O-N 3.01Å |
| 377 | L | 94.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | -178.7 | 177.8 | 65.5 | 0 | 0 | 0 | 112 | Y352 Y373 W374 N375 D380 L381 | Y352-L377 HydrophobicContact CE1-CD2 4.07Å; Y373-L377 HydrophobicContact CE1-CB 4.4Å; Y373-L377 HydrophobicContact CE1-CD2 4.34Å; Y373-L377 PolarHBondContact O-N 2.98Å; W374-L377 HydrophobicContact CE3-CD2 3.81Å; W374-L377 HydrophobicContact CZ3-CD2 3.66Å; W374-L377 PolarHBondContact O-N 3.08Å; N375-L377 PolarHBondContact O-N 2.97Å; L377-D380 PolarHBondContact O-N 3.19Å; L377-L381 HydrophobicContact CD1-CD1 4.14Å; L377-L381 HydrophobicContact CD1-CG 4.27Å; L377-L381 HydrophobicContact CG-CD1 4.05Å; L377-L381 VanDerWaalsContact O-CG 3.24Å; L377-L381 WeakPolarHBondContact O-CG 3.44Å; L377-L381 PolarHBondContact O-N 3.14Å |
| 378 | V | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.3 | -30.7 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | W374 N375 I376 Y382 L411 L414 T458 Y461 L462 L465 | W374-V378 WeakPolarHBondContact O-CG1 3.05Å; W374-V378 VanDerWaalsContact O-CG2 3.31Å; W374-V378 WeakPolarHBondContact O-CG2 3.18Å; W374-V378 PolarHBondContact O-N 3.36Å; N375-V378 WeakPolarHBondContact O-CG2 3.42Å; N375-V378 PolarHBondContact O-N 2.87Å; I376-V378 PolarHBondContact O-N 2.97Å; V378-Y382 VanDerWaalsContact O-CB 3.28Å; V378-Y382 WeakPolarHBondContact O-CB 3.44Å; V378-Y382 PolarHBondContact O-N 3.36Å; V378-L411 HydrophobicContact CG1-CD2 4.15Å; V378-L414 HydrophobicContact CG1-CD2 4.09Å; V378-T458 HydrophobicContact CG2-CG2 3.95Å; V378-Y461 HydrophobicContact CG2-CD2 3.94Å; V378-Y461 HydrophobicContact CG2-CG 4.18Å; V378-L462 HydrophobicContact CB-CD2 4.46Å; V378-L462 HydrophobicContact CB-CG 4.46Å; V378-L462 HydrophobicContact CG1-CD2 3.6Å; V378-L462 HydrophobicContact CG1-CG 3.87Å; V378-L465 HydrophobicContact CB-CD1 4.42Å |
| 379 | S | 92.4 | Very high | 87.8 | Confident | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -47 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | N375 I376 Y382 R383 | N375-S379 WeakPolarHBondContact O-CB 3.31Å; N375-S379 PolarHBondContact O-N 3.46Å; I376-S379 PolarHBondContact O-N 3.26Å; S379-Y382 WeakPolarHBondContact O-CB 3.3Å; S379-Y382 PolarHBondContact O-N 3.42Å; S379-R383 WeakPolarHBondContact O-CG 3.37Å; S379-R383 PolarHBondContact O-N 3.21Å |
| 380 | D | 91.1 | Very high | 85.6 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 178.9 | -73.6 | -15.5 | 0 | 0 | 0 | 112 | I376 L377 Y382 R383 E384 | I376-D380 PolarHBondContact O-N 3.01Å; L377-D380 PolarHBondContact O-N 3.19Å; D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 2.88Å; D380-R383 PolarHBondContact O-N 2.97Å; D380-E384 PolarHBondContact O-N 3.45Å |
| 381 | L | 91.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 174.5 | -68.5 | 175.2 | 0 | 0 | 0 | 111.9 | L377 S385 R403 Y407 L411 L465 | L377-L381 HydrophobicContact CD1-CD1 4.14Å; L377-L381 HydrophobicContact CD1-CG 4.27Å; L377-L381 HydrophobicContact CG-CD1 4.05Å; L377-L381 VanDerWaalsContact O-CG 3.24Å; L377-L381 WeakPolarHBondContact O-CG 3.44Å; L377-L381 PolarHBondContact O-N 3.14Å; L381-S385 PolarHBondContact O-N 3.29Å; L381-S385 VanDerWaalsContact O-N 3.08Å; L381-R403 HydrophobicContact CD2-CB 3.49Å; L381-R403 VanDerWaalsContact CD2-CB 3.49Å; L381-Y407 HydrophobicContact CD1-CD2 4.14Å; L381-Y407 HydrophobicContact CD2-CD2 4.11Å; L381-Y407 HydrophobicContact CD2-CE2 4.36Å; L381-L411 HydrophobicContact CD1-CD1 4.11Å; L381-L411 HydrophobicContact CD1-CD2 4.05Å; L381-L465 HydrophobicContact CB-CD1 4.01Å; L381-L465 HydrophobicContact CB-CD2 4.24Å |
| 382 | Y | 88.8 | Confident | 81 | Confident | 54 Ų | 54 | 59 Ų | 59 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 175.9 | 177.1 | -109.7 | 0 | 0 | 0 | 111.6 | V378 S379 D380 E384 S385 L386 Y461 H464 | V378-Y382 VanDerWaalsContact O-CB 3.28Å; V378-Y382 WeakPolarHBondContact O-CB 3.44Å; V378-Y382 PolarHBondContact O-N 3.36Å; S379-Y382 WeakPolarHBondContact O-CB 3.3Å; S379-Y382 PolarHBondContact O-N 3.42Å; D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 2.88Å; Y382-E384 VanDerWaalsContact C-N 3.31Å; Y382-E384 PolarHBondContact O-N 3.25Å; Y382-S385 PolarHBondContact O-N 3.2Å; Y382-S385 VanDerWaalsContact O-N 3.14Å; Y382-S385 PolarHBondContact O-OG 3.42Å; Y382-L386 HydrophobicContact CD1-CD1 4.29Å; Y382-L386 HydrophobicContact CE1-CD1 3.79Å; Y382-L386 HydrophobicContact CE1-CG 4.41Å; Y382-L386 HydrophobicContact CE2-CD2 4.43Å; Y382-L386 PolarHBondContact O-N 3.39Å; Y382-Y461 AromaticContact CD1-CD1 3.52Å; Y382-Y461 HydrophobicContact CD1-CD1 3.52Å; Y382-Y461 AromaticContact CD1-CE1 3.49Å; Y382-Y461 HydrophobicContact CD1-CE1 3.49Å; Y382-Y461 VanDerWaalsContact CD1-CE1 3.49Å; Y382-Y461 HydrophobicContact CD2-CD1 4.49Å; Y382-Y461 HydrophobicContact CE1-CD1 4.21Å; Y382-Y461 HydrophobicContact CE1-CE1 4.01Å; Y382-Y461 AromaticContact CG-CD1 3.67Å; Y382-Y461 HydrophobicContact CG-CD1 3.67Å; Y382-Y461 HydrophobicContact CG-CE1 4.14Å; Y382-H464 HydrophobicContact CD2-CB 3.7Å; Y382-H464 HydrophobicContact CE2-CB 3.46Å; Y382-H464 VanDerWaalsContact CE2-CB 3.46Å; Y382-H464 AromaticContact CE2-CG 3.78Å |
| 383 | R | 88.2 | Confident | 78.7 | Confident | 170 Ų | 170 | 59.6 Ų | 59.6 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.3 | -39.3 | 176.3 | -68.2 | 178.3 | 89.6 | -172.6 | 6.7 | 112.1 | S379 D380 L386 T387 | S379-R383 WeakPolarHBondContact O-CG 3.37Å; S379-R383 PolarHBondContact O-N 3.21Å; D380-R383 PolarHBondContact O-N 2.97Å; R383-L386 PolarHBondContact O-N 2.91Å; R383-T387 PolarHBondContact O-N 3.44Å |
| 384 | E | 86.4 | Confident | 76.3 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 174.6 | -171.4 | -174.7 | 147.5 | 0 | 0 | 112.7 | D380 Y382 L386 T387 T388 R403 | D380-E384 PolarHBondContact O-N 3.45Å; Y382-E384 VanDerWaalsContact C-N 3.31Å; Y382-E384 PolarHBondContact O-N 3.25Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.49Å; E384-T387 PolarHBondContact O-N 2.89Å; E384-T387 PolarHBondContact O-OG1 2.71Å; E384-T388 PolarHBondContact O-N 2.87Å; E384-T388 VanDerWaalsContact O-N 3.12Å; E384-T388 PolarHBondContact O-OG1 2.93Å; E384-R403 PolarHBondContact OE1-N 3.39Å; E384-R403 VanDerWaalsContact OE2-CD 3.32Å; E384-R403 WeakPolarHBondContact OE2-CD 3.21Å; E384-R403 IonicContact OE2-CZ 2.67Å; E384-R403 IonicContact OE2-NE 3.63Å; E384-R403 IonicContact OE2-NH1 2.92Å; E384-R403 PolarHBondContact OE2-NH1 3.34Å |
| 385 | S | 79.9 | Confident | 73.4 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 176.7 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | L381 Y382 T389 | L381-S385 PolarHBondContact O-N 3.29Å; L381-S385 VanDerWaalsContact O-N 3.08Å; Y382-S385 PolarHBondContact O-N 3.2Å; Y382-S385 VanDerWaalsContact O-N 3.14Å; Y382-S385 PolarHBondContact O-OG 3.42Å; S385-T389 PolarHBondContact O-N 3.02Å; S385-T389 PolarHBondContact O-OG1 3.41Å |
| 386 | L | 76.4 | Confident | 70.4 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 45% | 0.45 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 176.5 | -66.7 | 174 | 0 | 0 | 0 | 111.9 | Y382 R383 E384 V390 | Y382-L386 HydrophobicContact CD1-CD1 4.29Å; Y382-L386 HydrophobicContact CE1-CD1 3.79Å; Y382-L386 HydrophobicContact CE1-CG 4.41Å; Y382-L386 HydrophobicContact CE2-CD2 4.43Å; Y382-L386 PolarHBondContact O-N 3.39Å; R383-L386 PolarHBondContact O-N 2.91Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.49Å; L386-V390 WeakPolarHBondContact O-CG2 3.43Å |
| 387 | T | 70.5 | Confident | 67.3 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 55% | 0.546 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 178.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | R383 E384 T389 V390 V391 | R383-T387 PolarHBondContact O-N 3.44Å; E384-T387 PolarHBondContact O-N 2.89Å; E384-T387 PolarHBondContact O-OG1 2.71Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.18Å; T387-V390 PolarHBondContact O-N 3.43Å; T387-V391 PolarHBondContact O-N 2.82Å |
| 388 | T | 58.4 | Low | 64.3 | Low | 82 Ų | 82 | 85.9 Ų | 85.9 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 179.2 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | E384 V390 V391 G392 | E384-T388 PolarHBondContact O-N 2.87Å; E384-T388 VanDerWaalsContact O-N 3.12Å; E384-T388 PolarHBondContact O-OG1 2.93Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 3.13Å; T388-V391 PolarHBondContact O-N 3.48Å; T388-G392 PolarHBondContact O-N 3.16Å |
| 389 | T | 55.5 | Low | 61.3 | Low | 105 Ų | 105 | 93 Ų | 93 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -28.9 | 179.5 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | S385 T387 | S385-T389 PolarHBondContact O-N 3.02Å; S385-T389 PolarHBondContact O-OG1 3.41Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.18Å |
| 390 | V | 51.1 | Low | 58.9 | Low | 114 Ų | 114 | 95.5 Ų | 95.5 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.9 | -32.2 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 112 | L386 T387 T388 | L386-V390 WeakPolarHBondContact O-CG2 3.43Å; T387-V390 PolarHBondContact O-N 3.43Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 3.13Å |
| 391 | V | 50.2 | Low | 57.1 | Low | 102 Ų | 102 | 99.8 Ų | 99.8 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -88.1 | -27.2 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T387 T388 T393 L394 | T387-V391 PolarHBondContact O-N 2.82Å; T388-V391 PolarHBondContact O-N 3.48Å; V391-T393 VanDerWaalsContact C-N 3.29Å; V391-T393 PolarHBondContact O-N 3.27Å; V391-L394 PolarHBondContact O-N 2.85Å |
| 392 | G | 48.7 | Very low | 56 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 54% | 0.536 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -5.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T388 L394 | T388-G392 PolarHBondContact O-N 3.16Å; G392-L394 VanDerWaalsContact C-N 3.3Å |
| 393 | T | 47.1 | Very low | 55.7 | Low | 118 Ų | 118 | 101.1 Ų | 101.1 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | 174.3 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | V391 | V391-T393 VanDerWaalsContact C-N 3.29Å; V391-T393 PolarHBondContact O-N 3.27Å |
| 394 | L | 47.5 | Very low | 55.2 | Low | 164 Ų | 164 | 94.5 Ų | 94.5 | 86% | 0.859 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -131 | -0.7 | -178.2 | -73.5 | 167.5 | 0 | 0 | 0 | 115.6 | V391 G392 | V391-L394 PolarHBondContact O-N 2.85Å; G392-L394 VanDerWaalsContact C-N 3.3Å |
| 395 | A | 37.7 | Very low | 55 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | trans | -131.4 | 99.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 396 | E | 32 | Very low | 55.3 | Low | 186 Ų | 186 | 100.4 Ų | 100.4 | 87% | 0.869 | 60% | 0.601 | S | S | * | * | trans | -62.6 | 133.4 | 161.1 | -74.4 | 179.4 | 152.7 | 0 | 0 | 109.9 | ||||
| 397 | S | 30.4 | Very low | 55.9 | Low | 101 Ų | 101 | 96.4 Ų | 96.4 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 73.3 | 126 | 152.2 | 68.5 | 0 | 0 | 0 | 0 | 119.7 | ||
| 398 | T | 30.8 | Very low | 56.9 | Low | 123 Ų | 123 | 94.3 Ų | 94.3 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | trans | 72 | 89 | 153.2 | 60 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 399 | T | 32.7 | Very low | 58.5 | Low | 151 Ų | 151 | 94.9 Ų | 94.9 | 93% | 0.926 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 168 | 113.9 | 132.8 | 38.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 400 | G | 41.1 | Very low | 60.4 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | trans | 92.7 | 98.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | G402 | G400-G402 PolarHBondContact O-N 2.89Å; G400-G402 VanDerWaalsContact O-N 3.16Å | ||
| 401 | E | 54.5 | Low | 62.6 | Low | 156 Ų | 156 | 85.4 Ų | 85.4 | 73% | 0.729 | 52% | 0.518 | S | S | * | . | trans | -62.8 | 114.4 | 161.9 | -67.2 | -176.1 | 150.3 | 0 | 0 | 108 | K405 | E401-K405 HydrophobicContact CB-CD 4.44Š| ||
| 402 | G | 69.1 | Low | 64.8 | Low | 30 Ų | 30 | 81.9 Ų | 81.9 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | trans | -54.2 | 149.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G400 S404 K405 | G400-G402 PolarHBondContact O-N 2.89Å; G400-G402 VanDerWaalsContact O-N 3.16Å; G402-S404 PolarHBondContact O-N 2.87Å; G402-K405 PolarHBondContact O-N 3.37Å | ||
| 403 | R | 81.1 | Confident | 67.1 | Low | 53 Ų | 53 | 85.5 Ų | 85.5 | 20% | 0.2 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -49.5 | -34 | -171.4 | -74.2 | 173 | 58.5 | -134.8 | 12.6 | 113.6 | E340 L381 E384 K405 Q406 Y407 | E340-R403 VanDerWaalsContact CD-NE 3.29Å; E340-R403 VanDerWaalsContact CD-NH2 3.34Å; E340-R403 IonicContact OE1-CZ 2.75Å; E340-R403 IonicContact OE1-NE 3.71Å; E340-R403 PolarHBondContact OE1-NE 2.84Å; E340-R403 IonicContact OE1-NH2 3.69Å; E340-R403 PolarHBondContact OE1-NH2 2.92Å; E340-R403 IonicContact OE2-CZ 2.59Å; E340-R403 IonicContact OE2-NE 2.78Å; E340-R403 PolarHBondContact OE2-NE 3.42Å; E340-R403 IonicContact OE2-NH2 2.92Å; E340-R403 PolarHBondContact OE2-NH2 3.04Å; L381-R403 HydrophobicContact CD2-CB 3.49Å; L381-R403 VanDerWaalsContact CD2-CB 3.49Å; E384-R403 PolarHBondContact OE1-N 3.39Å; E384-R403 VanDerWaalsContact OE2-CD 3.32Å; E384-R403 WeakPolarHBondContact OE2-CD 3.21Å; E384-R403 IonicContact OE2-CZ 2.67Å; E384-R403 IonicContact OE2-NE 3.63Å; E384-R403 IonicContact OE2-NH1 2.92Å; E384-R403 PolarHBondContact OE2-NH1 3.34Å; R403-K405 VanDerWaalsContact C-N 3.33Å; R403-K405 PolarHBondContact O-N 2.96Å; R403-Q406 WeakPolarHBondContact O-CB 3.42Å; R403-Q406 PolarHBondContact O-N 3.45Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; R403-Y407 HydrophobicContact CB-CE2 4.11Å; R403-Y407 WeakPolarHBondContact O-CD2 3.33Å; R403-Y407 PolarHBondContact O-N 3.4Å |
| 404 | S | 79 | Confident | 69.5 | Low | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -56.1 | -41.5 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 113.6 | G402 Y407 A408 | G402-S404 PolarHBondContact O-N 2.87Å; S404-Y407 PolarHBondContact O-N 3.14Å; S404-A408 PolarHBondContact O-N 3.44Å |
| 405 | K | 81.7 | Confident | 72 | Confident | 146 Ų | 146 | 72.4 Ų | 72.4 | 64% | 0.635 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 178.3 | -72.9 | -174.4 | 176.9 | -179.3 | 0 | 111.9 | E401 G402 R403 Y407 A408 | E401-K405 HydrophobicContact CB-CD 4.44Å; G402-K405 PolarHBondContact O-N 3.37Å; R403-K405 VanDerWaalsContact C-N 3.33Å; R403-K405 PolarHBondContact O-N 2.96Å; K405-Y407 PolarHBondContact O-N 2.99Å; K405-A408 WeakPolarHBondContact O-CB 3.41Å; K405-A408 PolarHBondContact O-N 2.92Å |
| 406 | Q | 85.2 | Confident | 74.8 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 178.1 | -171.7 | 175.8 | 22.3 | 0 | 0 | 112 | I345 R403 | I345-Q406 HydrophobicContact CD1-CG 4.32Å; I345-Q406 VanDerWaalsContact CG1-NE2 3.28Å; R403-Q406 WeakPolarHBondContact O-CB 3.42Å; R403-Q406 PolarHBondContact O-N 3.45Å |
| 407 | Y | 89 | Confident | 77.9 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 6.2 | -179.8 | -55.1 | -45.5 | 0 | 0 | 0 | 114.4 | E340 I345 L348 Y352 L381 R403 S404 K405 P409 I410 L411 | E340-Y407 WeakPolarHBondContact CG-OH 3.42Å; E340-Y407 PolarHBondContact OE1-OH 3.13Å; I345-Y407 HydrophobicContact CD1-CE1 4.24Å; L348-Y407 HydrophobicContact CD2-CE1 4.26Å; L348-Y407 VanDerWaalsContact CD2-OH 3.3Å; L348-Y407 WeakPolarHBondContact CD2-OH 3.21Å; Y352-Y407 HydrophobicContact CD2-CD1 4.33Å; Y352-Y407 HydrophobicContact CD2-CE1 4.3Å; Y352-Y407 AromaticContact CE2-CD1 3.86Å; Y352-Y407 HydrophobicContact CE2-CD1 3.86Å; Y352-Y407 AromaticContact CE2-CE1 3.55Å; Y352-Y407 HydrophobicContact CE2-CE1 3.55Å; Y352-Y407 AromaticContact CE2-CZ 3.96Å; L381-Y407 HydrophobicContact CD1-CD2 4.14Å; L381-Y407 HydrophobicContact CD2-CD2 4.11Å; L381-Y407 HydrophobicContact CD2-CE2 4.36Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; R403-Y407 HydrophobicContact CB-CE2 4.11Å; R403-Y407 WeakPolarHBondContact O-CD2 3.33Å; R403-Y407 PolarHBondContact O-N 3.4Å; S404-Y407 PolarHBondContact O-N 3.14Å; K405-Y407 PolarHBondContact O-N 2.99Å; Y407-P409 VanDerWaalsContact C-CD 3.47Å; Y407-P409 VanDerWaalsContact O-N 3.15Å; Y407-I410 HydrophobicContact CD1-CD1 4.15Å; Y407-I410 WeakPolarHBondContact O-CA 3.47Å; Y407-I410 WeakPolarHBondContact O-CB 3.37Å; Y407-I410 PolarHBondContact O-N 3.39Å; Y407-L411 WeakPolarHBondContact O-CG 3.42Å; Y407-L411 PolarHBondContact O-N 2.88Å |
| 408 | A | 91.5 | Very high | 81.1 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -50.4 | -43.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S404 K405 I410 L411 S412 | S404-A408 PolarHBondContact O-N 3.44Å; K405-A408 WeakPolarHBondContact O-CB 3.41Å; K405-A408 PolarHBondContact O-N 2.92Å; A408-I410 PolarHBondContact O-N 2.87Å; A408-L411 PolarHBondContact O-N 2.86Å; A408-S412 WeakPolarHBondContact O-CB 3.46Å; A408-S412 PolarHBondContact O-N 3.35Å |
| 409 | P | 93.6 | Very high | 84.3 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -35.9 | 176.1 | -21.9 | 34.4 | 0 | 0 | 0 | 113.9 | Y407 K413 | Y407-P409 VanDerWaalsContact C-CD 3.47Å; Y407-P409 VanDerWaalsContact O-N 3.15Å; P409-K413 PolarHBondContact O-N 3.34Å |
| 410 | I | 94.9 | Very high | 87.4 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -47.1 | 178.3 | -67.9 | 155.6 | 0 | 0 | 0 | 109.6 | Y352 L356 W374 Y407 A408 S412 K413 L414 | Y352-I410 HydrophobicContact CD2-CD1 3.48Å; Y352-I410 VanDerWaalsContact CD2-CD1 3.48Å; Y352-I410 HydrophobicContact CE2-CD1 4.41Å; Y352-I410 HydrophobicContact CG-CD1 3.96Å; Y352-I410 HydrophobicContact CG-CG2 4.4Å; L356-I410 HydrophobicContact CD1-CG2 4.12Å; W374-I410 HydrophobicContact CH2-CG2 4.07Å; W374-I410 HydrophobicContact CZ3-CG2 4.21Å; Y407-I410 HydrophobicContact CD1-CD1 4.15Å; Y407-I410 WeakPolarHBondContact O-CA 3.47Å; Y407-I410 WeakPolarHBondContact O-CB 3.37Å; Y407-I410 PolarHBondContact O-N 3.39Å; A408-I410 PolarHBondContact O-N 2.87Å; I410-S412 VanDerWaalsContact C-N 3.29Å; I410-S412 PolarHBondContact O-N 3.14Å; I410-K413 PolarHBondContact O-N 2.97Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 PolarHBondContact O-N 3.44Å |
| 411 | L | 96.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 178.6 | -62 | 178 | 0 | 0 | 0 | 111.8 | V378 L381 Y407 A408 L414 R415 L462 L465 | V378-L411 HydrophobicContact CG1-CD2 4.15Å; L381-L411 HydrophobicContact CD1-CD1 4.11Å; L381-L411 HydrophobicContact CD1-CD2 4.05Å; Y407-L411 WeakPolarHBondContact O-CG 3.42Å; Y407-L411 PolarHBondContact O-N 2.88Å; A408-L411 PolarHBondContact O-N 2.86Å; L411-L414 PolarHBondContact O-N 3.46Å; L411-R415 WeakPolarHBondContact O-CG 3.26Å; L411-R415 PolarHBondContact O-N 3.13Å; L411-L462 HydrophobicContact CB-CD2 4.09Å; L411-L462 HydrophobicContact CD2-CD2 3.84Å; L411-L462 HydrophobicContact CG-CD2 4.47Å; L411-L465 HydrophobicContact CD1-CD1 4.32Å |
| 412 | S | 97.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.8 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | A408 I410 R415 R416 D469 | A408-S412 WeakPolarHBondContact O-CB 3.46Å; A408-S412 PolarHBondContact O-N 3.35Å; I410-S412 VanDerWaalsContact C-N 3.29Å; I410-S412 PolarHBondContact O-N 3.14Å; S412-R415 PolarHBondContact O-N 2.7Å; S412-R416 PolarHBondContact O-N 3.18Å; S412-D469 WeakPolarHBondContact CA-OD2 3.3Å; S412-D469 WeakPolarHBondContact CB-OD2 3.29Å; S412-D469 PolarHBondContact OG-OD1 3.06Å; S412-D469 PolarHBondContact OG-OD2 3.48Å |
| 413 | K | 97 | Very high | 93.1 | Very high | 129 Ų | 129 | 40.1 Ų | 40.1 | 56% | 0.561 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.3 | -43 | 172.7 | -72.6 | -178.5 | 177.9 | -176 | 0 | 111.6 | L356 P409 I410 R415 R416 I417 | L356-K413 HydrophobicContact CD1-CB 3.87Å; L356-K413 HydrophobicContact CD1-CD 3.78Å; L356-K413 HydrophobicContact CD1-CG 4.48Å; L356-K413 HydrophobicContact CD2-CB 4.05Å; P409-K413 PolarHBondContact O-N 3.34Å; I410-K413 PolarHBondContact O-N 2.97Å; K413-R415 VanDerWaalsContact C-N 3.34Å; K413-R415 PolarHBondContact O-N 3.35Å; K413-R416 WeakPolarHBondContact O-CB 3.09Å; K413-R416 PolarHBondContact O-N 2.95Å; K413-R416 VanDerWaalsContact O-N 3.09Å; K413-I417 PolarHBondContact O-N 3.16Å |
| 414 | L | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 176.8 | -176.1 | 61 | 0 | 0 | 0 | 111.8 | L356 W374 V378 I410 L411 R416 I417 M418 L462 | L356-L414 HydrophobicContact CD2-CB 4.11Å; L356-L414 HydrophobicContact CD2-CD1 4.45Å; W374-L414 HydrophobicContact CB-CD1 4.29Å; W374-L414 HydrophobicContact CB-CD2 4.02Å; W374-L414 HydrophobicContact CD2-CD1 3.72Å; W374-L414 HydrophobicContact CD2-CD2 3.71Å; W374-L414 HydrophobicContact CD2-CG 4.35Å; W374-L414 HydrophobicContact CE3-CD1 4.46Å; W374-L414 HydrophobicContact CE3-CD2 3.68Å; W374-L414 HydrophobicContact CG-CD1 3.62Å; W374-L414 HydrophobicContact CG-CD2 3.88Å; W374-L414 HydrophobicContact CG-CG 4.41Å; W374-L414 HydrophobicContact CZ2-CD1 4.46Å; W374-L414 HydrophobicContact CZ3-CD2 4.39Å; V378-L414 HydrophobicContact CG1-CD2 4.09Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 PolarHBondContact O-N 3.44Å; L411-L414 PolarHBondContact O-N 3.46Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.32Å; L414-I417 PolarHBondContact O-N 3.15Å; L414-I417 VanDerWaalsContact O-N 3.15Å; L414-M418 HydrophobicContact CD1-CE 3.57Å; L414-M418 HydrophobicContact CD1-CG 4.37Å; L414-M418 HydrophobicContact CG-CE 4.46Å; L414-M418 HydrophobicContact CG-CG 4.4Å; L414-M418 WeakPolarHBondContact O-CG 3.42Å; L414-M418 PolarHBondContact O-N 2.98Å; L414-L462 HydrophobicContact CB-CD1 4.47Å; L414-L462 HydrophobicContact CD2-CD1 3.98Å; L414-L462 HydrophobicContact CD2-CD2 4.25Å; L414-L462 HydrophobicContact CG-CD1 3.89Å |
| 415 | R | 98.3 | Very high | 94 | Very high | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55 | -45.7 | 172.1 | -75.3 | 177.7 | -168.5 | 103.2 | 10.6 | 111.6 | L411 S412 K413 I417 M418 I419 L462 D466 D469 T470 I473 | L411-R415 WeakPolarHBondContact O-CG 3.26Å; L411-R415 PolarHBondContact O-N 3.13Å; S412-R415 PolarHBondContact O-N 2.7Å; K413-R415 VanDerWaalsContact C-N 3.34Å; K413-R415 PolarHBondContact O-N 3.35Å; R415-I417 VanDerWaalsContact C-N 3.33Å; R415-I417 PolarHBondContact O-N 3.31Å; R415-M418 PolarHBondContact O-N 2.96Å; R415-I419 WeakPolarHBondContact O-CB 3.43Å; R415-I419 WeakPolarHBondContact O-CD1 3.33Å; R415-I419 VanDerWaalsContact O-CG1 3.24Å; R415-I419 WeakPolarHBondContact O-CG1 3.39Å; R415-I419 PolarHBondContact O-N 3.06Å; R415-L462 HydrophobicContact CG-CB 3.77Å; R415-L462 HydrophobicContact CG-CD1 3.92Å; R415-L462 HydrophobicContact CG-CD2 4.23Å; R415-L462 HydrophobicContact CG-CG 4.2Å; R415-L462 PolarHBondContact NE-O 3.2Å; R415-L462 PolarHBondContact NH2-O 3.18Å; R415-D466 VanDerWaalsContact NH2-CB 3.35Å; R415-D469 WeakPolarHBondContact CD-OD2 3.31Å; R415-D469 IonicContact CZ-OD2 2.65Å; R415-D469 IonicContact NE-OD2 3.89Å; R415-D469 IonicContact NH1-OD2 2.75Å; R415-D469 PolarHBondContact NH1-OD2 2.89Å; R415-T470 WeakPolarHBondContact CD-OG1 3.44Å; R415-T470 PolarHBondContact NE-OG1 2.97Å; R415-I473 HydrophobicContact CB-CD1 3.69Å |
| 416 | R | 98 | Very high | 93.9 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 30% | 0.302 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.3 | -70 | -176.3 | -179.1 | -98.3 | -6.9 | 112.1 | S412 K413 L414 S420 I473 E476 | S412-R416 PolarHBondContact O-N 3.18Å; K413-R416 WeakPolarHBondContact O-CB 3.09Å; K413-R416 PolarHBondContact O-N 2.95Å; K413-R416 VanDerWaalsContact O-N 3.09Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.32Å; R416-S420 VanDerWaalsContact O-CB 3.26Å; R416-S420 WeakPolarHBondContact O-CB 3.47Å; R416-S420 PolarHBondContact O-N 3.32Å; R416-S420 PolarHBondContact O-OG 2.96Å; R416-I473 HydrophobicContact CG-CD1 3.86Å; R416-I473 HydrophobicContact CG-CG1 4.08Å; R416-I473 HydrophobicContact CG-CG2 3.79Å; R416-E476 IonicContact CZ-OE1 2.81Å; R416-E476 IonicContact CZ-OE2 2.74Å; R416-E476 IonicContact NH1-OE1 3.8Å; R416-E476 PolarHBondContact NH1-OE1 2.94Å; R416-E476 IonicContact NH1-OE2 3.01Å; R416-E476 PolarHBondContact NH1-OE2 3.44Å; R416-E476 IonicContact NH2-OE1 3.87Å; R416-E476 IonicContact NH2-OE2 3.59Å; R416-E476 PolarHBondContact NH2-OE2 3.48Å |
| 417 | I | 97.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -50.7 | 176.7 | -65 | 170.7 | 0 | 0 | 0 | 110.6 | L356 E360 F367 K413 L414 R415 I419 S420 R421 | L356-I417 HydrophobicContact CB-CD1 4.42Å; L356-I417 HydrophobicContact CD2-CD1 3.8Å; E360-I417 HydrophobicContact CG-CD1 3.87Å; E360-I417 HydrophobicContact CG-CG1 4.08Å; F367-I417 HydrophobicContact CE2-CG2 4.03Å; K413-I417 PolarHBondContact O-N 3.16Å; L414-I417 PolarHBondContact O-N 3.15Å; L414-I417 VanDerWaalsContact O-N 3.15Å; R415-I417 VanDerWaalsContact C-N 3.33Å; R415-I417 PolarHBondContact O-N 3.31Å; I417-I419 VanDerWaalsContact C-N 3.3Å; I417-I419 PolarHBondContact O-N 2.87Å; I417-S420 PolarHBondContact O-N 2.74Å; I417-S420 VanDerWaalsContact O-N 3.08Å; I417-R421 WeakPolarHBondContact O-CB 3.5Å; I417-R421 PolarHBondContact O-N 3.29Å |
| 418 | M | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 179.4 | -68.5 | -59.6 | 140 | 0 | 0 | 112 | F367 L371 L414 R415 M422 M455 T458 L459 L462 | F367-M418 HydrophobicContact CE2-CE 4.15Å; F367-M418 HydrophobicContact CZ-CE 3.84Å; F367-M418 HydrophobicContact CZ-SD 4.16Å; L371-M418 HydrophobicContact CD1-CE 3.71Å; L371-M418 HydrophobicContact CD1-SD 3.8Å; L414-M418 HydrophobicContact CD1-CE 3.57Å; L414-M418 HydrophobicContact CD1-CG 4.37Å; L414-M418 HydrophobicContact CG-CE 4.46Å; L414-M418 HydrophobicContact CG-CG 4.4Å; L414-M418 WeakPolarHBondContact O-CG 3.42Å; L414-M418 PolarHBondContact O-N 2.98Å; R415-M418 PolarHBondContact O-N 2.96Å; M418-M422 PolarHBondContact O-N 3.18Å; M418-M422 VanDerWaalsContact O-N 3.12Å; M418-M455 HydrophobicContact SD-CE 3.99Å; M418-T458 HydrophobicContact CE-CG2 4.47Å; M418-T458 HydrophobicContact CG-CG2 4.33Å; M418-T458 HydrophobicContact SD-CG2 4.23Å; M418-L459 HydrophobicContact CB-CB 4.43Å; M418-L459 HydrophobicContact CB-CD1 4.08Å; M418-L462 HydrophobicContact CG-CD1 4.23Å |
| 419 | I | 98 | Very high | 90.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 176.5 | -68 | 164 | 0 | 0 | 0 | 111.5 | R415 I417 L459 I473 M474 K477 T494 L495 A498 | R415-I419 WeakPolarHBondContact O-CB 3.43Å; R415-I419 WeakPolarHBondContact O-CD1 3.33Å; R415-I419 VanDerWaalsContact O-CG1 3.24Å; R415-I419 WeakPolarHBondContact O-CG1 3.39Å; R415-I419 PolarHBondContact O-N 3.06Å; I417-I419 VanDerWaalsContact C-N 3.3Å; I417-I419 PolarHBondContact O-N 2.87Å; I419-L459 HydrophobicContact CD1-CD1 4.45Å; I419-L459 HydrophobicContact CG1-CD1 4.03Å; I419-L459 HydrophobicContact CG1-CD2 4.07Å; I419-I473 HydrophobicContact CD1-CB 4.12Å; I419-I473 HydrophobicContact CD1-CG2 3.57Å; I419-M474 HydrophobicContact CD1-CE 3.96Å; I419-M474 HydrophobicContact CD1-CG 3.72Å; I419-M474 HydrophobicContact CG1-CE 3.9Å; I419-M474 HydrophobicContact CG1-CG 4.38Å; I419-K477 HydrophobicContact CG2-CD 3.74Å; I419-T494 VanDerWaalsContact O-CG2 3.24Å; I419-T494 WeakPolarHBondContact O-CG2 3.39Å; I419-L495 HydrophobicContact CG2-CD1 3.93Å; I419-A498 HydrophobicContact CB-CB 4.22Å; I419-A498 HydrophobicContact CG1-CB 4.15Å; I419-A498 HydrophobicContact CG2-CB 4.04Å |
| 420 | S | 96.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -81.3 | -14.6 | -176.7 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | R416 I417 K477 T494 | R416-S420 VanDerWaalsContact O-CB 3.26Å; R416-S420 WeakPolarHBondContact O-CB 3.47Å; R416-S420 PolarHBondContact O-N 3.32Å; R416-S420 PolarHBondContact O-OG 2.96Å; I417-S420 PolarHBondContact O-N 2.74Å; I417-S420 VanDerWaalsContact O-N 3.08Å; S420-K477 WeakPolarHBondContact OG-CE 3.09Å; S420-K477 PolarHBondContact OG-NZ 2.98Å; S420-T494 WeakPolarHBondContact O-CG2 3.46Å |
| 421 | R | 95 | Very high | 88.9 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -120.7 | 5.7 | -177.9 | -63.9 | -161.9 | 69.2 | -175.8 | 2.3 | 114.4 | S359 V361 F367 I417 A423 M455 | S359-R421 PolarHBondContact O-NH1 3.38Å; V361-R421 PolarHBondContact O-NH1 3.37Å; V361-R421 PolarHBondContact O-NH2 2.99Å; F367-R421 HydrophobicContact CZ-CB 4.45Å; I417-R421 WeakPolarHBondContact O-CB 3.5Å; I417-R421 PolarHBondContact O-N 3.29Å; R421-A423 PolarHBondContact O-N 3.44Å; R421-A423 VanDerWaalsContact O-N 3.13Å; R421-M455 VanDerWaalsContact C-CE 3.43Å; R421-M455 HydrophobicContact CB-CE 4.07Å; R421-M455 VanDerWaalsContact O-CE 3.32Å; R421-M455 WeakPolarHBondContact O-CE 3.36Å |
| 422 | M | 96.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -45.9 | 122.7 | -178.2 | -171.7 | 58.4 | 64.7 | 0 | 0 | 111.1 | M418 Y452 M455 L459 T494 W497 A498 | M418-M422 PolarHBondContact O-N 3.18Å; M418-M422 VanDerWaalsContact O-N 3.12Å; M422-Y452 HydrophobicContact SD-CD2 3.96Å; M422-Y452 HydrophobicContact SD-CE2 4.14Å; M422-M455 HydrophobicContact CE-CB 4.12Å; M422-M455 HydrophobicContact SD-CB 3.75Å; M422-L459 HydrophobicContact CE-CB 4.22Å; M422-L459 HydrophobicContact CE-CD2 3.54Å; M422-T494 HydrophobicContact CB-CG2 3.98Å; M422-T494 VanDerWaalsContact N-CG2 3.26Å; M422-W497 HydrophobicContact CB-CB 4.36Å; M422-W497 HydrophobicContact CG-CB 3.81Å; M422-A498 HydrophobicContact CB-CB 4.03Å; M422-A498 HydrophobicContact CE-CB 4.31Å; M422-A498 HydrophobicContact CG-CB 4.27Å | ||
| 423 | A | 94.2 | Very high | 86.8 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | trans | -69.7 | 159 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R421 L451 Y452 M455 | R421-A423 PolarHBondContact O-N 3.44Å; R421-A423 VanDerWaalsContact O-N 3.13Å; A423-L451 HydrophobicContact CB-CD2 4.19Å; A423-L451 HydrophobicContact CB-CG 4.1Å; A423-Y452 WeakPolarHBondContact O-CD2 3.23Å; A423-M455 HydrophobicContact CB-SD 4.03Å | ||
| 424 | R | 90.5 | Very high | 85.6 | Confident | 150 Ų | 150 | 51.9 Ų | 51.9 | 57% | 0.566 | 26% | 0.256 | S | S | * | . | trans | -64.6 | 131.2 | 178 | -172.5 | -179.2 | 173.8 | 169.3 | 1.2 | 109.9 | E426 W497 | R424-E426 VanDerWaalsContact CD-O 3.32Å; R424-E426 WeakPolarHBondContact CD-O 3.49Å; R424-E426 WeakPolarHBondContact CG-O 3.36Å; R424-E426 PolarHBondContact NE-O 2.85Å; R424-E426 PolarHBondContact O-N 3.4Å; R424-W497 HydrophobicContact CB-CE3 4.37Å; R424-W497 HydrophobicContact CB-CH2 3.77Å; R424-W497 HydrophobicContact CB-CZ2 4.1Å; R424-W497 HydrophobicContact CB-CZ3 3.92Å; R424-W497 HydrophobicContact CG-CH2 3.94Å; R424-W497 HydrophobicContact CG-CZ2 3.79Å | ||
| 425 | P | 86.7 | Confident | 84.3 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -72.6 | -23.9 | -173.1 | 26.7 | -36.3 | 0 | 0 | 0 | 114.9 | L449 Y452 W497 Y544 | P425-L449 WeakPolarHBondContact O-CD2 3.38Å; P425-Y452 HydrophobicContact CB-CD1 4.25Å; P425-Y452 HydrophobicContact CB-CD2 4.08Å; P425-Y452 HydrophobicContact CB-CE1 3.81Å; P425-Y452 HydrophobicContact CB-CE2 3.64Å; P425-Y452 HydrophobicContact CB-CG 4.37Å; P425-Y452 VanDerWaalsContact CB-CZ 3.48Å; P425-W497 HydrophobicContact CG-CG 4.33Å; P425-Y544 HydrophobicContact CB-CE2 3.91Å; P425-Y544 HydrophobicContact CG-CD2 4.19Å; P425-Y544 HydrophobicContact CG-CE2 3.4Å |
| 426 | E | 79.7 | Confident | 82.9 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | trans | -144 | 140.4 | -172.6 | -70.1 | 171.5 | -163.2 | 0 | 0 | 110 | R424 K588 | R424-E426 VanDerWaalsContact CD-O 3.32Å; R424-E426 WeakPolarHBondContact CD-O 3.49Å; R424-E426 WeakPolarHBondContact CG-O 3.36Å; R424-E426 PolarHBondContact NE-O 2.85Å; R424-E426 PolarHBondContact O-N 3.4Å; E426-K588 IonicContact OE1-NZ 2.88Å; E426-K588 PolarHBondContact OE1-NZ 3.25Å; E426-K588 IonicContact OE2-NZ 3.54Å; E426-K588 PolarHBondContact OE2-NZ 2.88Å | ||
| 427 | E | 68.9 | Low | 81.6 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -120.3 | 123.8 | 178.9 | -172 | 165.5 | -158.1 | 0 | 0 | 109.2 | M443 T446 | E427-M443 HydrophobicContact CB-CB 4.29Å; E427-M443 HydrophobicContact CG-CB 4.37Å; E427-M443 HydrophobicContact CG-CG 4.29Å; E427-M443 PolarHBondContact O-N 2.92Å; E427-T446 WeakPolarHBondContact OE2-CB 3.33Å; E427-T446 WeakPolarHBondContact OE2-CG2 3.5Å; E427-T446 PolarHBondContact OE2-OG1 3.11Å | ||
| 428 | V | 66.4 | Low | 80.5 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.9 | -176.2 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | R440 E441 F442 | V428-R440 HydrophobicContact CG1-CB 4.11Å; V428-E441 WeakPolarHBondContact CA-O 3.38Å; V428-F442 HydrophobicContact CG2-CD1 3.6Å; V428-F442 HydrophobicContact CG2-CE1 3.47Å; V428-F442 VanDerWaalsContact CG2-CE1 3.47Å; V428-F442 HydrophobicContact CG2-CG 4.35Å; V428-F442 HydrophobicContact CG2-CZ 4.13Å |
| 429 | L | 68.9 | Low | 79.2 | Confident | 78 Ų | 78 | 58.3 Ų | 58.3 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 150.3 | 173.2 | -67 | 178.8 | 0 | 0 | 0 | 110.1 | V431 R440 E441 M443 | L429-V431 HydrophobicContact CB-CG2 4.1Å; L429-R440 WeakPolarHBondContact O-CA 3.25Å; L429-E441 PolarHBondContact N-O 3.39Å; L429-E441 PolarHBondContact O-N 2.88Å; L429-M443 HydrophobicContact CD1-CE 4.1Å; L429-M443 HydrophobicContact CD1-CG 3.85Å; L429-M443 HydrophobicContact CD1-SD 3.65Å; L429-M443 HydrophobicContact CG-CG 3.98Å; L429-M443 HydrophobicContact CG-SD 4.3Å |
| 430 | V | 71.2 | Confident | 78 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 62% | 0.624 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 114.2 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | V438 R440 | V430-V438 HydrophobicContact CG1-CG1 3.16Å; V430-R440 HydrophobicContact CG2-CG 4.35Å |
| 431 | V | 74.3 | Confident | 76.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.2 | -173.3 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | L429 V438 V439 E441 | L429-V431 HydrophobicContact CB-CG2 4.1Å; V431-V438 CarbonylContact O-C 3.6Å; V431-V439 PolarHBondContact N-O 3.25Å; V431-V439 WeakPolarHBondContact O-CG2 3.39Å; V431-V439 PolarHBondContact O-N 3.14Å; V431-E441 HydrophobicContact CG2-CB 4.44Å |
| 432 | E | 76.7 | Confident | 75.9 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.1 | 168.8 | -171.6 | 179.4 | 163.1 | 0 | 0 | 108.8 | G436 E437 | E432-G436 WeakPolarHBondContact OE1-CA 3.38Å; E432-E437 WeakPolarHBondContact CA-O 3.33Å |
| 433 | N | 73.8 | Confident | 74.9 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | trans | -74.8 | 173.5 | 176 | 73.7 | 14.8 | 0 | 0 | 0 | 111.7 | H435 G436 E437 V439 | N433-H435 PolarHBondContact O-N 3.33Å; N433-H435 PolarHBondContact OD1-N 3.35Å; N433-H435 VanDerWaalsContact OD1-N 3.09Å; N433-G436 PolarHBondContact O-N 3.01Å; N433-G436 PolarHBondContact OD1-N 3.45Å; N433-E437 PolarHBondContact N-O 3.07Å; N433-E437 PolarHBondContact ND2-OE2 2.67Å; N433-E437 WeakPolarHBondContact OD1-CB 3.45Å; N433-E437 PolarHBondContact OD1-N 2.91Å; N433-V439 HydrophobicContact CB-CG2 4.32Å | ||
| 434 | E | 70.8 | Confident | 73.8 | Confident | 123 Ų | 123 | 75 Ų | 75 | 58% | 0.575 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.3 | -176.7 | -59.1 | 176.5 | 156.1 | 0 | 0 | 114.7 | K751 | E434-K751 IonicContact OE2-NZ 3.59Š|
| 435 | H | 70.6 | Confident | 72.7 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 13% | 0.13 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.3 | 177.6 | -53 | -50.3 | 0 | 0 | 0 | 113.1 | N433 E437 R744 S748 K751 | N433-H435 PolarHBondContact O-N 3.33Å; N433-H435 PolarHBondContact OD1-N 3.35Å; N433-H435 VanDerWaalsContact OD1-N 3.09Å; H435-E437 HydrophobicContact CB-CG 4.37Å; H435-R744 HydrophobicContact CB-CB 4.48Å; H435-R744 WeakPolarHBondContact O-CD 3.32Å; H435-S748 WeakPolarHBondContact CB-OG 2.99Å; H435-K751 WeakPolarHBondContact NE2-CD 3.42Å |
| 436 | G | 68.9 | Low | 72.6 | Confident | 30 Ų | 30 | 74 Ų | 74 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 83.8 | 16.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E432 N433 | E432-G436 WeakPolarHBondContact OE1-CA 3.38Å; N433-G436 PolarHBondContact O-N 3.01Å; N433-G436 PolarHBondContact OD1-N 3.45Å |
| 437 | E | 70.9 | Confident | 72.9 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | trans | -92.4 | 127.3 | 179 | -49.5 | 170.9 | 147.5 | 0 | 0 | 109.9 | E432 N433 H435 V439 K691 S748 | E432-E437 WeakPolarHBondContact CA-O 3.33Å; N433-E437 PolarHBondContact N-O 3.07Å; N433-E437 PolarHBondContact ND2-OE2 2.67Å; N433-E437 WeakPolarHBondContact OD1-CB 3.45Å; N433-E437 PolarHBondContact OD1-N 2.91Å; H435-E437 HydrophobicContact CB-CG 4.37Å; E437-V439 HydrophobicContact CB-CG1 4.49Å; E437-V439 PolarHBondContact O-N 3.39Å; E437-K691 IonicContact OE1-NZ 3.77Å; E437-K691 PolarHBondContact OE1-NZ 3.37Å; E437-K691 IonicContact OE2-NZ 2.87Å; E437-K691 PolarHBondContact OE2-NZ 3.26Å; E437-S748 PolarHBondContact OE1-OG 2.69Å | ||
| 438 | V | 73.9 | Confident | 73.8 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 107.3 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V430 V431 Q626 | V430-V438 HydrophobicContact CG1-CG1 3.16Å; V431-V438 CarbonylContact O-C 3.6Å; V438-Q626 PolarHBondContact O-NE2 2.89Å |
| 439 | V | 70.1 | Confident | 74.8 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.5 | -179.1 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | V431 N433 E437 | V431-V439 PolarHBondContact N-O 3.25Å; V431-V439 WeakPolarHBondContact O-CG2 3.39Å; V431-V439 PolarHBondContact O-N 3.14Å; N433-V439 HydrophobicContact CB-CG2 4.32Å; E437-V439 HydrophobicContact CB-CG1 4.49Å; E437-V439 PolarHBondContact O-N 3.39Å |
| 440 | R | 73 | Confident | 75.7 | Confident | 51 Ų | 51 | 72 Ų | 72 | 19% | 0.192 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.3 | 169.3 | -65.7 | -172.6 | -65.6 | 136.9 | -1.3 | 109.5 | V428 L429 V430 D580 D584 | V428-R440 HydrophobicContact CG1-CB 4.11Å; L429-R440 WeakPolarHBondContact O-CA 3.25Å; V430-R440 HydrophobicContact CG2-CG 4.35Å; R440-D580 IonicContact CZ-OD1 3.52Å; R440-D580 IonicContact CZ-OD2 2.87Å; R440-D580 IonicContact NE-OD1 3.68Å; R440-D580 PolarHBondContact NE-OD1 3.34Å; R440-D580 IonicContact NE-OD2 3.05Å; R440-D580 VanDerWaalsContact NH1-CB 3.25Å; R440-D580 IonicContact NH1-OD1 3.44Å; R440-D580 PolarHBondContact NH1-OD1 3.21Å; R440-D580 IonicContact NH1-OD2 3.95Å; R440-D580 IonicContact NH2-OD1 3.23Å; R440-D580 PolarHBondContact NH2-OD1 2.88Å; R440-D584 IonicContact NH1-OD2 2.65Å |
| 441 | E | 70.8 | Confident | 76.7 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.4 | 176.5 | -168.2 | 168.4 | -176.5 | 0 | 0 | 110.1 | V428 L429 V431 M443 | V428-E441 WeakPolarHBondContact CA-O 3.38Å; L429-E441 PolarHBondContact N-O 3.39Å; L429-E441 PolarHBondContact O-N 2.88Å; V431-E441 HydrophobicContact CG2-CB 4.44Å; E441-M443 PolarHBondContact O-N 3.15Å |
| 442 | F | 77.3 | Confident | 77.6 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.9 | 170 | -73.3 | -91.6 | 0 | 0 | 0 | 108.1 | V428 K444 | V428-F442 HydrophobicContact CG2-CD1 3.6Å; V428-F442 HydrophobicContact CG2-CE1 3.47Å; V428-F442 VanDerWaalsContact CG2-CE1 3.47Å; V428-F442 HydrophobicContact CG2-CG 4.35Å; V428-F442 HydrophobicContact CG2-CZ 4.13Å; F442-K444 PolarHBondContact O-N 2.85Å |
| 443 | M | 76.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | trans | -66.1 | 132.8 | 176.1 | -62.4 | -63.8 | -75.7 | 0 | 0 | 108.9 | E427 L429 E441 T446 L449 | E427-M443 HydrophobicContact CB-CB 4.29Å; E427-M443 HydrophobicContact CG-CB 4.37Å; E427-M443 HydrophobicContact CG-CG 4.29Å; E427-M443 PolarHBondContact O-N 2.92Å; L429-M443 HydrophobicContact CD1-CE 4.1Å; L429-M443 HydrophobicContact CD1-CG 3.85Å; L429-M443 HydrophobicContact CD1-SD 3.65Å; L429-M443 HydrophobicContact CG-CG 3.98Å; L429-M443 HydrophobicContact CG-SD 4.3Å; E441-M443 PolarHBondContact O-N 3.15Å; M443-T446 HydrophobicContact CB-CG2 3.6Å; M443-T446 HydrophobicContact CE-CG2 4.18Å; M443-T446 HydrophobicContact CG-CG2 4.39Å; M443-L449 WeakPolarHBondContact O-CD1 3.46Å | ||
| 444 | K | 70.4 | Confident | 79.2 | Confident | 176 Ų | 176 | 65.3 Ų | 65.3 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | trans | -107.2 | 144.1 | 171.6 | -65.5 | 179.9 | -177.4 | 174.3 | 0 | 108.5 | F442 T446 | F442-K444 PolarHBondContact O-N 2.85Å; K444-T446 PolarHBondContact O-N 3.4Å | ||
| 445 | D | 68.1 | Low | 80.5 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 64% | 0.642 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 56.5 | 41.5 | 171.5 | -54.8 | -42.1 | 0 | 0 | 0 | 115.5 | K453 | D445-K453 IonicContact OD1-NZ 2.71Å; D445-K453 PolarHBondContact OD1-NZ 2.96Å |
| 446 | T | 83 | Confident | 81.7 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | trans | -80.5 | 155.1 | 167.3 | 70.5 | 0 | 0 | 0 | 0 | 111 | E427 M443 K444 S448 L449 N450 | E427-T446 WeakPolarHBondContact OE2-CB 3.33Å; E427-T446 WeakPolarHBondContact OE2-CG2 3.5Å; E427-T446 PolarHBondContact OE2-OG1 3.11Å; M443-T446 HydrophobicContact CB-CG2 3.6Å; M443-T446 HydrophobicContact CE-CG2 4.18Å; M443-T446 HydrophobicContact CG-CG2 4.39Å; K444-T446 PolarHBondContact O-N 3.4Å; T446-S448 PolarHBondContact O-N 2.92Å; T446-S448 VanDerWaalsContact O-N 3.14Å; T446-L449 PolarHBondContact O-N 3Å; T446-L449 VanDerWaalsContact O-N 3.08Å; T446-L449 WeakPolarHBondContact OG1-CG 3.47Å; T446-L449 PolarHBondContact OG1-N 3.17Å; T446-N450 PolarHBondContact O-N 3.32Å | ||
| 447 | D | 86.7 | Confident | 82.9 | Confident | 75 Ų | 75 | 66 Ų | 66 | 40% | 0.401 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.6 | -29.2 | 174.1 | -177.7 | 73.2 | 0 | 0 | 0 | 112 | R364 K368 L451 | R364-D447 IonicContact CZ-OD2 3.97Å; R364-D447 IonicContact NE-OD2 3.39Å; R364-D447 PolarHBondContact NE-OD2 3.15Å; R364-D447 PolarHBondContact NH2-O 3.06Å; R364-D447 IonicContact NH2-OD2 2.76Å; R364-D447 PolarHBondContact NH2-OD2 3.14Å; K368-D447 WeakPolarHBondContact CE-OD1 3.5Å; K368-D447 WeakPolarHBondContact CE-OD2 2.91Å; K368-D447 IonicContact NZ-OD1 3.69Å; K368-D447 PolarHBondContact NZ-OD1 3.31Å; K368-D447 IonicContact NZ-OD2 3.63Å; K368-D447 PolarHBondContact NZ-OD2 2.93Å; D447-L451 WeakPolarHBondContact O-CB 3.41Å; D447-L451 PolarHBondContact O-N 3.25Å |
| 448 | S | 86.9 | Confident | 84.1 | Confident | 37 Ų | 37 | 64 Ų | 64 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | R364 T446 L451 Y452 | R364-S448 PolarHBondContact NH1-OG 3.2Å; R364-S448 PolarHBondContact NH2-OG 3.36Å; T446-S448 PolarHBondContact O-N 2.92Å; T446-S448 VanDerWaalsContact O-N 3.14Å; S448-L451 PolarHBondContact O-N 3.25Å; S448-Y452 PolarHBondContact O-N 2.63Å |
| 449 | L | 87.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 175 | -69 | 175.7 | 0 | 0 | 0 | 112 | P425 M443 T446 Y452 K453 | P425-L449 WeakPolarHBondContact O-CD2 3.38Å; M443-L449 WeakPolarHBondContact O-CD1 3.46Å; T446-L449 PolarHBondContact O-N 3Å; T446-L449 VanDerWaalsContact O-N 3.08Å; T446-L449 WeakPolarHBondContact OG1-CG 3.47Å; T446-L449 PolarHBondContact OG1-N 3.17Å; L449-Y452 PolarHBondContact O-N 3.01Å; L449-K453 VanDerWaalsContact O-CG 3.31Å; L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 3.46Å |
| 450 | N | 88.1 | Confident | 86.5 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 174 | -72.2 | -21.1 | 0 | 0 | 0 | 111.3 | T446 Y452 K453 S454 | T446-N450 PolarHBondContact O-N 3.32Å; N450-Y452 PolarHBondContact O-N 3.13Å; N450-K453 PolarHBondContact O-N 2.92Å; N450-S454 PolarHBondContact O-N 3.22Å; N450-S454 PolarHBondContact O-OG 2.87Å |
| 451 | L | 93.4 | Very high | 87.5 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 171.5 | 178.4 | 61.5 | 0 | 0 | 0 | 111.8 | F367 K368 L371 A423 D447 S448 K453 S454 M455 | F367-L451 HydrophobicContact CD1-CD1 3.92Å; F367-L451 HydrophobicContact CE1-CD1 4.03Å; K368-L451 HydrophobicContact CG-CD1 4.18Å; L371-L451 HydrophobicContact CD2-CD1 3.61Å; A423-L451 HydrophobicContact CB-CD2 4.19Å; A423-L451 HydrophobicContact CB-CG 4.1Å; D447-L451 WeakPolarHBondContact O-CB 3.41Å; D447-L451 PolarHBondContact O-N 3.25Å; S448-L451 PolarHBondContact O-N 3.25Å; L451-K453 PolarHBondContact O-N 3.17Å; L451-S454 PolarHBondContact O-N 3.24Å; L451-M455 HydrophobicContact CD1-CG 4.14Å; L451-M455 HydrophobicContact CD1-SD 4.32Å; L451-M455 HydrophobicContact CG-CG 4.46Å; L451-M455 HydrophobicContact CG-SD 4.28Å; L451-M455 WeakPolarHBondContact O-CB 3.44Å; L451-M455 VanDerWaalsContact O-CG 3.28Å; L451-M455 WeakPolarHBondContact O-CG 3.41Å; L451-M455 PolarHBondContact O-N 3.45Å |
| 452 | Y | 93.3 | Very high | 88.7 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 174.9 | 167.8 | -103.9 | 0 | 0 | 0 | 112.5 | M422 A423 P425 S448 L449 N450 S454 M455 R456 Y544 | M422-Y452 HydrophobicContact SD-CD2 3.96Å; M422-Y452 HydrophobicContact SD-CE2 4.14Å; A423-Y452 WeakPolarHBondContact O-CD2 3.23Å; P425-Y452 HydrophobicContact CB-CD1 4.25Å; P425-Y452 HydrophobicContact CB-CD2 4.08Å; P425-Y452 HydrophobicContact CB-CE1 3.81Å; P425-Y452 HydrophobicContact CB-CE2 3.64Å; P425-Y452 HydrophobicContact CB-CG 4.37Å; P425-Y452 VanDerWaalsContact CB-CZ 3.48Å; S448-Y452 PolarHBondContact O-N 2.63Å; L449-Y452 PolarHBondContact O-N 3.01Å; N450-Y452 PolarHBondContact O-N 3.13Å; Y452-S454 PolarHBondContact O-N 2.68Å; Y452-M455 PolarHBondContact O-N 2.81Å; Y452-R456 VanDerWaalsContact O-CB 3.22Å; Y452-R456 WeakPolarHBondContact O-CB 3.48Å; Y452-R456 PolarHBondContact O-N 3.29Å; Y452-Y544 PolarHBondContact OH-OH 3.32Å |
| 453 | K | 90.4 | Very high | 89.5 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 177.8 | -72.6 | 170.5 | -172.3 | 168.6 | 0 | 111.2 | D445 L449 N450 L451 R456 E457 | D445-K453 IonicContact OD1-NZ 2.71Å; D445-K453 PolarHBondContact OD1-NZ 2.96Å; L449-K453 VanDerWaalsContact O-CG 3.31Å; L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 3.46Å; N450-K453 PolarHBondContact O-N 2.92Å; L451-K453 PolarHBondContact O-N 3.17Å; K453-R456 PolarHBondContact O-N 3.18Å; K453-E457 WeakPolarHBondContact O-CB 3.33Å; K453-E457 PolarHBondContact O-N 3.13Å |
| 454 | S | 93.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 179.3 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | N450 L451 Y452 T458 | N450-S454 PolarHBondContact O-N 3.22Å; N450-S454 PolarHBondContact O-OG 2.87Å; L451-S454 PolarHBondContact O-N 3.24Å; Y452-S454 PolarHBondContact O-N 2.68Å; S454-T458 WeakPolarHBondContact O-CB 3.45Å; S454-T458 PolarHBondContact O-N 3.01Å; S454-T458 PolarHBondContact O-OG1 2.93Å |
| 455 | M | 97.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.8 | -70.1 | -170.1 | 76.8 | 0 | 0 | 111.8 | F367 L371 M418 R421 M422 A423 L451 Y452 T458 L459 | F367-M455 HydrophobicContact CE1-CE 3.73Å; F367-M455 HydrophobicContact CE1-CG 3.9Å; F367-M455 HydrophobicContact CE1-SD 3.63Å; F367-M455 HydrophobicContact CZ-CE 3.57Å; F367-M455 HydrophobicContact CZ-CG 4.41Å; F367-M455 HydrophobicContact CZ-SD 4.13Å; L371-M455 HydrophobicContact CD1-CG 4.25Å; L371-M455 HydrophobicContact CD2-CG 3.6Å; M418-M455 HydrophobicContact SD-CE 3.99Å; R421-M455 VanDerWaalsContact C-CE 3.43Å; R421-M455 HydrophobicContact CB-CE 4.07Å; R421-M455 VanDerWaalsContact O-CE 3.32Å; R421-M455 WeakPolarHBondContact O-CE 3.36Å; M422-M455 HydrophobicContact CE-CB 4.12Å; M422-M455 HydrophobicContact SD-CB 3.75Å; A423-M455 HydrophobicContact CB-SD 4.03Å; L451-M455 HydrophobicContact CD1-CG 4.14Å; L451-M455 HydrophobicContact CD1-SD 4.32Å; L451-M455 HydrophobicContact CG-CG 4.46Å; L451-M455 HydrophobicContact CG-SD 4.28Å; L451-M455 WeakPolarHBondContact O-CB 3.44Å; L451-M455 VanDerWaalsContact O-CG 3.28Å; L451-M455 WeakPolarHBondContact O-CG 3.41Å; L451-M455 PolarHBondContact O-N 3.45Å; Y452-M455 PolarHBondContact O-N 2.81Å; M455-T458 PolarHBondContact O-N 3.43Å; M455-L459 WeakPolarHBondContact O-CB 3.48Å; M455-L459 PolarHBondContact O-N 3.21Å |
| 456 | R | 95 | Very high | 92.5 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 42% | 0.419 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 175.9 | 170.1 | 171.4 | 173.9 | -109.2 | -3.2 | 110.8 | Y452 K453 T458 L459 V460 S501 | Y452-R456 VanDerWaalsContact O-CB 3.22Å; Y452-R456 WeakPolarHBondContact O-CB 3.48Å; Y452-R456 PolarHBondContact O-N 3.29Å; K453-R456 PolarHBondContact O-N 3.18Å; R456-T458 PolarHBondContact O-N 2.83Å; R456-L459 PolarHBondContact O-N 3.08Å; R456-V460 HydrophobicContact CG-CG2 4.31Å; R456-V460 WeakPolarHBondContact O-CB 3.37Å; R456-V460 WeakPolarHBondContact O-CG2 3.22Å; R456-V460 PolarHBondContact O-N 2.91Å; R456-S501 WeakPolarHBondContact CG-O 3.48Å; R456-S501 PolarHBondContact NE-O 2.94Å; R456-S501 VanDerWaalsContact NE-O 3.13Å |
| 457 | E | 94.2 | Very high | 93 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 178.6 | -179.2 | 174.9 | -146.1 | 0 | 0 | 111.7 | N375 K453 L459 V460 Y461 | N375-E457 PolarHBondContact ND2-OE2 3.24Å; K453-E457 WeakPolarHBondContact O-CB 3.33Å; K453-E457 PolarHBondContact O-N 3.13Å; E457-L459 VanDerWaalsContact C-N 3.34Å; E457-L459 PolarHBondContact O-N 3.48Å; E457-V460 PolarHBondContact O-N 3.37Å; E457-Y461 HydrophobicContact CG-CD2 3.94Å; E457-Y461 HydrophobicContact CG-CE2 3.45Å; E457-Y461 VanDerWaalsContact CG-CE2 3.45Å; E457-Y461 VanDerWaalsContact O-CD2 3.32Å; E457-Y461 WeakPolarHBondContact O-CD2 3.46Å; E457-Y461 PolarHBondContact O-N 3.46Å |
| 458 | T | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | L371 W374 N375 V378 M418 S454 M455 R456 V460 Y461 L462 | L371-T458 HydrophobicContact CD1-CG2 4.32Å; L371-T458 WeakPolarHBondContact CD1-OG1 3.46Å; W374-T458 HydrophobicContact CB-CG2 4.29Å; N375-T458 WeakPolarHBondContact CB-OG1 3.41Å; V378-T458 HydrophobicContact CG2-CG2 3.95Å; M418-T458 HydrophobicContact CE-CG2 4.47Å; M418-T458 HydrophobicContact CG-CG2 4.33Å; M418-T458 HydrophobicContact SD-CG2 4.23Å; S454-T458 WeakPolarHBondContact O-CB 3.45Å; S454-T458 PolarHBondContact O-N 3.01Å; S454-T458 PolarHBondContact O-OG1 2.93Å; M455-T458 PolarHBondContact O-N 3.43Å; R456-T458 PolarHBondContact O-N 2.83Å; T458-V460 PolarHBondContact O-N 3.45Å; T458-Y461 PolarHBondContact O-N 3.05Å; T458-L462 HydrophobicContact CG2-CD1 4.17Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.36Å |
| 459 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -33.7 | 179.5 | -172.5 | 59.9 | 0 | 0 | 0 | 112.3 | M418 I419 M422 M455 R456 E457 L462 T463 M474 A498 I502 | M418-L459 HydrophobicContact CB-CB 4.43Å; M418-L459 HydrophobicContact CB-CD1 4.08Å; I419-L459 HydrophobicContact CD1-CD1 4.45Å; I419-L459 HydrophobicContact CG1-CD1 4.03Å; I419-L459 HydrophobicContact CG1-CD2 4.07Å; M422-L459 HydrophobicContact CE-CB 4.22Å; M422-L459 HydrophobicContact CE-CD2 3.54Å; M455-L459 WeakPolarHBondContact O-CB 3.48Å; M455-L459 PolarHBondContact O-N 3.21Å; R456-L459 PolarHBondContact O-N 3.08Å; E457-L459 VanDerWaalsContact C-N 3.34Å; E457-L459 PolarHBondContact O-N 3.48Å; L459-L462 PolarHBondContact O-N 2.81Å; L459-T463 WeakPolarHBondContact O-CB 3.22Å; L459-T463 PolarHBondContact O-N 3.5Å; L459-T463 PolarHBondContact O-OG1 2.83Å; L459-M474 HydrophobicContact CD2-CE 4.02Å; L459-A498 HydrophobicContact CD2-CB 4.03Å; L459-I502 HydrophobicContact CB-CG2 4.41Å; L459-I502 HydrophobicContact CD2-CG2 3.72Å; L459-I502 HydrophobicContact CG-CG2 3.61Å |
| 460 | V | 95.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.4 | 166.8 | 0 | 0 | 0 | 0 | 111 | R456 E457 T458 T463 H464 A505 | R456-V460 HydrophobicContact CG-CG2 4.31Å; R456-V460 WeakPolarHBondContact O-CB 3.37Å; R456-V460 WeakPolarHBondContact O-CG2 3.22Å; R456-V460 PolarHBondContact O-N 2.91Å; E457-V460 PolarHBondContact O-N 3.37Å; T458-V460 PolarHBondContact O-N 3.45Å; V460-T463 WeakPolarHBondContact O-CB 3.2Å; V460-T463 PolarHBondContact O-N 3.14Å; V460-H464 PolarHBondContact O-N 3.13Å; V460-H464 PolarHBondContact O-ND1 3.11Å; V460-A505 HydrophobicContact CG1-CB 4.26Å |
| 461 | Y | 94.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.3 | -72.4 | -53.6 | 0 | 0 | 0 | 111.9 | V378 Y382 E457 T458 T463 H464 L465 | V378-Y461 HydrophobicContact CG2-CD2 3.94Å; V378-Y461 HydrophobicContact CG2-CG 4.18Å; Y382-Y461 AromaticContact CD1-CD1 3.52Å; Y382-Y461 HydrophobicContact CD1-CD1 3.52Å; Y382-Y461 AromaticContact CD1-CE1 3.49Å; Y382-Y461 HydrophobicContact CD1-CE1 3.49Å; Y382-Y461 VanDerWaalsContact CD1-CE1 3.49Å; Y382-Y461 HydrophobicContact CD2-CD1 4.49Å; Y382-Y461 HydrophobicContact CE1-CD1 4.21Å; Y382-Y461 HydrophobicContact CE1-CE1 4.01Å; Y382-Y461 AromaticContact CG-CD1 3.67Å; Y382-Y461 HydrophobicContact CG-CD1 3.67Å; Y382-Y461 HydrophobicContact CG-CE1 4.14Å; E457-Y461 HydrophobicContact CG-CD2 3.94Å; E457-Y461 HydrophobicContact CG-CE2 3.45Å; E457-Y461 VanDerWaalsContact CG-CE2 3.45Å; E457-Y461 VanDerWaalsContact O-CD2 3.32Å; E457-Y461 WeakPolarHBondContact O-CD2 3.46Å; E457-Y461 PolarHBondContact O-N 3.46Å; T458-Y461 PolarHBondContact O-N 3.05Å; Y461-T463 PolarHBondContact O-N 3.44Å; Y461-H464 PolarHBondContact O-N 3.07Å; Y461-H464 VanDerWaalsContact O-N 3.12Å; Y461-L465 WeakPolarHBondContact O-CG 3.47Å; Y461-L465 PolarHBondContact O-N 3.22Å |
| 462 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.4 | -35.6 | 174.8 | -73.8 | 168.7 | 0 | 0 | 0 | 112.7 | V378 L411 L414 R415 M418 T458 L459 D466 | V378-L462 HydrophobicContact CB-CD2 4.46Å; V378-L462 HydrophobicContact CB-CG 4.46Å; V378-L462 HydrophobicContact CG1-CD2 3.6Å; V378-L462 HydrophobicContact CG1-CG 3.87Å; L411-L462 HydrophobicContact CB-CD2 4.09Å; L411-L462 HydrophobicContact CD2-CD2 3.84Å; L411-L462 HydrophobicContact CG-CD2 4.47Å; L414-L462 HydrophobicContact CB-CD1 4.47Å; L414-L462 HydrophobicContact CD2-CD1 3.98Å; L414-L462 HydrophobicContact CD2-CD2 4.25Å; L414-L462 HydrophobicContact CG-CD1 3.89Å; R415-L462 HydrophobicContact CG-CB 3.77Å; R415-L462 HydrophobicContact CG-CD1 3.92Å; R415-L462 HydrophobicContact CG-CD2 4.23Å; R415-L462 HydrophobicContact CG-CG 4.2Å; R415-L462 PolarHBondContact NE-O 3.2Å; R415-L462 PolarHBondContact NH2-O 3.18Å; M418-L462 HydrophobicContact CG-CD1 4.23Å; T458-L462 HydrophobicContact CG2-CD1 4.17Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.36Å; L459-L462 PolarHBondContact O-N 2.81Å; L462-D466 PolarHBondContact O-N 3.38Å; L462-D466 VanDerWaalsContact O-N 3.13Å |
| 463 | T | 94.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L459 V460 Y461 D466 Y467 T470 I502 A505 M506 | L459-T463 WeakPolarHBondContact O-CB 3.22Å; L459-T463 PolarHBondContact O-N 3.5Å; L459-T463 PolarHBondContact O-OG1 2.83Å; V460-T463 WeakPolarHBondContact O-CB 3.2Å; V460-T463 PolarHBondContact O-N 3.14Å; Y461-T463 PolarHBondContact O-N 3.44Å; T463-D466 CarbonylContact O-C 3.23Å; T463-D466 VanDerWaalsContact O-C 3.23Å; T463-D466 PolarHBondContact O-N 2.86Å; T463-Y467 WeakPolarHBondContact O-CA 3.35Å; T463-Y467 WeakPolarHBondContact O-CB 3.48Å; T463-Y467 PolarHBondContact O-N 2.94Å; T463-T470 HydrophobicContact CG2-CG2 4.24Å; T463-I502 WeakPolarHBondContact OG1-CG2 3.06Å; T463-A505 HydrophobicContact CG2-CB 3.79Å; T463-M506 HydrophobicContact CG2-CE 4.28Å; T463-M506 HydrophobicContact CG2-CG 4.37Å |
| 464 | H | 90.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 38% | 0.375 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 174.9 | -73.8 | 97.1 | 0 | 0 | 0 | 112.6 | Y382 V460 Y461 | Y382-H464 HydrophobicContact CD2-CB 3.7Å; Y382-H464 HydrophobicContact CE2-CB 3.46Å; Y382-H464 VanDerWaalsContact CE2-CB 3.46Å; Y382-H464 AromaticContact CE2-CG 3.78Å; V460-H464 PolarHBondContact O-N 3.13Å; V460-H464 PolarHBondContact O-ND1 3.11Å; Y461-H464 PolarHBondContact O-N 3.07Å; Y461-H464 VanDerWaalsContact O-N 3.12Å |
| 465 | L | 91.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 177.9 | -70.9 | 172.4 | 0 | 0 | 0 | 112.6 | V378 L381 L411 Y461 | V378-L465 HydrophobicContact CB-CD1 4.42Å; L381-L465 HydrophobicContact CB-CD1 4.01Å; L381-L465 HydrophobicContact CB-CD2 4.24Å; L411-L465 HydrophobicContact CD1-CD1 4.32Å; Y461-L465 WeakPolarHBondContact O-CG 3.47Å; Y461-L465 PolarHBondContact O-N 3.22Å |
| 466 | D | 94.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | trans | -157 | 94.9 | 171.7 | -168.4 | -21.6 | 0 | 0 | 0 | 111 | R415 L462 T463 S468 D469 T470 | R415-D466 VanDerWaalsContact NH2-CB 3.35Å; L462-D466 PolarHBondContact O-N 3.38Å; L462-D466 VanDerWaalsContact O-N 3.13Å; T463-D466 CarbonylContact O-C 3.23Å; T463-D466 VanDerWaalsContact O-C 3.23Å; T463-D466 PolarHBondContact O-N 2.86Å; D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 3.32Å; D466-S468 WeakPolarHBondContact OD1-CB 3.33Å; D466-S468 PolarHBondContact OD1-N 2.71Å; D466-D469 HydrophobicContact CB-CB 4.14Å; D466-D469 PolarHBondContact OD1-N 3.46Å; D466-T470 PolarHBondContact O-N 3.27Å; D466-T470 PolarHBondContact O-OG1 3.02Å | ||
| 467 | Y | 94.2 | Very high | 96 | Very high | 87 Ų | 87 | 38 Ų | 38 | 34% | 0.341 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.3 | -27.4 | 179.8 | 84.1 | -89.7 | 0 | 0 | 0 | 111.5 | T463 T470 K471 D510 | T463-Y467 WeakPolarHBondContact O-CA 3.35Å; T463-Y467 WeakPolarHBondContact O-CB 3.48Å; T463-Y467 PolarHBondContact O-N 2.94Å; Y467-T470 PolarHBondContact O-N 3Å; Y467-K471 WeakPolarHBondContact O-CB 3.45Å; Y467-K471 PolarHBondContact O-N 3.44Å; Y467-D510 HydrophobicContact CE2-CB 4.23Å |
| 468 | S | 96.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 43% | 0.427 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.6 | -42.9 | -178.2 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | D466 K472 | D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 3.32Å; D466-S468 WeakPolarHBondContact OD1-CB 3.33Å; D466-S468 PolarHBondContact OD1-N 2.71Å; S468-K472 VanDerWaalsContact O-CB 3.3Å; S468-K472 WeakPolarHBondContact O-CB 3.43Å; S468-K472 PolarHBondContact O-N 2.74Å |
| 469 | D | 97.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 173.2 | -172.5 | 46.3 | 0 | 0 | 0 | 111.5 | S412 R415 D466 K471 K472 I473 | S412-D469 WeakPolarHBondContact CA-OD2 3.3Å; S412-D469 WeakPolarHBondContact CB-OD2 3.29Å; S412-D469 PolarHBondContact OG-OD1 3.06Å; S412-D469 PolarHBondContact OG-OD2 3.48Å; R415-D469 WeakPolarHBondContact CD-OD2 3.31Å; R415-D469 IonicContact CZ-OD2 2.65Å; R415-D469 IonicContact NE-OD2 3.89Å; R415-D469 IonicContact NH1-OD2 2.75Å; R415-D469 PolarHBondContact NH1-OD2 2.89Å; D466-D469 HydrophobicContact CB-CB 4.14Å; D466-D469 PolarHBondContact OD1-N 3.46Å; D469-K471 PolarHBondContact O-N 3.25Å; D469-K472 PolarHBondContact O-N 2.6Å; D469-I473 VanDerWaalsContact O-CG1 3.3Å; D469-I473 WeakPolarHBondContact O-CG1 3.27Å; D469-I473 PolarHBondContact O-N 3.34Å |
| 470 | T | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | R415 T463 D466 Y467 K472 I473 M474 I502 | R415-T470 WeakPolarHBondContact CD-OG1 3.44Å; R415-T470 PolarHBondContact NE-OG1 2.97Å; T463-T470 HydrophobicContact CG2-CG2 4.24Å; D466-T470 PolarHBondContact O-N 3.27Å; D466-T470 PolarHBondContact O-OG1 3.02Å; Y467-T470 PolarHBondContact O-N 3Å; T470-K472 PolarHBondContact O-N 3.01Å; T470-I473 PolarHBondContact O-N 3.11Å; T470-M474 HydrophobicContact CG2-CE 3.99Å; T470-M474 HydrophobicContact CG2-SD 4.24Å; T470-M474 WeakPolarHBondContact O-CG 3.36Å; T470-M474 PolarHBondContact O-N 3.35Å; T470-I502 HydrophobicContact CG2-CD1 4.37Å |
| 471 | K | 97.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.6 | 176.8 | 174 | 177.4 | 175.9 | 0 | 111.5 | Y467 D469 M474 I475 M506 S513 F514 | Y467-K471 WeakPolarHBondContact O-CB 3.45Å; Y467-K471 PolarHBondContact O-N 3.44Å; D469-K471 PolarHBondContact O-N 3.25Å; K471-M474 PolarHBondContact O-N 2.89Å; K471-I475 HydrophobicContact CG-CD1 3.71Å; K471-I475 HydrophobicContact CG-CG1 4.5Å; K471-I475 WeakPolarHBondContact O-CB 3.02Å; K471-I475 VanDerWaalsContact O-CG1 3.27Å; K471-I475 WeakPolarHBondContact O-CG1 3.45Å; K471-I475 PolarHBondContact O-N 2.94Å; K471-M506 HydrophobicContact CB-CE 4.19Å; K471-S513 PolarHBondContact NZ-OG 3.2Å; K471-F514 HydrophobicContact CG-CD2 4Å |
| 472 | K | 97.8 | Very high | 96.2 | Very high | 133 Ų | 133 | 38.9 Ų | 38.9 | 58% | 0.578 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.2 | -49.4 | 177.4 | 179.6 | -174.4 | 173.1 | -172.9 | 0 | 111.4 | S468 D469 T470 I475 E476 | S468-K472 VanDerWaalsContact O-CB 3.3Å; S468-K472 WeakPolarHBondContact O-CB 3.43Å; S468-K472 PolarHBondContact O-N 2.74Å; D469-K472 PolarHBondContact O-N 2.6Å; T470-K472 PolarHBondContact O-N 3.01Å; K472-I475 PolarHBondContact O-N 3.25Å; K472-E476 VanDerWaalsContact O-CB 3.29Å; K472-E476 WeakPolarHBondContact O-CB 3.5Å; K472-E476 PolarHBondContact O-N 3.26Å |
| 473 | I | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | -179.2 | -67 | 162.6 | 0 | 0 | 0 | 111.2 | R415 R416 I419 D469 T470 E476 K477 | R415-I473 HydrophobicContact CB-CD1 3.69Å; R416-I473 HydrophobicContact CG-CD1 3.86Å; R416-I473 HydrophobicContact CG-CG1 4.08Å; R416-I473 HydrophobicContact CG-CG2 3.79Å; I419-I473 HydrophobicContact CD1-CB 4.12Å; I419-I473 HydrophobicContact CD1-CG2 3.57Å; D469-I473 VanDerWaalsContact O-CG1 3.3Å; D469-I473 WeakPolarHBondContact O-CG1 3.27Å; D469-I473 PolarHBondContact O-N 3.34Å; T470-I473 PolarHBondContact O-N 3.11Å; I473-E476 PolarHBondContact O-N 3.31Å; I473-K477 HydrophobicContact CG2-CD 4.39Å; I473-K477 PolarHBondContact O-N 3.32Å |
| 474 | M | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | -180 | -71.4 | -177.6 | 172 | 0 | 0 | 112.1 | I419 L459 T470 K471 L478 L495 A498 I499 I502 F514 | I419-M474 HydrophobicContact CD1-CE 3.96Å; I419-M474 HydrophobicContact CD1-CG 3.72Å; I419-M474 HydrophobicContact CG1-CE 3.9Å; I419-M474 HydrophobicContact CG1-CG 4.38Å; L459-M474 HydrophobicContact CD2-CE 4.02Å; T470-M474 HydrophobicContact CG2-CE 3.99Å; T470-M474 HydrophobicContact CG2-SD 4.24Å; T470-M474 WeakPolarHBondContact O-CG 3.36Å; T470-M474 PolarHBondContact O-N 3.35Å; K471-M474 PolarHBondContact O-N 2.89Å; M474-L478 WeakPolarHBondContact O-CB 3.36Å; M474-L478 PolarHBondContact O-N 2.92Å; M474-L495 HydrophobicContact CB-CD1 4.43Å; M474-L495 HydrophobicContact CG-CD1 4.49Å; M474-A498 HydrophobicContact CE-CB 4.1Å; M474-I499 HydrophobicContact CB-CG1 4.48Å; M474-I499 HydrophobicContact CG-CG1 4.38Å; M474-I499 HydrophobicContact SD-CG1 3.81Å; M474-I502 HydrophobicContact CE-CD1 3.69Å; M474-I502 HydrophobicContact CE-CG1 4.04Å; M474-I502 HydrophobicContact CE-CG2 4.14Å; M474-I502 HydrophobicContact SD-CD1 3.62Å; M474-I502 HydrophobicContact SD-CG1 4.4Å; M474-F514 HydrophobicContact CB-CE2 4.18Å; M474-F514 HydrophobicContact CB-CZ 4.34Å; M474-F514 HydrophobicContact SD-CE2 4.4Å; M474-F514 HydrophobicContact SD-CZ 3.75Å |
| 475 | I | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.4 | -67.9 | 172.3 | 0 | 0 | 0 | 111 | K471 K472 K477 L478 Q479 F514 I517 | K471-I475 HydrophobicContact CG-CD1 3.71Å; K471-I475 HydrophobicContact CG-CG1 4.5Å; K471-I475 WeakPolarHBondContact O-CB 3.02Å; K471-I475 VanDerWaalsContact O-CG1 3.27Å; K471-I475 WeakPolarHBondContact O-CG1 3.45Å; K471-I475 PolarHBondContact O-N 2.94Å; K472-I475 PolarHBondContact O-N 3.25Å; I475-K477 PolarHBondContact O-N 3.47Å; I475-L478 PolarHBondContact O-N 3.3Å; I475-Q479 HydrophobicContact CG2-CG 4.44Å; I475-Q479 WeakPolarHBondContact O-CG 3.42Å; I475-Q479 PolarHBondContact O-N 3.4Å; I475-F514 HydrophobicContact CD1-CD2 4.5Å; I475-F514 HydrophobicContact CG1-CD2 4.47Å; I475-F514 HydrophobicContact CG1-CE2 4.41Å; I475-I517 HydrophobicContact CD1-CD1 4.1Å; I475-I517 HydrophobicContact CD1-CG2 4.38Å; I475-I517 HydrophobicContact CG1-CG2 4.42Å |
| 476 | E | 97.7 | Very high | 96.4 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 175.6 | -176.2 | -169.7 | 140.3 | 0 | 0 | 110.9 | R416 K472 I473 L478 Q479 H480 | R416-E476 IonicContact CZ-OE1 2.81Å; R416-E476 IonicContact CZ-OE2 2.74Å; R416-E476 IonicContact NH1-OE1 3.8Å; R416-E476 PolarHBondContact NH1-OE1 2.94Å; R416-E476 IonicContact NH1-OE2 3.01Å; R416-E476 PolarHBondContact NH1-OE2 3.44Å; R416-E476 IonicContact NH2-OE1 3.87Å; R416-E476 IonicContact NH2-OE2 3.59Å; R416-E476 PolarHBondContact NH2-OE2 3.48Å; K472-E476 VanDerWaalsContact O-CB 3.29Å; K472-E476 WeakPolarHBondContact O-CB 3.5Å; K472-E476 PolarHBondContact O-N 3.26Å; I473-E476 PolarHBondContact O-N 3.31Å; E476-L478 PolarHBondContact O-N 3.49Å; E476-Q479 WeakPolarHBondContact O-CB 3.33Å; E476-Q479 PolarHBondContact O-N 3.43Å; E476-H480 PolarHBondContact O-CD2 2.85Å; E476-H480 PolarHBondContact O-N 2.86Å |
| 477 | K | 97.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.5 | -77.8 | -175.9 | 164.5 | -70.1 | 0 | 113 | I419 S420 I473 I475 Q479 H480 Q481 E486 L495 | I419-K477 HydrophobicContact CG2-CD 3.74Å; S420-K477 WeakPolarHBondContact OG-CE 3.09Å; S420-K477 PolarHBondContact OG-NZ 2.98Å; I473-K477 HydrophobicContact CG2-CD 4.39Å; I473-K477 PolarHBondContact O-N 3.32Å; I475-K477 PolarHBondContact O-N 3.47Å; K477-Q479 VanDerWaalsContact C-N 3.33Å; K477-H480 PolarHBondContact O-N 3.48Å; K477-Q481 PolarHBondContact O-N 3.14Å; K477-Q481 VanDerWaalsContact O-N 3.14Å; K477-E486 IonicContact NZ-OE2 3.38Å; K477-L495 HydrophobicContact CB-CD1 3.95Å; K477-L495 HydrophobicContact CB-CD2 4.11Å |
| 478 | L | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 176.2 | -173.8 | 58.3 | 0 | 0 | 0 | 111.2 | M474 I475 E476 H480 Q481 V482 L495 V518 D521 L522 | M474-L478 WeakPolarHBondContact O-CB 3.36Å; M474-L478 PolarHBondContact O-N 2.92Å; I475-L478 PolarHBondContact O-N 3.3Å; E476-L478 PolarHBondContact O-N 3.49Å; L478-H480 VanDerWaalsContact C-N 3.32Å; L478-H480 PolarHBondContact O-N 2.93Å; L478-Q481 WeakPolarHBondContact O-CB 3.46Å; L478-Q481 PolarHBondContact O-N 3.09Å; L478-V482 WeakPolarHBondContact O-CG2 3.24Å; L478-V482 PolarHBondContact O-N 3.14Å; L478-L495 HydrophobicContact CB-CD2 3.97Å; L478-L495 HydrophobicContact CD1-CD2 4.09Å; L478-V518 HydrophobicContact CD2-CB 4.38Å; L478-V518 HydrophobicContact CD2-CG1 4.43Å; L478-V518 HydrophobicContact CD2-CG2 4.29Å; L478-D521 HydrophobicContact CD2-CB 3.83Å; L478-D521 HydrophobicContact CG-CB 4.22Å; L478-L522 HydrophobicContact CD1-CD2 3.89Å; L478-L522 HydrophobicContact CD1-CG 4.32Å |
| 479 | Q | 96.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 51.8 Ų | 51.8 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.5 | -72.6 | 174.3 | -10.4 | 0 | 0 | 112 | I475 E476 K477 Q481 V482 D483 | I475-Q479 HydrophobicContact CG2-CG 4.44Å; I475-Q479 WeakPolarHBondContact O-CG 3.42Å; I475-Q479 PolarHBondContact O-N 3.4Å; E476-Q479 WeakPolarHBondContact O-CB 3.33Å; E476-Q479 PolarHBondContact O-N 3.43Å; K477-Q479 VanDerWaalsContact C-N 3.33Å; Q479-Q481 PolarHBondContact O-N 3.15Å; Q479-V482 PolarHBondContact O-N 2.66Å; Q479-V482 VanDerWaalsContact O-N 3.16Å; Q479-D483 PolarHBondContact O-N 3.27Å |
| 480 | H | 97.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -23.3 | 173.9 | -63.6 | 176.8 | 0 | 0 | 0 | 113.5 | E476 K477 L478 D483 G484 R485 E486 | E476-H480 PolarHBondContact O-CD2 2.85Å; E476-H480 PolarHBondContact O-N 2.86Å; K477-H480 PolarHBondContact O-N 3.48Å; L478-H480 VanDerWaalsContact C-N 3.32Å; L478-H480 PolarHBondContact O-N 2.93Å; H480-D483 VanDerWaalsContact CA-OD1 3.3Å; H480-D483 WeakPolarHBondContact CA-OD1 3.47Å; H480-D483 VanDerWaalsContact O-OD1 3.07Å; H480-G484 CarbonylContact O-C 3.6Å; H480-G484 PolarHBondContact O-N 3.02Å; H480-R485 HydrophobicContact CB-CB 4.44Å; H480-R485 PolarHBondContact O-N 2.93Å; H480-R485 VanDerWaalsContact O-N 3.11Å; H480-E486 HydrophobicContact CB-CB 3.96Å; H480-E486 HydrophobicContact CB-CG 3.95Å; H480-E486 IonicContact CE1-OE1 2.76Å; H480-E486 IonicContact CG-OE1 3.88Å; H480-E486 IonicContact ND1-OE1 2.62Å; H480-E486 PolarHBondContact ND1-OE1 3.23Å; H480-E486 PolarHBondContact O-N 3.44Å |
| 481 | Q | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.7 | -40.5 | 170.1 | -63.6 | -57.9 | -53.9 | 0 | 0 | 111.6 | K477 L478 Q479 E486 L492 L495 L525 | K477-Q481 PolarHBondContact O-N 3.14Å; K477-Q481 VanDerWaalsContact O-N 3.14Å; L478-Q481 WeakPolarHBondContact O-CB 3.46Å; L478-Q481 PolarHBondContact O-N 3.09Å; Q479-Q481 PolarHBondContact O-N 3.15Å; Q481-E486 VanDerWaalsContact NE2-C 3.32Å; Q481-E486 PolarHBondContact NE2-O 2.92Å; Q481-L492 HydrophobicContact CB-CD1 4.47Å; Q481-L492 HydrophobicContact CG-CD1 4.2Å; Q481-L495 HydrophobicContact CG-CD2 4.23Å; Q481-L525 HydrophobicContact CB-CD2 4.33Å |
| 482 | V | 94.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 57 Ų | 57 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.9 | -45.1 | -178.7 | 174.5 | 0 | 0 | 0 | 0 | 112 | L478 Q479 G484 D521 Q528 | L478-V482 WeakPolarHBondContact O-CG2 3.24Å; L478-V482 PolarHBondContact O-N 3.14Å; Q479-V482 PolarHBondContact O-N 2.66Å; Q479-V482 VanDerWaalsContact O-N 3.16Å; V482-G484 VanDerWaalsContact C-N 3.27Å; V482-G484 PolarHBondContact O-N 2.91Å; V482-D521 HydrophobicContact CG2-CB 4.4Å; V482-Q528 PolarHBondContact O-NE2 2.78Å; V482-Q528 PolarHBondContact O-OE1 3.04Å |
| 483 | D | 94.4 | Very high | 95.7 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 43% | 0.428 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -77.2 | -14.6 | 178.6 | 79.2 | -1.3 | 0 | 0 | 0 | 113.5 | Q479 H480 R485 | Q479-D483 PolarHBondContact O-N 3.27Å; H480-D483 VanDerWaalsContact CA-OD1 3.3Å; H480-D483 WeakPolarHBondContact CA-OD1 3.47Å; H480-D483 VanDerWaalsContact O-OD1 3.07Å; D483-R485 WeakPolarHBondContact OD1-CB 3.16Å; D483-R485 VanDerWaalsContact OD1-CG 3.31Å; D483-R485 WeakPolarHBondContact OD1-CG 3.39Å; D483-R485 PolarHBondContact OD1-N 2.95Å; D483-R485 VanDerWaalsContact OD2-CD 3.32Å; D483-R485 WeakPolarHBondContact OD2-CD 3.3Å; D483-R485 IonicContact OD2-CZ 2.82Å; D483-R485 IonicContact OD2-NE 3.69Å; D483-R485 PolarHBondContact OD2-NE 3.27Å; D483-R485 IonicContact OD2-NH2 3.48Å |
| 484 | G | 92.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 92.3 | 0.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | H480 V482 E486 | H480-G484 CarbonylContact O-C 3.6Å; H480-G484 PolarHBondContact O-N 3.02Å; V482-G484 VanDerWaalsContact C-N 3.27Å; V482-G484 PolarHBondContact O-N 2.91Å; G484-E486 VanDerWaalsContact C-N 3.33Å; G484-E486 PolarHBondContact O-N 2.95Å |
| 485 | R | 95 | Very high | 95.6 | Very high | 193 Ų | 193 | 52.5 Ų | 52.5 | 73% | 0.728 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -61 | -38.9 | 179.9 | -71.1 | 178.6 | -156.2 | -165.6 | -1.8 | 113.4 | H480 D483 | H480-R485 HydrophobicContact CB-CB 4.44Å; H480-R485 PolarHBondContact O-N 2.93Å; H480-R485 VanDerWaalsContact O-N 3.11Å; D483-R485 WeakPolarHBondContact OD1-CB 3.16Å; D483-R485 VanDerWaalsContact OD1-CG 3.31Å; D483-R485 WeakPolarHBondContact OD1-CG 3.39Å; D483-R485 PolarHBondContact OD1-N 2.95Å; D483-R485 VanDerWaalsContact OD2-CD 3.32Å; D483-R485 WeakPolarHBondContact OD2-CD 3.3Å; D483-R485 IonicContact OD2-CZ 2.82Å; D483-R485 IonicContact OD2-NE 3.69Å; D483-R485 PolarHBondContact OD2-NE 3.27Å; D483-R485 IonicContact OD2-NH2 3.48Å |
| 486 | E | 94.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -118.5 | 14.2 | -178.1 | -68.6 | 179.8 | -157.5 | 0 | 0 | 112.3 | K477 H480 Q481 G484 S488 N491 | K477-E486 IonicContact NZ-OE2 3.38Å; H480-E486 HydrophobicContact CB-CB 3.96Å; H480-E486 HydrophobicContact CB-CG 3.95Å; H480-E486 IonicContact CE1-OE1 2.76Å; H480-E486 IonicContact CG-OE1 3.88Å; H480-E486 IonicContact ND1-OE1 2.62Å; H480-E486 PolarHBondContact ND1-OE1 3.23Å; H480-E486 PolarHBondContact O-N 3.44Å; Q481-E486 VanDerWaalsContact NE2-C 3.32Å; Q481-E486 PolarHBondContact NE2-O 2.92Å; G484-E486 VanDerWaalsContact C-N 3.33Å; G484-E486 PolarHBondContact O-N 2.95Å; E486-S488 PolarHBondContact O-N 2.85Å; E486-S488 VanDerWaalsContact O-N 3.09Å; E486-N491 PolarHBondContact O-ND2 3Å |
| 487 | W | 95.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | trans | -58.9 | 115.4 | -175.1 | 169.8 | -100.4 | 0 | 0 | 0 | 112.3 | L492 L525 K529 N534 V538 | W487-L492 HydrophobicContact CH2-CD2 4.25Å; W487-L492 HydrophobicContact CZ3-CD2 3.9Å; W487-L525 HydrophobicContact CE3-CD1 4.3Å; W487-L525 HydrophobicContact CE3-CD2 4.4Å; W487-L525 HydrophobicContact CZ3-CD1 4.08Å; W487-L525 HydrophobicContact CZ3-CD2 3.81Å; W487-L525 HydrophobicContact CZ3-CG 4.07Å; W487-K529 HydrophobicContact CD2-CD 4.17Å; W487-K529 HydrophobicContact CE3-CD 4.4Å; W487-K529 VanDerWaalsContact CE3-CE 3.46Å; W487-K529 HydrophobicContact CH2-CD 4.05Å; W487-K529 HydrophobicContact CH2-CG 3.86Å; W487-K529 HydrophobicContact CZ2-CD 3.79Å; W487-K529 HydrophobicContact CZ2-CG 4.03Å; W487-K529 HydrophobicContact CZ3-CD 4.32Å; W487-K529 HydrophobicContact CZ3-CG 4.24Å; W487-N534 HydrophobicContact CZ2-CB 4.43Å; W487-V538 HydrophobicContact CH2-CG2 3.83Å; W487-V538 HydrophobicContact CZ3-CG2 4.26Å | ||
| 488 | S | 94.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | trans | -156.6 | 156.6 | 165.5 | 73.3 | 0 | 0 | 0 | 0 | 109.5 | E486 H490 N491 L492 | E486-S488 PolarHBondContact O-N 2.85Å; E486-S488 VanDerWaalsContact O-N 3.09Å; S488-H490 PolarHBondContact O-N 2.98Å; S488-N491 PolarHBondContact O-N 3.38Å; S488-N491 VanDerWaalsContact OG-CB 3.3Å; S488-N491 WeakPolarHBondContact OG-CB 3.44Å; S488-N491 PolarHBondContact OG-N 2.98Å; S488-N491 PolarHBondContact OG-ND2 3.34Å; S488-N491 VanDerWaalsContact OG-ND2 3.16Å; S488-L492 PolarHBondContact O-N 3.32Å; S488-L492 VanDerWaalsContact O-N 3.07Å | ||
| 489 | W | 93.3 | Very high | 95.6 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 45% | 0.451 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.5 | -58.1 | -16.6 | 0 | 0 | 0 | 111.2 | N493 D533 N534 I537 | W489-N493 VanDerWaalsContact O-CB 3.24Å; W489-N493 WeakPolarHBondContact O-CB 3.48Å; W489-N493 PolarHBondContact O-N 3.12Å; W489-N493 PolarHBondContact O-ND2 2.67Å; W489-D533 HydrophobicContact CH2-CB 4.29Å; W489-D533 HydrophobicContact CZ2-CB 3.95Å; W489-N534 PolarHBondContact NE1-OD1 3.31Å; W489-I537 HydrophobicContact CB-CG2 4.19Å; W489-I537 HydrophobicContact CD2-CG1 4.14Å; W489-I537 HydrophobicContact CG-CG1 4.06Å; W489-I537 HydrophobicContact CG-CG2 4.23Å |
| 490 | H | 92.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -52.6 | 177.6 | -179.9 | 71.2 | 0 | 0 | 0 | 111.9 | S488 L492 N493 T494 | S488-H490 PolarHBondContact O-N 2.98Å; H490-L492 PolarHBondContact O-N 3.48Å; H490-N493 PolarHBondContact O-N 3.18Å; H490-T494 WeakPolarHBondContact O-CB 3.4Å; H490-T494 PolarHBondContact O-N 3.2Å; H490-T494 PolarHBondContact O-OG1 2.84Å |
| 491 | N | 95.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.1 | -40.2 | -176.6 | -67.2 | -16.7 | 0 | 0 | 0 | 112.2 | E486 S488 L495 | E486-N491 PolarHBondContact O-ND2 3Å; S488-N491 PolarHBondContact O-N 3.38Å; S488-N491 VanDerWaalsContact OG-CB 3.3Å; S488-N491 WeakPolarHBondContact OG-CB 3.44Å; S488-N491 PolarHBondContact OG-N 2.98Å; S488-N491 PolarHBondContact OG-ND2 3.34Å; S488-N491 VanDerWaalsContact OG-ND2 3.16Å; N491-L495 VanDerWaalsContact O-CB 3.23Å; N491-L495 WeakPolarHBondContact O-CB 3.2Å; N491-L495 PolarHBondContact O-N 2.59Å |
| 492 | L | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 175.7 | -177.2 | 68.3 | 0 | 0 | 0 | 111.3 | Q481 W487 S488 H490 L495 C496 L522 L525 I537 V538 | Q481-L492 HydrophobicContact CB-CD1 4.47Å; Q481-L492 HydrophobicContact CG-CD1 4.2Å; W487-L492 HydrophobicContact CH2-CD2 4.25Å; W487-L492 HydrophobicContact CZ3-CD2 3.9Å; S488-L492 PolarHBondContact O-N 3.32Å; S488-L492 VanDerWaalsContact O-N 3.07Å; H490-L492 PolarHBondContact O-N 3.48Å; L492-L495 PolarHBondContact O-N 3.24Å; L492-C496 WeakPolarHBondContact O-CB 3.49Å; L492-C496 PolarHBondContact O-N 2.78Å; L492-C496 PolarHBondContact O-SG 3.21Å; L492-L522 HydrophobicContact CD1-CD2 3.86Å; L492-L525 HydrophobicContact CD1-CD2 4.02Å; L492-L525 HydrophobicContact CD2-CD2 4.33Å; L492-I537 HydrophobicContact CD2-CG2 4.31Å; L492-V538 HydrophobicContact CD2-CG2 3.88Å |
| 493 | N | 94.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -53.6 | 178.9 | -75.7 | -14.6 | 0 | 0 | 0 | 111.1 | W489 H490 L495 C496 W497 N541 | W489-N493 VanDerWaalsContact O-CB 3.24Å; W489-N493 WeakPolarHBondContact O-CB 3.48Å; W489-N493 PolarHBondContact O-N 3.12Å; W489-N493 PolarHBondContact O-ND2 2.67Å; H490-N493 PolarHBondContact O-N 3.18Å; N493-L495 VanDerWaalsContact C-N 3.32Å; N493-L495 PolarHBondContact O-N 2.92Å; N493-C496 PolarHBondContact O-N 2.9Å; N493-W497 HydrophobicContact CB-CD2 4.39Å; N493-W497 HydrophobicContact CB-CH2 3.96Å; N493-W497 HydrophobicContact CB-CZ2 3.71Å; N493-W497 HydrophobicContact CB-CZ3 4.39Å; N493-W497 WeakPolarHBondContact O-CB 3.42Å; N493-W497 VanDerWaalsContact O-CD2 3.29Å; N493-W497 PolarHBondContact O-N 3.28Å; N493-N541 WeakPolarHBondContact CA-OD1 3.3Å; N493-N541 PolarHBondContact OD1-ND2 2.99Å; N493-N541 PolarHBondContact OD1-OD1 2.95Å |
| 494 | T | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | -178.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | I419 S420 M422 H490 A498 | I419-T494 VanDerWaalsContact O-CG2 3.24Å; I419-T494 WeakPolarHBondContact O-CG2 3.39Å; S420-T494 WeakPolarHBondContact O-CG2 3.46Å; M422-T494 HydrophobicContact CB-CG2 3.98Å; M422-T494 VanDerWaalsContact N-CG2 3.26Å; H490-T494 WeakPolarHBondContact O-CB 3.4Å; H490-T494 PolarHBondContact O-N 3.2Å; H490-T494 PolarHBondContact O-OG1 2.84Å; T494-A498 WeakPolarHBondContact O-CB 3.42Å; T494-A498 PolarHBondContact O-N 3.36Å |
| 495 | L | 97.7 | Very high | 95 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 171.9 | 175.1 | 61.9 | 0 | 0 | 0 | 111.9 | I419 M474 K477 L478 Q481 N491 L492 N493 A498 I499 | I419-L495 HydrophobicContact CG2-CD1 3.93Å; M474-L495 HydrophobicContact CB-CD1 4.43Å; M474-L495 HydrophobicContact CG-CD1 4.49Å; K477-L495 HydrophobicContact CB-CD1 3.95Å; K477-L495 HydrophobicContact CB-CD2 4.11Å; L478-L495 HydrophobicContact CB-CD2 3.97Å; L478-L495 HydrophobicContact CD1-CD2 4.09Å; Q481-L495 HydrophobicContact CG-CD2 4.23Å; N491-L495 VanDerWaalsContact O-CB 3.23Å; N491-L495 WeakPolarHBondContact O-CB 3.2Å; N491-L495 PolarHBondContact O-N 2.59Å; L492-L495 PolarHBondContact O-N 3.24Å; N493-L495 VanDerWaalsContact C-N 3.32Å; N493-L495 PolarHBondContact O-N 2.92Å; L495-A498 WeakPolarHBondContact O-CB 3.43Å; L495-A498 PolarHBondContact O-N 2.96Å; L495-I499 HydrophobicContact CD1-CD1 4.11Å; L495-I499 HydrophobicContact CD1-CG1 4.3Å; L495-I499 HydrophobicContact CG-CD1 3.97Å; L495-I499 VanDerWaalsContact O-CG1 3.29Å; L495-I499 WeakPolarHBondContact O-CG1 3.22Å; L495-I499 PolarHBondContact O-N 3.46Å |
| 496 | C | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.5 | -32.7 | -178.3 | -74 | 0 | 0 | 0 | 0 | 112.7 | L492 N493 I499 G500 N541 Y544 V545 | L492-C496 WeakPolarHBondContact O-CB 3.49Å; L492-C496 PolarHBondContact O-N 2.78Å; L492-C496 PolarHBondContact O-SG 3.21Å; N493-C496 PolarHBondContact O-N 2.9Å; C496-I499 PolarHBondContact O-N 3.35Å; C496-G500 PolarHBondContact O-N 2.84Å; C496-N541 HydrophobicContact CB-CB 3.81Å; C496-N541 WeakPolarHBondContact CB-OD1 3.4Å; C496-Y544 WeakPolarHBondContact O-CE1 3.43Å; C496-V545 HydrophobicContact CB-CG2 4.09Å |
| 497 | W | 97.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 34.4 Ų | 34.4 | 17% | 0.167 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 168.5 | -61 | -20 | 0 | 0 | 0 | 111.1 | M422 R424 P425 N493 G500 S501 | M422-W497 HydrophobicContact CB-CB 4.36Å; M422-W497 HydrophobicContact CG-CB 3.81Å; R424-W497 HydrophobicContact CB-CE3 4.37Å; R424-W497 HydrophobicContact CB-CH2 3.77Å; R424-W497 HydrophobicContact CB-CZ2 4.1Å; R424-W497 HydrophobicContact CB-CZ3 3.92Å; R424-W497 HydrophobicContact CG-CH2 3.94Å; R424-W497 HydrophobicContact CG-CZ2 3.79Å; P425-W497 HydrophobicContact CG-CG 4.33Å; N493-W497 HydrophobicContact CB-CD2 4.39Å; N493-W497 HydrophobicContact CB-CH2 3.96Å; N493-W497 HydrophobicContact CB-CZ2 3.71Å; N493-W497 HydrophobicContact CB-CZ3 4.39Å; N493-W497 WeakPolarHBondContact O-CB 3.42Å; N493-W497 VanDerWaalsContact O-CD2 3.29Å; N493-W497 PolarHBondContact O-N 3.28Å; W497-G500 PolarHBondContact O-N 2.96Å; W497-S501 VanDerWaalsContact O-CB 3.31Å; W497-S501 WeakPolarHBondContact O-CB 3.19Å; W497-S501 PolarHBondContact O-N 3.15Å |
| 498 | A | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I419 M422 L459 M474 T494 L495 S501 I502 | I419-A498 HydrophobicContact CB-CB 4.22Å; I419-A498 HydrophobicContact CG1-CB 4.15Å; I419-A498 HydrophobicContact CG2-CB 4.04Å; M422-A498 HydrophobicContact CB-CB 4.03Å; M422-A498 HydrophobicContact CE-CB 4.31Å; M422-A498 HydrophobicContact CG-CB 4.27Å; L459-A498 HydrophobicContact CD2-CB 4.03Å; M474-A498 HydrophobicContact CE-CB 4.1Å; T494-A498 WeakPolarHBondContact O-CB 3.42Å; T494-A498 PolarHBondContact O-N 3.36Å; L495-A498 WeakPolarHBondContact O-CB 3.43Å; L495-A498 PolarHBondContact O-N 2.96Å; A498-S501 PolarHBondContact O-N 3.25Å; A498-S501 PolarHBondContact O-OG 3.07Å; A498-I502 PolarHBondContact O-N 3.48Å |
| 499 | I | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 174.1 | -69.1 | 170.6 | 0 | 0 | 0 | 110.3 | M474 L495 C496 S501 I502 F514 V518 V545 Y549 | M474-I499 HydrophobicContact CB-CG1 4.48Å; M474-I499 HydrophobicContact CG-CG1 4.38Å; M474-I499 HydrophobicContact SD-CG1 3.81Å; L495-I499 HydrophobicContact CD1-CD1 4.11Å; L495-I499 HydrophobicContact CD1-CG1 4.3Å; L495-I499 HydrophobicContact CG-CD1 3.97Å; L495-I499 VanDerWaalsContact O-CG1 3.29Å; L495-I499 WeakPolarHBondContact O-CG1 3.22Å; L495-I499 PolarHBondContact O-N 3.46Å; C496-I499 PolarHBondContact O-N 3.35Å; I499-S501 VanDerWaalsContact C-N 3.29Å; I499-S501 PolarHBondContact O-N 3.1Å; I499-I502 WeakPolarHBondContact O-CG1 3.37Å; I499-I502 PolarHBondContact O-N 3.47Å; I499-F514 HydrophobicContact CG1-CZ 4.15Å; I499-F514 HydrophobicContact CG2-CE1 4.01Å; I499-F514 HydrophobicContact CG2-CZ 4.05Å; I499-V518 HydrophobicContact CD1-CG1 4.02Å; I499-V518 HydrophobicContact CD1-CG2 4.23Å; I499-V518 HydrophobicContact CG2-CG1 4.27Å; I499-V545 HydrophobicContact CB-CG2 4.47Å; I499-V545 HydrophobicContact CG2-CG1 4.09Å; I499-V545 HydrophobicContact CG2-CG2 4.07Å; I499-Y549 HydrophobicContact CG2-CE2 4.23Å; I499-Y549 PolarHBondContact O-OH 3.14Å |
| 500 | G | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -32.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C496 W497 I502 S503 | C496-G500 PolarHBondContact O-N 2.84Å; W497-G500 PolarHBondContact O-N 2.96Å; G500-I502 VanDerWaalsContact C-N 3.3Å; G500-I502 PolarHBondContact O-N 3.01Å; G500-S503 WeakPolarHBondContact O-CB 3.37Å; G500-S503 PolarHBondContact O-N 3.39Å |
| 501 | S | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -29.2 | -176.8 | 77.9 | 0 | 0 | 0 | 0 | 114.1 | R456 W497 A498 I499 S503 | R456-S501 WeakPolarHBondContact CG-O 3.48Å; R456-S501 PolarHBondContact NE-O 2.94Å; R456-S501 VanDerWaalsContact NE-O 3.13Å; W497-S501 VanDerWaalsContact O-CB 3.31Å; W497-S501 WeakPolarHBondContact O-CB 3.19Å; W497-S501 PolarHBondContact O-N 3.15Å; A498-S501 PolarHBondContact O-N 3.25Å; A498-S501 PolarHBondContact O-OG 3.07Å; I499-S501 VanDerWaalsContact C-N 3.29Å; I499-S501 PolarHBondContact O-N 3.1Å; S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 3.41Å |
| 502 | I | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 10.2 | -178.5 | 62.8 | 157.1 | 0 | 0 | 0 | 113.7 | L459 T463 T470 M474 A498 I499 G500 G504 A505 M506 F514 | L459-I502 HydrophobicContact CB-CG2 4.41Å; L459-I502 HydrophobicContact CD2-CG2 3.72Å; L459-I502 HydrophobicContact CG-CG2 3.61Å; T463-I502 WeakPolarHBondContact OG1-CG2 3.06Å; T470-I502 HydrophobicContact CG2-CD1 4.37Å; M474-I502 HydrophobicContact CE-CD1 3.69Å; M474-I502 HydrophobicContact CE-CG1 4.04Å; M474-I502 HydrophobicContact CE-CG2 4.14Å; M474-I502 HydrophobicContact SD-CD1 3.62Å; M474-I502 HydrophobicContact SD-CG1 4.4Å; A498-I502 PolarHBondContact O-N 3.48Å; I499-I502 WeakPolarHBondContact O-CG1 3.37Å; I499-I502 PolarHBondContact O-N 3.47Å; G500-I502 VanDerWaalsContact C-N 3.3Å; G500-I502 PolarHBondContact O-N 3.01Å; I502-G504 PolarHBondContact O-N 2.99Å; I502-A505 HydrophobicContact CB-CB 4.41Å; I502-A505 VanDerWaalsContact O-CB 3.26Å; I502-A505 WeakPolarHBondContact O-CB 3.42Å; I502-A505 PolarHBondContact O-N 2.91Å; I502-M506 HydrophobicContact CD1-CE 3.86Å; I502-F514 HydrophobicContact CD1-CE1 4.24Å |
| 503 | S | 93.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 37 Ų | 37 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 126.9 | 175.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | G500 S501 Q548 | G500-S503 WeakPolarHBondContact O-CB 3.37Å; G500-S503 PolarHBondContact O-N 3.39Å; S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 3.41Å; S503-Q548 VanDerWaalsContact CB-O 3.24Å; S503-Q548 WeakPolarHBondContact CB-O 3.49Å; S503-Q548 PolarHBondContact OG-O 2.87Å |
| 504 | G | 90.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 49% | 0.485 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -3.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I502 E511 | I502-G504 PolarHBondContact O-N 2.99Å; G504-E511 PolarHBondContact N-OE2 3.32Å |
| 505 | A | 91.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -84 | -9.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V460 T463 I502 | V460-A505 HydrophobicContact CG1-CB 4.26Å; T463-A505 HydrophobicContact CG2-CB 3.79Å; I502-A505 HydrophobicContact CB-CB 4.41Å; I502-A505 VanDerWaalsContact O-CB 3.26Å; I502-A505 WeakPolarHBondContact O-CB 3.42Å; I502-A505 PolarHBondContact O-N 2.91Å |
| 506 | M | 92 | Very high | 94 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -107.6 | 158.2 | 175.9 | -65.5 | 177.9 | -178.2 | 0 | 0 | 110.7 | T463 K471 I502 D510 E511 F514 R551 | T463-M506 HydrophobicContact CG2-CE 4.28Å; T463-M506 HydrophobicContact CG2-CG 4.37Å; K471-M506 HydrophobicContact CB-CE 4.19Å; I502-M506 HydrophobicContact CD1-CE 3.86Å; M506-D510 HydrophobicContact CB-CB 4.27Å; M506-E511 HydrophobicContact CB-CB 4.1Å; M506-F514 HydrophobicContact CE-CD1 4.35Å; M506-F514 HydrophobicContact CE-CG 4.45Å; M506-F514 HydrophobicContact SD-CB 4.21Å; M506-F514 HydrophobicContact SD-CD1 4.09Å; M506-F514 HydrophobicContact SD-CG 4.24Å; M506-R551 PolarHBondContact O-NH2 3.01Å |
| 507 | Q | 90.7 | Very high | 93.9 | Very high | 142 Ų | 142 | 40.9 Ų | 40.9 | 66% | 0.664 | 22% | 0.218 | S | C | * | . | trans | -63.8 | 157.3 | 166.3 | -65 | -63.1 | -18.8 | 0 | 0 | 110.4 | D509 D510 E511 | Q507-D509 PolarHBondContact O-N 2.94Å; Q507-D510 PolarHBondContact O-N 3.02Å; Q507-E511 VanDerWaalsContact O-CB 3.31Å; Q507-E511 WeakPolarHBondContact O-CB 3.45Å; Q507-E511 PolarHBondContact O-N 2.92Å | ||
| 508 | E | 90.2 | Very high | 93.9 | Very high | 101 Ų | 101 | 38.9 Ų | 38.9 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -41.2 | -172.2 | -171.6 | 170.5 | 173.3 | 0 | 0 | 113.3 | R512 | E508-R512 VanDerWaalsContact O-CB 3.29Å; E508-R512 WeakPolarHBondContact O-CB 3.34Å; E508-R512 PolarHBondContact O-N 3.11Å |
| 509 | D | 92.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 39.5 Ų | 39.5 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.3 | -39.8 | 176.9 | -74.6 | -35.1 | 0 | 0 | 0 | 112.5 | Q507 R512 S513 | Q507-D509 PolarHBondContact O-N 2.94Å; D509-R512 PolarHBondContact O-N 3.23Å; D509-S513 PolarHBondContact O-N 2.65Å |
| 510 | D | 93.4 | Very high | 93.4 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 177.3 | -71.2 | -49.1 | 0 | 0 | 0 | 111.4 | Y467 M506 Q507 R512 S513 F514 | Y467-D510 HydrophobicContact CE2-CB 4.23Å; M506-D510 HydrophobicContact CB-CB 4.27Å; Q507-D510 PolarHBondContact O-N 3.02Å; D510-R512 VanDerWaalsContact C-N 3.33Å; D510-R512 PolarHBondContact O-N 2.98Å; D510-S513 PolarHBondContact O-N 3.25Å; D510-S513 PolarHBondContact O-OG 3.05Å; D510-F514 WeakPolarHBondContact O-CB 3.24Å; D510-F514 PolarHBondContact O-N 3.48Å |
| 511 | E | 92.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 174 | -178 | 172.4 | 92.7 | 0 | 0 | 110.5 | G504 M506 Q507 S513 F514 L515 Y549 R551 | G504-E511 PolarHBondContact N-OE2 3.32Å; M506-E511 HydrophobicContact CB-CB 4.1Å; Q507-E511 VanDerWaalsContact O-CB 3.31Å; Q507-E511 WeakPolarHBondContact O-CB 3.45Å; Q507-E511 PolarHBondContact O-N 2.92Å; E511-S513 PolarHBondContact O-N 3.47Å; E511-F514 PolarHBondContact O-N 3.3Å; E511-L515 HydrophobicContact CG-CD1 3.84Å; E511-L515 HydrophobicContact CG-CG 4.27Å; E511-L515 WeakPolarHBondContact O-CB 3.14Å; E511-L515 VanDerWaalsContact O-CG 3.29Å; E511-L515 WeakPolarHBondContact O-CG 3.34Å; E511-L515 PolarHBondContact O-N 3.29Å; E511-Y549 HydrophobicContact CG-CD1 3.88Å; E511-Y549 HydrophobicContact CG-CE1 3.79Å; E511-Y549 WeakPolarHBondContact OE2-CE1 3.4Å; E511-R551 IonicContact OE1-CZ 3.15Å; E511-R551 IonicContact OE1-NE 3.48Å; E511-R551 PolarHBondContact OE1-NE 2.7Å; E511-R551 IonicContact OE1-NH2 3.94Å; E511-R551 PolarHBondContact OE1-NH2 3.44Å; E511-R551 VanDerWaalsContact OE1-NH2 3.13Å; E511-R551 IonicContact OE2-CZ 2.87Å; E511-R551 IonicContact OE2-NE 3.13Å; E511-R551 IonicContact OE2-NH2 3.14Å; E511-R551 PolarHBondContact OE2-NH2 3Å |
| 512 | R | 93 | Very high | 93.4 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 175.6 | 175.7 | -175.4 | 173.1 | -168.8 | -1.8 | 111.5 | E508 D509 D510 F514 L515 V516 F552 | E508-R512 VanDerWaalsContact O-CB 3.29Å; E508-R512 WeakPolarHBondContact O-CB 3.34Å; E508-R512 PolarHBondContact O-N 3.11Å; D509-R512 PolarHBondContact O-N 3.23Å; D510-R512 VanDerWaalsContact C-N 3.33Å; D510-R512 PolarHBondContact O-N 2.98Å; R512-F514 VanDerWaalsContact C-N 3.27Å; R512-F514 PolarHBondContact O-N 3.42Å; R512-L515 PolarHBondContact O-N 2.83Å; R512-V516 VanDerWaalsContact O-CG2 3.31Å; R512-V516 WeakPolarHBondContact O-CG2 3.33Å; R512-V516 PolarHBondContact O-N 2.97Å; R512-V516 VanDerWaalsContact O-N 3.09Å; R512-F552 HydrophobicContact CB-CD2 4.48Å; R512-F552 HydrophobicContact CG-CE2 4.15Å |
| 513 | S | 94.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | -178.9 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | K471 D509 D510 E511 I517 | K471-S513 PolarHBondContact NZ-OG 3.2Å; D509-S513 PolarHBondContact O-N 2.65Å; D510-S513 PolarHBondContact O-N 3.25Å; D510-S513 PolarHBondContact O-OG 3.05Å; E511-S513 PolarHBondContact O-N 3.47Å; S513-I517 WeakPolarHBondContact O-CG1 3.49Å |
| 514 | F | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -49.7 | 178.1 | 170.5 | -117.7 | 0 | 0 | 0 | 111.7 | K471 M474 I475 I499 I502 M506 D510 E511 R512 V516 I517 V518 | K471-F514 HydrophobicContact CG-CD2 4Å; M474-F514 HydrophobicContact CB-CE2 4.18Å; M474-F514 HydrophobicContact CB-CZ 4.34Å; M474-F514 HydrophobicContact SD-CE2 4.4Å; M474-F514 HydrophobicContact SD-CZ 3.75Å; I475-F514 HydrophobicContact CD1-CD2 4.5Å; I475-F514 HydrophobicContact CG1-CD2 4.47Å; I475-F514 HydrophobicContact CG1-CE2 4.41Å; I499-F514 HydrophobicContact CG1-CZ 4.15Å; I499-F514 HydrophobicContact CG2-CE1 4.01Å; I499-F514 HydrophobicContact CG2-CZ 4.05Å; I502-F514 HydrophobicContact CD1-CE1 4.24Å; M506-F514 HydrophobicContact CE-CD1 4.35Å; M506-F514 HydrophobicContact CE-CG 4.45Å; M506-F514 HydrophobicContact SD-CB 4.21Å; M506-F514 HydrophobicContact SD-CD1 4.09Å; M506-F514 HydrophobicContact SD-CG 4.24Å; D510-F514 WeakPolarHBondContact O-CB 3.24Å; D510-F514 PolarHBondContact O-N 3.48Å; E511-F514 PolarHBondContact O-N 3.3Å; R512-F514 VanDerWaalsContact C-N 3.27Å; R512-F514 PolarHBondContact O-N 3.42Å; F514-V516 PolarHBondContact O-N 3.43Å; F514-I517 WeakPolarHBondContact O-CB 3.42Å; F514-I517 PolarHBondContact O-N 2.95Å; F514-I517 VanDerWaalsContact O-N 3.15Å; F514-V518 HydrophobicContact CD2-CG2 3.96Å; F514-V518 HydrophobicContact CE1-CG2 4.2Å; F514-V518 HydrophobicContact CE2-CG2 3.55Å; F514-V518 HydrophobicContact CG-CG2 4.46Å; F514-V518 HydrophobicContact CZ-CG2 3.69Å; F514-V518 WeakPolarHBondContact O-CG2 2.95Å; F514-V518 PolarHBondContact O-N 2.76Å |
| 515 | L | 94.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | -178.2 | -72 | 177 | 0 | 0 | 0 | 113.3 | E511 R512 I517 V518 I519 V545 Y549 F552 | E511-L515 HydrophobicContact CG-CD1 3.84Å; E511-L515 HydrophobicContact CG-CG 4.27Å; E511-L515 WeakPolarHBondContact O-CB 3.14Å; E511-L515 VanDerWaalsContact O-CG 3.29Å; E511-L515 WeakPolarHBondContact O-CG 3.34Å; E511-L515 PolarHBondContact O-N 3.29Å; R512-L515 PolarHBondContact O-N 2.83Å; L515-I517 PolarHBondContact O-N 3.38Å; L515-V518 PolarHBondContact O-N 3.36Å; L515-I519 HydrophobicContact CB-CD1 4.29Å; L515-I519 VanDerWaalsContact O-CB 3.31Å; L515-I519 WeakPolarHBondContact O-CB 3.38Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.42Å; L515-I519 PolarHBondContact O-N 2.53Å; L515-V545 HydrophobicContact CD2-CG1 4.31Å; L515-Y549 HydrophobicContact CD1-CD1 3.6Å; L515-Y549 HydrophobicContact CD1-CD2 4.27Å; L515-Y549 HydrophobicContact CD1-CE1 4.13Å; L515-Y549 HydrophobicContact CD1-CG 3.63Å; L515-Y549 HydrophobicContact CD2-CD1 4.09Å; L515-Y549 HydrophobicContact CD2-CD2 3.59Å; L515-Y549 HydrophobicContact CD2-CE1 4.04Å; L515-Y549 HydrophobicContact CD2-CE2 3.58Å; L515-Y549 HydrophobicContact CD2-CG 3.83Å; L515-Y549 HydrophobicContact CG-CD1 4.26Å; L515-Y549 HydrophobicContact CG-CE1 4.34Å; L515-Y549 HydrophobicContact CG-CG 4.31Å; L515-F552 HydrophobicContact CB-CD2 4.35Å; L515-F552 HydrophobicContact CB-CE2 4.34Å; L515-F552 HydrophobicContact CD1-CB 3.57Å; L515-F552 HydrophobicContact CD1-CD1 4.21Å; L515-F552 HydrophobicContact CD1-CD2 3.79Å; L515-F552 HydrophobicContact CD1-CG 3.59Å |
| 516 | V | 94 | Very high | 93.3 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 111 | R512 F514 R520 F552 | R512-V516 VanDerWaalsContact O-CG2 3.31Å; R512-V516 WeakPolarHBondContact O-CG2 3.33Å; R512-V516 PolarHBondContact O-N 2.97Å; R512-V516 VanDerWaalsContact O-N 3.09Å; F514-V516 PolarHBondContact O-N 3.43Å; V516-R520 WeakPolarHBondContact O-CB 3.19Å; V516-R520 PolarHBondContact O-N 3.46Å; V516-F552 HydrophobicContact CG2-CE2 4.44Å |
| 517 | I | 95.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.226 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.5 | -52.4 | 176.2 | -63.4 | 167.9 | 0 | 0 | 0 | 109.9 | I475 S513 F514 L515 I519 R520 D521 | I475-I517 HydrophobicContact CD1-CD1 4.1Å; I475-I517 HydrophobicContact CD1-CG2 4.38Å; I475-I517 HydrophobicContact CG1-CG2 4.42Å; S513-I517 WeakPolarHBondContact O-CG1 3.49Å; F514-I517 WeakPolarHBondContact O-CB 3.42Å; F514-I517 PolarHBondContact O-N 2.95Å; F514-I517 VanDerWaalsContact O-N 3.15Å; L515-I517 PolarHBondContact O-N 3.38Å; I517-I519 PolarHBondContact O-N 3.07Å; I517-R520 PolarHBondContact O-N 3.39Å; I517-D521 WeakPolarHBondContact O-CB 3.05Å; I517-D521 VanDerWaalsContact O-CG 3.23Å; I517-D521 PolarHBondContact O-N 3.3Å |
| 518 | V | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -51.1 | -177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L478 I499 F514 L515 D521 L522 V545 | L478-V518 HydrophobicContact CD2-CB 4.38Å; L478-V518 HydrophobicContact CD2-CG1 4.43Å; L478-V518 HydrophobicContact CD2-CG2 4.29Å; I499-V518 HydrophobicContact CD1-CG1 4.02Å; I499-V518 HydrophobicContact CD1-CG2 4.23Å; I499-V518 HydrophobicContact CG2-CG1 4.27Å; F514-V518 HydrophobicContact CD2-CG2 3.96Å; F514-V518 HydrophobicContact CE1-CG2 4.2Å; F514-V518 HydrophobicContact CE2-CG2 3.55Å; F514-V518 HydrophobicContact CG-CG2 4.46Å; F514-V518 HydrophobicContact CZ-CG2 3.69Å; F514-V518 WeakPolarHBondContact O-CG2 2.95Å; F514-V518 PolarHBondContact O-N 2.76Å; L515-V518 PolarHBondContact O-N 3.36Å; V518-D521 PolarHBondContact O-N 3.44Å; V518-L522 HydrophobicContact CG1-CD1 3.81Å; V518-L522 HydrophobicContact CG1-CG 4.39Å; V518-L522 WeakPolarHBondContact O-CB 3.25Å; V518-L522 VanDerWaalsContact O-CG 3.3Å; V518-L522 WeakPolarHBondContact O-CG 3.5Å; V518-L522 PolarHBondContact O-N 3.21Å; V518-V545 HydrophobicContact CG1-CG1 4.33Å |
| 519 | I | 92.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | -175.9 | -68.8 | 166.4 | 0 | 0 | 0 | 110.7 | L515 I517 D521 L522 L523 V546 F552 F559 | L515-I519 HydrophobicContact CB-CD1 4.29Å; L515-I519 VanDerWaalsContact O-CB 3.31Å; L515-I519 WeakPolarHBondContact O-CB 3.38Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.42Å; L515-I519 PolarHBondContact O-N 2.53Å; I517-I519 PolarHBondContact O-N 3.07Å; I519-D521 VanDerWaalsContact C-N 3.34Å; I519-D521 PolarHBondContact O-N 3.46Å; I519-L522 PolarHBondContact O-N 3.06Å; I519-L523 HydrophobicContact CG2-CD1 3.87Å; I519-L523 HydrophobicContact CG2-CG 4.36Å; I519-L523 WeakPolarHBondContact O-CB 3.42Å; I519-L523 VanDerWaalsContact O-CG 3.28Å; I519-L523 WeakPolarHBondContact O-CG 3.3Å; I519-L523 PolarHBondContact O-N 3.44Å; I519-V546 HydrophobicContact CD1-CG1 4.21Å; I519-F552 HydrophobicContact CD1-CE1 4.32Å; I519-F559 HydrophobicContact CD1-CE1 4.18Å; I519-F559 HydrophobicContact CD1-CZ 3.73Å; I519-F559 HydrophobicContact CG2-CE2 4.17Å; I519-F559 HydrophobicContact CG2-CZ 3.87Å |
| 520 | R | 93.4 | Very high | 93.2 | Very high | 147 Ų | 147 | 57.4 Ų | 57.4 | 56% | 0.555 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 177.6 | -179.3 | -165.4 | 65.6 | -156.6 | -5.7 | 111.1 | V516 I517 L523 G524 | V516-R520 WeakPolarHBondContact O-CB 3.19Å; V516-R520 PolarHBondContact O-N 3.46Å; I517-R520 PolarHBondContact O-N 3.39Å; R520-L523 PolarHBondContact O-N 3.39Å; R520-G524 PolarHBondContact O-N 2.81Å |
| 521 | D | 95.5 | Very high | 93 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.2 | -36.5 | -176.7 | -65.8 | 2.8 | 0 | 0 | 0 | 111 | L478 V482 I517 V518 I519 G524 L525 | L478-D521 HydrophobicContact CD2-CB 3.83Å; L478-D521 HydrophobicContact CG-CB 4.22Å; V482-D521 HydrophobicContact CG2-CB 4.4Å; I517-D521 WeakPolarHBondContact O-CB 3.05Å; I517-D521 VanDerWaalsContact O-CG 3.23Å; I517-D521 PolarHBondContact O-N 3.3Å; V518-D521 PolarHBondContact O-N 3.44Å; I519-D521 VanDerWaalsContact C-N 3.34Å; I519-D521 PolarHBondContact O-N 3.46Å; D521-G524 PolarHBondContact O-N 3.09Å; D521-L525 VanDerWaalsContact O-CB 3.31Å; D521-L525 WeakPolarHBondContact O-CB 3.37Å; D521-L525 PolarHBondContact O-N 3.01Å |
| 522 | L | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 172 | -72.3 | 174.8 | 0 | 0 | 0 | 113 | L478 L492 V518 I519 L525 C526 V538 I542 | L478-L522 HydrophobicContact CD1-CD2 3.89Å; L478-L522 HydrophobicContact CD1-CG 4.32Å; L492-L522 HydrophobicContact CD1-CD2 3.86Å; V518-L522 HydrophobicContact CG1-CD1 3.81Å; V518-L522 HydrophobicContact CG1-CG 4.39Å; V518-L522 WeakPolarHBondContact O-CB 3.25Å; V518-L522 VanDerWaalsContact O-CG 3.3Å; V518-L522 WeakPolarHBondContact O-CG 3.5Å; V518-L522 PolarHBondContact O-N 3.21Å; I519-L522 PolarHBondContact O-N 3.06Å; L522-L525 HydrophobicContact CD2-CD2 4.46Å; L522-L525 WeakPolarHBondContact O-CB 3.39Å; L522-L525 PolarHBondContact O-N 2.89Å; L522-C526 PolarHBondContact O-N 3.43Å; L522-V538 WeakPolarHBondContact O-CG1 3.08Å; L522-I542 HydrophobicContact CB-CD1 4.1Å; L522-I542 HydrophobicContact CB-CG1 3.66Å; L522-I542 HydrophobicContact CD1-CG1 4.11Å; L522-I542 HydrophobicContact CG-CG1 4.45Å |
| 523 | L | 91 | Very high | 92.3 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174 | -75.2 | 170.6 | 0 | 0 | 0 | 110.9 | I519 R520 L525 C526 E527 I542 | I519-L523 HydrophobicContact CG2-CD1 3.87Å; I519-L523 HydrophobicContact CG2-CG 4.36Å; I519-L523 WeakPolarHBondContact O-CB 3.42Å; I519-L523 VanDerWaalsContact O-CG 3.28Å; I519-L523 WeakPolarHBondContact O-CG 3.3Å; I519-L523 PolarHBondContact O-N 3.44Å; R520-L523 PolarHBondContact O-N 3.39Å; L523-L525 VanDerWaalsContact C-N 3.29Å; L523-L525 PolarHBondContact O-N 3.47Å; L523-C526 WeakPolarHBondContact O-CB 3.49Å; L523-C526 PolarHBondContact O-N 2.61Å; L523-C526 VanDerWaalsContact O-N 3.13Å; L523-E527 PolarHBondContact O-N 2.92Å; L523-E527 VanDerWaalsContact O-N 3.07Å; L523-I542 HydrophobicContact CD2-CD1 4.06Å; L523-I542 HydrophobicContact CG-CD1 4.48Å |
| 524 | G | 92.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R520 D521 C526 E527 Q528 | R520-G524 PolarHBondContact O-N 2.81Å; D521-G524 PolarHBondContact O-N 3.09Å; G524-C526 VanDerWaalsContact C-N 3.35Å; G524-C526 PolarHBondContact O-N 2.98Å; G524-E527 PolarHBondContact O-N 3.37Å; G524-Q528 WeakPolarHBondContact O-CB 3.35Å; G524-Q528 PolarHBondContact O-N 3.47Å |
| 525 | L | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.6 | -172.4 | 57.9 | 0 | 0 | 0 | 112.1 | Q481 W487 L492 D521 L522 L523 E527 Q528 K529 V538 | Q481-L525 HydrophobicContact CB-CD2 4.33Å; W487-L525 HydrophobicContact CE3-CD1 4.3Å; W487-L525 HydrophobicContact CE3-CD2 4.4Å; W487-L525 HydrophobicContact CZ3-CD1 4.08Å; W487-L525 HydrophobicContact CZ3-CD2 3.81Å; W487-L525 HydrophobicContact CZ3-CG 4.07Å; L492-L525 HydrophobicContact CD1-CD2 4.02Å; L492-L525 HydrophobicContact CD2-CD2 4.33Å; D521-L525 VanDerWaalsContact O-CB 3.31Å; D521-L525 WeakPolarHBondContact O-CB 3.37Å; D521-L525 PolarHBondContact O-N 3.01Å; L522-L525 HydrophobicContact CD2-CD2 4.46Å; L522-L525 WeakPolarHBondContact O-CB 3.39Å; L522-L525 PolarHBondContact O-N 2.89Å; L523-L525 VanDerWaalsContact C-N 3.29Å; L523-L525 PolarHBondContact O-N 3.47Å; L525-E527 VanDerWaalsContact C-N 3.32Å; L525-E527 PolarHBondContact O-N 2.94Å; L525-Q528 PolarHBondContact O-N 3.48Å; L525-K529 HydrophobicContact CD1-CD 4.32Å; L525-K529 HydrophobicContact CD1-CG 3.88Å; L525-K529 HydrophobicContact CG-CG 4.29Å; L525-K529 WeakPolarHBondContact O-CB 3.29Å; L525-K529 VanDerWaalsContact O-CG 3.29Å; L525-K529 WeakPolarHBondContact O-CG 3.34Å; L525-K529 PolarHBondContact O-N 2.73Å; L525-V538 HydrophobicContact CB-CG1 4.47Å; L525-V538 HydrophobicContact CD2-CG2 4.43Å; L525-V538 HydrophobicContact CG-CG2 4.19Å |
| 526 | C | 90.8 | Very high | 91.4 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 176.7 | -166.7 | 0 | 0 | 0 | 0 | 112 | L522 L523 G524 V538 I542 | L522-C526 PolarHBondContact O-N 3.43Å; L523-C526 WeakPolarHBondContact O-CB 3.49Å; L523-C526 PolarHBondContact O-N 2.61Å; L523-C526 VanDerWaalsContact O-N 3.13Å; G524-C526 VanDerWaalsContact C-N 3.35Å; G524-C526 PolarHBondContact O-N 2.98Å; C526-V538 HydrophobicContact CB-CB 4.24Å; C526-V538 HydrophobicContact CB-CG1 3.62Å; C526-I542 HydrophobicContact CB-CD1 4.37Å |
| 527 | E | 90.9 | Very high | 91.1 | Very high | 167 Ų | 167 | 64.6 Ų | 64.6 | 78% | 0.78 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72 | -38.7 | 174.5 | -68.6 | -179.5 | 176.1 | 0 | 0 | 112.4 | L523 G524 L525 | L523-E527 PolarHBondContact O-N 2.92Å; L523-E527 VanDerWaalsContact O-N 3.07Å; G524-E527 PolarHBondContact O-N 3.37Å; L525-E527 VanDerWaalsContact C-N 3.32Å; L525-E527 PolarHBondContact O-N 2.94Å |
| 528 | Q | 92.4 | Very high | 90.9 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | -179.1 | -176.5 | -175.2 | -14.2 | 0 | 0 | 112.7 | V482 G524 L525 | V482-Q528 PolarHBondContact O-NE2 2.78Å; V482-Q528 PolarHBondContact O-OE1 3.04Å; G524-Q528 WeakPolarHBondContact O-CB 3.35Å; G524-Q528 PolarHBondContact O-N 3.47Å; L525-Q528 PolarHBondContact O-N 3.48Å |
| 529 | K | 90.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 13% | 0.13 | 31% | 0.309 | C | S | . | . | trans | -80.5 | 132.8 | -176.1 | -61.5 | -68.7 | 176 | 175.7 | 0 | 111.3 | W487 L525 N534 K535 | W487-K529 HydrophobicContact CD2-CD 4.17Å; W487-K529 HydrophobicContact CE3-CD 4.4Å; W487-K529 VanDerWaalsContact CE3-CE 3.46Å; W487-K529 HydrophobicContact CH2-CD 4.05Å; W487-K529 HydrophobicContact CH2-CG 3.86Å; W487-K529 HydrophobicContact CZ2-CD 3.79Å; W487-K529 HydrophobicContact CZ2-CG 4.03Å; W487-K529 HydrophobicContact CZ3-CD 4.32Å; W487-K529 HydrophobicContact CZ3-CG 4.24Å; L525-K529 HydrophobicContact CD1-CD 4.32Å; L525-K529 HydrophobicContact CD1-CG 3.88Å; L525-K529 HydrophobicContact CG-CG 4.29Å; L525-K529 WeakPolarHBondContact O-CB 3.29Å; L525-K529 VanDerWaalsContact O-CG 3.29Å; L525-K529 WeakPolarHBondContact O-CG 3.34Å; L525-K529 PolarHBondContact O-N 2.73Å; K529-N534 HydrophobicContact CB-CB 4Å; K529-K535 WeakPolarHBondContact O-CE 3.24Å | ||
| 530 | R | 90.2 | Very high | 90.4 | Very high | 220 Ų | 220 | 63.3 Ų | 63.3 | 83% | 0.83 | 31% | 0.314 | S | S | * | . | trans | -99 | 156.3 | 177.9 | -61.6 | -176.6 | -179.5 | -173.6 | 0 | 110.9 | N534 | R530-N534 PolarHBondContact O-ND2 3Š| ||
| 531 | G | 88.1 | Confident | 90.4 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 94.6 | 144.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K535 | G531-K535 WeakPolarHBondContact O-CG 3.38Å; G531-K535 PolarHBondContact O-N 2.99Å; G531-K535 VanDerWaalsContact O-N 3.15Å |
| 532 | K | 85.9 | Confident | 90.2 | Very high | 127 Ų | 127 | 56.1 Ų | 56.1 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | -178.5 | -70.7 | -167.9 | 170.9 | -165.5 | 0 | 111.1 | N534 K535 A536 T574 | K532-N534 PolarHBondContact O-N 3.07Å; K532-K535 CarbonylContact O-C 3.57Å; K532-K535 PolarHBondContact O-N 3.31Å; K532-A536 WeakPolarHBondContact O-CB 3.36Å; K532-A536 PolarHBondContact O-N 3.24Å; K532-T574 PolarHBondContact NZ-OG1 2.72Å; K532-T574 VanDerWaalsContact NZ-OG1 3.1Å |
| 533 | D | 86.7 | Confident | 90.1 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | -179.1 | -46.3 | -12.5 | 0 | 0 | 0 | 111.8 | W489 K535 A536 I537 H575 | W489-D533 HydrophobicContact CH2-CB 4.29Å; W489-D533 HydrophobicContact CZ2-CB 3.95Å; D533-K535 VanDerWaalsContact C-N 3.32Å; D533-K535 PolarHBondContact O-N 3.07Å; D533-A536 PolarHBondContact O-N 3.4Å; D533-I537 VanDerWaalsContact O-CG1 3.32Å; D533-I537 WeakPolarHBondContact O-CG1 3.5Å; D533-I537 PolarHBondContact O-N 3.38Å; D533-H575 IonicContact OD1-CD2 3.35Å; D533-H575 IonicContact OD1-NE2 3.31Å; D533-H575 PolarHBondContact OD1-NE2 2.96Å |
| 534 | N | 89.3 | Confident | 90.1 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.9 | -70.1 | -39.1 | 0 | 0 | 0 | 111.7 | W487 W489 K529 R530 K532 I537 V538 | W487-N534 HydrophobicContact CZ2-CB 4.43Å; W489-N534 PolarHBondContact NE1-OD1 3.31Å; K529-N534 HydrophobicContact CB-CB 4Å; R530-N534 PolarHBondContact O-ND2 3Å; K532-N534 PolarHBondContact O-N 3.07Å; N534-I537 PolarHBondContact O-N 2.86Å; N534-V538 VanDerWaalsContact O-CG2 3.31Å; N534-V538 WeakPolarHBondContact O-CG2 3.43Å; N534-V538 PolarHBondContact O-N 3.05Å |
| 535 | K | 88.5 | Confident | 90.2 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.7 | -74.2 | -171.1 | 171 | -165.3 | 0 | 112.1 | K529 G531 K532 D533 V538 A539 | K529-K535 WeakPolarHBondContact O-CE 3.24Å; G531-K535 WeakPolarHBondContact O-CG 3.38Å; G531-K535 PolarHBondContact O-N 2.99Å; G531-K535 VanDerWaalsContact O-N 3.15Å; K532-K535 CarbonylContact O-C 3.57Å; K532-K535 PolarHBondContact O-N 3.31Å; D533-K535 VanDerWaalsContact C-N 3.32Å; D533-K535 PolarHBondContact O-N 3.07Å; K535-V538 PolarHBondContact O-N 3.48Å; K535-A539 WeakPolarHBondContact O-CB 3.38Å; K535-A539 PolarHBondContact O-N 2.76Å |
| 536 | A | 87.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K532 D533 A539 S540 V578 | K532-A536 WeakPolarHBondContact O-CB 3.36Å; K532-A536 PolarHBondContact O-N 3.24Å; D533-A536 PolarHBondContact O-N 3.4Å; A536-A539 PolarHBondContact O-N 3.47Å; A536-S540 VanDerWaalsContact O-CB 3.3Å; A536-S540 WeakPolarHBondContact O-CB 3.18Å; A536-S540 PolarHBondContact O-N 2.83Å; A536-V578 HydrophobicContact CB-CG2 3.81Å |
| 537 | I | 88 | Confident | 90.1 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 19% | 0.185 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 175.8 | -64.1 | -63 | 0 | 0 | 0 | 111.7 | W489 L492 D533 N534 S540 N541 | W489-I537 HydrophobicContact CB-CG2 4.19Å; W489-I537 HydrophobicContact CD2-CG1 4.14Å; W489-I537 HydrophobicContact CG-CG1 4.06Å; W489-I537 HydrophobicContact CG-CG2 4.23Å; L492-I537 HydrophobicContact CD2-CG2 4.31Å; D533-I537 VanDerWaalsContact O-CG1 3.32Å; D533-I537 WeakPolarHBondContact O-CG1 3.5Å; D533-I537 PolarHBondContact O-N 3.38Å; N534-I537 PolarHBondContact O-N 2.86Å; I537-S540 PolarHBondContact O-OG 3.38Å; I537-N541 PolarHBondContact O-N 3.34Å; I537-N541 PolarHBondContact O-ND2 3.4Å |
| 538 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -41.9 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | W487 L492 L522 L525 C526 N534 K535 S540 N541 I542 | W487-V538 HydrophobicContact CH2-CG2 3.83Å; W487-V538 HydrophobicContact CZ3-CG2 4.26Å; L492-V538 HydrophobicContact CD2-CG2 3.88Å; L522-V538 WeakPolarHBondContact O-CG1 3.08Å; L525-V538 HydrophobicContact CB-CG1 4.47Å; L525-V538 HydrophobicContact CD2-CG2 4.43Å; L525-V538 HydrophobicContact CG-CG2 4.19Å; C526-V538 HydrophobicContact CB-CB 4.24Å; C526-V538 HydrophobicContact CB-CG1 3.62Å; N534-V538 VanDerWaalsContact O-CG2 3.31Å; N534-V538 WeakPolarHBondContact O-CG2 3.43Å; N534-V538 PolarHBondContact O-N 3.05Å; K535-V538 PolarHBondContact O-N 3.48Å; V538-S540 VanDerWaalsContact C-N 3.33Å; V538-S540 PolarHBondContact O-N 3.29Å; V538-N541 PolarHBondContact O-N 2.94Å; V538-I542 HydrophobicContact CG1-CD1 4Å; V538-I542 HydrophobicContact CG1-CG1 4.46Å; V538-I542 WeakPolarHBondContact O-CG1 3.38Å; V538-I542 PolarHBondContact O-N 3.37Å |
| 539 | A | 88.6 | Confident | 90.3 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K535 A536 N541 I542 M543 F570 | K535-A539 WeakPolarHBondContact O-CB 3.38Å; K535-A539 PolarHBondContact O-N 2.76Å; A536-A539 PolarHBondContact O-N 3.47Å; A539-N541 PolarHBondContact O-N 2.86Å; A539-I542 PolarHBondContact O-N 2.65Å; A539-M543 HydrophobicContact CB-CE 4.46Å; A539-M543 WeakPolarHBondContact O-CB 3.23Å; A539-M543 WeakPolarHBondContact O-CG 3.35Å; A539-M543 PolarHBondContact O-N 2.83Å; A539-F570 HydrophobicContact CB-CE1 4.48Å; A539-F570 HydrophobicContact CB-CE2 4.46Å; A539-F570 HydrophobicContact CB-CZ 4.06Å |
| 540 | S | 90.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 175.8 | 81.3 | 0 | 0 | 0 | 0 | 110.8 | A536 I537 V538 I542 M543 Y544 M581 | A536-S540 VanDerWaalsContact O-CB 3.3Å; A536-S540 WeakPolarHBondContact O-CB 3.18Å; A536-S540 PolarHBondContact O-N 2.83Å; I537-S540 PolarHBondContact O-OG 3.38Å; V538-S540 VanDerWaalsContact C-N 3.33Å; V538-S540 PolarHBondContact O-N 3.29Å; S540-I542 PolarHBondContact O-N 3.17Å; S540-M543 PolarHBondContact O-N 3.4Å; S540-Y544 PolarHBondContact O-N 3.14Å; S540-M581 WeakPolarHBondContact CA-SD 3.23Å; S540-M581 WeakPolarHBondContact CB-SD 3.43Å; S540-M581 WeakPolarHBondContact O-CE 3.03Å |
| 541 | N | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.9 | -78.3 | -58.8 | 0 | 0 | 0 | 113.2 | N493 C496 I537 V538 A539 V545 | N493-N541 WeakPolarHBondContact CA-OD1 3.3Å; N493-N541 PolarHBondContact OD1-ND2 2.99Å; N493-N541 PolarHBondContact OD1-OD1 2.95Å; C496-N541 HydrophobicContact CB-CB 3.81Å; C496-N541 WeakPolarHBondContact CB-OD1 3.4Å; I537-N541 PolarHBondContact O-N 3.34Å; I537-N541 PolarHBondContact O-ND2 3.4Å; V538-N541 PolarHBondContact O-N 2.94Å; A539-N541 PolarHBondContact O-N 2.86Å; N541-V545 WeakPolarHBondContact O-CG2 3.5Å; N541-V545 PolarHBondContact O-N 3.17Å |
| 542 | I | 92.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 31 Ų | 31 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 173.2 | -68.6 | 166.4 | 0 | 0 | 0 | 110.1 | L522 L523 C526 V538 A539 S540 Y544 V545 V546 | L522-I542 HydrophobicContact CB-CD1 4.1Å; L522-I542 HydrophobicContact CB-CG1 3.66Å; L522-I542 HydrophobicContact CD1-CG1 4.11Å; L522-I542 HydrophobicContact CG-CG1 4.45Å; L523-I542 HydrophobicContact CD2-CD1 4.06Å; L523-I542 HydrophobicContact CG-CD1 4.48Å; C526-I542 HydrophobicContact CB-CD1 4.37Å; V538-I542 HydrophobicContact CG1-CD1 4Å; V538-I542 HydrophobicContact CG1-CG1 4.46Å; V538-I542 WeakPolarHBondContact O-CG1 3.38Å; V538-I542 PolarHBondContact O-N 3.37Å; A539-I542 PolarHBondContact O-N 2.65Å; S540-I542 PolarHBondContact O-N 3.17Å; I542-Y544 VanDerWaalsContact C-N 3.33Å; I542-Y544 PolarHBondContact O-N 2.95Å; I542-V545 PolarHBondContact O-N 3.09Å; I542-V546 WeakPolarHBondContact O-CG2 3.24Å; I542-V546 PolarHBondContact O-N 2.98Å |
| 543 | M | 91.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | -179.5 | -77.2 | -169.5 | -75.4 | 0 | 0 | 111.9 | A539 S540 V546 G547 L567 F570 V578 M581 A582 T585 | A539-M543 HydrophobicContact CB-CE 4.46Å; A539-M543 WeakPolarHBondContact O-CB 3.23Å; A539-M543 WeakPolarHBondContact O-CG 3.35Å; A539-M543 PolarHBondContact O-N 2.83Å; S540-M543 PolarHBondContact O-N 3.4Å; M543-V546 WeakPolarHBondContact O-CG2 3.31Å; M543-G547 PolarHBondContact O-N 3.17Å; M543-L567 HydrophobicContact CG-CD2 3.77Å; M543-L567 HydrophobicContact SD-CD2 3.62Å; M543-F570 HydrophobicContact CE-CD2 4.33Å; M543-F570 HydrophobicContact CG-CD2 4.33Å; M543-F570 HydrophobicContact CG-CE2 4.34Å; M543-F570 HydrophobicContact SD-CD2 3.75Å; M543-F570 HydrophobicContact SD-CE2 4.29Å; M543-V578 HydrophobicContact CE-CG1 4.35Å; M543-M581 HydrophobicContact CB-CE 4.08Å; M543-M581 HydrophobicContact CB-CG 4.17Å; M543-M581 HydrophobicContact CB-SD 4.41Å; M543-M581 HydrophobicContact CE-CB 3.84Å; M543-M581 HydrophobicContact CE-CG 3.71Å; M543-M581 HydrophobicContact CE-SD 4.01Å; M543-M581 HydrophobicContact SD-CB 4.43Å; M543-M581 HydrophobicContact SD-CG 4.13Å; M543-A582 HydrophobicContact SD-CB 4.16Å; M543-T585 HydrophobicContact CB-CG2 4.32Å; M543-T585 WeakPolarHBondContact O-CG2 3.37Å |
| 544 | Y | 92.3 | Very high | 91.5 | Very high | 14 Ų | 14 | 26 Ų | 26 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -52.5 | 175.1 | 174.9 | -100.2 | 0 | 0 | 0 | 111.4 | P425 Y452 C496 S540 I542 V546 G547 Q548 | P425-Y544 HydrophobicContact CB-CE2 3.91Å; P425-Y544 HydrophobicContact CG-CD2 4.19Å; P425-Y544 HydrophobicContact CG-CE2 3.4Å; Y452-Y544 PolarHBondContact OH-OH 3.32Å; C496-Y544 WeakPolarHBondContact O-CE1 3.43Å; S540-Y544 PolarHBondContact O-N 3.14Å; I542-Y544 VanDerWaalsContact C-N 3.33Å; I542-Y544 PolarHBondContact O-N 2.95Å; Y544-V546 PolarHBondContact O-N 2.87Å; Y544-G547 PolarHBondContact O-N 3.35Å; Y544-Q548 HydrophobicContact CD1-CG 4.4Å; Y544-Q548 HydrophobicContact CD2-CG 4.33Å; Y544-Q548 HydrophobicContact CE1-CG 3.92Å; Y544-Q548 HydrophobicContact CE2-CG 3.85Å; Y544-Q548 WeakPolarHBondContact O-CG 3.46Å; Y544-Q548 PolarHBondContact O-N 2.88Å; Y544-Q548 VanDerWaalsContact O-N 3.07Å |
| 545 | V | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.2 | -52.4 | -179.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | C496 I499 L515 V518 N541 I542 G547 Q548 Y549 | C496-V545 HydrophobicContact CB-CG2 4.09Å; I499-V545 HydrophobicContact CB-CG2 4.47Å; I499-V545 HydrophobicContact CG2-CG1 4.09Å; I499-V545 HydrophobicContact CG2-CG2 4.07Å; L515-V545 HydrophobicContact CD2-CG1 4.31Å; V518-V545 HydrophobicContact CG1-CG1 4.33Å; N541-V545 WeakPolarHBondContact O-CG2 3.5Å; N541-V545 PolarHBondContact O-N 3.17Å; I542-V545 PolarHBondContact O-N 3.09Å; V545-G547 VanDerWaalsContact C-N 3.26Å; V545-G547 PolarHBondContact O-N 3.35Å; V545-Q548 PolarHBondContact O-N 3.27Å; V545-Y549 HydrophobicContact CG1-CD2 4.17Å; V545-Y549 HydrophobicContact CG1-CE2 4.22Å; V545-Y549 VanDerWaalsContact O-CD2 3.29Å; V545-Y549 WeakPolarHBondContact O-CD2 3.32Å; V545-Y549 PolarHBondContact O-N 3.5Å |
| 546 | V | 92.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 179.9 | -64 | 0 | 0 | 0 | 0 | 112.4 | I519 I542 M543 Y544 Q548 Y549 L553 F559 V563 T585 | I519-V546 HydrophobicContact CD1-CG1 4.21Å; I542-V546 WeakPolarHBondContact O-CG2 3.24Å; I542-V546 PolarHBondContact O-N 2.98Å; M543-V546 WeakPolarHBondContact O-CG2 3.31Å; Y544-V546 PolarHBondContact O-N 2.87Å; V546-Q548 VanDerWaalsContact C-N 3.27Å; V546-Q548 PolarHBondContact O-N 3.22Å; V546-Y549 PolarHBondContact O-N 3.14Å; V546-L553 WeakPolarHBondContact O-CD1 3.43Å; V546-F559 HydrophobicContact CG1-CE1 4.28Å; V546-V563 HydrophobicContact CB-CG1 4.45Å; V546-V563 HydrophobicContact CG1-CG2 4.41Å; V546-V563 HydrophobicContact CG2-CG1 3.94Å; V546-T585 HydrophobicContact CG2-CG2 4.42Å |
| 547 | G | 90.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -27.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M543 Y544 V545 | M543-G547 PolarHBondContact O-N 3.17Å; Y544-G547 PolarHBondContact O-N 3.35Å; V545-G547 VanDerWaalsContact C-N 3.26Å; V545-G547 PolarHBondContact O-N 3.35Å |
| 548 | Q | 93.1 | Very high | 92.5 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -81.8 | -16.5 | 177.9 | -65 | -51.7 | -40.2 | 0 | 0 | 114 | S503 Y544 V545 V546 P550 | S503-Q548 VanDerWaalsContact CB-O 3.24Å; S503-Q548 WeakPolarHBondContact CB-O 3.49Å; S503-Q548 PolarHBondContact OG-O 2.87Å; Y544-Q548 HydrophobicContact CD1-CG 4.4Å; Y544-Q548 HydrophobicContact CD2-CG 4.33Å; Y544-Q548 HydrophobicContact CE1-CG 3.92Å; Y544-Q548 HydrophobicContact CE2-CG 3.85Å; Y544-Q548 WeakPolarHBondContact O-CG 3.46Å; Y544-Q548 PolarHBondContact O-N 2.88Å; Y544-Q548 VanDerWaalsContact O-N 3.07Å; V545-Q548 PolarHBondContact O-N 3.27Å; V546-Q548 VanDerWaalsContact C-N 3.27Å; V546-Q548 PolarHBondContact O-N 3.22Å; Q548-P550 WeakPolarHBondContact O-CD 3.42Å |
| 549 | Y | 94.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -112.4 | 61.1 | -174 | -74 | -84.4 | 0 | 0 | 0 | 113.9 | I499 E511 L515 V545 V546 R551 F552 L553 | I499-Y549 HydrophobicContact CG2-CE2 4.23Å; I499-Y549 PolarHBondContact O-OH 3.14Å; E511-Y549 HydrophobicContact CG-CD1 3.88Å; E511-Y549 HydrophobicContact CG-CE1 3.79Å; E511-Y549 WeakPolarHBondContact OE2-CE1 3.4Å; L515-Y549 HydrophobicContact CD1-CD1 3.6Å; L515-Y549 HydrophobicContact CD1-CD2 4.27Å; L515-Y549 HydrophobicContact CD1-CE1 4.13Å; L515-Y549 HydrophobicContact CD1-CG 3.63Å; L515-Y549 HydrophobicContact CD2-CD1 4.09Å; L515-Y549 HydrophobicContact CD2-CD2 3.59Å; L515-Y549 HydrophobicContact CD2-CE1 4.04Å; L515-Y549 HydrophobicContact CD2-CE2 3.58Å; L515-Y549 HydrophobicContact CD2-CG 3.83Å; L515-Y549 HydrophobicContact CG-CD1 4.26Å; L515-Y549 HydrophobicContact CG-CE1 4.34Å; L515-Y549 HydrophobicContact CG-CG 4.31Å; V545-Y549 HydrophobicContact CG1-CD2 4.17Å; V545-Y549 HydrophobicContact CG1-CE2 4.22Å; V545-Y549 VanDerWaalsContact O-CD2 3.29Å; V545-Y549 WeakPolarHBondContact O-CD2 3.32Å; V545-Y549 PolarHBondContact O-N 3.5Å; V546-Y549 PolarHBondContact O-N 3.14Å; Y549-R551 VanDerWaalsContact C-N 3.25Å; Y549-R551 PolarHBondContact O-N 3.29Å; Y549-F552 PolarHBondContact O-N 2.9Å; Y549-L553 PolarHBondContact O-N 3.15Å | ||
| 550 | P | 91.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -23.8 | -178.7 | 29.3 | -35.9 | 0 | 0 | 0 | 113.4 | Q548 L553 R554 K592 | Q548-P550 WeakPolarHBondContact O-CD 3.42Å; P550-L553 PolarHBondContact O-N 3.44Å; P550-R554 WeakPolarHBondContact O-CB 3.49Å; P550-R554 VanDerWaalsContact O-CG 3.28Å; P550-R554 WeakPolarHBondContact O-CG 3.24Å; P550-R554 PolarHBondContact O-N 3.46Å; P550-K592 HydrophobicContact CB-CB 3.38Å; P550-K592 HydrophobicContact CB-CG 4Å; P550-K592 HydrophobicContact CG-CB 3.98Å; P550-K592 HydrophobicContact CG-CG 4.08Å |
| 551 | R | 92.3 | Very high | 93.2 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 25% | 0.253 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 174.6 | 178.6 | 171.7 | 61.3 | 173 | -4.2 | 110.7 | M506 E511 Y549 L553 R554 A555 | M506-R551 PolarHBondContact O-NH2 3.01Å; E511-R551 IonicContact OE1-CZ 3.15Å; E511-R551 IonicContact OE1-NE 3.48Å; E511-R551 PolarHBondContact OE1-NE 2.7Å; E511-R551 IonicContact OE1-NH2 3.94Å; E511-R551 PolarHBondContact OE1-NH2 3.44Å; E511-R551 VanDerWaalsContact OE1-NH2 3.13Å; E511-R551 IonicContact OE2-CZ 2.87Å; E511-R551 IonicContact OE2-NE 3.13Å; E511-R551 IonicContact OE2-NH2 3.14Å; E511-R551 PolarHBondContact OE2-NH2 3Å; Y549-R551 VanDerWaalsContact C-N 3.25Å; Y549-R551 PolarHBondContact O-N 3.29Å; R551-L553 PolarHBondContact O-N 2.8Å; R551-R554 PolarHBondContact O-N 2.99Å; R551-A555 PolarHBondContact O-N 2.68Å |
| 552 | F | 93.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 174.3 | 177.9 | -95 | 0 | 0 | 0 | 112.1 | R512 L515 V516 I519 Y549 R554 A555 H556 F559 | R512-F552 HydrophobicContact CB-CD2 4.48Å; R512-F552 HydrophobicContact CG-CE2 4.15Å; L515-F552 HydrophobicContact CB-CD2 4.35Å; L515-F552 HydrophobicContact CB-CE2 4.34Å; L515-F552 HydrophobicContact CD1-CB 3.57Å; L515-F552 HydrophobicContact CD1-CD1 4.21Å; L515-F552 HydrophobicContact CD1-CD2 3.79Å; L515-F552 HydrophobicContact CD1-CG 3.59Å; V516-F552 HydrophobicContact CG2-CE2 4.44Å; I519-F552 HydrophobicContact CD1-CE1 4.32Å; Y549-F552 PolarHBondContact O-N 2.9Å; F552-R554 VanDerWaalsContact C-N 3.35Å; F552-R554 PolarHBondContact O-N 3.27Å; F552-A555 PolarHBondContact O-N 2.85Å; F552-H556 AromaticContact CD2-CD2 3.44Å; F552-H556 VanDerWaalsContact CD2-CD2 3.44Å; F552-H556 WeakPolarHBondContact CD2-CD2 3.43Å; F552-H556 AromaticContact CD2-NE2 3.79Å; F552-H556 AromaticContact CE2-CD2 3.33Å; F552-H556 WeakPolarHBondContact CE2-CD2 3.39Å; F552-H556 AromaticContact CE2-NE2 3.64Å; F552-H556 AromaticContact CG-CD2 3.92Å; F552-H556 AromaticContact CZ-CD2 3.72Å; F552-H556 PolarHBondContact O-CD2 2.98Å; F552-H556 PolarHBondContact O-N 3.14Å; F552-F559 HydrophobicContact CD1-CD1 4.33Å; F552-F559 HydrophobicContact CD1-CE1 4.48Å; F552-F559 AromaticContact CE1-CD1 3.64Å; F552-F559 HydrophobicContact CE1-CD1 3.64Å; F552-F559 HydrophobicContact CE1-CD2 4.42Å; F552-F559 AromaticContact CE1-CE1 3.79Å; F552-F559 HydrophobicContact CE1-CE1 3.79Å; F552-F559 AromaticContact CE1-CG 3.99Å; F552-F559 HydrophobicContact CE1-CG 3.99Å; F552-F559 HydrophobicContact CE1-CZ 4.29Å |
| 553 | L | 94 | Very high | 93.3 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 179.1 | -67.2 | -178.8 | 0 | 0 | 0 | 112.8 | V546 Y549 P550 R551 A555 H556 F559 L560 V563 I589 | V546-L553 WeakPolarHBondContact O-CD1 3.43Å; Y549-L553 PolarHBondContact O-N 3.15Å; P550-L553 PolarHBondContact O-N 3.44Å; R551-L553 PolarHBondContact O-N 2.8Å; L553-A555 VanDerWaalsContact C-N 3.3Å; L553-A555 PolarHBondContact O-N 3.02Å; L553-H556 PolarHBondContact O-N 3.28Å; L553-F559 HydrophobicContact CD2-CD1 3.75Å; L553-F559 HydrophobicContact CD2-CE1 3.99Å; L553-L560 HydrophobicContact CB-CD1 4.23Å; L553-L560 HydrophobicContact CD1-CD1 4.4Å; L553-V563 HydrophobicContact CD2-CG2 4.44Å; L553-I589 HydrophobicContact CD1-CD1 3.99Å; L553-I589 HydrophobicContact CD1-CG1 3.91Å; L553-I589 HydrophobicContact CD1-CG2 4.46Å |
| 554 | R | 94.4 | Very high | 93.5 | Very high | 107 Ų | 107 | 39.2 Ų | 39.2 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.3 | -31.7 | 177.6 | -74.4 | -170.6 | -64.7 | -106.4 | 0.5 | 113.2 | P550 R551 F552 K592 C593 | P550-R554 WeakPolarHBondContact O-CB 3.49Å; P550-R554 VanDerWaalsContact O-CG 3.28Å; P550-R554 WeakPolarHBondContact O-CG 3.24Å; P550-R554 PolarHBondContact O-N 3.46Å; R551-R554 PolarHBondContact O-N 2.99Å; F552-R554 VanDerWaalsContact C-N 3.35Å; F552-R554 PolarHBondContact O-N 3.27Å; R554-K592 PolarHBondContact NH1-O 2.98Å; R554-C593 HydrophobicContact CG-CB 4.48Å |
| 555 | A | 92.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -80.5 | -18.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R551 F552 L553 | R551-A555 PolarHBondContact O-N 2.68Å; F552-A555 PolarHBondContact O-N 2.85Å; L553-A555 VanDerWaalsContact C-N 3.3Å; L553-A555 PolarHBondContact O-N 3.02Å |
| 556 | H | 93.2 | Very high | 93.6 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -127.5 | 76 | -170.9 | -61.6 | -55.7 | 0 | 0 | 0 | 112.6 | F552 L553 R558 F559 L560 | F552-H556 AromaticContact CD2-CD2 3.44Å; F552-H556 VanDerWaalsContact CD2-CD2 3.44Å; F552-H556 WeakPolarHBondContact CD2-CD2 3.43Å; F552-H556 AromaticContact CD2-NE2 3.79Å; F552-H556 AromaticContact CE2-CD2 3.33Å; F552-H556 WeakPolarHBondContact CE2-CD2 3.39Å; F552-H556 AromaticContact CE2-NE2 3.64Å; F552-H556 AromaticContact CG-CD2 3.92Å; F552-H556 AromaticContact CZ-CD2 3.72Å; F552-H556 PolarHBondContact O-CD2 2.98Å; F552-H556 PolarHBondContact O-N 3.14Å; L553-H556 PolarHBondContact O-N 3.28Å; H556-R558 PolarHBondContact O-N 2.95Å; H556-F559 HydrophobicContact CB-CB 3.95Å; H556-F559 WeakPolarHBondContact O-CA 3.26Å; H556-F559 WeakPolarHBondContact O-CB 3.37Å; H556-F559 PolarHBondContact O-N 2.92Å; H556-L560 PolarHBondContact O-N 3.45Å | ||
| 557 | W | 94.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 10% | 0.095 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -48 | -52.2 | -176.2 | 172 | -115.9 | 0 | 0 | 0 | 114.7 | F559 L560 K561 Q596 L597 Q601 E604 F608 | W557-F559 PolarHBondContact O-N 3.44Å; W557-L560 HydrophobicContact CE3-CB 4.47Å; W557-L560 HydrophobicContact CE3-CD2 4.01Å; W557-L560 HydrophobicContact CE3-CG 4.4Å; W557-L560 HydrophobicContact CZ3-CD2 3.97Å; W557-L560 HydrophobicContact CZ3-CG 4.33Å; W557-L560 WeakPolarHBondContact O-CB 3.32Å; W557-L560 PolarHBondContact O-N 3.35Å; W557-K561 HydrophobicContact CZ2-CB 4.13Å; W557-K561 HydrophobicContact CZ2-CD 4.02Å; W557-K561 HydrophobicContact CZ2-CG 4.34Å; W557-K561 PolarHBondContact O-N 3.32Å; W557-Q596 HydrophobicContact CE3-CB 4.43Å; W557-Q596 HydrophobicContact CZ3-CB 4.29Å; W557-L597 HydrophobicContact CH2-CD2 4.22Å; W557-L597 HydrophobicContact CZ3-CD2 4.01Å; W557-Q601 HydrophobicContact CD2-CB 3.58Å; W557-Q601 HydrophobicContact CD2-CG 3.4Å; W557-Q601 VanDerWaalsContact CD2-CG 3.4Å; W557-Q601 VanDerWaalsContact CE2-CB 3.47Å; W557-Q601 HydrophobicContact CE3-CB 4.27Å; W557-Q601 HydrophobicContact CE3-CG 3.55Å; W557-Q601 HydrophobicContact CG-CB 3.65Å; W557-Q601 HydrophobicContact CG-CG 3.9Å; W557-Q601 HydrophobicContact CH2-CG 4Å; W557-Q601 HydrophobicContact CZ2-CB 4.07Å; W557-Q601 HydrophobicContact CZ2-CG 3.88Å; W557-Q601 HydrophobicContact CZ3-CG 3.85Å; W557-E604 HydrophobicContact CZ2-CG 4.14Å; W557-E604 VanDerWaalsContact NE1-CG 3.3Å; W557-E604 PolarHBondContact NE1-OE1 2.98Å; W557-F608 HydrophobicContact CH2-CB 3.55Å; W557-F608 HydrophobicContact CH2-CD1 4.06Å; W557-F608 AromaticContact CH2-CG 3.93Å; W557-F608 HydrophobicContact CH2-CG 3.93Å; W557-F608 HydrophobicContact CZ2-CB 3.95Å; W557-F608 HydrophobicContact CZ2-CG 4.3Å |
| 558 | R | 94 | Very high | 94 | Very high | 194 Ų | 194 | 45.9 Ų | 45.9 | 73% | 0.732 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58 | -37.7 | -179.1 | -69.5 | -176.5 | 178.3 | 176.8 | -0.7 | 112.1 | H556 T562 | H556-R558 PolarHBondContact O-N 2.95Å; R558-T562 WeakPolarHBondContact O-CB 3.32Å; R558-T562 PolarHBondContact O-N 3.32Å; R558-T562 PolarHBondContact O-OG1 3.07Å |
| 559 | F | 93.1 | Very high | 94 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 25% | 0.254 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.6 | -45.6 | 176.5 | -167.6 | -85 | 0 | 0 | 0 | 110.8 | I519 V546 F552 L553 H556 W557 K561 T562 V563 | I519-F559 HydrophobicContact CD1-CE1 4.18Å; I519-F559 HydrophobicContact CD1-CZ 3.73Å; I519-F559 HydrophobicContact CG2-CE2 4.17Å; I519-F559 HydrophobicContact CG2-CZ 3.87Å; V546-F559 HydrophobicContact CG1-CE1 4.28Å; F552-F559 HydrophobicContact CD1-CD1 4.33Å; F552-F559 HydrophobicContact CD1-CE1 4.48Å; F552-F559 AromaticContact CE1-CD1 3.64Å; F552-F559 HydrophobicContact CE1-CD1 3.64Å; F552-F559 HydrophobicContact CE1-CD2 4.42Å; F552-F559 AromaticContact CE1-CE1 3.79Å; F552-F559 HydrophobicContact CE1-CE1 3.79Å; F552-F559 AromaticContact CE1-CG 3.99Å; F552-F559 HydrophobicContact CE1-CG 3.99Å; F552-F559 HydrophobicContact CE1-CZ 4.29Å; L553-F559 HydrophobicContact CD2-CD1 3.75Å; L553-F559 HydrophobicContact CD2-CE1 3.99Å; H556-F559 HydrophobicContact CB-CB 3.95Å; H556-F559 WeakPolarHBondContact O-CA 3.26Å; H556-F559 WeakPolarHBondContact O-CB 3.37Å; H556-F559 PolarHBondContact O-N 2.92Å; W557-F559 PolarHBondContact O-N 3.44Å; F559-K561 PolarHBondContact O-N 3.14Å; F559-T562 WeakPolarHBondContact O-CB 3.4Å; F559-T562 PolarHBondContact O-N 2.92Å; F559-V563 HydrophobicContact CD1-CG2 3.73Å; F559-V563 HydrophobicContact CE1-CG2 3.33Å; F559-V563 HydrophobicContact CZ-CG2 3.97Å; F559-V563 WeakPolarHBondContact O-CG2 3.21Å; F559-V563 PolarHBondContact O-N 3.16Å |
| 560 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 174.7 | 173.6 | 58.2 | 0 | 0 | 0 | 112.2 | L553 H556 W557 T562 V563 I564 I589 C593 Q596 L597 | L553-L560 HydrophobicContact CB-CD1 4.23Å; L553-L560 HydrophobicContact CD1-CD1 4.4Å; H556-L560 PolarHBondContact O-N 3.45Å; W557-L560 HydrophobicContact CE3-CB 4.47Å; W557-L560 HydrophobicContact CE3-CD2 4.01Å; W557-L560 HydrophobicContact CE3-CG 4.4Å; W557-L560 HydrophobicContact CZ3-CD2 3.97Å; W557-L560 HydrophobicContact CZ3-CG 4.33Å; W557-L560 WeakPolarHBondContact O-CB 3.32Å; W557-L560 PolarHBondContact O-N 3.35Å; L560-T562 VanDerWaalsContact C-N 3.3Å; L560-T562 PolarHBondContact O-N 2.83Å; L560-V563 PolarHBondContact O-N 3.26Å; L560-I564 HydrophobicContact CD1-CD1 3.66Å; L560-I564 HydrophobicContact CD1-CG1 4.05Å; L560-I564 HydrophobicContact CG-CD1 4.08Å; L560-I564 WeakPolarHBondContact O-CG1 3.36Å; L560-I564 PolarHBondContact O-N 3.06Å; L560-I589 HydrophobicContact CD1-CG2 3.58Å; L560-C593 HydrophobicContact CD1-CB 4.45Å; L560-C593 HydrophobicContact CD2-CB 4.06Å; L560-Q596 HydrophobicContact CD2-CB 3.96Å; L560-Q596 HydrophobicContact CD2-CG 4.4Å; L560-L597 HydrophobicContact CD2-CD2 4.43Å |
| 561 | K | 95.4 | Very high | 94 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.5 | -170.6 | 172.8 | -172.3 | 171 | 0 | 111.4 | W557 F559 T565 E604 F608 E611 | W557-K561 HydrophobicContact CZ2-CB 4.13Å; W557-K561 HydrophobicContact CZ2-CD 4.02Å; W557-K561 HydrophobicContact CZ2-CG 4.34Å; W557-K561 PolarHBondContact O-N 3.32Å; F559-K561 PolarHBondContact O-N 3.14Å; K561-T565 WeakPolarHBondContact O-CB 3.47Å; K561-T565 PolarHBondContact O-N 2.91Å; K561-T565 PolarHBondContact O-OG1 3.31Å; K561-E604 WeakPolarHBondContact CD-OE1 3.47Å; K561-E604 IonicContact NZ-OE1 3.07Å; K561-E604 PolarHBondContact NZ-OE1 3.02Å; K561-E604 IonicContact NZ-OE2 3.5Å; K561-E604 PolarHBondContact NZ-OE2 2.91Å; K561-F608 HydrophobicContact CD-CD2 4.35Å; K561-F608 HydrophobicContact CD-CE2 4.31Å; K561-F608 HydrophobicContact CG-CD2 4.37Å; K561-F608 HydrophobicContact CG-CE2 4.02Å; K561-F608 HydrophobicContact CG-CZ 4.11Å; K561-E611 WeakPolarHBondContact CE-OE2 3.24Å; K561-E611 IonicContact NZ-OE1 3.6Å; K561-E611 PolarHBondContact NZ-OE1 3.48Å; K561-E611 IonicContact NZ-OE2 2.75Å; K561-E611 PolarHBondContact NZ-OE2 2.59Å; K561-E611 VanDerWaalsContact NZ-OE2 3.15Å |
| 562 | T | 93.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 56% | 0.564 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.2 | -45.1 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 112 | R558 F559 L560 T565 K566 | R558-T562 WeakPolarHBondContact O-CB 3.32Å; R558-T562 PolarHBondContact O-N 3.32Å; R558-T562 PolarHBondContact O-OG1 3.07Å; F559-T562 WeakPolarHBondContact O-CB 3.4Å; F559-T562 PolarHBondContact O-N 2.92Å; L560-T562 VanDerWaalsContact C-N 3.3Å; L560-T562 PolarHBondContact O-N 2.83Å; T562-T565 PolarHBondContact O-N 3.33Å; T562-K566 WeakPolarHBondContact O-CB 3.42Å; T562-K566 PolarHBondContact O-N 3.41Å |
| 563 | V | 93.1 | Very high | 94 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 177.3 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | V546 L553 F559 L560 T565 K566 L567 I589 | V546-V563 HydrophobicContact CB-CG1 4.45Å; V546-V563 HydrophobicContact CG1-CG2 4.41Å; V546-V563 HydrophobicContact CG2-CG1 3.94Å; L553-V563 HydrophobicContact CD2-CG2 4.44Å; F559-V563 HydrophobicContact CD1-CG2 3.73Å; F559-V563 HydrophobicContact CE1-CG2 3.33Å; F559-V563 HydrophobicContact CZ-CG2 3.97Å; F559-V563 WeakPolarHBondContact O-CG2 3.21Å; F559-V563 PolarHBondContact O-N 3.16Å; L560-V563 PolarHBondContact O-N 3.26Å; V563-T565 VanDerWaalsContact C-N 3.34Å; V563-T565 PolarHBondContact O-N 3.19Å; V563-K566 WeakPolarHBondContact O-CB 3.22Å; V563-K566 PolarHBondContact O-N 2.7Å; V563-K566 VanDerWaalsContact O-N 3.11Å; V563-L567 HydrophobicContact CG1-CD1 4.32Å; V563-L567 HydrophobicContact CG1-CG 4.43Å; V563-L567 WeakPolarHBondContact O-CG 3.39Å; V563-L567 PolarHBondContact O-N 3.19Å; V563-I589 HydrophobicContact CG1-CD1 3.74Å |
| 564 | I | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | -179.6 | -66.3 | 170.2 | 0 | 0 | 0 | 111 | L560 K566 L567 F568 F586 I589 L597 F608 | L560-I564 HydrophobicContact CD1-CD1 3.66Å; L560-I564 HydrophobicContact CD1-CG1 4.05Å; L560-I564 HydrophobicContact CG-CD1 4.08Å; L560-I564 WeakPolarHBondContact O-CG1 3.36Å; L560-I564 PolarHBondContact O-N 3.06Å; I564-K566 VanDerWaalsContact C-N 3.25Å; I564-K566 PolarHBondContact O-N 2.93Å; I564-L567 WeakPolarHBondContact O-CB 3.46Å; I564-L567 PolarHBondContact O-N 2.71Å; I564-L567 VanDerWaalsContact O-N 3.1Å; I564-F568 HydrophobicContact CG2-CD1 4.42Å; I564-F568 HydrophobicContact CG2-CD2 4.26Å; I564-F568 HydrophobicContact CG2-CE1 3.75Å; I564-F568 HydrophobicContact CG2-CE2 3.58Å; I564-F568 HydrophobicContact CG2-CZ 3.29Å; I564-F568 WeakPolarHBondContact O-CG 3.35Å; I564-F568 PolarHBondContact O-N 2.75Å; I564-F586 HydrophobicContact CG2-CD2 4.09Å; I564-F586 HydrophobicContact CG2-CE2 3.75Å; I564-I589 HydrophobicContact CD1-CG2 4.15Å; I564-I589 HydrophobicContact CG1-CG2 4.21Å; I564-L597 HydrophobicContact CD1-CD1 4.22Å; I564-L597 HydrophobicContact CD1-CD2 3.48Å; I564-L597 VanDerWaalsContact CD1-CD2 3.48Å; I564-F608 HydrophobicContact CB-CE1 4.05Å; I564-F608 HydrophobicContact CD1-CE1 4.09Å; I564-F608 HydrophobicContact CG2-CE1 3.71Å; I564-F608 HydrophobicContact CG2-CZ 4.19Å |
| 565 | T | 95.5 | Very high | 93 | Very high | 58 Ų | 58 | 54 Ų | 54 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | K561 T562 V563 F568 E569 | K561-T565 WeakPolarHBondContact O-CB 3.47Å; K561-T565 PolarHBondContact O-N 2.91Å; K561-T565 PolarHBondContact O-OG1 3.31Å; T562-T565 PolarHBondContact O-N 3.33Å; V563-T565 VanDerWaalsContact C-N 3.34Å; V563-T565 PolarHBondContact O-N 3.19Å; T565-F568 WeakPolarHBondContact O-CB 3.42Å; T565-F568 PolarHBondContact O-N 2.63Å; T565-E569 PolarHBondContact O-N 3.02Å |
| 566 | K | 91.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.4 | -164.3 | 65.9 | -177.7 | 173.3 | 0 | 113.1 | T562 V563 I564 F568 E569 F570 | T562-K566 WeakPolarHBondContact O-CB 3.42Å; T562-K566 PolarHBondContact O-N 3.41Å; V563-K566 WeakPolarHBondContact O-CB 3.22Å; V563-K566 PolarHBondContact O-N 2.7Å; V563-K566 VanDerWaalsContact O-N 3.11Å; I564-K566 VanDerWaalsContact C-N 3.25Å; I564-K566 PolarHBondContact O-N 2.93Å; K566-F568 VanDerWaalsContact C-N 3.31Å; K566-E569 HydrophobicContact CD-CB 4.48Å; K566-E569 WeakPolarHBondContact CD-OE2 3.4Å; K566-E569 WeakPolarHBondContact CE-OE2 3.47Å; K566-E569 IonicContact NZ-OE2 2.76Å; K566-E569 PolarHBondContact NZ-OE2 3.25Å; K566-E569 WeakPolarHBondContact O-CB 3.43Å; K566-E569 PolarHBondContact O-N 3.48Å; K566-F570 HydrophobicContact CD-CZ 4.44Å; K566-F570 HydrophobicContact CG-CD2 4.31Å; K566-F570 HydrophobicContact CG-CE2 3.77Å; K566-F570 HydrophobicContact CG-CZ 3.97Å; K566-F570 WeakPolarHBondContact O-CD2 3.49Å; K566-F570 WeakPolarHBondContact O-CG 3.46Å; K566-F570 PolarHBondContact O-N 2.93Å |
| 567 | L | 95 | Very high | 91.6 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 171.7 | -64.6 | 176.3 | 0 | 0 | 0 | 110.7 | M543 V563 I564 E569 F570 M571 A582 T585 F586 I589 | M543-L567 HydrophobicContact CG-CD2 3.77Å; M543-L567 HydrophobicContact SD-CD2 3.62Å; V563-L567 HydrophobicContact CG1-CD1 4.32Å; V563-L567 HydrophobicContact CG1-CG 4.43Å; V563-L567 WeakPolarHBondContact O-CG 3.39Å; V563-L567 PolarHBondContact O-N 3.19Å; I564-L567 WeakPolarHBondContact O-CB 3.46Å; I564-L567 PolarHBondContact O-N 2.71Å; I564-L567 VanDerWaalsContact O-N 3.1Å; L567-E569 VanDerWaalsContact C-N 3.34Å; L567-F570 CarbonylContact O-C 3.52Å; L567-F570 PolarHBondContact O-N 3.07Å; L567-F570 VanDerWaalsContact O-N 3.15Å; L567-M571 WeakPolarHBondContact O-CG 3.26Å; L567-M571 PolarHBondContact O-N 3Å; L567-A582 HydrophobicContact CD2-CB 4.46Å; L567-T585 HydrophobicContact CD1-CG2 3.91Å; L567-T585 HydrophobicContact CD2-CG2 3.98Å; L567-F586 HydrophobicContact CD1-CB 4.09Å; L567-I589 HydrophobicContact CD1-CD1 3.83Å |
| 568 | F | 96.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 173.6 | -58.6 | -21.5 | 0 | 0 | 0 | 111.7 | I564 T565 K566 F570 M571 H572 F586 F608 I612 I619 F631 | I564-F568 HydrophobicContact CG2-CD1 4.42Å; I564-F568 HydrophobicContact CG2-CD2 4.26Å; I564-F568 HydrophobicContact CG2-CE1 3.75Å; I564-F568 HydrophobicContact CG2-CE2 3.58Å; I564-F568 HydrophobicContact CG2-CZ 3.29Å; I564-F568 WeakPolarHBondContact O-CG 3.35Å; I564-F568 PolarHBondContact O-N 2.75Å; T565-F568 WeakPolarHBondContact O-CB 3.42Å; T565-F568 PolarHBondContact O-N 2.63Å; K566-F568 VanDerWaalsContact C-N 3.31Å; F568-F570 VanDerWaalsContact C-N 3.33Å; F568-F570 PolarHBondContact O-N 3.4Å; F568-M571 HydrophobicContact CD1-CE 4.01Å; F568-M571 HydrophobicContact CD1-SD 3.83Å; F568-M571 HydrophobicContact CE1-CE 4.36Å; F568-M571 WeakPolarHBondContact O-CB 3.33Å; F568-M571 PolarHBondContact O-N 3.37Å; F568-H572 PolarHBondContact O-CD2 3.23Å; F568-F586 HydrophobicContact CE1-CD1 4.36Å; F568-F586 AromaticContact CE1-CD2 3.97Å; F568-F586 HydrophobicContact CE1-CD2 3.97Å; F568-F586 HydrophobicContact CE1-CE1 4.1Å; F568-F586 AromaticContact CE1-CE2 3.69Å; F568-F586 HydrophobicContact CE1-CE2 3.69Å; F568-F586 HydrophobicContact CE1-CG 4.31Å; F568-F586 AromaticContact CE1-CZ 3.76Å; F568-F586 HydrophobicContact CE1-CZ 3.76Å; F568-F586 AromaticContact CZ-CE2 3.84Å; F568-F586 HydrophobicContact CZ-CE2 3.84Å; F568-F586 AromaticContact CZ-CZ 3.89Å; F568-F586 HydrophobicContact CZ-CZ 3.89Å; F568-F608 HydrophobicContact CE2-CZ 4.42Å; F568-I612 HydrophobicContact CE2-CG1 4.03Å; F568-I612 HydrophobicContact CZ-CD1 4.15Å; F568-I612 HydrophobicContact CZ-CG1 3.98Å; F568-I612 HydrophobicContact CZ-CG2 4.47Å; F568-I619 HydrophobicContact CB-CG1 4.43Å; F568-I619 HydrophobicContact CB-CG2 4.15Å; F568-I619 HydrophobicContact CD1-CG2 3.68Å; F568-I619 HydrophobicContact CD2-CD1 3.84Å; F568-I619 HydrophobicContact CD2-CG1 4.12Å; F568-I619 HydrophobicContact CE1-CG2 4.2Å; F568-I619 HydrophobicContact CE2-CD1 3.79Å; F568-I619 HydrophobicContact CG-CD1 4.26Å; F568-I619 HydrophobicContact CG-CG1 4.19Å; F568-I619 HydrophobicContact CG-CG2 3.89Å; F568-I619 HydrophobicContact CZ-CD1 4.17Å; F568-F631 HydrophobicContact CD1-CE2 4.35Å; F568-F631 AromaticContact CE1-CE2 3.8Å; F568-F631 HydrophobicContact CE1-CE2 3.8Å; F568-F631 HydrophobicContact CZ-CE2 4.43Å |
| 569 | E | 93.6 | Very high | 91.1 | Very high | 102 Ų | 102 | 50.7 Ų | 50.7 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 170.8 | -68 | 177 | -151.4 | 0 | 0 | 112.5 | T565 K566 L567 M571 H572 | T565-E569 PolarHBondContact O-N 3.02Å; K566-E569 HydrophobicContact CD-CB 4.48Å; K566-E569 WeakPolarHBondContact CD-OE2 3.4Å; K566-E569 WeakPolarHBondContact CE-OE2 3.47Å; K566-E569 IonicContact NZ-OE2 2.76Å; K566-E569 PolarHBondContact NZ-OE2 3.25Å; K566-E569 WeakPolarHBondContact O-CB 3.43Å; K566-E569 PolarHBondContact O-N 3.48Å; L567-E569 VanDerWaalsContact C-N 3.34Å; E569-M571 VanDerWaalsContact C-N 3.26Å; E569-M571 PolarHBondContact O-N 3.31Å; E569-H572 WeakPolarHBondContact O-CB 3.32Å; E569-H572 PolarHBondContact O-N 3.44Å; E569-H572 VanDerWaalsContact O-N 3.1Å |
| 570 | F | 92.4 | Very high | 91 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 18% | 0.18 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -19.3 | 177.6 | -68 | -37 | 0 | 0 | 0 | 113.9 | A539 M543 K566 L567 F568 H572 E573 V578 A582 | A539-F570 HydrophobicContact CB-CE1 4.48Å; A539-F570 HydrophobicContact CB-CE2 4.46Å; A539-F570 HydrophobicContact CB-CZ 4.06Å; M543-F570 HydrophobicContact CE-CD2 4.33Å; M543-F570 HydrophobicContact CG-CD2 4.33Å; M543-F570 HydrophobicContact CG-CE2 4.34Å; M543-F570 HydrophobicContact SD-CD2 3.75Å; M543-F570 HydrophobicContact SD-CE2 4.29Å; K566-F570 HydrophobicContact CD-CZ 4.44Å; K566-F570 HydrophobicContact CG-CD2 4.31Å; K566-F570 HydrophobicContact CG-CE2 3.77Å; K566-F570 HydrophobicContact CG-CZ 3.97Å; K566-F570 WeakPolarHBondContact O-CD2 3.49Å; K566-F570 WeakPolarHBondContact O-CG 3.46Å; K566-F570 PolarHBondContact O-N 2.93Å; L567-F570 CarbonylContact O-C 3.52Å; L567-F570 PolarHBondContact O-N 3.07Å; L567-F570 VanDerWaalsContact O-N 3.15Å; F568-F570 VanDerWaalsContact C-N 3.33Å; F568-F570 PolarHBondContact O-N 3.4Å; F570-H572 PolarHBondContact O-N 3.12Å; F570-E573 WeakPolarHBondContact O-CB 3.43Å; F570-E573 PolarHBondContact O-N 2.97Å; F570-E573 VanDerWaalsContact O-N 3.08Å; F570-V578 HydrophobicContact CB-CG1 4.05Å; F570-V578 HydrophobicContact CD1-CG1 4.35Å; F570-V578 HydrophobicContact CG-CG1 4.31Å; F570-A582 HydrophobicContact CB-CB 3.78Å |
| 571 | M | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.6 | 169.5 | -69.9 | 171.9 | -174.2 | 0 | 0 | 112.2 | L567 F568 E569 Q579 A582 F586 I619 L623 F631 | L567-M571 WeakPolarHBondContact O-CG 3.26Å; L567-M571 PolarHBondContact O-N 3Å; F568-M571 HydrophobicContact CD1-CE 4.01Å; F568-M571 HydrophobicContact CD1-SD 3.83Å; F568-M571 HydrophobicContact CE1-CE 4.36Å; F568-M571 WeakPolarHBondContact O-CB 3.33Å; F568-M571 PolarHBondContact O-N 3.37Å; E569-M571 VanDerWaalsContact C-N 3.26Å; E569-M571 PolarHBondContact O-N 3.31Å; M571-Q579 PolarHBondContact O-NE2 3.49Å; M571-A582 HydrophobicContact CG-CB 4.11Å; M571-F586 HydrophobicContact CE-CB 3.92Å; M571-F586 HydrophobicContact CE-CD1 4.07Å; M571-F586 HydrophobicContact CE-CG 4.13Å; M571-I619 HydrophobicContact SD-CG2 3.69Å; M571-L623 HydrophobicContact CB-CD1 4.31Å; M571-L623 HydrophobicContact CB-CD2 3.7Å; M571-L623 HydrophobicContact CB-CG 4.16Å; M571-L623 HydrophobicContact CG-CD1 4.21Å; M571-L623 HydrophobicContact CG-CD2 3.98Å; M571-L623 WeakPolarHBondContact O-CD2 3.39Å; M571-L623 HydrophobicContact SD-CD1 4.08Å; M571-F631 HydrophobicContact CE-CD2 3.97Å; M571-F631 HydrophobicContact CE-CE2 4.42Å; M571-F631 HydrophobicContact SD-CD2 4.01Å; M571-F631 HydrophobicContact SD-CE2 4.26Å |
| 572 | H | 95.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.3 | 172.9 | -60.5 | -73.7 | 0 | 0 | 0 | 113.9 | F568 E569 F570 I618 D622 | F568-H572 PolarHBondContact O-CD2 3.23Å; E569-H572 WeakPolarHBondContact O-CB 3.32Å; E569-H572 PolarHBondContact O-N 3.44Å; E569-H572 VanDerWaalsContact O-N 3.1Å; F570-H572 PolarHBondContact O-N 3.12Å; H572-I618 PolarHBondContact CE1-O 3.36Å; H572-I618 PolarHBondContact NE2-O 3.32Å; H572-D622 IonicContact CE1-OD2 3.69Å; H572-D622 IonicContact CG-OD2 2.74Å; H572-D622 IonicContact ND1-OD2 3.83Å; H572-D622 PolarHBondContact ND1-OD2 3.28Å |
| 573 | E | 90.5 | Very high | 90.6 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | trans | -78.7 | 130.7 | -179.3 | -179.6 | 53.9 | -105.9 | 0 | 0 | 111.5 | F570 H575 V578 Q579 | F570-E573 WeakPolarHBondContact O-CB 3.43Å; F570-E573 PolarHBondContact O-N 2.97Å; F570-E573 VanDerWaalsContact O-N 3.08Å; E573-H575 VanDerWaalsContact C-N 3.33Å; E573-H575 HydrophobicContact CG-CB 4.03Å; E573-H575 PolarHBondContact O-N 3.47Å; E573-H575 PolarHBondContact OE1-N 2.84Å; E573-V578 HydrophobicContact CB-CB 4.21Å; E573-V578 HydrophobicContact CB-CG1 3.78Å; E573-V578 HydrophobicContact CG-CB 4Å; E573-V578 HydrophobicContact CG-CG1 3.85Å; E573-V578 HydrophobicContact CG-CG2 4.27Å; E573-Q579 WeakPolarHBondContact O-CG 3.43Å | ||
| 574 | T | 87.4 | Confident | 90.5 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 64% | 0.644 | 24% | 0.236 | S | C | * | . | trans | -76.9 | -14 | -177.8 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | K532 | K532-T574 PolarHBondContact NZ-OG1 2.72Å; K532-T574 VanDerWaalsContact NZ-OG1 3.1Å | ||
| 575 | H | 80.8 | Confident | 90.4 | Very high | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -71.9 | 132.7 | -178.9 | -171 | -67.5 | 0 | 0 | 0 | 111.1 | D533 E573 G577 V578 | D533-H575 IonicContact OD1-CD2 3.35Å; D533-H575 IonicContact OD1-NE2 3.31Å; D533-H575 PolarHBondContact OD1-NE2 2.96Å; E573-H575 VanDerWaalsContact C-N 3.33Å; E573-H575 HydrophobicContact CG-CB 4.03Å; E573-H575 PolarHBondContact O-N 3.47Å; E573-H575 PolarHBondContact OE1-N 2.84Å; H575-G577 PolarHBondContact O-N 3.38Å; H575-V578 HydrophobicContact CB-CG2 3.87Å; H575-V578 PolarHBondContact O-N 2.88Å; H575-V578 VanDerWaalsContact O-N 3.15Å |
| 576 | E | 73.8 | Confident | 90.5 | Very high | 180 Ų | 180 | 43.2 Ų | 43.2 | 84% | 0.841 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | 133.1 | 179.5 | -168.3 | -180 | 172.1 | 0 | 0 | 111.6 | V578 | E576-V578 VanDerWaalsContact C-N 3.26Å; E576-V578 PolarHBondContact O-N 3.2Å |
| 577 | G | 81.5 | Confident | 90.7 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -14.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | H575 M581 | H575-G577 PolarHBondContact O-N 3.38Å; G577-M581 WeakPolarHBondContact O-CB 3.42Å; G577-M581 PolarHBondContact O-N 3.47Å |
| 578 | V | 87.9 | Confident | 90.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -46.2 | -179.1 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A536 M543 F570 E573 H575 E576 D580 M581 A582 | A536-V578 HydrophobicContact CB-CG2 3.81Å; M543-V578 HydrophobicContact CE-CG1 4.35Å; F570-V578 HydrophobicContact CB-CG1 4.05Å; F570-V578 HydrophobicContact CD1-CG1 4.35Å; F570-V578 HydrophobicContact CG-CG1 4.31Å; E573-V578 HydrophobicContact CB-CB 4.21Å; E573-V578 HydrophobicContact CB-CG1 3.78Å; E573-V578 HydrophobicContact CG-CB 4Å; E573-V578 HydrophobicContact CG-CG1 3.85Å; E573-V578 HydrophobicContact CG-CG2 4.27Å; H575-V578 HydrophobicContact CB-CG2 3.87Å; H575-V578 PolarHBondContact O-N 2.88Å; H575-V578 VanDerWaalsContact O-N 3.15Å; E576-V578 VanDerWaalsContact C-N 3.26Å; E576-V578 PolarHBondContact O-N 3.2Å; V578-D580 VanDerWaalsContact C-N 3.31Å; V578-D580 PolarHBondContact O-N 3.16Å; V578-M581 PolarHBondContact O-N 2.97Å; V578-A582 WeakPolarHBondContact O-CB 3.33Å; V578-A582 PolarHBondContact O-N 3.39Å |
| 579 | Q | 91.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 176.1 | -64 | 179.4 | -44.3 | 0 | 0 | 111.9 | M571 E573 A582 C583 D622 L623 Q627 | M571-Q579 PolarHBondContact O-NE2 3.49Å; E573-Q579 WeakPolarHBondContact O-CG 3.43Å; Q579-A582 WeakPolarHBondContact O-CB 3.43Å; Q579-A582 PolarHBondContact O-N 3.14Å; Q579-C583 PolarHBondContact O-N 3.44Å; Q579-C583 PolarHBondContact O-SG 3.37Å; Q579-D622 PolarHBondContact NE2-O 3.27Å; Q579-L623 HydrophobicContact CB-CD2 4.05Å; Q579-L623 HydrophobicContact CG-CD2 4.36Å; Q579-Q627 VanDerWaalsContact CB-NE2 3.34Å |
| 580 | D | 89.2 | Confident | 90.8 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -51.4 | 176.4 | -78 | -23.8 | 0 | 0 | 0 | 110.9 | R440 V578 A582 C583 D584 Q627 | R440-D580 IonicContact CZ-OD1 3.52Å; R440-D580 IonicContact CZ-OD2 2.87Å; R440-D580 IonicContact NE-OD1 3.68Å; R440-D580 PolarHBondContact NE-OD1 3.34Å; R440-D580 IonicContact NE-OD2 3.05Å; R440-D580 VanDerWaalsContact NH1-CB 3.25Å; R440-D580 IonicContact NH1-OD1 3.44Å; R440-D580 PolarHBondContact NH1-OD1 3.21Å; R440-D580 IonicContact NH1-OD2 3.95Å; R440-D580 IonicContact NH2-OD1 3.23Å; R440-D580 PolarHBondContact NH2-OD1 2.88Å; V578-D580 VanDerWaalsContact C-N 3.31Å; V578-D580 PolarHBondContact O-N 3.16Å; D580-A582 VanDerWaalsContact C-N 3.29Å; D580-A582 PolarHBondContact O-N 2.96Å; D580-C583 PolarHBondContact O-N 2.85Å; D580-D584 WeakPolarHBondContact O-CB 3.44Å; D580-D584 PolarHBondContact O-N 3.27Å; D580-Q627 VanDerWaalsContact OD1-CG 3.31Å; D580-Q627 WeakPolarHBondContact OD1-CG 3.41Å; D580-Q627 PolarHBondContact OD1-NE2 2.8Å |
| 581 | M | 88.1 | Confident | 91 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 179.1 | -170.4 | 161.1 | -165.6 | 0 | 0 | 112.7 | S540 M543 G577 V578 T585 | S540-M581 WeakPolarHBondContact CA-SD 3.23Å; S540-M581 WeakPolarHBondContact CB-SD 3.43Å; S540-M581 WeakPolarHBondContact O-CE 3.03Å; M543-M581 HydrophobicContact CB-CE 4.08Å; M543-M581 HydrophobicContact CB-CG 4.17Å; M543-M581 HydrophobicContact CB-SD 4.41Å; M543-M581 HydrophobicContact CE-CB 3.84Å; M543-M581 HydrophobicContact CE-CG 3.71Å; M543-M581 HydrophobicContact CE-SD 4.01Å; M543-M581 HydrophobicContact SD-CB 4.43Å; M543-M581 HydrophobicContact SD-CG 4.13Å; G577-M581 WeakPolarHBondContact O-CB 3.42Å; G577-M581 PolarHBondContact O-N 3.47Å; V578-M581 PolarHBondContact O-N 2.97Å; M581-T585 VanDerWaalsContact O-CB 3.22Å; M581-T585 WeakPolarHBondContact O-CB 3.26Å; M581-T585 PolarHBondContact O-N 3.39Å; M581-T585 PolarHBondContact O-OG1 3.05Å |
| 582 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M543 L567 F570 M571 V578 Q579 D580 T585 F586 | M543-A582 HydrophobicContact SD-CB 4.16Å; L567-A582 HydrophobicContact CD2-CB 4.46Å; F570-A582 HydrophobicContact CB-CB 3.78Å; M571-A582 HydrophobicContact CG-CB 4.11Å; V578-A582 WeakPolarHBondContact O-CB 3.33Å; V578-A582 PolarHBondContact O-N 3.39Å; Q579-A582 WeakPolarHBondContact O-CB 3.43Å; Q579-A582 PolarHBondContact O-N 3.14Å; D580-A582 VanDerWaalsContact C-N 3.29Å; D580-A582 PolarHBondContact O-N 2.96Å; A582-T585 PolarHBondContact O-N 2.91Å; A582-F586 VanDerWaalsContact O-CB 3.28Å; A582-F586 WeakPolarHBondContact O-CB 3.25Å; A582-F586 PolarHBondContact O-N 2.89Å |
| 583 | C | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 176 | -65 | 0 | 0 | 0 | 0 | 112.1 | Q579 D580 T585 F586 I587 T630 | Q579-C583 PolarHBondContact O-N 3.44Å; Q579-C583 PolarHBondContact O-SG 3.37Å; D580-C583 PolarHBondContact O-N 2.85Å; C583-T585 VanDerWaalsContact C-N 3.32Å; C583-T585 PolarHBondContact O-N 3.47Å; C583-F586 PolarHBondContact O-N 3.21Å; C583-I587 WeakPolarHBondContact O-CG2 3.42Å; C583-I587 PolarHBondContact O-N 2.84Å; C583-T630 HydrophobicContact CB-CG2 4.06Å |
| 584 | D | 92.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 179.4 | -66.4 | -19.5 | 0 | 0 | 0 | 111.6 | R440 D580 I587 K588 | R440-D584 IonicContact NH1-OD2 2.65Å; D580-D584 WeakPolarHBondContact O-CB 3.44Å; D580-D584 PolarHBondContact O-N 3.27Å; D584-I587 VanDerWaalsContact O-CG2 3.24Å; D584-I587 WeakPolarHBondContact O-CG2 3.48Å; D584-K588 WeakPolarHBondContact O-CD 3.45Å; D584-K588 VanDerWaalsContact O-CG 3.23Å; D584-K588 WeakPolarHBondContact O-CG 3.24Å; D584-K588 PolarHBondContact O-N 2.91Å |
| 585 | T | 93 | Very high | 91.7 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.6 | -40.8 | 174.1 | -55 | 0 | 0 | 0 | 0 | 110.8 | M543 V546 L567 M581 A582 C583 K588 I589 | M543-T585 HydrophobicContact CB-CG2 4.32Å; M543-T585 WeakPolarHBondContact O-CG2 3.37Å; V546-T585 HydrophobicContact CG2-CG2 4.42Å; L567-T585 HydrophobicContact CD1-CG2 3.91Å; L567-T585 HydrophobicContact CD2-CG2 3.98Å; M581-T585 VanDerWaalsContact O-CB 3.22Å; M581-T585 WeakPolarHBondContact O-CB 3.26Å; M581-T585 PolarHBondContact O-N 3.39Å; M581-T585 PolarHBondContact O-OG1 3.05Å; A582-T585 PolarHBondContact O-N 2.91Å; C583-T585 VanDerWaalsContact C-N 3.32Å; C583-T585 PolarHBondContact O-N 3.47Å; T585-K588 PolarHBondContact O-N 3.45Å; T585-I589 HydrophobicContact CG2-CD1 4.03Å; T585-I589 HydrophobicContact CG2-CG1 4.45Å; T585-I589 WeakPolarHBondContact O-CG1 3.35Å; T585-I589 PolarHBondContact O-N 2.94Å |
| 586 | F | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 179 | 179.5 | -124 | 0 | 0 | 0 | 111.8 | I564 L567 F568 M571 A582 C583 K588 I589 A590 F631 A634 V635 I638 | I564-F586 HydrophobicContact CG2-CD2 4.09Å; I564-F586 HydrophobicContact CG2-CE2 3.75Å; L567-F586 HydrophobicContact CD1-CB 4.09Å; F568-F586 HydrophobicContact CE1-CD1 4.36Å; F568-F586 AromaticContact CE1-CD2 3.97Å; F568-F586 HydrophobicContact CE1-CD2 3.97Å; F568-F586 HydrophobicContact CE1-CE1 4.1Å; F568-F586 AromaticContact CE1-CE2 3.69Å; F568-F586 HydrophobicContact CE1-CE2 3.69Å; F568-F586 HydrophobicContact CE1-CG 4.31Å; F568-F586 AromaticContact CE1-CZ 3.76Å; F568-F586 HydrophobicContact CE1-CZ 3.76Å; F568-F586 AromaticContact CZ-CE2 3.84Å; F568-F586 HydrophobicContact CZ-CE2 3.84Å; F568-F586 AromaticContact CZ-CZ 3.89Å; F568-F586 HydrophobicContact CZ-CZ 3.89Å; M571-F586 HydrophobicContact CE-CB 3.92Å; M571-F586 HydrophobicContact CE-CD1 4.07Å; M571-F586 HydrophobicContact CE-CG 4.13Å; A582-F586 VanDerWaalsContact O-CB 3.28Å; A582-F586 WeakPolarHBondContact O-CB 3.25Å; A582-F586 PolarHBondContact O-N 2.89Å; C583-F586 PolarHBondContact O-N 3.21Å; F586-K588 PolarHBondContact O-N 3.09Å; F586-I589 PolarHBondContact O-N 3.29Å; F586-A590 WeakPolarHBondContact O-CB 3.39Å; F586-A590 PolarHBondContact O-N 3.12Å; F586-F631 AromaticContact CD1-CD2 3.81Å; F586-F631 HydrophobicContact CD1-CD2 3.81Å; F586-F631 HydrophobicContact CD1-CE2 4.1Å; F586-F631 AromaticContact CE1-CD2 3.63Å; F586-F631 HydrophobicContact CE1-CD2 3.63Å; F586-F631 AromaticContact CE1-CE2 3.56Å; F586-F631 HydrophobicContact CE1-CE2 3.56Å; F586-F631 HydrophobicContact CE1-CG 4.44Å; F586-F631 HydrophobicContact CE1-CZ 4.34Å; F586-F631 HydrophobicContact CZ-CE2 4.25Å; F586-A634 HydrophobicContact CD1-CB 3.57Å; F586-A634 HydrophobicContact CE1-CB 3.59Å; F586-A634 HydrophobicContact CG-CB 4.43Å; F586-A634 HydrophobicContact CZ-CB 4.46Å; F586-V635 HydrophobicContact CE1-CG2 4.12Å; F586-V635 HydrophobicContact CZ-CG2 4.36Å; F586-I638 HydrophobicContact CZ-CD1 4.11Å |
| 587 | I | 95.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.5 | -168.9 | 169.2 | 0 | 0 | 0 | 112.3 | C583 D584 A590 Q591 T630 E633 A634 | C583-I587 WeakPolarHBondContact O-CG2 3.42Å; C583-I587 PolarHBondContact O-N 2.84Å; D584-I587 VanDerWaalsContact O-CG2 3.24Å; D584-I587 WeakPolarHBondContact O-CG2 3.48Å; I587-A590 PolarHBondContact O-N 3.03Å; I587-Q591 HydrophobicContact CG1-CG 4.48Å; I587-Q591 WeakPolarHBondContact O-CB 3.32Å; I587-Q591 VanDerWaalsContact O-CG 3.27Å; I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.08Å; I587-T630 HydrophobicContact CB-CG2 4.15Å; I587-T630 HydrophobicContact CD1-CG2 4.23Å; I587-T630 HydrophobicContact CG2-CG2 3.93Å; I587-E633 HydrophobicContact CD1-CB 3.99Å; I587-E633 HydrophobicContact CD1-CG 3.77Å; I587-A634 HydrophobicContact CB-CB 3.8Å; I587-A634 HydrophobicContact CG1-CB 3.98Å |
| 588 | K | 93.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 36 Ų | 36 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.4 | -73.8 | 171.8 | -166.5 | 177.4 | 0 | 111.5 | E426 D584 T585 F586 Q591 K592 | E426-K588 IonicContact OE1-NZ 2.88Å; E426-K588 PolarHBondContact OE1-NZ 3.25Å; E426-K588 IonicContact OE2-NZ 3.54Å; E426-K588 PolarHBondContact OE2-NZ 2.88Å; D584-K588 WeakPolarHBondContact O-CD 3.45Å; D584-K588 VanDerWaalsContact O-CG 3.23Å; D584-K588 WeakPolarHBondContact O-CG 3.24Å; D584-K588 PolarHBondContact O-N 2.91Å; T585-K588 PolarHBondContact O-N 3.45Å; F586-K588 PolarHBondContact O-N 3.09Å; K588-Q591 PolarHBondContact O-N 2.98Å; K588-K592 WeakPolarHBondContact O-CG 3.39Å; K588-K592 PolarHBondContact O-N 2.76Å |
| 589 | I | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 176 | -68.4 | 176.3 | 0 | 0 | 0 | 110.3 | L553 L560 V563 I564 L567 T585 F586 Q591 K592 C593 | L553-I589 HydrophobicContact CD1-CD1 3.99Å; L553-I589 HydrophobicContact CD1-CG1 3.91Å; L553-I589 HydrophobicContact CD1-CG2 4.46Å; L560-I589 HydrophobicContact CD1-CG2 3.58Å; V563-I589 HydrophobicContact CG1-CD1 3.74Å; I564-I589 HydrophobicContact CD1-CG2 4.15Å; I564-I589 HydrophobicContact CG1-CG2 4.21Å; L567-I589 HydrophobicContact CD1-CD1 3.83Å; T585-I589 HydrophobicContact CG2-CD1 4.03Å; T585-I589 HydrophobicContact CG2-CG1 4.45Å; T585-I589 WeakPolarHBondContact O-CG1 3.35Å; T585-I589 PolarHBondContact O-N 2.94Å; F586-I589 PolarHBondContact O-N 3.29Å; I589-Q591 VanDerWaalsContact C-N 3.34Å; I589-Q591 PolarHBondContact O-N 2.93Å; I589-K592 PolarHBondContact O-N 3.49Å; I589-K592 VanDerWaalsContact O-N 3.12Å; I589-C593 HydrophobicContact CG2-CB 4.16Å; I589-C593 WeakPolarHBondContact O-CA 3.09Å; I589-C593 VanDerWaalsContact O-CB 3.24Å; I589-C593 WeakPolarHBondContact O-CB 3.35Å; I589-C593 PolarHBondContact O-N 3.44Å |
| 590 | A | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.6 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F586 I587 K592 R594 A634 I638 | F586-A590 WeakPolarHBondContact O-CB 3.39Å; F586-A590 PolarHBondContact O-N 3.12Å; I587-A590 PolarHBondContact O-N 3.03Å; A590-K592 VanDerWaalsContact C-N 3.31Å; A590-K592 PolarHBondContact O-N 3.37Å; A590-R594 WeakPolarHBondContact O-CA 3.48Å; A590-R594 WeakPolarHBondContact O-CB 3.48Å; A590-R594 PolarHBondContact O-N 3.23Å; A590-A634 HydrophobicContact CB-CB 4.04Å; A590-A634 WeakPolarHBondContact CB-O 3.49Å; A590-I638 HydrophobicContact CB-CD1 4.11Å; A590-I638 HydrophobicContact CB-CG1 3.83Å |
| 591 | Q | 96.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.4 | -37.7 | 177.1 | -71.7 | 171.9 | -4 | 0 | 0 | 113.8 | I587 K588 I589 V637 | I587-Q591 HydrophobicContact CG1-CG 4.48Å; I587-Q591 WeakPolarHBondContact O-CB 3.32Å; I587-Q591 VanDerWaalsContact O-CG 3.27Å; I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.08Å; K588-Q591 PolarHBondContact O-N 2.98Å; I589-Q591 VanDerWaalsContact C-N 3.34Å; I589-Q591 PolarHBondContact O-N 2.93Å; Q591-V637 HydrophobicContact CB-CG1 4.39Å; Q591-V637 HydrophobicContact CG-CG1 3.99Å; Q591-V637 HydrophobicContact CG-CG2 4.24Å |
| 592 | K | 94.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 49.5 Ų | 49.5 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -95.7 | -18.7 | -174.6 | -57.4 | -64.3 | -176.9 | -176.5 | 0 | 114.3 | P550 R554 K588 I589 A590 | P550-K592 HydrophobicContact CB-CB 3.38Å; P550-K592 HydrophobicContact CB-CG 4Å; P550-K592 HydrophobicContact CG-CB 3.98Å; P550-K592 HydrophobicContact CG-CG 4.08Å; R554-K592 PolarHBondContact NH1-O 2.98Å; K588-K592 WeakPolarHBondContact O-CG 3.39Å; K588-K592 PolarHBondContact O-N 2.76Å; I589-K592 PolarHBondContact O-N 3.49Å; I589-K592 VanDerWaalsContact O-N 3.12Å; A590-K592 VanDerWaalsContact C-N 3.31Å; A590-K592 PolarHBondContact O-N 3.37Å |
| 593 | C | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -125.7 | 8.5 | -173.4 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | R554 L560 I589 R595 Q596 | R554-C593 HydrophobicContact CG-CB 4.48Å; L560-C593 HydrophobicContact CD1-CB 4.45Å; L560-C593 HydrophobicContact CD2-CB 4.06Å; I589-C593 HydrophobicContact CG2-CB 4.16Å; I589-C593 WeakPolarHBondContact O-CA 3.09Å; I589-C593 VanDerWaalsContact O-CB 3.24Å; I589-C593 WeakPolarHBondContact O-CB 3.35Å; I589-C593 PolarHBondContact O-N 3.44Å; C593-R595 PolarHBondContact O-N 3.35Å; C593-Q596 WeakPolarHBondContact O-CB 3.42Å; C593-Q596 PolarHBondContact O-N 2.93Å; C593-Q596 PolarHBondContact O-OE1 3.24Å; C593-Q596 VanDerWaalsContact O-OE1 3.08Å |
| 594 | R | 96.9 | Very high | 95.1 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -44.7 | -41.2 | -179.6 | 53.6 | -171.4 | -175 | 169.2 | -0.9 | 115.3 | A590 Q596 L597 V598 V637 S640 A641 | A590-R594 WeakPolarHBondContact O-CA 3.48Å; A590-R594 WeakPolarHBondContact O-CB 3.48Å; A590-R594 PolarHBondContact O-N 3.23Å; R594-Q596 VanDerWaalsContact C-N 3.33Å; R594-Q596 PolarHBondContact O-N 3.25Å; R594-L597 PolarHBondContact O-N 3.39Å; R594-L597 VanDerWaalsContact O-N 3.09Å; R594-V598 PolarHBondContact O-N 3.09Å; R594-V637 WeakPolarHBondContact CD-O 3.33Å; R594-S640 PolarHBondContact NH1-OG 2.94Å; R594-A641 HydrophobicContact CB-CB 3.81Å; R594-A641 HydrophobicContact CG-CB 3.75Å |
| 595 | R | 95.9 | Very high | 95.2 | Very high | 187 Ų | 187 | 58.9 Ų | 58.9 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | -179.3 | -71.2 | -174.9 | 179.1 | 173.6 | -0.1 | 112.7 | C593 L597 T599 | C593-R595 PolarHBondContact O-N 3.35Å; R595-L597 PolarHBondContact O-N 3.47Å; R595-T599 WeakPolarHBondContact O-CG2 3.17Å; R595-T599 PolarHBondContact O-N 3.11Å; R595-T599 PolarHBondContact O-OG1 2.86Å |
| 596 | Q | 96.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -27 | 178 | -74 | 68 | 24.9 | 0 | 0 | 111.9 | W557 L560 C593 R594 T599 Q601 | W557-Q596 HydrophobicContact CE3-CB 4.43Å; W557-Q596 HydrophobicContact CZ3-CB 4.29Å; L560-Q596 HydrophobicContact CD2-CB 3.96Å; L560-Q596 HydrophobicContact CD2-CG 4.4Å; C593-Q596 WeakPolarHBondContact O-CB 3.42Å; C593-Q596 PolarHBondContact O-N 2.93Å; C593-Q596 PolarHBondContact O-OE1 3.24Å; C593-Q596 VanDerWaalsContact O-OE1 3.08Å; R594-Q596 VanDerWaalsContact C-N 3.33Å; R594-Q596 PolarHBondContact O-N 3.25Å; Q596-T599 PolarHBondContact O-OG1 3.25Å; Q596-Q601 PolarHBondContact O-NE2 3.01Å; Q596-Q601 VanDerWaalsContact O-NE2 3.12Å |
| 597 | L | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -87.5 | -22.1 | -172.8 | -56.6 | 169.7 | 0 | 0 | 0 | 112.8 | W557 L560 I564 R594 R595 F608 I609 I638 | W557-L597 HydrophobicContact CH2-CD2 4.22Å; W557-L597 HydrophobicContact CZ3-CD2 4.01Å; L560-L597 HydrophobicContact CD2-CD2 4.43Å; I564-L597 HydrophobicContact CD1-CD1 4.22Å; I564-L597 HydrophobicContact CD1-CD2 3.48Å; I564-L597 VanDerWaalsContact CD1-CD2 3.48Å; R594-L597 PolarHBondContact O-N 3.39Å; R594-L597 VanDerWaalsContact O-N 3.09Å; R595-L597 PolarHBondContact O-N 3.47Å; L597-F608 HydrophobicContact CD2-CD1 3.73Å; L597-F608 HydrophobicContact CD2-CE1 4.46Å; L597-F608 PolarHBondContact O-N 3.15Å; L597-I609 PolarHBondContact O-N 2.9Å; L597-I638 HydrophobicContact CB-CG1 4.48Å; L597-I638 HydrophobicContact CB-CG2 3.61Å; L597-I638 HydrophobicContact CD1-CD1 3.6Å; L597-I638 HydrophobicContact CD1-CG1 3.72Å; L597-I638 HydrophobicContact CD1-CG2 4.44Å |
| 598 | V | 96.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -102.3 | 11.6 | 174.5 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | R594 E607 I609 I638 A641 | R594-V598 PolarHBondContact O-N 3.09Å; V598-E607 VanDerWaalsContact O-CD 3.24Å; V598-I609 HydrophobicContact CG1-CG2 4.32Å; V598-I638 HydrophobicContact CG1-CG2 3.59Å; V598-I638 WeakPolarHBondContact CG1-O 3.41Å; V598-A641 HydrophobicContact CG2-CB 3.95Å |
| 599 | T | 94.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -121.6 | 143.6 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | R595 Q596 Q601 | R595-T599 WeakPolarHBondContact O-CG2 3.17Å; R595-T599 PolarHBondContact O-N 3.11Å; R595-T599 PolarHBondContact O-OG1 2.86Å; Q596-T599 PolarHBondContact O-OG1 3.25Å; T599-Q601 PolarHBondContact O-N 3.15Å; T599-Q601 PolarHBondContact OG1-NE2 2.83Å |
| 600 | V | 95.3 | Very high | 95.3 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | trans | -69.6 | 115.6 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | E604 E607 | V600-E604 WeakPolarHBondContact CG1-O 3.42Å; V600-E607 HydrophobicContact CG2-CG 3.87Å | ||
| 601 | Q | 95.7 | Very high | 95.3 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | trans | -88.8 | 160.3 | -175.9 | -65.4 | -71.1 | -33.9 | 0 | 0 | 111.4 | W557 Q596 T599 G603 E604 | W557-Q601 HydrophobicContact CD2-CB 3.58Å; W557-Q601 HydrophobicContact CD2-CG 3.4Å; W557-Q601 VanDerWaalsContact CD2-CG 3.4Å; W557-Q601 VanDerWaalsContact CE2-CB 3.47Å; W557-Q601 HydrophobicContact CE3-CB 4.27Å; W557-Q601 HydrophobicContact CE3-CG 3.55Å; W557-Q601 HydrophobicContact CG-CB 3.65Å; W557-Q601 HydrophobicContact CG-CG 3.9Å; W557-Q601 HydrophobicContact CH2-CG 4Å; W557-Q601 HydrophobicContact CZ2-CB 4.07Å; W557-Q601 HydrophobicContact CZ2-CG 3.88Å; W557-Q601 HydrophobicContact CZ3-CG 3.85Å; Q596-Q601 PolarHBondContact O-NE2 3.01Å; Q596-Q601 VanDerWaalsContact O-NE2 3.12Å; T599-Q601 PolarHBondContact O-N 3.15Å; T599-Q601 PolarHBondContact OG1-NE2 2.83Å; Q601-G603 PolarHBondContact O-N 3.48Å; Q601-G603 VanDerWaalsContact O-N 3.13Å; Q601-E604 HydrophobicContact CB-CG 4.02Å; Q601-E604 PolarHBondContact O-N 3.2Å | ||
| 602 | Y | 91 | Very high | 95.4 | Very high | 207 Ų | 207 | 61.5 Ų | 61.5 | 81% | 0.812 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 119.7 | -178.5 | -179.1 | -94.4 | 0 | 0 | 0 | 111.7 | ||
| 603 | G | 92.5 | Very high | 95.5 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 73% | 0.732 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -0.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q601 | Q601-G603 PolarHBondContact O-N 3.48Å; Q601-G603 VanDerWaalsContact O-N 3.13Å |
| 604 | E | 94.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | trans | -99.4 | 149.2 | 175.2 | -54.5 | -64.7 | 166.2 | 0 | 0 | 110.8 | W557 K561 V600 Q601 | W557-E604 HydrophobicContact CZ2-CG 4.14Å; W557-E604 VanDerWaalsContact NE1-CG 3.3Å; W557-E604 PolarHBondContact NE1-OE1 2.98Å; K561-E604 WeakPolarHBondContact CD-OE1 3.47Å; K561-E604 IonicContact NZ-OE1 3.07Å; K561-E604 PolarHBondContact NZ-OE1 3.02Å; K561-E604 IonicContact NZ-OE2 3.5Å; K561-E604 PolarHBondContact NZ-OE2 2.91Å; V600-E604 WeakPolarHBondContact CG1-O 3.42Å; Q601-E604 HydrophobicContact CB-CG 4.02Å; Q601-E604 PolarHBondContact O-N 3.2Å | ||
| 605 | A | 92.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 62.3 Ų | 62.3 | 81% | 0.81 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -87.9 | -27.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 606 | V | 93.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -138.7 | 167.2 | -176.6 | -63.9 | 0 | 0 | 0 | 0 | 110 | E610 E611 | V606-E610 HydrophobicContact CG2-CB 4.44Å; V606-E611 HydrophobicContact CG2-CG 4.27Å |
| 607 | E | 94.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | trans | -65.4 | 140.5 | 170.4 | -56.1 | 169.5 | -174 | 0 | 0 | 109.7 | V598 V600 I609 E610 Q651 | V598-E607 VanDerWaalsContact O-CD 3.24Å; V600-E607 HydrophobicContact CG2-CG 3.87Å; E607-I609 HydrophobicContact CB-CG2 3.79Å; E607-I609 PolarHBondContact O-N 2.87Å; E607-E610 HydrophobicContact CB-CG 4.27Å; E607-E610 VanDerWaalsContact O-CB 3.29Å; E607-E610 WeakPolarHBondContact O-CB 3.36Å; E607-E610 PolarHBondContact O-N 3.01Å; E607-Q651 PolarHBondContact OE2-NE2 3.09Å | ||
| 608 | F | 97 | Very high | 95.4 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -25.5 | -175.9 | -173.5 | -128.2 | 0 | 0 | 0 | 113.1 | W557 K561 I564 F568 L597 E610 E611 I612 | W557-F608 HydrophobicContact CH2-CB 3.55Å; W557-F608 HydrophobicContact CH2-CD1 4.06Å; W557-F608 AromaticContact CH2-CG 3.93Å; W557-F608 HydrophobicContact CH2-CG 3.93Å; W557-F608 HydrophobicContact CZ2-CB 3.95Å; W557-F608 HydrophobicContact CZ2-CG 4.3Å; K561-F608 HydrophobicContact CD-CD2 4.35Å; K561-F608 HydrophobicContact CD-CE2 4.31Å; K561-F608 HydrophobicContact CG-CD2 4.37Å; K561-F608 HydrophobicContact CG-CE2 4.02Å; K561-F608 HydrophobicContact CG-CZ 4.11Å; I564-F608 HydrophobicContact CB-CE1 4.05Å; I564-F608 HydrophobicContact CD1-CE1 4.09Å; I564-F608 HydrophobicContact CG2-CE1 3.71Å; I564-F608 HydrophobicContact CG2-CZ 4.19Å; F568-F608 HydrophobicContact CE2-CZ 4.42Å; L597-F608 HydrophobicContact CD2-CD1 3.73Å; L597-F608 HydrophobicContact CD2-CE1 4.46Å; L597-F608 PolarHBondContact O-N 3.15Å; F608-E610 PolarHBondContact O-N 2.84Å; F608-E611 HydrophobicContact CD2-CB 4.03Å; F608-E611 HydrophobicContact CD2-CG 4.32Å; F608-E611 WeakPolarHBondContact CD2-OE2 3.48Å; F608-E611 HydrophobicContact CE2-CB 4.27Å; F608-E611 WeakPolarHBondContact CE2-OE2 3.07Å; F608-E611 WeakPolarHBondContact O-CB 3.29Å; F608-E611 PolarHBondContact O-N 3.11Å; F608-E611 VanDerWaalsContact O-N 3.13Å; F608-I612 HydrophobicContact CD1-CD1 3.86Å; F608-I612 HydrophobicContact CD1-CG1 4.33Å; F608-I612 HydrophobicContact CE1-CD1 3.88Å; F608-I612 HydrophobicContact CE1-CG1 4.18Å; F608-I612 HydrophobicContact CZ-CG1 4.37Å; F608-I612 WeakPolarHBondContact O-CG1 3.09Å; F608-I612 PolarHBondContact O-N 2.69Å |
| 609 | I | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.6 | -33.3 | 169.8 | -174.9 | 56 | 0 | 0 | 0 | 112.3 | L597 V598 E607 E611 I612 L613 V635 I638 I639 | L597-I609 PolarHBondContact O-N 2.9Å; V598-I609 HydrophobicContact CG1-CG2 4.32Å; E607-I609 HydrophobicContact CB-CG2 3.79Å; E607-I609 PolarHBondContact O-N 2.87Å; I609-E611 VanDerWaalsContact C-N 3.34Å; I609-E611 PolarHBondContact O-N 2.58Å; I609-I612 PolarHBondContact O-N 3.38Å; I609-L613 HydrophobicContact CD1-CD1 4.36Å; I609-L613 HydrophobicContact CD1-CD2 4.42Å; I609-L613 HydrophobicContact CD1-CG 3.99Å; I609-L613 HydrophobicContact CG1-CD1 4.01Å; I609-L613 HydrophobicContact CG1-CG 4.13Å; I609-L613 WeakPolarHBondContact O-CB 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.25Å; I609-L613 PolarHBondContact O-N 3.33Å; I609-V635 HydrophobicContact CD1-CG1 3.69Å; I609-I638 HydrophobicContact CB-CG2 4.08Å; I609-I638 HydrophobicContact CD1-CB 4.26Å; I609-I638 HydrophobicContact CD1-CG2 3.86Å; I609-I638 HydrophobicContact CG1-CG2 4.09Å; I609-I639 HydrophobicContact CD1-CG1 4.06Å; I609-I639 HydrophobicContact CG1-CG1 4.13Å |
| 610 | E | 96.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 179.3 | -63.9 | -64.7 | 143.3 | 0 | 0 | 112.5 | V606 E607 F608 K614 Q651 R654 | V606-E610 HydrophobicContact CG2-CB 4.44Å; E607-E610 HydrophobicContact CB-CG 4.27Å; E607-E610 VanDerWaalsContact O-CB 3.29Å; E607-E610 WeakPolarHBondContact O-CB 3.36Å; E607-E610 PolarHBondContact O-N 3.01Å; F608-E610 PolarHBondContact O-N 2.84Å; E610-K614 WeakPolarHBondContact O-CB 3.17Å; E610-K614 PolarHBondContact O-N 3.26Å; E610-Q651 WeakPolarHBondContact OE1-CG 3.47Å; E610-Q651 PolarHBondContact OE1-NE2 3.13Å; E610-R654 PolarHBondContact O-NH2 2.94Å; E610-R654 VanDerWaalsContact O-NH2 3.12Å; E610-R654 IonicContact OE2-CZ 2.95Å; E610-R654 IonicContact OE2-NH1 2.78Å; E610-R654 PolarHBondContact OE2-NH1 2.91Å; E610-R654 IonicContact OE2-NH2 2.61Å |
| 611 | E | 96.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68 | -50.1 | 171.3 | -64.7 | 178.4 | -153 | 0 | 0 | 109.9 | K561 V606 F608 I609 L613 K614 E615 | K561-E611 WeakPolarHBondContact CE-OE2 3.24Å; K561-E611 IonicContact NZ-OE1 3.6Å; K561-E611 PolarHBondContact NZ-OE1 3.48Å; K561-E611 IonicContact NZ-OE2 2.75Å; K561-E611 PolarHBondContact NZ-OE2 2.59Å; K561-E611 VanDerWaalsContact NZ-OE2 3.15Å; V606-E611 HydrophobicContact CG2-CG 4.27Å; F608-E611 HydrophobicContact CD2-CB 4.03Å; F608-E611 HydrophobicContact CD2-CG 4.32Å; F608-E611 WeakPolarHBondContact CD2-OE2 3.48Å; F608-E611 HydrophobicContact CE2-CB 4.27Å; F608-E611 WeakPolarHBondContact CE2-OE2 3.07Å; F608-E611 WeakPolarHBondContact O-CB 3.29Å; F608-E611 PolarHBondContact O-N 3.11Å; F608-E611 VanDerWaalsContact O-N 3.13Å; I609-E611 VanDerWaalsContact C-N 3.34Å; I609-E611 PolarHBondContact O-N 2.58Å; E611-L613 PolarHBondContact O-N 2.72Å; E611-K614 WeakPolarHBondContact O-CB 3.33Å; E611-K614 PolarHBondContact O-N 3.24Å; E611-E615 PolarHBondContact O-N 2.9Å; E611-E615 VanDerWaalsContact O-N 3.15Å |
| 612 | I | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.6 | -49 | 178.3 | -63.4 | 168.9 | 0 | 0 | 0 | 110.8 | F568 F608 I609 K614 E615 I616 I619 F631 V635 I638 | F568-I612 HydrophobicContact CE2-CG1 4.03Å; F568-I612 HydrophobicContact CZ-CD1 4.15Å; F568-I612 HydrophobicContact CZ-CG1 3.98Å; F568-I612 HydrophobicContact CZ-CG2 4.47Å; F608-I612 HydrophobicContact CD1-CD1 3.86Å; F608-I612 HydrophobicContact CD1-CG1 4.33Å; F608-I612 HydrophobicContact CE1-CD1 3.88Å; F608-I612 HydrophobicContact CE1-CG1 4.18Å; F608-I612 HydrophobicContact CZ-CG1 4.37Å; F608-I612 WeakPolarHBondContact O-CG1 3.09Å; F608-I612 PolarHBondContact O-N 2.69Å; I609-I612 PolarHBondContact O-N 3.38Å; I612-K614 PolarHBondContact O-N 3.18Å; I612-E615 PolarHBondContact O-N 3.48Å; I612-I616 WeakPolarHBondContact O-CG1 3.24Å; I612-I616 PolarHBondContact O-N 3.15Å; I612-I616 VanDerWaalsContact O-N 3.12Å; I612-I619 HydrophobicContact CG2-CD1 4.47Å; I612-F631 HydrophobicContact CG2-CZ 4.09Å; I612-V635 HydrophobicContact CG2-CG2 4.06Å; I612-I638 HydrophobicContact CD1-CD1 4.38Å |
| 613 | L | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -23.9 | 179.9 | -72.3 | 177.7 | 0 | 0 | 0 | 113.3 | I609 E611 I616 V635 I639 Q651 R654 L655 | I609-L613 HydrophobicContact CD1-CD1 4.36Å; I609-L613 HydrophobicContact CD1-CD2 4.42Å; I609-L613 HydrophobicContact CD1-CG 3.99Å; I609-L613 HydrophobicContact CG1-CD1 4.01Å; I609-L613 HydrophobicContact CG1-CG 4.13Å; I609-L613 WeakPolarHBondContact O-CB 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.25Å; I609-L613 PolarHBondContact O-N 3.33Å; E611-L613 PolarHBondContact O-N 2.72Å; L613-I616 HydrophobicContact CD2-CD1 3.96Å; L613-V635 HydrophobicContact CD2-CG1 4.09Å; L613-I639 HydrophobicContact CD2-CD1 4.32Å; L613-Q651 HydrophobicContact CD1-CB 3.92Å; L613-Q651 HydrophobicContact CD1-CG 3.91Å; L613-R654 HydrophobicContact CD1-CB 4.18Å; L613-L655 HydrophobicContact CD2-CB 3.95Å; L613-L655 HydrophobicContact CD2-CD1 4.21Å |
| 614 | K | 96.3 | Very high | 95.8 | Very high | 145 Ų | 145 | 54.3 Ų | 54.3 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -81.1 | -32.7 | 177.7 | -176 | -174.9 | 173.4 | -165.6 | 0 | 111.8 | E610 E611 I612 | E610-K614 WeakPolarHBondContact O-CB 3.17Å; E610-K614 PolarHBondContact O-N 3.26Å; E611-K614 WeakPolarHBondContact O-CB 3.33Å; E611-K614 PolarHBondContact O-N 3.24Å; I612-K614 PolarHBondContact O-N 3.18Å |
| 615 | E | 96.3 | Very high | 95.7 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -106.7 | 10 | -171.3 | -63.1 | -176.5 | 175.5 | 0 | 0 | 113.7 | E611 I612 D617 I618 I619 | E611-E615 PolarHBondContact O-N 2.9Å; E611-E615 VanDerWaalsContact O-N 3.15Å; I612-E615 PolarHBondContact O-N 3.48Å; E615-D617 PolarHBondContact O-N 2.96Å; E615-D617 VanDerWaalsContact O-N 3.14Å; E615-I618 WeakPolarHBondContact O-CB 3.45Å; E615-I618 PolarHBondContact O-N 3.46Å; E615-I619 HydrophobicContact CB-CD1 4.11Å; E615-I619 HydrophobicContact CB-CG1 4.39Å; E615-I619 WeakPolarHBondContact O-CG1 3.46Å; E615-I619 PolarHBondContact O-N 3.15Å |
| 616 | I | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -47.8 | -46.3 | 179.9 | -65.2 | -174.1 | 0 | 0 | 0 | 111.7 | I612 L613 I618 I619 I620 F631 L655 | I612-I616 WeakPolarHBondContact O-CG1 3.24Å; I612-I616 PolarHBondContact O-N 3.15Å; I612-I616 VanDerWaalsContact O-N 3.12Å; L613-I616 HydrophobicContact CD2-CD1 3.96Å; I616-I618 PolarHBondContact O-N 2.84Å; I616-I619 PolarHBondContact O-N 3.02Å; I616-I620 HydrophobicContact CG2-CD1 3.82Å; I616-I620 HydrophobicContact CG2-CG1 4.4Å; I616-I620 HydrophobicContact CG2-CG2 4.33Å; I616-I620 WeakPolarHBondContact O-CG1 3.27Å; I616-I620 PolarHBondContact O-N 3.36Å; I616-I620 VanDerWaalsContact O-N 3.07Å; I616-F631 HydrophobicContact CG1-CE1 4.42Å; I616-F631 HydrophobicContact CG2-CE1 4.4Å; I616-L655 HydrophobicContact CD1-CD1 3.9Å |
| 617 | D | 95.2 | Very high | 95.7 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.9 | -32.5 | -178.6 | 46 | -70.5 | 0 | 0 | 0 | 113.2 | E615 R657 | E615-D617 PolarHBondContact O-N 2.96Å; E615-D617 VanDerWaalsContact O-N 3.14Å; D617-R657 IonicContact OD1-NH2 2.56Å; D617-R657 PolarHBondContact OD1-NH2 3.44Å; D617-R657 VanDerWaalsContact OD1-NH2 3.14Å |
| 618 | I | 97 | Very high | 95.8 | Very high | 102 Ų | 102 | 49 Ų | 49 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -78.2 | -48.7 | 176.2 | -58.6 | 172.4 | 0 | 0 | 0 | 109.3 | H572 E615 I616 I620 N621 | H572-I618 PolarHBondContact CE1-O 3.36Å; H572-I618 PolarHBondContact NE2-O 3.32Å; E615-I618 WeakPolarHBondContact O-CB 3.45Å; E615-I618 PolarHBondContact O-N 3.46Å; I616-I618 PolarHBondContact O-N 2.84Å; I618-I620 VanDerWaalsContact C-N 3.35Å; I618-I620 PolarHBondContact O-N 3.29Å; I618-N621 PolarHBondContact O-N 2.96Å |
| 619 | I | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | -172.1 | -63.5 | 163.3 | 0 | 0 | 0 | 112.3 | F568 M571 I612 E615 I616 F631 | F568-I619 HydrophobicContact CB-CG1 4.43Å; F568-I619 HydrophobicContact CB-CG2 4.15Å; F568-I619 HydrophobicContact CD1-CG2 3.68Å; F568-I619 HydrophobicContact CD2-CD1 3.84Å; F568-I619 HydrophobicContact CD2-CG1 4.12Å; F568-I619 HydrophobicContact CE1-CG2 4.2Å; F568-I619 HydrophobicContact CE2-CD1 3.79Å; F568-I619 HydrophobicContact CG-CD1 4.26Å; F568-I619 HydrophobicContact CG-CG1 4.19Å; F568-I619 HydrophobicContact CG-CG2 3.89Å; F568-I619 HydrophobicContact CZ-CD1 4.17Å; M571-I619 HydrophobicContact SD-CG2 3.69Å; I612-I619 HydrophobicContact CG2-CD1 4.47Å; E615-I619 HydrophobicContact CB-CD1 4.11Å; E615-I619 HydrophobicContact CB-CG1 4.39Å; E615-I619 WeakPolarHBondContact O-CG1 3.46Å; E615-I619 PolarHBondContact O-N 3.15Å; I616-I619 PolarHBondContact O-N 3.02Å; I619-F631 HydrophobicContact CB-CE2 4.48Å; I619-F631 HydrophobicContact CB-CZ 4.35Å; I619-F631 HydrophobicContact CD1-CZ 4.29Å; I619-F631 HydrophobicContact CG2-CD2 4.26Å; I619-F631 HydrophobicContact CG2-CE2 3.48Å; I619-F631 VanDerWaalsContact CG2-CE2 3.48Å; I619-F631 HydrophobicContact CG2-CZ 3.82Å |
| 620 | I | 96.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -0.9 | -171.6 | 76.6 | -179.3 | 0 | 0 | 0 | 114.4 | I616 I618 D622 L623 V628 F631 Y632 L658 | I616-I620 HydrophobicContact CG2-CD1 3.82Å; I616-I620 HydrophobicContact CG2-CG1 4.4Å; I616-I620 HydrophobicContact CG2-CG2 4.33Å; I616-I620 WeakPolarHBondContact O-CG1 3.27Å; I616-I620 PolarHBondContact O-N 3.36Å; I616-I620 VanDerWaalsContact O-N 3.07Å; I618-I620 VanDerWaalsContact C-N 3.35Å; I618-I620 PolarHBondContact O-N 3.29Å; I620-D622 VanDerWaalsContact C-N 3.26Å; I620-D622 PolarHBondContact O-N 3.33Å; I620-D622 VanDerWaalsContact O-N 3.14Å; I620-L623 HydrophobicContact CB-CD1 4.18Å; I620-L623 HydrophobicContact CG2-CD1 4.23Å; I620-L623 WeakPolarHBondContact O-CB 3.46Å; I620-L623 PolarHBondContact O-N 3.03Å; I620-L623 VanDerWaalsContact O-N 3.07Å; I620-V628 HydrophobicContact CB-CG2 4.35Å; I620-V628 HydrophobicContact CD1-CG1 4.11Å; I620-F631 HydrophobicContact CG2-CD1 3.58Å; I620-F631 HydrophobicContact CG2-CD2 4.33Å; I620-F631 HydrophobicContact CG2-CE1 3.75Å; I620-F631 HydrophobicContact CG2-CE2 4.48Å; I620-F631 HydrophobicContact CG2-CG 3.89Å; I620-F631 HydrophobicContact CG2-CZ 4.2Å; I620-Y632 HydrophobicContact CD1-CE2 3.99Å; I620-L658 HydrophobicContact CD1-CD2 4.2Å |
| 621 | N | 95 | Very high | 95.7 | Very high | 121 Ų | 121 | 48.4 Ų | 48.4 | 65% | 0.647 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.4 | -166.8 | -177.2 | 68.6 | 0 | 0 | 0 | 114.6 | I618 | I618-N621 PolarHBondContact O-N 2.96Š|
| 622 | D | 96.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 46 Ų | 46 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.6 | -176.8 | -57.6 | -24.1 | 0 | 0 | 0 | 112.8 | H572 Q579 I620 | H572-D622 IonicContact CE1-OD2 3.69Å; H572-D622 IonicContact CG-OD2 2.74Å; H572-D622 IonicContact ND1-OD2 3.83Å; H572-D622 PolarHBondContact ND1-OD2 3.28Å; Q579-D622 PolarHBondContact NE2-O 3.27Å; I620-D622 VanDerWaalsContact C-N 3.26Å; I620-D622 PolarHBondContact O-N 3.33Å; I620-D622 VanDerWaalsContact O-N 3.14Å |
| 623 | L | 95.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | trans | -81.9 | 142.2 | -178.5 | -67.8 | -175.7 | 0 | 0 | 0 | 111.8 | M571 Q579 I620 Q627 V628 | M571-L623 HydrophobicContact CB-CD1 4.31Å; M571-L623 HydrophobicContact CB-CD2 3.7Å; M571-L623 HydrophobicContact CB-CG 4.16Å; M571-L623 HydrophobicContact CG-CD1 4.21Å; M571-L623 HydrophobicContact CG-CD2 3.98Å; M571-L623 WeakPolarHBondContact O-CD2 3.39Å; M571-L623 HydrophobicContact SD-CD1 4.08Å; Q579-L623 HydrophobicContact CB-CD2 4.05Å; Q579-L623 HydrophobicContact CG-CD2 4.36Å; I620-L623 HydrophobicContact CB-CD1 4.18Å; I620-L623 HydrophobicContact CG2-CD1 4.23Å; I620-L623 WeakPolarHBondContact O-CB 3.46Å; I620-L623 PolarHBondContact O-N 3.03Å; I620-L623 VanDerWaalsContact O-N 3.07Å; L623-Q627 HydrophobicContact CB-CB 3.97Å; L623-Q627 HydrophobicContact CD1-CB 4.28Å; L623-Q627 HydrophobicContact CD2-CB 3.99Å; L623-Q627 HydrophobicContact CG-CB 4.32Å; L623-V628 HydrophobicContact CB-CG2 3.78Å | ||
| 624 | Q | 92.4 | Very high | 95.9 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | trans | -70.8 | 156.1 | 170 | -62 | -59.5 | -36.8 | 0 | 0 | 111 | Q626 Q627 V628 | Q624-Q626 VanDerWaalsContact C-N 3.26Å; Q624-Q626 PolarHBondContact O-N 3.46Å; Q624-Q627 WeakPolarHBondContact O-CA 3.36Å; Q624-Q627 WeakPolarHBondContact O-CB 3.4Å; Q624-Q627 PolarHBondContact O-N 2.9Å; Q624-V628 PolarHBondContact O-N 2.95Å | ||
| 625 | P | 92.5 | Very high | 96 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 34% | 0.338 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.8 | -40.6 | -175.7 | -30.2 | 35.4 | 0 | 0 | 0 | 114.7 | Q627 V628 H629 | P625-Q627 PolarHBondContact O-N 3.49Å; P625-V628 WeakPolarHBondContact O-CB 3.38Å; P625-V628 PolarHBondContact O-N 3.44Å; P625-H629 PolarHBondContact O-CD2 2.97Å; P625-H629 PolarHBondContact O-CE1 3.25Å; P625-H629 PolarHBondContact O-N 3.42Å; P625-H629 PolarHBondContact O-ND1 2.68Å; P625-H629 PolarHBondContact O-NE2 2.97Å |
| 626 | Q | 91.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -38.5 | 178.2 | -67.2 | 176.5 | 14.7 | 0 | 0 | 113.4 | V438 Q624 V628 H629 T630 | V438-Q626 PolarHBondContact O-NE2 2.89Å; Q624-Q626 VanDerWaalsContact C-N 3.26Å; Q624-Q626 PolarHBondContact O-N 3.46Å; Q626-V628 VanDerWaalsContact C-N 3.35Å; Q626-H629 WeakPolarHBondContact O-CB 3.25Å; Q626-H629 PolarHBondContact O-N 3.12Å; Q626-T630 PolarHBondContact O-N 2.68Å; Q626-T630 PolarHBondContact O-OG1 2.88Å |
| 627 | Q | 94.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 175.9 | -66.6 | 163.2 | -14.6 | 0 | 0 | 110.4 | Q579 D580 L623 Q624 P625 H629 T630 F631 | Q579-Q627 VanDerWaalsContact CB-NE2 3.34Å; D580-Q627 VanDerWaalsContact OD1-CG 3.31Å; D580-Q627 WeakPolarHBondContact OD1-CG 3.41Å; D580-Q627 PolarHBondContact OD1-NE2 2.8Å; L623-Q627 HydrophobicContact CB-CB 3.97Å; L623-Q627 HydrophobicContact CD1-CB 4.28Å; L623-Q627 HydrophobicContact CD2-CB 3.99Å; L623-Q627 HydrophobicContact CG-CB 4.32Å; Q624-Q627 WeakPolarHBondContact O-CA 3.36Å; Q624-Q627 WeakPolarHBondContact O-CB 3.4Å; Q624-Q627 PolarHBondContact O-N 2.9Å; P625-Q627 PolarHBondContact O-N 3.49Å; Q627-H629 VanDerWaalsContact C-N 3.34Å; Q627-H629 PolarHBondContact O-N 3.03Å; Q627-T630 PolarHBondContact O-N 3.45Å; Q627-F631 WeakPolarHBondContact O-CB 3.26Å; Q627-F631 PolarHBondContact O-N 3.24Å |
| 628 | V | 96.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 170.8 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | I620 L623 Q624 P625 Q626 T630 F631 Y632 | I620-V628 HydrophobicContact CB-CG2 4.35Å; I620-V628 HydrophobicContact CD1-CG1 4.11Å; L623-V628 HydrophobicContact CB-CG2 3.78Å; Q624-V628 PolarHBondContact O-N 2.95Å; P625-V628 WeakPolarHBondContact O-CB 3.38Å; P625-V628 PolarHBondContact O-N 3.44Å; Q626-V628 VanDerWaalsContact C-N 3.35Å; V628-T630 PolarHBondContact O-N 2.85Å; V628-F631 WeakPolarHBondContact O-CB 3.38Å; V628-F631 PolarHBondContact O-N 3.41Å; V628-Y632 HydrophobicContact CG1-CD2 3.69Å; V628-Y632 HydrophobicContact CG1-CE2 3.73Å; V628-Y632 WeakPolarHBondContact O-CD2 3.49Å; V628-Y632 PolarHBondContact O-N 3.01Å |
| 629 | H | 96 | Very high | 96.3 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.083 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 176.6 | -55.3 | 156 | 0 | 0 | 0 | 112 | P625 Q626 Q627 F631 Y632 E633 N688 K691 T692 S695 | P625-H629 PolarHBondContact O-CD2 2.97Å; P625-H629 PolarHBondContact O-CE1 3.25Å; P625-H629 PolarHBondContact O-N 3.42Å; P625-H629 PolarHBondContact O-ND1 2.68Å; P625-H629 PolarHBondContact O-NE2 2.97Å; Q626-H629 WeakPolarHBondContact O-CB 3.25Å; Q626-H629 PolarHBondContact O-N 3.12Å; Q627-H629 VanDerWaalsContact C-N 3.34Å; Q627-H629 PolarHBondContact O-N 3.03Å; H629-F631 VanDerWaalsContact C-N 3.34Å; H629-F631 PolarHBondContact O-N 2.98Å; H629-Y632 PolarHBondContact O-N 2.74Å; H629-E633 PolarHBondContact O-N 3.43Å; H629-N688 PolarHBondContact NE2-O 3.41Å; H629-K691 WeakPolarHBondContact CE1-CB 3.31Å; H629-T692 PolarHBondContact CD2-OG1 3.33Å; H629-T692 VanDerWaalsContact CD2-OG1 3.24Å; H629-S695 VanDerWaalsContact O-CB 3.29Å; H629-S695 WeakPolarHBondContact O-CB 3.4Å |
| 630 | T | 95.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 29.9 Ų | 29.9 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.9 | -59 | 0 | 0 | 0 | 0 | 112 | C583 I587 Q626 Q627 V628 E633 A634 | C583-T630 HydrophobicContact CB-CG2 4.06Å; I587-T630 HydrophobicContact CB-CG2 4.15Å; I587-T630 HydrophobicContact CD1-CG2 4.23Å; I587-T630 HydrophobicContact CG2-CG2 3.93Å; Q626-T630 PolarHBondContact O-N 2.68Å; Q626-T630 PolarHBondContact O-OG1 2.88Å; Q627-T630 PolarHBondContact O-N 3.45Å; V628-T630 PolarHBondContact O-N 2.85Å; T630-E633 PolarHBondContact O-N 3.08Å; T630-A634 PolarHBondContact O-N 3.01Å |
| 631 | F | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.7 | -178.7 | -89.8 | 0 | 0 | 0 | 111.6 | F568 M571 F586 I612 I616 I619 I620 Q627 V628 H629 E633 A634 V635 | F568-F631 HydrophobicContact CD1-CE2 4.35Å; F568-F631 AromaticContact CE1-CE2 3.8Å; F568-F631 HydrophobicContact CE1-CE2 3.8Å; F568-F631 HydrophobicContact CZ-CE2 4.43Å; M571-F631 HydrophobicContact CE-CD2 3.97Å; M571-F631 HydrophobicContact CE-CE2 4.42Å; M571-F631 HydrophobicContact SD-CD2 4.01Å; M571-F631 HydrophobicContact SD-CE2 4.26Å; F586-F631 AromaticContact CD1-CD2 3.81Å; F586-F631 HydrophobicContact CD1-CD2 3.81Å; F586-F631 HydrophobicContact CD1-CE2 4.1Å; F586-F631 AromaticContact CE1-CD2 3.63Å; F586-F631 HydrophobicContact CE1-CD2 3.63Å; F586-F631 AromaticContact CE1-CE2 3.56Å; F586-F631 HydrophobicContact CE1-CE2 3.56Å; F586-F631 HydrophobicContact CE1-CG 4.44Å; F586-F631 HydrophobicContact CE1-CZ 4.34Å; F586-F631 HydrophobicContact CZ-CE2 4.25Å; I612-F631 HydrophobicContact CG2-CZ 4.09Å; I616-F631 HydrophobicContact CG1-CE1 4.42Å; I616-F631 HydrophobicContact CG2-CE1 4.4Å; I619-F631 HydrophobicContact CB-CE2 4.48Å; I619-F631 HydrophobicContact CB-CZ 4.35Å; I619-F631 HydrophobicContact CD1-CZ 4.29Å; I619-F631 HydrophobicContact CG2-CD2 4.26Å; I619-F631 HydrophobicContact CG2-CE2 3.48Å; I619-F631 VanDerWaalsContact CG2-CE2 3.48Å; I619-F631 HydrophobicContact CG2-CZ 3.82Å; I620-F631 HydrophobicContact CG2-CD1 3.58Å; I620-F631 HydrophobicContact CG2-CD2 4.33Å; I620-F631 HydrophobicContact CG2-CE1 3.75Å; I620-F631 HydrophobicContact CG2-CE2 4.48Å; I620-F631 HydrophobicContact CG2-CG 3.89Å; I620-F631 HydrophobicContact CG2-CZ 4.2Å; Q627-F631 WeakPolarHBondContact O-CB 3.26Å; Q627-F631 PolarHBondContact O-N 3.24Å; V628-F631 WeakPolarHBondContact O-CB 3.38Å; V628-F631 PolarHBondContact O-N 3.41Å; H629-F631 VanDerWaalsContact C-N 3.34Å; H629-F631 PolarHBondContact O-N 2.98Å; F631-E633 VanDerWaalsContact C-N 3.33Å; F631-E633 PolarHBondContact O-N 3.14Å; F631-A634 WeakPolarHBondContact O-CB 3.33Å; F631-A634 PolarHBondContact O-N 3.03Å; F631-A634 VanDerWaalsContact O-N 3.13Å; F631-V635 HydrophobicContact CD1-CG2 4.03Å; F631-V635 HydrophobicContact CE1-CG2 3.61Å; F631-V635 HydrophobicContact CE2-CG2 4.45Å; F631-V635 HydrophobicContact CZ-CG2 3.85Å; F631-V635 WeakPolarHBondContact O-CG2 3.44Å; F631-V635 PolarHBondContact O-N 2.85Å |
| 632 | Y | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 178.1 | -90.8 | -96.5 | 0 | 0 | 0 | 112.8 | I620 V628 H629 G636 L655 P659 T692 | I620-Y632 HydrophobicContact CD1-CE2 3.99Å; V628-Y632 HydrophobicContact CG1-CD2 3.69Å; V628-Y632 HydrophobicContact CG1-CE2 3.73Å; V628-Y632 WeakPolarHBondContact O-CD2 3.49Å; V628-Y632 PolarHBondContact O-N 3.01Å; H629-Y632 PolarHBondContact O-N 2.74Å; Y632-G636 PolarHBondContact O-N 3.33Å; Y632-L655 HydrophobicContact CD1-CD1 3.64Å; Y632-L655 HydrophobicContact CD1-CD2 4.34Å; Y632-L655 HydrophobicContact CD1-CG 3.88Å; Y632-L655 HydrophobicContact CE1-CD1 3.67Å; Y632-L655 HydrophobicContact CE1-CG 3.92Å; Y632-L655 WeakPolarHBondContact CE1-O 3.15Å; Y632-P659 HydrophobicContact CE1-CG 3.86Å; Y632-P659 VanDerWaalsContact OH-CD 3.3Å; Y632-P659 WeakPolarHBondContact OH-CD 3.2Å; Y632-P659 WeakPolarHBondContact OH-CG 3.44Å; Y632-T692 HydrophobicContact CD1-CG2 3.56Å; Y632-T692 HydrophobicContact CD2-CG2 3.6Å; Y632-T692 HydrophobicContact CE1-CG2 3.94Å; Y632-T692 HydrophobicContact CE2-CG2 3.97Å; Y632-T692 HydrophobicContact CG-CG2 3.38Å |
| 633 | E | 98.2 | Very high | 96.2 | Very high | 41 Ų | 41 | 30 Ų | 30 | 19% | 0.192 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 171.1 | -171.1 | 168.6 | 163 | 0 | 0 | 111.2 | I587 H629 T630 F631 V635 G636 V637 S695 S699 | I587-E633 HydrophobicContact CD1-CB 3.99Å; I587-E633 HydrophobicContact CD1-CG 3.77Å; H629-E633 PolarHBondContact O-N 3.43Å; T630-E633 PolarHBondContact O-N 3.08Å; F631-E633 VanDerWaalsContact C-N 3.33Å; F631-E633 PolarHBondContact O-N 3.14Å; E633-V635 PolarHBondContact O-N 3.32Å; E633-G636 PolarHBondContact O-N 3.31Å; E633-V637 WeakPolarHBondContact O-CG2 3.28Å; E633-V637 PolarHBondContact O-N 2.95Å; E633-S695 WeakPolarHBondContact CG-O 3.32Å; E633-S699 WeakPolarHBondContact O-CB 3.3Å; E633-S699 PolarHBondContact O-OG 3.3Å |
| 634 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F586 I587 A590 T630 F631 G636 V637 I638 | F586-A634 HydrophobicContact CD1-CB 3.57Å; F586-A634 HydrophobicContact CE1-CB 3.59Å; F586-A634 HydrophobicContact CG-CB 4.43Å; F586-A634 HydrophobicContact CZ-CB 4.46Å; I587-A634 HydrophobicContact CB-CB 3.8Å; I587-A634 HydrophobicContact CG1-CB 3.98Å; A590-A634 HydrophobicContact CB-CB 4.04Å; A590-A634 WeakPolarHBondContact CB-O 3.49Å; T630-A634 PolarHBondContact O-N 3.01Å; F631-A634 WeakPolarHBondContact O-CB 3.33Å; F631-A634 PolarHBondContact O-N 3.03Å; F631-A634 VanDerWaalsContact O-N 3.13Å; A634-G636 VanDerWaalsContact C-N 3.34Å; A634-G636 PolarHBondContact O-N 2.76Å; A634-V637 WeakPolarHBondContact O-CB 3.42Å; A634-V637 PolarHBondContact O-N 2.7Å; A634-I638 WeakPolarHBondContact O-CG1 3.46Å; A634-I638 PolarHBondContact O-N 3Å |
| 635 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 178.4 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | F586 I609 I612 L613 F631 E633 V637 I638 I639 L655 | F586-V635 HydrophobicContact CE1-CG2 4.12Å; F586-V635 HydrophobicContact CZ-CG2 4.36Å; I609-V635 HydrophobicContact CD1-CG1 3.69Å; I612-V635 HydrophobicContact CG2-CG2 4.06Å; L613-V635 HydrophobicContact CD2-CG1 4.09Å; F631-V635 HydrophobicContact CD1-CG2 4.03Å; F631-V635 HydrophobicContact CE1-CG2 3.61Å; F631-V635 HydrophobicContact CE2-CG2 4.45Å; F631-V635 HydrophobicContact CZ-CG2 3.85Å; F631-V635 WeakPolarHBondContact O-CG2 3.44Å; F631-V635 PolarHBondContact O-N 2.85Å; E633-V635 PolarHBondContact O-N 3.32Å; V635-V637 VanDerWaalsContact C-N 3.31Å; V635-V637 PolarHBondContact O-N 3.46Å; V635-I638 WeakPolarHBondContact O-CB 3.43Å; V635-I638 PolarHBondContact O-N 3Å; V635-I638 VanDerWaalsContact O-N 3.11Å; V635-I639 HydrophobicContact CG1-CD1 4.04Å; V635-I639 HydrophobicContact CG1-CG1 4.48Å; V635-I639 WeakPolarHBondContact O-CG1 3.32Å; V635-I639 PolarHBondContact O-N 3.22Å; V635-L655 HydrophobicContact CB-CD1 3.94Å; V635-L655 HydrophobicContact CG1-CD1 3.64Å |
| 636 | G | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y632 E633 A634 I638 I639 S640 S699 L700 | Y632-G636 PolarHBondContact O-N 3.33Å; E633-G636 PolarHBondContact O-N 3.31Å; A634-G636 VanDerWaalsContact C-N 3.34Å; A634-G636 PolarHBondContact O-N 2.76Å; G636-I638 VanDerWaalsContact C-N 3.3Å; G636-I638 PolarHBondContact O-N 3.44Å; G636-I639 PolarHBondContact O-N 3.38Å; G636-S640 WeakPolarHBondContact O-CB 3.41Å; G636-S640 PolarHBondContact O-N 3.18Å; G636-S699 VanDerWaalsContact C-OG 3.27Å; G636-S699 WeakPolarHBondContact CA-OG 3.24Å; G636-L700 WeakPolarHBondContact O-CD2 3.14Å |
| 637 | V | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.085 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -34.1 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | Q591 R594 E633 A634 V635 S640 S699 | Q591-V637 HydrophobicContact CB-CG1 4.39Å; Q591-V637 HydrophobicContact CG-CG1 3.99Å; Q591-V637 HydrophobicContact CG-CG2 4.24Å; R594-V637 WeakPolarHBondContact CD-O 3.33Å; E633-V637 WeakPolarHBondContact O-CG2 3.28Å; E633-V637 PolarHBondContact O-N 2.95Å; A634-V637 WeakPolarHBondContact O-CB 3.42Å; A634-V637 PolarHBondContact O-N 2.7Å; V635-V637 VanDerWaalsContact C-N 3.31Å; V635-V637 PolarHBondContact O-N 3.46Å; V637-S640 PolarHBondContact O-OG 3.46Å; V637-S699 VanDerWaalsContact CG2-CB 3.42Å; V637-S699 PolarHBondContact N-OG 3.11Å |
| 638 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -53.4 | 175.9 | -62 | 167.6 | 0 | 0 | 0 | 109.3 | F586 A590 L597 V598 I609 I612 A634 V635 G636 S640 A641 | F586-I638 HydrophobicContact CZ-CD1 4.11Å; A590-I638 HydrophobicContact CB-CD1 4.11Å; A590-I638 HydrophobicContact CB-CG1 3.83Å; L597-I638 HydrophobicContact CB-CG1 4.48Å; L597-I638 HydrophobicContact CB-CG2 3.61Å; L597-I638 HydrophobicContact CD1-CD1 3.6Å; L597-I638 HydrophobicContact CD1-CG1 3.72Å; L597-I638 HydrophobicContact CD1-CG2 4.44Å; V598-I638 HydrophobicContact CG1-CG2 3.59Å; V598-I638 WeakPolarHBondContact CG1-O 3.41Å; I609-I638 HydrophobicContact CB-CG2 4.08Å; I609-I638 HydrophobicContact CD1-CB 4.26Å; I609-I638 HydrophobicContact CD1-CG2 3.86Å; I609-I638 HydrophobicContact CG1-CG2 4.09Å; I612-I638 HydrophobicContact CD1-CD1 4.38Å; A634-I638 WeakPolarHBondContact O-CG1 3.46Å; A634-I638 PolarHBondContact O-N 3Å; V635-I638 WeakPolarHBondContact O-CB 3.43Å; V635-I638 PolarHBondContact O-N 3Å; V635-I638 VanDerWaalsContact O-N 3.11Å; G636-I638 VanDerWaalsContact C-N 3.3Å; G636-I638 PolarHBondContact O-N 3.44Å; I638-S640 VanDerWaalsContact C-N 3.26Å; I638-S640 PolarHBondContact O-N 2.86Å; I638-A641 WeakPolarHBondContact O-CB 3.41Å; I638-A641 PolarHBondContact O-N 3.13Å |
| 639 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | -178.7 | -66.4 | 168.8 | 0 | 0 | 0 | 111.3 | I609 L613 V635 G636 A641 Q642 E648 Q651 I652 L655 L700 | I609-I639 HydrophobicContact CD1-CG1 4.06Å; I609-I639 HydrophobicContact CG1-CG1 4.13Å; L613-I639 HydrophobicContact CD2-CD1 4.32Å; V635-I639 HydrophobicContact CG1-CD1 4.04Å; V635-I639 HydrophobicContact CG1-CG1 4.48Å; V635-I639 WeakPolarHBondContact O-CG1 3.32Å; V635-I639 PolarHBondContact O-N 3.22Å; G636-I639 PolarHBondContact O-N 3.38Å; I639-A641 PolarHBondContact O-N 2.63Å; I639-Q642 VanDerWaalsContact O-CB 3.23Å; I639-Q642 WeakPolarHBondContact O-CB 3.49Å; I639-Q642 PolarHBondContact O-N 2.76Å; I639-E648 HydrophobicContact CG2-CG 3.78Å; I639-Q651 HydrophobicContact CD1-CB 4.11Å; I639-Q651 HydrophobicContact CG1-CB 4.08Å; I639-Q651 HydrophobicContact CG2-CB 4.06Å; I639-I652 HydrophobicContact CG2-CG1 3.87Å; I639-L655 HydrophobicContact CD1-CB 4.08Å; I639-L655 HydrophobicContact CD1-CD2 4Å; I639-L700 HydrophobicContact CB-CD2 3.92Å; I639-L700 HydrophobicContact CG2-CD2 3.76Å |
| 640 | S | 96.5 | Very high | 96.9 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.1 | 177.6 | 97.8 | 0 | 0 | 0 | 0 | 114.2 | R594 G636 V637 I638 | R594-S640 PolarHBondContact NH1-OG 2.94Å; G636-S640 WeakPolarHBondContact O-CB 3.41Å; G636-S640 PolarHBondContact O-N 3.18Å; V637-S640 PolarHBondContact O-OG 3.46Å; I638-S640 VanDerWaalsContact C-N 3.26Å; I638-S640 PolarHBondContact O-N 2.86Å |
| 641 | A | 96.4 | Very high | 97 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -7.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R594 V598 I638 I639 | R594-A641 HydrophobicContact CB-CB 3.81Å; R594-A641 HydrophobicContact CG-CB 3.75Å; V598-A641 HydrophobicContact CG2-CB 3.95Å; I638-A641 WeakPolarHBondContact O-CB 3.41Å; I638-A641 PolarHBondContact O-N 3.13Å; I639-A641 PolarHBondContact O-N 2.63Å |
| 642 | Q | 96.4 | Very high | 97 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -65.3 | 133.8 | 175 | -177.5 | 54.3 | -90.5 | 0 | 0 | 109.7 | I639 D644 V647 E648 | I639-Q642 VanDerWaalsContact O-CB 3.23Å; I639-Q642 WeakPolarHBondContact O-CB 3.49Å; I639-Q642 PolarHBondContact O-N 2.76Å; Q642-D644 WeakPolarHBondContact CG-O 3.23Å; Q642-V647 HydrophobicContact CG-CB 4.08Å; Q642-V647 HydrophobicContact CG-CG1 4.11Å; Q642-E648 HydrophobicContact CB-CB 4.08Å; Q642-E648 HydrophobicContact CB-CG 4.35Å; Q642-E648 HydrophobicContact CG-CB 3.97Å | ||
| 643 | L | 93.4 | Very high | 97 | Very high | 166 Ų | 166 | 42.9 Ų | 42.9 | 87% | 0.869 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -92.8 | -25.9 | -177.5 | -61.8 | 177.5 | 0 | 0 | 0 | 112.3 | ||
| 644 | D | 95.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | trans | -88.3 | 109.5 | 175.8 | -175.3 | -25.4 | 0 | 0 | 0 | 110.3 | Q642 A646 V647 E648 | Q642-D644 WeakPolarHBondContact CG-O 3.23Å; D644-A646 PolarHBondContact O-N 3.41Å; D644-A646 WeakPolarHBondContact OD1-CB 3.49Å; D644-A646 PolarHBondContact OD1-N 3.32Å; D644-V647 HydrophobicContact CB-CB 4.07Å; D644-V647 HydrophobicContact CB-CG2 3.9Å; D644-V647 PolarHBondContact O-N 3.03Å; D644-V647 VanDerWaalsContact O-N 3.1Å; D644-V647 PolarHBondContact OD1-N 3.1Å; D644-E648 WeakPolarHBondContact O-CB 3.5Å; D644-E648 PolarHBondContact O-N 2.94Å | ||
| 645 | S | 93.7 | Very high | 96.9 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.3 | -28.9 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | A649 | S645-A649 WeakPolarHBondContact O-CB 3.41Å; S645-A649 PolarHBondContact O-N 3.06Å |
| 646 | A | 96.5 | Very high | 96.9 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.6 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D644 R650 | D644-A646 PolarHBondContact O-N 3.41Å; D644-A646 WeakPolarHBondContact OD1-CB 3.49Å; D644-A646 PolarHBondContact OD1-N 3.32Å; A646-R650 PolarHBondContact O-N 3.46Å |
| 647 | V | 96.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.4 | -43.4 | 173.6 | 180 | 0 | 0 | 0 | 0 | 110.2 | Q642 D644 A649 R650 Q651 | Q642-V647 HydrophobicContact CG-CB 4.08Å; Q642-V647 HydrophobicContact CG-CG1 4.11Å; D644-V647 HydrophobicContact CB-CB 4.07Å; D644-V647 HydrophobicContact CB-CG2 3.9Å; D644-V647 PolarHBondContact O-N 3.03Å; D644-V647 VanDerWaalsContact O-N 3.1Å; D644-V647 PolarHBondContact OD1-N 3.1Å; V647-A649 PolarHBondContact O-N 3.38Å; V647-R650 PolarHBondContact O-N 3.48Å; V647-Q651 HydrophobicContact CG1-CG 4.36Å; V647-Q651 WeakPolarHBondContact O-CG 3.27Å; V647-Q651 PolarHBondContact O-N 3.25Å |
| 648 | E | 96.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.6 | -50 | 175.8 | -170.1 | -172.2 | -162.1 | 0 | 0 | 110.8 | I639 Q642 D644 R650 Q651 I652 S703 | I639-E648 HydrophobicContact CG2-CG 3.78Å; Q642-E648 HydrophobicContact CB-CB 4.08Å; Q642-E648 HydrophobicContact CB-CG 4.35Å; Q642-E648 HydrophobicContact CG-CB 3.97Å; D644-E648 WeakPolarHBondContact O-CB 3.5Å; D644-E648 PolarHBondContact O-N 2.94Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 3.19Å; E648-Q651 PolarHBondContact O-N 3.19Å; E648-Q651 VanDerWaalsContact O-N 3.12Å; E648-I652 HydrophobicContact CG-CD1 4.18Å; E648-I652 WeakPolarHBondContact O-CG1 3.49Å; E648-I652 PolarHBondContact O-N 3.33Å; E648-S703 VanDerWaalsContact CD-OG 3.23Å; E648-S703 VanDerWaalsContact OE1-CB 3.22Å; E648-S703 WeakPolarHBondContact OE1-CB 3.42Å; E648-S703 PolarHBondContact OE1-OG 3.22Å; E648-S703 PolarHBondContact OE2-OG 3.43Å |
| 649 | A | 97 | Very high | 96.7 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S645 V647 Q651 I652 E653 V706 | S645-A649 WeakPolarHBondContact O-CB 3.41Å; S645-A649 PolarHBondContact O-N 3.06Å; V647-A649 PolarHBondContact O-N 3.38Å; A649-Q651 PolarHBondContact O-N 3Å; A649-I652 PolarHBondContact O-N 3.22Å; A649-E653 WeakPolarHBondContact O-CG 2.87Å; A649-E653 PolarHBondContact O-N 2.81Å; A649-V706 HydrophobicContact CB-CG1 4.43Å; A649-V706 HydrophobicContact CB-CG2 3.94Å |
| 650 | R | 97.4 | Very high | 96.7 | Very high | 164 Ų | 164 | 52.4 Ų | 52.4 | 62% | 0.619 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 176.6 | -171.3 | -174 | -60 | 170.9 | 4 | 112.4 | A646 V647 E648 E653 R654 | A646-R650 PolarHBondContact O-N 3.46Å; V647-R650 PolarHBondContact O-N 3.48Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 3.19Å; R650-E653 PolarHBondContact O-N 3.1Å; R650-R654 WeakPolarHBondContact O-CG 3.49Å; R650-R654 PolarHBondContact O-N 3.45Å; R650-R654 VanDerWaalsContact O-N 3.09Å |
| 651 | Q | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 176.5 | -73.5 | 177.2 | -14.7 | 0 | 0 | 111.1 | E607 E610 L613 I639 V647 E648 A649 R654 L655 | E607-Q651 PolarHBondContact OE2-NE2 3.09Å; E610-Q651 WeakPolarHBondContact OE1-CG 3.47Å; E610-Q651 PolarHBondContact OE1-NE2 3.13Å; L613-Q651 HydrophobicContact CD1-CB 3.92Å; L613-Q651 HydrophobicContact CD1-CG 3.91Å; I639-Q651 HydrophobicContact CD1-CB 4.11Å; I639-Q651 HydrophobicContact CG1-CB 4.08Å; I639-Q651 HydrophobicContact CG2-CB 4.06Å; V647-Q651 HydrophobicContact CG1-CG 4.36Å; V647-Q651 WeakPolarHBondContact O-CG 3.27Å; V647-Q651 PolarHBondContact O-N 3.25Å; E648-Q651 PolarHBondContact O-N 3.19Å; E648-Q651 VanDerWaalsContact O-N 3.12Å; A649-Q651 PolarHBondContact O-N 3Å; Q651-R654 PolarHBondContact O-N 3.04Å; Q651-L655 WeakPolarHBondContact O-CB 3.28Å; Q651-L655 PolarHBondContact O-N 3.43Å |
| 652 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.8 | -66.6 | 172.2 | 0 | 0 | 0 | 110.8 | I639 E648 A649 R654 L655 F656 L700 S703 V706 Q707 | I639-I652 HydrophobicContact CG2-CG1 3.87Å; E648-I652 HydrophobicContact CG-CD1 4.18Å; E648-I652 WeakPolarHBondContact O-CG1 3.49Å; E648-I652 PolarHBondContact O-N 3.33Å; A649-I652 PolarHBondContact O-N 3.22Å; I652-R654 VanDerWaalsContact C-N 3.26Å; I652-R654 PolarHBondContact O-N 3.24Å; I652-L655 WeakPolarHBondContact O-CB 3.32Å; I652-L655 PolarHBondContact O-N 3.39Å; I652-F656 HydrophobicContact CG2-CD2 3.91Å; I652-F656 HydrophobicContact CG2-CE2 4.1Å; I652-F656 WeakPolarHBondContact O-CD2 3.2Å; I652-F656 PolarHBondContact O-N 3.01Å; I652-F656 VanDerWaalsContact O-N 3.1Å; I652-L700 HydrophobicContact CD1-CD1 4.35Å; I652-L700 HydrophobicContact CD1-CD2 4.06Å; I652-L700 HydrophobicContact CG1-CD1 4.16Å; I652-L700 HydrophobicContact CG1-CD2 3.95Å; I652-S703 VanDerWaalsContact CD1-O 3.31Å; I652-S703 WeakPolarHBondContact CD1-O 3.43Å; I652-V706 HydrophobicContact CG2-CB 4.25Å; I652-V706 HydrophobicContact CG2-CG1 4.37Å; I652-Q707 HydrophobicContact CG2-CB 4.04Å |
| 653 | E | 97.5 | Very high | 96.7 | Very high | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57 | -40.2 | 176.9 | -73.8 | 176.7 | 179.7 | 0 | 0 | 112.3 | A649 R650 R657 V706 | A649-E653 WeakPolarHBondContact O-CG 2.87Å; A649-E653 PolarHBondContact O-N 2.81Å; R650-E653 PolarHBondContact O-N 3.1Å; E653-R657 PolarHBondContact O-N 3.35Å; E653-V706 HydrophobicContact CG-CG1 4.19Å |
| 654 | R | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 176.7 | -75.8 | -175.3 | 61.7 | -174.3 | -13 | 113 | E610 L613 R650 Q651 I652 F656 R657 | E610-R654 PolarHBondContact O-NH2 2.94Å; E610-R654 VanDerWaalsContact O-NH2 3.12Å; E610-R654 IonicContact OE2-CZ 2.95Å; E610-R654 IonicContact OE2-NH1 2.78Å; E610-R654 PolarHBondContact OE2-NH1 2.91Å; E610-R654 IonicContact OE2-NH2 2.61Å; L613-R654 HydrophobicContact CD1-CB 4.18Å; R650-R654 WeakPolarHBondContact O-CG 3.49Å; R650-R654 PolarHBondContact O-N 3.45Å; R650-R654 VanDerWaalsContact O-N 3.09Å; Q651-R654 PolarHBondContact O-N 3.04Å; I652-R654 VanDerWaalsContact C-N 3.26Å; I652-R654 PolarHBondContact O-N 3.24Å; R654-F656 VanDerWaalsContact C-N 3.26Å; R654-F656 PolarHBondContact O-N 3.25Å; R654-R657 VanDerWaalsContact O-CB 3.26Å; R654-R657 WeakPolarHBondContact O-CB 3.22Å; R654-R657 PolarHBondContact O-N 2.93Å |
| 655 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 175 | 177.8 | 63 | 0 | 0 | 0 | 110.6 | L613 I616 Y632 V635 I639 Q651 I652 R657 A696 | L613-L655 HydrophobicContact CD2-CB 3.95Å; L613-L655 HydrophobicContact CD2-CD1 4.21Å; I616-L655 HydrophobicContact CD1-CD1 3.9Å; Y632-L655 HydrophobicContact CD1-CD1 3.64Å; Y632-L655 HydrophobicContact CD1-CD2 4.34Å; Y632-L655 HydrophobicContact CD1-CG 3.88Å; Y632-L655 HydrophobicContact CE1-CD1 3.67Å; Y632-L655 HydrophobicContact CE1-CG 3.92Å; Y632-L655 WeakPolarHBondContact CE1-O 3.15Å; V635-L655 HydrophobicContact CB-CD1 3.94Å; V635-L655 HydrophobicContact CG1-CD1 3.64Å; I639-L655 HydrophobicContact CD1-CB 4.08Å; I639-L655 HydrophobicContact CD1-CD2 4Å; Q651-L655 WeakPolarHBondContact O-CB 3.28Å; Q651-L655 PolarHBondContact O-N 3.43Å; I652-L655 WeakPolarHBondContact O-CB 3.32Å; I652-L655 PolarHBondContact O-N 3.39Å; L655-R657 VanDerWaalsContact C-N 3.33Å; L655-R657 PolarHBondContact O-N 3.05Å; L655-A696 HydrophobicContact CD2-CB 4.39Å |
| 656 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 6.4 | -177.4 | -71.8 | -77.3 | 0 | 0 | 0 | 114.6 | I652 R654 L658 P659 N660 N693 A696 L700 Y704 Q707 | I652-F656 HydrophobicContact CG2-CD2 3.91Å; I652-F656 HydrophobicContact CG2-CE2 4.1Å; I652-F656 WeakPolarHBondContact O-CD2 3.2Å; I652-F656 PolarHBondContact O-N 3.01Å; I652-F656 VanDerWaalsContact O-N 3.1Å; R654-F656 VanDerWaalsContact C-N 3.26Å; R654-F656 PolarHBondContact O-N 3.25Å; F656-L658 PolarHBondContact O-N 3.43Å; F656-P659 HydrophobicContact CD1-CB 4.33Å; F656-P659 HydrophobicContact CD1-CG 4.33Å; F656-P659 WeakPolarHBondContact O-CD 3.35Å; F656-N660 WeakPolarHBondContact CB-ND2 3.46Å; F656-N660 WeakPolarHBondContact O-CB 3.22Å; F656-N660 PolarHBondContact O-N 2.85Å; F656-N660 PolarHBondContact O-ND2 3.45Å; F656-N693 HydrophobicContact CE1-CB 4.42Å; F656-N693 VanDerWaalsContact CE1-OD1 3.25Å; F656-N693 WeakPolarHBondContact CE1-OD1 3.14Å; F656-A696 HydrophobicContact CE1-CB 4.25Å; F656-A696 HydrophobicContact CE2-CB 4.26Å; F656-A696 HydrophobicContact CZ-CB 3.48Å; F656-A696 VanDerWaalsContact CZ-CB 3.48Å; F656-L700 HydrophobicContact CE2-CD1 4.1Å; F656-Y704 HydrophobicContact CE1-CE2 4.41Å; F656-Y704 HydrophobicContact CE2-CD2 4.26Å; F656-Y704 HydrophobicContact CE2-CE2 4.01Å; F656-Y704 HydrophobicContact CZ-CD2 4.2Å; F656-Y704 AromaticContact CZ-CE2 3.63Å; F656-Y704 HydrophobicContact CZ-CE2 3.63Å; F656-Q707 HydrophobicContact CB-CG 4.46Å; F656-Q707 HydrophobicContact CD1-CG 3.97Å; F656-Q707 HydrophobicContact CD2-CB 3.83Å; F656-Q707 HydrophobicContact CD2-CG 3.62Å; F656-Q707 HydrophobicContact CE1-CG 4.05Å; F656-Q707 HydrophobicContact CE2-CB 3.88Å; F656-Q707 HydrophobicContact CE2-CG 3.71Å; F656-Q707 HydrophobicContact CG-CB 4.41Å; F656-Q707 VanDerWaalsContact CG-CD 3.49Å; F656-Q707 HydrophobicContact CG-CG 3.76Å; F656-Q707 HydrophobicContact CZ-CB 4.5Å; F656-Q707 HydrophobicContact CZ-CG 3.91Å |
| 657 | R | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 42% | 0.415 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -49.8 | -53.8 | 178.2 | 178.3 | -172.6 | 64.2 | 154.6 | 0.6 | 112.2 | D617 E653 R654 L655 Q661 | D617-R657 IonicContact OD1-NH2 2.56Å; D617-R657 PolarHBondContact OD1-NH2 3.44Å; D617-R657 VanDerWaalsContact OD1-NH2 3.14Å; E653-R657 PolarHBondContact O-N 3.35Å; R654-R657 VanDerWaalsContact O-CB 3.26Å; R654-R657 WeakPolarHBondContact O-CB 3.22Å; R654-R657 PolarHBondContact O-N 2.93Å; L655-R657 VanDerWaalsContact C-N 3.33Å; L655-R657 PolarHBondContact O-N 3.05Å; R657-Q661 VanDerWaalsContact O-CG 3.22Å; R657-Q661 WeakPolarHBondContact O-CG 3.33Å; R657-Q661 PolarHBondContact O-N 2.81Å |
| 658 | L | 95.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.6 | -51.3 | -176.6 | 175.1 | 68.2 | 0 | 0 | 0 | 112.2 | I620 F656 N660 Q661 I662 | I620-L658 HydrophobicContact CD1-CD2 4.2Å; F656-L658 PolarHBondContact O-N 3.43Å; L658-N660 VanDerWaalsContact C-N 3.27Å; L658-N660 PolarHBondContact O-N 2.92Å; L658-Q661 PolarHBondContact O-N 3.28Å; L658-I662 HydrophobicContact CD1-CD1 4.28Å; L658-I662 HydrophobicContact CG-CD1 4.4Å; L658-I662 WeakPolarHBondContact O-CG1 3.29Å; L658-I662 PolarHBondContact O-N 3.48Å |
| 659 | P | 96.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.4 | -41.1 | 175.2 | -28.7 | 34.7 | 0 | 0 | 0 | 113.4 | Y632 F656 I662 W663 L689 T692 | Y632-P659 HydrophobicContact CE1-CG 3.86Å; Y632-P659 VanDerWaalsContact OH-CD 3.3Å; Y632-P659 WeakPolarHBondContact OH-CD 3.2Å; Y632-P659 WeakPolarHBondContact OH-CG 3.44Å; F656-P659 HydrophobicContact CD1-CB 4.33Å; F656-P659 HydrophobicContact CD1-CG 4.33Å; F656-P659 WeakPolarHBondContact O-CD 3.35Å; P659-I662 PolarHBondContact O-N 3.44Å; P659-W663 VanDerWaalsContact O-CB 3.31Å; P659-W663 WeakPolarHBondContact O-CB 3.47Å; P659-W663 PolarHBondContact O-N 2.89Å; P659-L689 HydrophobicContact CB-CD2 3.89Å; P659-T692 HydrophobicContact CG-CG2 4.38Å |
| 660 | N | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 179.8 | -71.4 | -22.6 | 0 | 0 | 0 | 112.5 | F656 L658 I662 W663 D664 Q707 R710 | F656-N660 WeakPolarHBondContact CB-ND2 3.46Å; F656-N660 WeakPolarHBondContact O-CB 3.22Å; F656-N660 PolarHBondContact O-N 2.85Å; F656-N660 PolarHBondContact O-ND2 3.45Å; L658-N660 VanDerWaalsContact C-N 3.27Å; L658-N660 PolarHBondContact O-N 2.92Å; N660-I662 VanDerWaalsContact C-N 3.3Å; N660-I662 PolarHBondContact O-N 2.91Å; N660-W663 PolarHBondContact O-N 3.32Å; N660-D664 VanDerWaalsContact O-CB 3.29Å; N660-D664 WeakPolarHBondContact O-CB 3.48Å; N660-D664 PolarHBondContact O-N 3.27Å; N660-Q707 PolarHBondContact ND2-OE1 3.3Å; N660-Q707 PolarHBondContact OD1-NE2 2.92Å; N660-R710 WeakPolarHBondContact ND2-CD 3.25Å; N660-R710 PolarHBondContact ND2-NH1 3.09Å |
| 661 | Q | 96.9 | Very high | 96.3 | Very high | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 173.8 | -79.4 | 171.7 | -8.5 | 0 | 0 | 112 | R657 L658 G665 | R657-Q661 VanDerWaalsContact O-CG 3.22Å; R657-Q661 WeakPolarHBondContact O-CG 3.33Å; R657-Q661 PolarHBondContact O-N 2.81Å; L658-Q661 PolarHBondContact O-N 3.28Å; Q661-G665 PolarHBondContact O-N 3.2Å |
| 662 | I | 96.2 | Very high | 96 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.5 | -46 | 177.3 | -59 | 171.3 | 0 | 0 | 0 | 110.2 | L658 P659 N660 G665 I666 Q685 L689 | L658-I662 HydrophobicContact CD1-CD1 4.28Å; L658-I662 HydrophobicContact CG-CD1 4.4Å; L658-I662 WeakPolarHBondContact O-CG1 3.29Å; L658-I662 PolarHBondContact O-N 3.48Å; P659-I662 PolarHBondContact O-N 3.44Å; N660-I662 VanDerWaalsContact C-N 3.3Å; N660-I662 PolarHBondContact O-N 2.91Å; I662-G665 PolarHBondContact O-N 3.06Å; I662-I666 HydrophobicContact CG2-CD1 4.04Å; I662-I666 WeakPolarHBondContact O-CG1 3.41Å; I662-I666 PolarHBondContact O-N 2.94Å; I662-Q685 HydrophobicContact CG2-CG 4.07Å; I662-L689 HydrophobicContact CB-CD1 4.21Å; I662-L689 HydrophobicContact CB-CD2 4.23Å; I662-L689 HydrophobicContact CD1-CD2 4.45Å; I662-L689 HydrophobicContact CG2-CD1 3.84Å; I662-L689 HydrophobicContact CG2-CD2 4.38Å |
| 663 | W | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.7 | -54.2 | 176.3 | 178.4 | -93.7 | 0 | 0 | 0 | 111.9 | P659 N660 G665 I666 L667 L686 L689 L690 D714 M715 V718 | P659-W663 VanDerWaalsContact O-CB 3.31Å; P659-W663 WeakPolarHBondContact O-CB 3.47Å; P659-W663 PolarHBondContact O-N 2.89Å; N660-W663 PolarHBondContact O-N 3.32Å; W663-G665 VanDerWaalsContact C-N 3.28Å; W663-G665 PolarHBondContact O-N 2.84Å; W663-I666 PolarHBondContact O-N 3.18Å; W663-L667 HydrophobicContact CG-CD1 4.48Å; W663-L667 HydrophobicContact CZ2-CD1 4.35Å; W663-L667 WeakPolarHBondContact O-CG 3.49Å; W663-L667 PolarHBondContact O-N 3.05Å; W663-L686 HydrophobicContact CE3-CD2 3.89Å; W663-L686 HydrophobicContact CZ3-CD2 3.72Å; W663-L689 HydrophobicContact CB-CD1 4.3Å; W663-L689 HydrophobicContact CE3-CD1 4.34Å; W663-L690 HydrophobicContact CH2-CD2 4.41Å; W663-L690 HydrophobicContact CZ3-CD2 4.15Å; W663-L690 HydrophobicContact CZ3-CG 4.29Å; W663-D714 HydrophobicContact CZ2-CB 4Å; W663-M715 HydrophobicContact CH2-CB 4.15Å; W663-M715 HydrophobicContact CZ2-CB 4.18Å; W663-V718 HydrophobicContact CH2-CB 4.48Å; W663-V718 HydrophobicContact CH2-CG2 4.03Å; W663-V718 HydrophobicContact CZ2-CG2 4.37Å |
| 664 | D | 97 | Very high | 95.4 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 179.1 | -63.6 | -18.8 | 0 | 0 | 0 | 110.6 | N660 L667 V668 R710 | N660-D664 VanDerWaalsContact O-CB 3.29Å; N660-D664 WeakPolarHBondContact O-CB 3.48Å; N660-D664 PolarHBondContact O-N 3.27Å; D664-L667 PolarHBondContact O-N 2.92Å; D664-V668 VanDerWaalsContact O-CG2 3.29Å; D664-V668 WeakPolarHBondContact O-CG2 3.39Å; D664-V668 PolarHBondContact O-N 3.36Å; D664-R710 IonicContact OD2-CZ 3.42Å; D664-R710 IonicContact OD2-NH2 2.53Å; D664-R710 PolarHBondContact OD2-NH2 3.5Å |
| 665 | G | 96.5 | Very high | 95.1 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q661 I662 W663 Q669 | Q661-G665 PolarHBondContact O-N 3.2Å; I662-G665 PolarHBondContact O-N 3.06Å; W663-G665 VanDerWaalsContact C-N 3.28Å; W663-G665 PolarHBondContact O-N 2.84Å; G665-Q669 VanDerWaalsContact O-CG 3.31Å; G665-Q669 WeakPolarHBondContact O-CG 3.46Å; G665-Q669 PolarHBondContact O-N 3.27Å; G665-Q669 PolarHBondContact O-NE2 2.95Å |
| 666 | I | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 175.4 | -66.6 | 168.3 | 0 | 0 | 0 | 110.1 | I662 W663 Q669 A670 L677 V682 Q685 L686 L689 | I662-I666 HydrophobicContact CG2-CD1 4.04Å; I662-I666 WeakPolarHBondContact O-CG1 3.41Å; I662-I666 PolarHBondContact O-N 2.94Å; W663-I666 PolarHBondContact O-N 3.18Å; I666-Q669 PolarHBondContact O-N 2.83Å; I666-A670 WeakPolarHBondContact O-CB 3.15Å; I666-A670 PolarHBondContact O-N 3.12Å; I666-L677 HydrophobicContact CG2-CD2 4.3Å; I666-V682 HydrophobicContact CG2-CG1 3.82Å; I666-Q685 HydrophobicContact CD1-CB 4.41Å; I666-Q685 HydrophobicContact CD1-CG 4.13Å; I666-L686 HydrophobicContact CD1-CD2 3.99Å; I666-L686 HydrophobicContact CD1-CG 4.16Å; I666-L686 HydrophobicContact CG2-CD1 4.36Å; I666-L686 HydrophobicContact CG2-CD2 4.05Å; I666-L686 HydrophobicContact CG2-CG 4.31Å; I666-L689 HydrophobicContact CD1-CD1 4.18Å |
| 667 | L | 94.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | -179 | -69.2 | -176.3 | 0 | 0 | 0 | 112.9 | W663 D664 Q669 A670 A671 D714 V718 | W663-L667 HydrophobicContact CG-CD1 4.48Å; W663-L667 HydrophobicContact CZ2-CD1 4.35Å; W663-L667 WeakPolarHBondContact O-CG 3.49Å; W663-L667 PolarHBondContact O-N 3.05Å; D664-L667 PolarHBondContact O-N 2.92Å; L667-Q669 VanDerWaalsContact C-N 3.3Å; L667-Q669 PolarHBondContact O-N 3.23Å; L667-A670 PolarHBondContact O-N 3.5Å; L667-A671 WeakPolarHBondContact O-CB 3.41Å; L667-A671 PolarHBondContact O-N 3.34Å; L667-D714 HydrophobicContact CD1-CB 3.61Å; L667-V718 HydrophobicContact CD2-CG2 3.95Å |
| 668 | V | 95 | Very high | 94.2 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | D664 A671 C672 | D664-V668 VanDerWaalsContact O-CG2 3.29Å; D664-V668 WeakPolarHBondContact O-CG2 3.39Å; D664-V668 PolarHBondContact O-N 3.36Å; V668-A671 PolarHBondContact O-N 3.49Å; V668-C672 PolarHBondContact O-N 2.9Å |
| 669 | Q | 93.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.4 | -66.3 | 175.5 | 49.4 | 0 | 0 | 112 | G665 I666 L667 A671 C672 N673 L676 | G665-Q669 VanDerWaalsContact O-CG 3.31Å; G665-Q669 WeakPolarHBondContact O-CG 3.46Å; G665-Q669 PolarHBondContact O-N 3.27Å; G665-Q669 PolarHBondContact O-NE2 2.95Å; I666-Q669 PolarHBondContact O-N 2.83Å; L667-Q669 VanDerWaalsContact C-N 3.3Å; L667-Q669 PolarHBondContact O-N 3.23Å; Q669-A671 VanDerWaalsContact C-N 3.29Å; Q669-A671 PolarHBondContact O-N 3.36Å; Q669-C672 WeakPolarHBondContact O-CB 3.49Å; Q669-C672 PolarHBondContact O-N 3.36Å; Q669-C672 VanDerWaalsContact O-N 3.1Å; Q669-N673 PolarHBondContact O-N 3.33Å; Q669-L676 HydrophobicContact CB-CD2 3.46Å; Q669-L676 VanDerWaalsContact CB-CD2 3.46Å |
| 670 | A | 92.3 | Very high | 94 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I666 L667 C672 N673 I674 L677 | I666-A670 WeakPolarHBondContact O-CB 3.15Å; I666-A670 PolarHBondContact O-N 3.12Å; L667-A670 PolarHBondContact O-N 3.5Å; A670-C672 VanDerWaalsContact C-N 3.26Å; A670-C672 PolarHBondContact O-N 3.15Å; A670-N673 CarbonylContact O-C 3.6Å; A670-N673 PolarHBondContact O-N 2.9Å; A670-I674 PolarHBondContact O-N 3.49Å; A670-L677 HydrophobicContact CB-CD1 4.08Å; A670-L677 HydrophobicContact CB-CD2 4.23Å; A670-L677 HydrophobicContact CB-CG 3.99Å |
| 671 | A | 91.8 | Very high | 93.8 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 74% | 0.744 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.3 | -29.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L667 V668 Q669 | L667-A671 WeakPolarHBondContact O-CB 3.41Å; L667-A671 PolarHBondContact O-N 3.34Å; V668-A671 PolarHBondContact O-N 3.49Å; Q669-A671 VanDerWaalsContact C-N 3.29Å; Q669-A671 PolarHBondContact O-N 3.36Å |
| 672 | C | 92.7 | Very high | 93.8 | Very high | 117 Ų | 117 | 64.1 Ų | 64.1 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -82.3 | -35.9 | 172.7 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | V668 Q669 A670 | V668-C672 PolarHBondContact O-N 2.9Å; Q669-C672 WeakPolarHBondContact O-CB 3.49Å; Q669-C672 PolarHBondContact O-N 3.36Å; Q669-C672 VanDerWaalsContact O-N 3.1Å; A670-C672 VanDerWaalsContact C-N 3.26Å; A670-C672 PolarHBondContact O-N 3.15Å |
| 673 | N | 92.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | trans | -147.2 | 104.5 | 179.2 | -178.5 | 11 | 0 | 0 | 0 | 111.5 | Q669 A670 D675 L676 | Q669-N673 PolarHBondContact O-N 3.33Å; A670-N673 CarbonylContact O-C 3.6Å; A670-N673 PolarHBondContact O-N 2.9Å; N673-D675 PolarHBondContact O-N 2.98Å; N673-D675 WeakPolarHBondContact OD1-CB 3.37Å; N673-D675 PolarHBondContact OD1-N 2.88Å; N673-D675 VanDerWaalsContact OD1-N 3.1Å; N673-L676 VanDerWaalsContact O-CB 3.26Å; N673-L676 WeakPolarHBondContact O-CB 3.29Å; N673-L676 PolarHBondContact O-N 3.04Å | ||
| 674 | I | 90.9 | Very high | 93.6 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -67.6 | -22 | -177.8 | -156.8 | 161.7 | 0 | 0 | 0 | 113.2 | A670 L676 L677 I721 | A670-I674 PolarHBondContact O-N 3.49Å; I674-L676 PolarHBondContact O-N 2.97Å; I674-L677 PolarHBondContact O-N 3.26Å; I674-L677 VanDerWaalsContact O-N 3.09Å; I674-I721 HydrophobicContact CD1-CD1 3.93Å; I674-I721 HydrophobicContact CD1-CG1 4.22Å; I674-I721 HydrophobicContact CD1-CG2 4.49Å; I674-I721 HydrophobicContact CG1-CD1 4.3Å; I674-I721 HydrophobicContact CG1-CG2 4.33Å |
| 675 | D | 90.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -66 | -16.8 | 177.1 | -73 | -46.3 | 0 | 0 | 0 | 112.4 | N673 L677 R678 | N673-D675 PolarHBondContact O-N 2.98Å; N673-D675 WeakPolarHBondContact OD1-CB 3.37Å; N673-D675 PolarHBondContact OD1-N 2.88Å; N673-D675 VanDerWaalsContact OD1-N 3.1Å; D675-L677 PolarHBondContact O-N 3.36Å; D675-R678 VanDerWaalsContact O-CB 3.32Å; D675-R678 WeakPolarHBondContact O-CB 3.45Å; D675-R678 PolarHBondContact O-N 3.13Å; D675-R678 IonicContact OD1-CZ 3.93Å; D675-R678 IonicContact OD1-NE 2.69Å; D675-R678 IonicContact OD1-NH1 3.28Å; D675-R678 PolarHBondContact OD1-NH1 3.26Å |
| 676 | L | 91.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -56 | -33.1 | 170.7 | -174.1 | 72.9 | 0 | 0 | 0 | 111.9 | Q669 N673 I674 R678 D679 V682 | Q669-L676 HydrophobicContact CB-CD2 3.46Å; Q669-L676 VanDerWaalsContact CB-CD2 3.46Å; N673-L676 VanDerWaalsContact O-CB 3.26Å; N673-L676 WeakPolarHBondContact O-CB 3.29Å; N673-L676 PolarHBondContact O-N 3.04Å; I674-L676 PolarHBondContact O-N 2.97Å; L676-R678 PolarHBondContact O-N 3.02Å; L676-R678 VanDerWaalsContact O-N 3.1Å; L676-D679 WeakPolarHBondContact O-CB 3.36Å; L676-D679 PolarHBondContact O-N 3.18Å; L676-V682 HydrophobicContact CD1-CG2 3.85Å; L676-V682 HydrophobicContact CG-CG1 4.25Å; L676-V682 HydrophobicContact CG-CG2 4.01Å |
| 677 | L | 91.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -75.2 | 8 | 177.2 | -62 | 178.4 | 0 | 0 | 0 | 113.3 | I666 A670 I674 D675 V682 V683 L686 I721 M722 M746 | I666-L677 HydrophobicContact CG2-CD2 4.3Å; A670-L677 HydrophobicContact CB-CD1 4.08Å; A670-L677 HydrophobicContact CB-CD2 4.23Å; A670-L677 HydrophobicContact CB-CG 3.99Å; I674-L677 PolarHBondContact O-N 3.26Å; I674-L677 VanDerWaalsContact O-N 3.09Å; D675-L677 PolarHBondContact O-N 3.36Å; L677-V682 HydrophobicContact CD2-CG1 4.36Å; L677-V683 WeakPolarHBondContact O-CG2 3.38Å; L677-L686 HydrophobicContact CD2-CD1 3.66Å; L677-I721 HydrophobicContact CB-CG2 4.24Å; L677-I721 HydrophobicContact CD1-CB 4.28Å; L677-I721 HydrophobicContact CD1-CD1 3.72Å; L677-I721 HydrophobicContact CD1-CG2 3.78Å; L677-M722 HydrophobicContact CB-CE 3.95Å; L677-M722 HydrophobicContact CD2-CE 4.02Å; L677-M722 HydrophobicContact CG-CE 4.43Å; L677-M746 WeakPolarHBondContact O-CE 3.33Å |
| 678 | R | 92.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -107.5 | -3.3 | 168.3 | -60.3 | 173.8 | 169.9 | 171.5 | -11.7 | 112.5 | D675 L676 N725 L742 M746 | D675-R678 VanDerWaalsContact O-CB 3.32Å; D675-R678 WeakPolarHBondContact O-CB 3.45Å; D675-R678 PolarHBondContact O-N 3.13Å; D675-R678 IonicContact OD1-CZ 3.93Å; D675-R678 IonicContact OD1-NE 2.69Å; D675-R678 IonicContact OD1-NH1 3.28Å; D675-R678 PolarHBondContact OD1-NH1 3.26Å; L676-R678 PolarHBondContact O-N 3.02Å; L676-R678 VanDerWaalsContact O-N 3.1Å; R678-N725 PolarHBondContact NE-OD1 3.39Å; R678-N725 PolarHBondContact NH2-OD1 3.44Å; R678-N725 VanDerWaalsContact NH2-OD1 3.14Å; R678-L742 WeakPolarHBondContact O-CD1 3.29Å; R678-L742 VanDerWaalsContact O-CD2 3.26Å; R678-L742 WeakPolarHBondContact O-CD2 3.41Å; R678-M746 HydrophobicContact CB-CE 4.34Å; R678-M746 HydrophobicContact CG-CE 4.27Å |
| 679 | D | 94.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | trans | -76 | 133.4 | 174.1 | -176 | -91.8 | 0 | 0 | 0 | 110.9 | L676 E681 V682 V683 | L676-D679 WeakPolarHBondContact O-CB 3.36Å; L676-D679 PolarHBondContact O-N 3.18Å; D679-E681 PolarHBondContact O-N 3.48Å; D679-E681 WeakPolarHBondContact OD1-CB 3.41Å; D679-E681 PolarHBondContact OD1-N 3.47Å; D679-V682 HydrophobicContact CB-CB 4.18Å; D679-V682 HydrophobicContact CB-CG2 3.95Å; D679-V682 PolarHBondContact O-N 3.35Å; D679-V682 PolarHBondContact OD1-N 3.32Å; D679-V683 VanDerWaalsContact O-CG2 3.23Å; D679-V683 WeakPolarHBondContact O-CG2 3.34Å; D679-V683 PolarHBondContact O-N 3.35Å | ||
| 680 | F | 93.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | -175.1 | -179.7 | -101.9 | 0 | 0 | 0 | 112.5 | V683 Q684 P741 L742 S745 | F680-V683 PolarHBondContact O-N 3.15Å; F680-Q684 WeakPolarHBondContact O-CB 3.43Å; F680-Q684 PolarHBondContact O-N 3.2Å; F680-P741 HydrophobicContact CD2-CB 4.44Å; F680-P741 HydrophobicContact CE2-CB 3.77Å; F680-P741 HydrophobicContact CZ-CB 4.36Å; F680-L742 HydrophobicContact CB-CD1 4.18Å; F680-L742 HydrophobicContact CD2-CB 4.37Å; F680-L742 HydrophobicContact CD2-CD1 4.3Å; F680-S745 VanDerWaalsContact CE2-OG 3.24Å; F680-S745 WeakPolarHBondContact CE2-OG 3.37Å |
| 681 | E | 94 | Very high | 94 | Very high | 148 Ų | 148 | 58.1 Ų | 58.1 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.8 | -41.2 | -177.8 | -60.9 | -175.5 | 173.9 | 0 | 0 | 110.7 | D679 Q684 Q685 | D679-E681 PolarHBondContact O-N 3.48Å; D679-E681 WeakPolarHBondContact OD1-CB 3.41Å; D679-E681 PolarHBondContact OD1-N 3.47Å; E681-Q684 PolarHBondContact O-N 2.86Å; E681-Q685 WeakPolarHBondContact O-CB 3.45Å; E681-Q685 PolarHBondContact O-N 3.2Å |
| 682 | V | 95.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | I666 L676 L677 D679 Q684 Q685 L686 | I666-V682 HydrophobicContact CG2-CG1 3.82Å; L676-V682 HydrophobicContact CD1-CG2 3.85Å; L676-V682 HydrophobicContact CG-CG1 4.25Å; L676-V682 HydrophobicContact CG-CG2 4.01Å; L677-V682 HydrophobicContact CD2-CG1 4.36Å; D679-V682 HydrophobicContact CB-CB 4.18Å; D679-V682 HydrophobicContact CB-CG2 3.95Å; D679-V682 PolarHBondContact O-N 3.35Å; D679-V682 PolarHBondContact OD1-N 3.32Å; V682-Q684 VanDerWaalsContact C-N 3.33Å; V682-Q684 PolarHBondContact O-N 3.47Å; V682-Q685 PolarHBondContact O-N 3.33Å; V682-L686 HydrophobicContact CG1-CD1 4.39Å; V682-L686 WeakPolarHBondContact O-CG 3.37Å; V682-L686 PolarHBondContact O-N 2.79Å |
| 683 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L677 D679 F680 L686 C687 M722 L742 S745 M746 V749 | L677-V683 WeakPolarHBondContact O-CG2 3.38Å; D679-V683 VanDerWaalsContact O-CG2 3.23Å; D679-V683 WeakPolarHBondContact O-CG2 3.34Å; D679-V683 PolarHBondContact O-N 3.35Å; F680-V683 PolarHBondContact O-N 3.15Å; V683-L686 PolarHBondContact O-N 3.17Å; V683-C687 PolarHBondContact O-N 3.41Å; V683-M722 HydrophobicContact CG2-CE 4.05Å; V683-M722 HydrophobicContact CG2-SD 4.22Å; V683-L742 HydrophobicContact CG2-CD1 4.25Å; V683-S745 VanDerWaalsContact CG1-C 3.44Å; V683-M746 HydrophobicContact CG1-CB 4.48Å; V683-M746 HydrophobicContact CG1-CG 3.99Å; V683-M746 HydrophobicContact CG2-CE 4.42Å; V683-M746 HydrophobicContact CG2-CG 4.23Å; V683-V749 HydrophobicContact CG1-CG2 3.82Å; V683-V749 WeakPolarHBondContact O-CG2 3.31Å |
| 684 | Q | 93.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 176.5 | -162.9 | -178.8 | 9.8 | 0 | 0 | 111.7 | F680 E681 V682 C687 N688 | F680-Q684 WeakPolarHBondContact O-CB 3.43Å; F680-Q684 PolarHBondContact O-N 3.2Å; E681-Q684 PolarHBondContact O-N 2.86Å; V682-Q684 VanDerWaalsContact C-N 3.33Å; V682-Q684 PolarHBondContact O-N 3.47Å; Q684-C687 WeakPolarHBondContact O-CB 3.34Å; Q684-C687 PolarHBondContact O-N 3.46Å; Q684-N688 PolarHBondContact O-N 3.13Å; Q684-N688 PolarHBondContact O-ND2 3.12Å |
| 685 | Q | 95 | Very high | 95.2 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 175.6 | -167.5 | 173.3 | 28.5 | 0 | 0 | 111.6 | I662 I666 E681 V682 C687 N688 L689 | I662-Q685 HydrophobicContact CG2-CG 4.07Å; I666-Q685 HydrophobicContact CD1-CB 4.41Å; I666-Q685 HydrophobicContact CD1-CG 4.13Å; E681-Q685 WeakPolarHBondContact O-CB 3.45Å; E681-Q685 PolarHBondContact O-N 3.2Å; V682-Q685 PolarHBondContact O-N 3.33Å; Q685-C687 VanDerWaalsContact C-N 3.32Å; Q685-C687 PolarHBondContact O-N 3.11Å; Q685-N688 PolarHBondContact O-N 3.37Å; Q685-L689 WeakPolarHBondContact O-CG 3.47Å; Q685-L689 PolarHBondContact O-N 3.32Å |
| 686 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 173.3 | -75.3 | 170.9 | 0 | 0 | 0 | 111.9 | W663 I666 L677 V682 V683 N688 L689 L690 V718 M722 V749 | W663-L686 HydrophobicContact CE3-CD2 3.89Å; W663-L686 HydrophobicContact CZ3-CD2 3.72Å; I666-L686 HydrophobicContact CD1-CD2 3.99Å; I666-L686 HydrophobicContact CD1-CG 4.16Å; I666-L686 HydrophobicContact CG2-CD1 4.36Å; I666-L686 HydrophobicContact CG2-CD2 4.05Å; I666-L686 HydrophobicContact CG2-CG 4.31Å; L677-L686 HydrophobicContact CD2-CD1 3.66Å; V682-L686 HydrophobicContact CG1-CD1 4.39Å; V682-L686 WeakPolarHBondContact O-CG 3.37Å; V682-L686 PolarHBondContact O-N 2.79Å; V683-L686 PolarHBondContact O-N 3.17Å; L686-N688 PolarHBondContact O-N 3.16Å; L686-L689 PolarHBondContact O-N 3.33Å; L686-L690 WeakPolarHBondContact O-CD1 3.46Å; L686-L690 WeakPolarHBondContact O-CG 3.3Å; L686-L690 PolarHBondContact O-N 3.26Å; L686-V718 HydrophobicContact CD1-CG1 4.28Å; L686-M722 HydrophobicContact CD1-CE 3.77Å; L686-V749 HydrophobicContact CB-CG2 4.19Å |
| 687 | C | 95.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.7 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | V683 Q684 Q685 L690 K691 S748 V749 | V683-C687 PolarHBondContact O-N 3.41Å; Q684-C687 WeakPolarHBondContact O-CB 3.34Å; Q684-C687 PolarHBondContact O-N 3.46Å; Q685-C687 VanDerWaalsContact C-N 3.32Å; Q685-C687 PolarHBondContact O-N 3.11Å; C687-L690 PolarHBondContact O-N 3.06Å; C687-K691 WeakPolarHBondContact O-CB 3.2Å; C687-K691 WeakPolarHBondContact O-CG 3.46Å; C687-K691 PolarHBondContact O-N 3.3Å; C687-K691 VanDerWaalsContact SG-CE 3.53Å; C687-S748 VanDerWaalsContact SG-CB 3.55Å; C687-V749 HydrophobicContact CB-CG2 3.79Å |
| 688 | N | 95.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.9 | -70.2 | -25.1 | 0 | 0 | 0 | 112.3 | H629 Q684 Q685 L686 L690 K691 T692 | H629-N688 PolarHBondContact NE2-O 3.41Å; Q684-N688 PolarHBondContact O-N 3.13Å; Q684-N688 PolarHBondContact O-ND2 3.12Å; Q685-N688 PolarHBondContact O-N 3.37Å; L686-N688 PolarHBondContact O-N 3.16Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 3.21Å; N688-K691 PolarHBondContact O-N 3.24Å; N688-T692 WeakPolarHBondContact O-CB 3.28Å; N688-T692 PolarHBondContact O-N 3Å; N688-T692 PolarHBondContact O-OG1 2.94Å |
| 689 | L | 97.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 174.8 | -69.3 | 173.1 | 0 | 0 | 0 | 111.7 | P659 I662 W663 I666 Q685 L686 T692 N693 | P659-L689 HydrophobicContact CB-CD2 3.89Å; I662-L689 HydrophobicContact CB-CD1 4.21Å; I662-L689 HydrophobicContact CB-CD2 4.23Å; I662-L689 HydrophobicContact CD1-CD2 4.45Å; I662-L689 HydrophobicContact CG2-CD1 3.84Å; I662-L689 HydrophobicContact CG2-CD2 4.38Å; W663-L689 HydrophobicContact CB-CD1 4.3Å; W663-L689 HydrophobicContact CE3-CD1 4.34Å; I666-L689 HydrophobicContact CD1-CD1 4.18Å; Q685-L689 WeakPolarHBondContact O-CG 3.47Å; Q685-L689 PolarHBondContact O-N 3.32Å; L686-L689 PolarHBondContact O-N 3.33Å; L689-T692 WeakPolarHBondContact O-CB 3.48Å; L689-T692 PolarHBondContact O-N 3.39Å; L689-N693 PolarHBondContact O-N 3.37Å; L689-N693 PolarHBondContact O-ND2 3.16Å |
| 690 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70 | -37.8 | 179.1 | -70.6 | 163.2 | 0 | 0 | 0 | 112.3 | W663 L686 C687 N688 N693 H694 M715 V749 A752 I753 L756 | W663-L690 HydrophobicContact CH2-CD2 4.41Å; W663-L690 HydrophobicContact CZ3-CD2 4.15Å; W663-L690 HydrophobicContact CZ3-CG 4.29Å; L686-L690 WeakPolarHBondContact O-CD1 3.46Å; L686-L690 WeakPolarHBondContact O-CG 3.3Å; L686-L690 PolarHBondContact O-N 3.26Å; C687-L690 PolarHBondContact O-N 3.06Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 3.21Å; L690-N693 WeakPolarHBondContact O-CB 3.46Å; L690-N693 PolarHBondContact O-N 2.95Å; L690-H694 WeakPolarHBondContact O-CB 3.49Å; L690-H694 PolarHBondContact O-N 3.28Å; L690-M715 HydrophobicContact CD2-CG 4.02Å; L690-M715 HydrophobicContact CD2-SD 3.77Å; L690-V749 HydrophobicContact CD1-CG1 3.75Å; L690-A752 HydrophobicContact CB-CB 3.76Å; L690-A752 HydrophobicContact CD1-CB 4.45Å; L690-I753 HydrophobicContact CD1-CD1 4.04Å; L690-I753 HydrophobicContact CD1-CG1 3.59Å; L690-I753 HydrophobicContact CD2-CG1 3.88Å; L690-I753 HydrophobicContact CG-CG1 4.34Å; L690-L756 HydrophobicContact CD2-CD2 4.49Å |
| 691 | K | 96.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 30.1 Ų | 30.1 | 20% | 0.204 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 172.7 | -74.8 | 173.1 | 173.7 | 170.7 | 0 | 112.2 | E437 H629 C687 N688 H694 S695 A752 | E437-K691 IonicContact OE1-NZ 3.77Å; E437-K691 PolarHBondContact OE1-NZ 3.37Å; E437-K691 IonicContact OE2-NZ 2.87Å; E437-K691 PolarHBondContact OE2-NZ 3.26Å; H629-K691 WeakPolarHBondContact CE1-CB 3.31Å; C687-K691 WeakPolarHBondContact O-CB 3.2Å; C687-K691 WeakPolarHBondContact O-CG 3.46Å; C687-K691 PolarHBondContact O-N 3.3Å; C687-K691 VanDerWaalsContact SG-CE 3.53Å; N688-K691 PolarHBondContact O-N 3.24Å; K691-H694 WeakPolarHBondContact O-CB 3.32Å; K691-H694 PolarHBondContact O-N 2.93Å; K691-S695 PolarHBondContact O-N 3.21Å; K691-A752 HydrophobicContact CG-CB 4.38Å |
| 692 | T | 97.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 171.3 | -56.8 | 0 | 0 | 0 | 0 | 111 | H629 Y632 P659 N688 L689 H694 S695 A696 | H629-T692 PolarHBondContact CD2-OG1 3.33Å; H629-T692 VanDerWaalsContact CD2-OG1 3.24Å; Y632-T692 HydrophobicContact CD1-CG2 3.56Å; Y632-T692 HydrophobicContact CD2-CG2 3.6Å; Y632-T692 HydrophobicContact CE1-CG2 3.94Å; Y632-T692 HydrophobicContact CE2-CG2 3.97Å; Y632-T692 HydrophobicContact CG-CG2 3.38Å; P659-T692 HydrophobicContact CG-CG2 4.38Å; N688-T692 WeakPolarHBondContact O-CB 3.28Å; N688-T692 PolarHBondContact O-N 3Å; N688-T692 PolarHBondContact O-OG1 2.94Å; L689-T692 WeakPolarHBondContact O-CB 3.48Å; L689-T692 PolarHBondContact O-N 3.39Å; T692-H694 PolarHBondContact O-N 3.08Å; T692-S695 PolarHBondContact O-N 3.06Å; T692-A696 PolarHBondContact O-N 3.35Å |
| 693 | N | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 174.3 | -85.9 | -87.3 | 0 | 0 | 0 | 112.1 | F656 L689 L690 A696 C697 Y704 Q707 L756 | F656-N693 HydrophobicContact CE1-CB 4.42Å; F656-N693 VanDerWaalsContact CE1-OD1 3.25Å; F656-N693 WeakPolarHBondContact CE1-OD1 3.14Å; L689-N693 PolarHBondContact O-N 3.37Å; L689-N693 PolarHBondContact O-ND2 3.16Å; L690-N693 WeakPolarHBondContact O-CB 3.46Å; L690-N693 PolarHBondContact O-N 2.95Å; N693-A696 PolarHBondContact O-N 3.1Å; N693-C697 WeakPolarHBondContact O-CB 3.5Å; N693-C697 PolarHBondContact O-N 3.39Å; N693-Y704 WeakPolarHBondContact CB-OH 3.19Å; N693-Y704 PolarHBondContact OD1-OH 2.94Å; N693-Q707 WeakPolarHBondContact OD1-CG 3.34Å; N693-Q707 PolarHBondContact OD1-NE2 3.18Å; N693-L756 HydrophobicContact CB-CD1 4.32Å; N693-L756 HydrophobicContact CB-CD2 3.85Å |
| 694 | H | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 26.8 Ų | 26.8 | 18% | 0.181 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 177 | 179.7 | 66.9 | 0 | 0 | 0 | 112.4 | L690 K691 T692 C697 K698 N755 L756 | L690-H694 WeakPolarHBondContact O-CB 3.49Å; L690-H694 PolarHBondContact O-N 3.28Å; K691-H694 WeakPolarHBondContact O-CB 3.32Å; K691-H694 PolarHBondContact O-N 2.93Å; T692-H694 PolarHBondContact O-N 3.08Å; H694-C697 WeakPolarHBondContact O-CB 3.35Å; H694-C697 PolarHBondContact O-N 3.47Å; H694-K698 VanDerWaalsContact NE2-CE 3.32Å; H694-K698 WeakPolarHBondContact NE2-CE 3.39Å; H694-K698 WeakPolarHBondContact O-CG 3.43Å; H694-K698 PolarHBondContact O-N 2.9Å; H694-N755 PolarHBondContact CE1-O 3.44Å; H694-N755 PolarHBondContact ND1-O 3.42Å; H694-L756 HydrophobicContact CB-CB 4.4Å; H694-L756 HydrophobicContact CB-CD1 4.43Å |
| 695 | S | 97.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 176.9 | -91.6 | 0 | 0 | 0 | 0 | 112.5 | H629 E633 K691 T692 C697 K698 | H629-S695 VanDerWaalsContact O-CB 3.29Å; H629-S695 WeakPolarHBondContact O-CB 3.4Å; E633-S695 WeakPolarHBondContact CG-O 3.32Å; K691-S695 PolarHBondContact O-N 3.21Å; T692-S695 PolarHBondContact O-N 3.06Å; S695-C697 PolarHBondContact O-N 3.44Å; S695-K698 WeakPolarHBondContact O-CB 3.39Å; S695-K698 PolarHBondContact O-N 2.94Å |
| 696 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L655 F656 T692 N693 K698 S699 L700 | L655-A696 HydrophobicContact CD2-CB 4.39Å; F656-A696 HydrophobicContact CE1-CB 4.25Å; F656-A696 HydrophobicContact CE2-CB 4.26Å; F656-A696 HydrophobicContact CZ-CB 3.48Å; F656-A696 VanDerWaalsContact CZ-CB 3.48Å; T692-A696 PolarHBondContact O-N 3.35Å; N693-A696 PolarHBondContact O-N 3.1Å; A696-K698 VanDerWaalsContact C-N 3.33Å; A696-K698 PolarHBondContact O-N 3.12Å; A696-S699 PolarHBondContact O-N 2.93Å; A696-S699 VanDerWaalsContact O-N 3.13Å; A696-S699 PolarHBondContact O-OG 3.18Å; A696-L700 HydrophobicContact CB-CD1 4.35Å; A696-L700 WeakPolarHBondContact O-CB 3.35Å; A696-L700 WeakPolarHBondContact O-CG 3.28Å; A696-L700 PolarHBondContact O-N 2.97Å |
| 697 | C | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 112.6 | N693 H694 S695 S699 L700 G701 Y704 L756 | N693-C697 WeakPolarHBondContact O-CB 3.5Å; N693-C697 PolarHBondContact O-N 3.39Å; H694-C697 WeakPolarHBondContact O-CB 3.35Å; H694-C697 PolarHBondContact O-N 3.47Å; S695-C697 PolarHBondContact O-N 3.44Å; C697-S699 PolarHBondContact O-N 2.9Å; C697-L700 PolarHBondContact O-N 3.22Å; C697-G701 PolarHBondContact O-N 3.13Å; C697-Y704 HydrophobicContact CB-CD1 3.83Å; C697-Y704 HydrophobicContact CB-CD2 3.98Å; C697-Y704 HydrophobicContact CB-CE1 4.04Å; C697-Y704 HydrophobicContact CB-CE2 4.18Å; C697-Y704 HydrophobicContact CB-CG 3.82Å; C697-L756 HydrophobicContact CB-CD1 3.56Å |
| 698 | K | 96.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 23.4 Ų | 23.4 | 35% | 0.352 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -53.4 | -39.6 | 176.5 | -73.2 | 175.4 | -173.7 | 172.6 | 0 | 112.3 | H694 S695 A696 C759 R763 | H694-K698 VanDerWaalsContact NE2-CE 3.32Å; H694-K698 WeakPolarHBondContact NE2-CE 3.39Å; H694-K698 WeakPolarHBondContact O-CG 3.43Å; H694-K698 PolarHBondContact O-N 2.9Å; S695-K698 WeakPolarHBondContact O-CB 3.39Å; S695-K698 PolarHBondContact O-N 2.94Å; A696-K698 VanDerWaalsContact C-N 3.33Å; A696-K698 PolarHBondContact O-N 3.12Å; K698-C759 VanDerWaalsContact CG-SG 3.56Å; K698-R763 PolarHBondContact O-NE 2.89Å; K698-R763 VanDerWaalsContact O-NE 3.08Å |
| 699 | S | 96.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 24 Ų | 24 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -86.1 | -41.1 | -176.4 | 61 | 0 | 0 | 0 | 0 | 114.7 | E633 G636 V637 A696 C697 | E633-S699 WeakPolarHBondContact O-CB 3.3Å; E633-S699 PolarHBondContact O-OG 3.3Å; G636-S699 VanDerWaalsContact C-OG 3.27Å; G636-S699 WeakPolarHBondContact CA-OG 3.24Å; V637-S699 VanDerWaalsContact CG2-CB 3.42Å; V637-S699 PolarHBondContact N-OG 3.11Å; A696-S699 PolarHBondContact O-N 2.93Å; A696-S699 VanDerWaalsContact O-N 3.13Å; A696-S699 PolarHBondContact O-OG 3.18Å; C697-S699 PolarHBondContact O-N 2.9Å |
| 700 | L | 97.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.1 | -27.4 | -178.5 | -70.6 | 168.8 | 0 | 0 | 0 | 112.6 | G636 I639 I652 F656 A696 C697 H702 Y704 | G636-L700 WeakPolarHBondContact O-CD2 3.14Å; I639-L700 HydrophobicContact CB-CD2 3.92Å; I639-L700 HydrophobicContact CG2-CD2 3.76Å; I652-L700 HydrophobicContact CD1-CD1 4.35Å; I652-L700 HydrophobicContact CD1-CD2 4.06Å; I652-L700 HydrophobicContact CG1-CD1 4.16Å; I652-L700 HydrophobicContact CG1-CD2 3.95Å; F656-L700 HydrophobicContact CE2-CD1 4.1Å; A696-L700 HydrophobicContact CB-CD1 4.35Å; A696-L700 WeakPolarHBondContact O-CB 3.35Å; A696-L700 WeakPolarHBondContact O-CG 3.28Å; A696-L700 PolarHBondContact O-N 2.97Å; C697-L700 PolarHBondContact O-N 3.22Å; L700-H702 PolarHBondContact O-N 2.93Å; L700-Y704 HydrophobicContact CD1-CD2 4.08Å |
| 701 | G | 95.3 | Very high | 97 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | 63.6 | -128.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C697 S703 Y704 | C697-G701 PolarHBondContact O-N 3.13Å; G701-S703 VanDerWaalsContact C-N 3.35Å; G701-S703 PolarHBondContact O-N 2.95Å; G701-Y704 WeakPolarHBondContact O-CB 3.16Å; G701-Y704 PolarHBondContact O-N 3.34Å |
| 702 | H | 95.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 27.6 Ų | 27.6 | 32% | 0.315 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -59.5 | -42.4 | -177.4 | 175.7 | 71.9 | 0 | 0 | 0 | 112.5 | L700 Y704 L705 W760 T764 | L700-H702 PolarHBondContact O-N 2.93Å; H702-Y704 PolarHBondContact O-N 3.48Å; H702-L705 WeakPolarHBondContact O-CB 3.32Å; H702-L705 PolarHBondContact O-N 3.39Å; H702-W760 PolarHBondContact O-NE1 3.39Å; H702-T764 PolarHBondContact ND1-OG1 3.35Å |
| 703 | S | 96.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -61.9 | -16.5 | -177 | -55.7 | 0 | 0 | 0 | 0 | 114 | E648 I652 G701 L705 V706 | E648-S703 VanDerWaalsContact CD-OG 3.23Å; E648-S703 VanDerWaalsContact OE1-CB 3.22Å; E648-S703 WeakPolarHBondContact OE1-CB 3.42Å; E648-S703 PolarHBondContact OE1-OG 3.22Å; E648-S703 PolarHBondContact OE2-OG 3.43Å; I652-S703 VanDerWaalsContact CD1-O 3.31Å; I652-S703 WeakPolarHBondContact CD1-O 3.43Å; G701-S703 VanDerWaalsContact C-N 3.35Å; G701-S703 PolarHBondContact O-N 2.95Å; S703-L705 PolarHBondContact O-N 3.32Å; S703-V706 PolarHBondContact O-N 3.43Å |
| 704 | Y | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -57.7 | -16.3 | 169.7 | -177.1 | -104.1 | 0 | 0 | 0 | 113.1 | F656 N693 C697 L700 G701 H702 V706 Q707 L708 L756 W760 | F656-Y704 HydrophobicContact CE1-CE2 4.41Å; F656-Y704 HydrophobicContact CE2-CD2 4.26Å; F656-Y704 HydrophobicContact CE2-CE2 4.01Å; F656-Y704 HydrophobicContact CZ-CD2 4.2Å; F656-Y704 AromaticContact CZ-CE2 3.63Å; F656-Y704 HydrophobicContact CZ-CE2 3.63Å; N693-Y704 WeakPolarHBondContact CB-OH 3.19Å; N693-Y704 PolarHBondContact OD1-OH 2.94Å; C697-Y704 HydrophobicContact CB-CD1 3.83Å; C697-Y704 HydrophobicContact CB-CD2 3.98Å; C697-Y704 HydrophobicContact CB-CE1 4.04Å; C697-Y704 HydrophobicContact CB-CE2 4.18Å; C697-Y704 HydrophobicContact CB-CG 3.82Å; L700-Y704 HydrophobicContact CD1-CD2 4.08Å; G701-Y704 WeakPolarHBondContact O-CB 3.16Å; G701-Y704 PolarHBondContact O-N 3.34Å; H702-Y704 PolarHBondContact O-N 3.48Å; Y704-V706 PolarHBondContact O-N 3.33Å; Y704-V706 VanDerWaalsContact O-N 3.09Å; Y704-Q707 HydrophobicContact CD2-CB 4.04Å; Y704-Q707 HydrophobicContact CD2-CG 4.33Å; Y704-Q707 HydrophobicContact CE2-CB 3.71Å; Y704-Q707 HydrophobicContact CE2-CG 3.52Å; Y704-Q707 PolarHBondContact O-N 2.89Å; Y704-L708 HydrophobicContact CD1-CB 3.9Å; Y704-L708 HydrophobicContact CE1-CB 3.68Å; Y704-L708 HydrophobicContact CE1-CD1 4.23Å; Y704-L708 HydrophobicContact CE1-CG 4.42Å; Y704-L708 PolarHBondContact O-N 2.95Å; Y704-L756 HydrophobicContact CE1-CD1 3.65Å; Y704-L756 HydrophobicContact CE1-CG 4.38Å; Y704-W760 HydrophobicContact CD1-CB 4.47Å; Y704-W760 AromaticContact CD1-CD1 3.91Å; Y704-W760 HydrophobicContact CD1-CG 4.3Å |
| 705 | L | 96.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 24% | 0.236 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -48.9 | -34.7 | 173.1 | 178.6 | 58.5 | 0 | 0 | 0 | 113.1 | H702 S703 Q707 L708 G709 W760 F769 | H702-L705 WeakPolarHBondContact O-CB 3.32Å; H702-L705 PolarHBondContact O-N 3.39Å; S703-L705 PolarHBondContact O-N 3.32Å; L705-Q707 VanDerWaalsContact C-N 3.34Å; L705-Q707 PolarHBondContact O-N 3.28Å; L705-L708 PolarHBondContact O-N 3.46Å; L705-G709 PolarHBondContact O-N 3.25Å; L705-W760 HydrophobicContact CB-CZ2 4.2Å; L705-W760 HydrophobicContact CD1-CH2 4.3Å; L705-W760 HydrophobicContact CD1-CZ2 3.81Å; L705-W760 HydrophobicContact CG-CZ2 4.44Å; L705-F769 HydrophobicContact CD1-CE1 3.58Å; L705-F769 HydrophobicContact CD1-CZ 3.85Å; L705-F769 HydrophobicContact CD2-CE1 4.21Å; L705-F769 HydrophobicContact CD2-CZ 4.36Å |
| 706 | V | 96.9 | Very high | 96.9 | Very high | 58 Ų | 58 | 33 Ų | 33 | 35% | 0.352 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | A649 I652 E653 S703 Y704 | A649-V706 HydrophobicContact CB-CG1 4.43Å; A649-V706 HydrophobicContact CB-CG2 3.94Å; I652-V706 HydrophobicContact CG2-CB 4.25Å; I652-V706 HydrophobicContact CG2-CG1 4.37Å; E653-V706 HydrophobicContact CG-CG1 4.19Å; S703-V706 PolarHBondContact O-N 3.43Å; Y704-V706 PolarHBondContact O-N 3.33Å; Y704-V706 VanDerWaalsContact O-N 3.09Å |
| 707 | Q | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.8 | -41.9 | 178.4 | 172.3 | 60.8 | 16.4 | 0 | 0 | 111.7 | I652 F656 N660 N693 Y704 L705 G709 R710 I711 | I652-Q707 HydrophobicContact CG2-CB 4.04Å; F656-Q707 HydrophobicContact CB-CG 4.46Å; F656-Q707 HydrophobicContact CD1-CG 3.97Å; F656-Q707 HydrophobicContact CD2-CB 3.83Å; F656-Q707 HydrophobicContact CD2-CG 3.62Å; F656-Q707 HydrophobicContact CE1-CG 4.05Å; F656-Q707 HydrophobicContact CE2-CB 3.88Å; F656-Q707 HydrophobicContact CE2-CG 3.71Å; F656-Q707 HydrophobicContact CG-CB 4.41Å; F656-Q707 VanDerWaalsContact CG-CD 3.49Å; F656-Q707 HydrophobicContact CG-CG 3.76Å; F656-Q707 HydrophobicContact CZ-CB 4.5Å; F656-Q707 HydrophobicContact CZ-CG 3.91Å; N660-Q707 PolarHBondContact ND2-OE1 3.3Å; N660-Q707 PolarHBondContact OD1-NE2 2.92Å; N693-Q707 WeakPolarHBondContact OD1-CG 3.34Å; N693-Q707 PolarHBondContact OD1-NE2 3.18Å; Y704-Q707 HydrophobicContact CD2-CB 4.04Å; Y704-Q707 HydrophobicContact CD2-CG 4.33Å; Y704-Q707 HydrophobicContact CE2-CB 3.71Å; Y704-Q707 HydrophobicContact CE2-CG 3.52Å; Y704-Q707 PolarHBondContact O-N 2.89Å; L705-Q707 VanDerWaalsContact C-N 3.34Å; L705-Q707 PolarHBondContact O-N 3.28Å; Q707-G709 VanDerWaalsContact C-N 3.33Å; Q707-G709 PolarHBondContact O-N 3.11Å; Q707-R710 WeakPolarHBondContact O-CB 3.39Å; Q707-R710 PolarHBondContact O-N 3.34Å; Q707-R710 VanDerWaalsContact O-N 3.17Å; Q707-I711 PolarHBondContact O-N 3.17Å |
| 708 | L | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 178.6 | -177.4 | 59.2 | 0 | 0 | 0 | 110.5 | Y704 L705 R710 I711 Y712 M715 L757 W760 | Y704-L708 HydrophobicContact CD1-CB 3.9Å; Y704-L708 HydrophobicContact CE1-CB 3.68Å; Y704-L708 HydrophobicContact CE1-CD1 4.23Å; Y704-L708 HydrophobicContact CE1-CG 4.42Å; Y704-L708 PolarHBondContact O-N 2.95Å; L705-L708 PolarHBondContact O-N 3.46Å; L708-R710 PolarHBondContact O-N 3.25Å; L708-R710 VanDerWaalsContact O-N 3.14Å; L708-I711 PolarHBondContact O-N 2.91Å; L708-I711 VanDerWaalsContact O-N 3.11Å; L708-Y712 HydrophobicContact CD1-CD2 3.96Å; L708-Y712 HydrophobicContact CG-CD2 4.4Å; L708-Y712 WeakPolarHBondContact O-CA 3.43Å; L708-Y712 WeakPolarHBondContact O-CB 3.31Å; L708-Y712 PolarHBondContact O-N 3.26Å; L708-M715 HydrophobicContact CD1-CE 4.02Å; L708-L757 HydrophobicContact CD1-CD2 4.06Å; L708-W760 HydrophobicContact CD2-CB 4.49Å; L708-W760 HydrophobicContact CD2-CD2 3.43Å; L708-W760 VanDerWaalsContact CD2-CD2 3.43Å; L708-W760 HydrophobicContact CD2-CE3 3.42Å; L708-W760 VanDerWaalsContact CD2-CE3 3.42Å; L708-W760 HydrophobicContact CD2-CG 3.91Å; L708-W760 HydrophobicContact CD2-CH2 4.27Å; L708-W760 HydrophobicContact CD2-CZ2 4.29Å; L708-W760 HydrophobicContact CD2-CZ3 3.86Å |
| 709 | G | 95.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 58% | 0.577 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -57.1 | -29.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L705 Q707 | L705-G709 PolarHBondContact O-N 3.25Å; Q707-G709 VanDerWaalsContact C-N 3.33Å; Q707-G709 PolarHBondContact O-N 3.11Å |
| 710 | R | 97 | Very high | 96.6 | Very high | 121 Ų | 121 | 35.5 Ų | 35.5 | 46% | 0.457 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.4 | -46.6 | 175.3 | 178.9 | -177.5 | 176 | 154.2 | 0.6 | 112.5 | N660 D664 Q707 L708 | N660-R710 WeakPolarHBondContact ND2-CD 3.25Å; N660-R710 PolarHBondContact ND2-NH1 3.09Å; D664-R710 IonicContact OD2-CZ 3.42Å; D664-R710 IonicContact OD2-NH2 2.53Å; D664-R710 PolarHBondContact OD2-NH2 3.5Å; Q707-R710 WeakPolarHBondContact O-CB 3.39Å; Q707-R710 PolarHBondContact O-N 3.34Å; Q707-R710 VanDerWaalsContact O-N 3.17Å; L708-R710 PolarHBondContact O-N 3.25Å; L708-R710 VanDerWaalsContact O-N 3.14Å |
| 711 | I | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -100.1 | -8.9 | -169.6 | 67.1 | 172 | 0 | 0 | 0 | 113.7 | Q707 L708 L713 D714 M715 | Q707-I711 PolarHBondContact O-N 3.17Å; L708-I711 PolarHBondContact O-N 2.91Å; L708-I711 VanDerWaalsContact O-N 3.11Å; I711-L713 PolarHBondContact O-N 3.22Å; I711-D714 PolarHBondContact O-N 3.28Å; I711-M715 WeakPolarHBondContact O-CB 3.43Å; I711-M715 PolarHBondContact O-N 3.04Å |
| 712 | Y | 97.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -54 | -165.3 | -178 | -121.3 | 0 | 0 | 0 | 114.2 | L708 M715 L716 L757 I774 P777 L778 | L708-Y712 HydrophobicContact CD1-CD2 3.96Å; L708-Y712 HydrophobicContact CG-CD2 4.4Å; L708-Y712 WeakPolarHBondContact O-CA 3.43Å; L708-Y712 WeakPolarHBondContact O-CB 3.31Å; L708-Y712 PolarHBondContact O-N 3.26Å; Y712-M715 HydrophobicContact CD2-CE 4.03Å; Y712-M715 WeakPolarHBondContact O-CB 3.35Å; Y712-M715 PolarHBondContact O-N 3.2Å; Y712-L716 HydrophobicContact CD1-CD1 4.48Å; Y712-L716 HydrophobicContact CE1-CD1 3.91Å; Y712-L716 HydrophobicContact CE2-CD1 4.08Å; Y712-L716 HydrophobicContact CE2-CD2 4.38Å; Y712-L716 HydrophobicContact CE2-CG 4.22Å; Y712-L716 WeakPolarHBondContact O-CG 3.46Å; Y712-L716 PolarHBondContact O-N 3.33Å; Y712-L757 HydrophobicContact CD2-CD2 4Å; Y712-L757 HydrophobicContact CE2-CD2 3.63Å; Y712-I774 HydrophobicContact CD1-CD1 4.2Å; Y712-I774 HydrophobicContact CE1-CD1 3.97Å; Y712-I774 HydrophobicContact CE1-CG2 4.45Å; Y712-I774 HydrophobicContact CE2-CG2 4.12Å; Y712-I774 VanDerWaalsContact OH-CG2 3.28Å; Y712-I774 WeakPolarHBondContact OH-CG2 3.4Å; Y712-I774 PolarHBondContact OH-O 2.98Å; Y712-P777 HydrophobicContact CE1-CB 4.17Å; Y712-P777 HydrophobicContact CE1-CG 4.41Å; Y712-L778 WeakPolarHBondContact OH-CB 3.46Å |
| 713 | L | 96.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 33 Ų | 33 | 57% | 0.565 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -67.6 | -40.7 | -176.5 | -65.8 | 178.7 | 0 | 0 | 0 | 111.9 | I711 M715 L716 N717 P777 | I711-L713 PolarHBondContact O-N 3.22Å; L713-M715 VanDerWaalsContact C-N 3.33Å; L713-L716 PolarHBondContact O-N 2.88Å; L713-N717 PolarHBondContact O-N 3.28Å; L713-N717 PolarHBondContact O-ND2 3.44Å; L713-P777 HydrophobicContact CD2-CB 4.34Å |
| 714 | D | 96.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.4 | -64.6 | -35.6 | 0 | 0 | 0 | 111.5 | W663 L667 I711 L716 N717 V718 | W663-D714 HydrophobicContact CZ2-CB 4Å; L667-D714 HydrophobicContact CD1-CB 3.61Å; I711-D714 PolarHBondContact O-N 3.28Å; D714-L716 VanDerWaalsContact C-N 3.32Å; D714-L716 PolarHBondContact O-N 3.29Å; D714-N717 WeakPolarHBondContact O-CB 3.26Å; D714-N717 PolarHBondContact O-N 3.36Å; D714-N717 VanDerWaalsContact O-N 3.11Å; D714-V718 WeakPolarHBondContact O-CG2 3.39Å; D714-V718 PolarHBondContact O-N 2.93Å |
| 715 | M | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.5 | -178.3 | 178.9 | 66.3 | 0 | 0 | 111.2 | W663 L690 L708 I711 Y712 L713 N717 V718 Y719 I753 L756 L757 | W663-M715 HydrophobicContact CH2-CB 4.15Å; W663-M715 HydrophobicContact CZ2-CB 4.18Å; L690-M715 HydrophobicContact CD2-CG 4.02Å; L690-M715 HydrophobicContact CD2-SD 3.77Å; L708-M715 HydrophobicContact CD1-CE 4.02Å; I711-M715 WeakPolarHBondContact O-CB 3.43Å; I711-M715 PolarHBondContact O-N 3.04Å; Y712-M715 HydrophobicContact CD2-CE 4.03Å; Y712-M715 WeakPolarHBondContact O-CB 3.35Å; Y712-M715 PolarHBondContact O-N 3.2Å; L713-M715 VanDerWaalsContact C-N 3.33Å; M715-N717 VanDerWaalsContact C-N 3.33Å; M715-N717 PolarHBondContact O-N 3.46Å; M715-V718 PolarHBondContact O-N 2.99Å; M715-Y719 PolarHBondContact O-N 3.43Å; M715-I753 HydrophobicContact CE-CG2 4.07Å; M715-I753 HydrophobicContact CG-CB 4.23Å; M715-I753 HydrophobicContact CG-CD1 3.76Å; M715-I753 HydrophobicContact CG-CG1 3.6Å; M715-I753 HydrophobicContact CG-CG2 3.72Å; M715-I753 WeakPolarHBondContact O-CD1 3.33Å; M715-I753 HydrophobicContact SD-CB 4.3Å; M715-I753 HydrophobicContact SD-CG1 4.03Å; M715-I753 HydrophobicContact SD-CG2 3.85Å; M715-L756 HydrophobicContact CE-CD2 4.49Å; M715-L756 HydrophobicContact SD-CD2 3.76Å; M715-L757 HydrophobicContact CE-CD1 4.17Å; M715-L757 HydrophobicContact CE-CD2 3.63Å; M715-L757 HydrophobicContact CE-CG 3.87Å |
| 716 | L | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 174.1 | -66.9 | -176.4 | 0 | 0 | 0 | 112.6 | Y712 L713 D714 Y719 K720 L757 P777 L778 A781 | Y712-L716 HydrophobicContact CD1-CD1 4.48Å; Y712-L716 HydrophobicContact CE1-CD1 3.91Å; Y712-L716 HydrophobicContact CE2-CD1 4.08Å; Y712-L716 HydrophobicContact CE2-CD2 4.38Å; Y712-L716 HydrophobicContact CE2-CG 4.22Å; Y712-L716 WeakPolarHBondContact O-CG 3.46Å; Y712-L716 PolarHBondContact O-N 3.33Å; L713-L716 PolarHBondContact O-N 2.88Å; D714-L716 VanDerWaalsContact C-N 3.32Å; D714-L716 PolarHBondContact O-N 3.29Å; L716-Y719 WeakPolarHBondContact O-CB 3.49Å; L716-Y719 PolarHBondContact O-N 3.02Å; L716-K720 WeakPolarHBondContact O-CG 3.41Å; L716-K720 PolarHBondContact O-N 3.33Å; L716-L757 HydrophobicContact CD2-CD1 4.38Å; L716-P777 HydrophobicContact CD1-CB 3.75Å; L716-L778 HydrophobicContact CD2-CD1 3.99Å; L716-A781 HydrophobicContact CB-CB 3.93Å; L716-A781 HydrophobicContact CD1-CB 4.2Å; L716-A781 HydrophobicContact CD2-CB 3.99Å; L716-A781 HydrophobicContact CG-CB 4.26Å |
| 717 | N | 94.9 | Very high | 96 | Very high | 81 Ų | 81 | 34.1 Ų | 34.1 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 173.6 | -72 | -31.8 | 0 | 0 | 0 | 111.7 | L713 D714 M715 Y719 K720 I721 | L713-N717 PolarHBondContact O-N 3.28Å; L713-N717 PolarHBondContact O-ND2 3.44Å; D714-N717 WeakPolarHBondContact O-CB 3.26Å; D714-N717 PolarHBondContact O-N 3.36Å; D714-N717 VanDerWaalsContact O-N 3.11Å; M715-N717 VanDerWaalsContact C-N 3.33Å; M715-N717 PolarHBondContact O-N 3.46Å; N717-Y719 VanDerWaalsContact C-N 3.32Å; N717-Y719 PolarHBondContact O-N 3Å; N717-K720 PolarHBondContact O-N 3.39Å; N717-I721 WeakPolarHBondContact O-CG1 3.37Å; N717-I721 PolarHBondContact O-N 3.27Å |
| 718 | V | 96.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | W663 L667 L686 D714 M715 K720 I721 M722 V749 | W663-V718 HydrophobicContact CH2-CB 4.48Å; W663-V718 HydrophobicContact CH2-CG2 4.03Å; W663-V718 HydrophobicContact CZ2-CG2 4.37Å; L667-V718 HydrophobicContact CD2-CG2 3.95Å; L686-V718 HydrophobicContact CD1-CG1 4.28Å; D714-V718 WeakPolarHBondContact O-CG2 3.39Å; D714-V718 PolarHBondContact O-N 2.93Å; M715-V718 PolarHBondContact O-N 2.99Å; V718-K720 PolarHBondContact O-N 3.46Å; V718-I721 PolarHBondContact O-N 2.9Å; V718-M722 HydrophobicContact CG1-CE 4.12Å; V718-M722 HydrophobicContact CG1-CG 4.19Å; V718-M722 VanDerWaalsContact O-CG 3.27Å; V718-M722 WeakPolarHBondContact O-CG 3.27Å; V718-M722 PolarHBondContact O-N 3.34Å; V718-V749 HydrophobicContact CG1-CG1 4.03Å |
| 719 | Y | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.6 | -49.7 | 175.1 | -178.7 | -83.9 | 0 | 0 | 0 | 111.9 | M715 L716 N717 I721 M722 S723 K750 I753 L754 A781 V782 D785 | M715-Y719 PolarHBondContact O-N 3.43Å; L716-Y719 WeakPolarHBondContact O-CB 3.49Å; L716-Y719 PolarHBondContact O-N 3.02Å; N717-Y719 VanDerWaalsContact C-N 3.32Å; N717-Y719 PolarHBondContact O-N 3Å; Y719-I721 PolarHBondContact O-N 3.28Å; Y719-M722 PolarHBondContact O-N 2.91Å; Y719-S723 VanDerWaalsContact O-CB 3.32Å; Y719-S723 WeakPolarHBondContact O-CB 3.3Å; Y719-S723 PolarHBondContact O-N 3.42Å; Y719-K750 HydrophobicContact CD2-CB 4.03Å; Y719-K750 HydrophobicContact CD2-CG 3.95Å; Y719-K750 HydrophobicContact CE2-CB 3.75Å; Y719-K750 HydrophobicContact CE2-CD 4.31Å; Y719-K750 VanDerWaalsContact CE2-CE 3.48Å; Y719-K750 HydrophobicContact CE2-CG 3.89Å; Y719-K750 VanDerWaalsContact OH-CE 3.22Å; Y719-K750 WeakPolarHBondContact OH-CE 3.3Å; Y719-I753 HydrophobicContact CD2-CB 4.35Å; Y719-I753 HydrophobicContact CD2-CD1 4.33Å; Y719-I753 HydrophobicContact CD2-CG2 4.25Å; Y719-L754 HydrophobicContact CE2-CD1 4.06Å; Y719-L754 HydrophobicContact CE2-CD2 3.94Å; Y719-L754 HydrophobicContact CE2-CG 3.92Å; Y719-A781 WeakPolarHBondContact CE1-O 3.4Å; Y719-V782 HydrophobicContact CD1-CG2 4.04Å; Y719-V782 HydrophobicContact CE1-CB 4.26Å; Y719-V782 HydrophobicContact CE1-CG1 4.4Å; Y719-V782 HydrophobicContact CE1-CG2 3.81Å; Y719-V782 HydrophobicContact CE2-CG2 4.4Å; Y719-V782 HydrophobicContact CG-CG2 4.46Å; Y719-D785 HydrophobicContact CE1-CB 4.43Å |
| 720 | K | 95.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 30% | 0.3 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59 | -45.3 | 178.6 | -75.2 | 176.7 | 178.2 | 175.5 | 0 | 111.9 | L716 N717 V718 S723 Q724 A781 | L716-K720 WeakPolarHBondContact O-CG 3.41Å; L716-K720 PolarHBondContact O-N 3.33Å; N717-K720 PolarHBondContact O-N 3.39Å; V718-K720 PolarHBondContact O-N 3.46Å; K720-S723 PolarHBondContact O-N 3.42Å; K720-Q724 VanDerWaalsContact O-CG 3.28Å; K720-Q724 WeakPolarHBondContact O-CG 3.32Å; K720-Q724 PolarHBondContact O-N 3.21Å; K720-A781 HydrophobicContact CD-CB 4.39Å; K720-A781 VanDerWaalsContact CE-CB 3.46Å; K720-A781 HydrophobicContact CG-CB 4.24Å |
| 721 | I | 94.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | -179 | -64.7 | 164.7 | 0 | 0 | 0 | 111 | I674 L677 N717 V718 Y719 S723 Q724 N725 | I674-I721 HydrophobicContact CD1-CD1 3.93Å; I674-I721 HydrophobicContact CD1-CG1 4.22Å; I674-I721 HydrophobicContact CD1-CG2 4.49Å; I674-I721 HydrophobicContact CG1-CD1 4.3Å; I674-I721 HydrophobicContact CG1-CG2 4.33Å; L677-I721 HydrophobicContact CB-CG2 4.24Å; L677-I721 HydrophobicContact CD1-CB 4.28Å; L677-I721 HydrophobicContact CD1-CD1 3.72Å; L677-I721 HydrophobicContact CD1-CG2 3.78Å; N717-I721 WeakPolarHBondContact O-CG1 3.37Å; N717-I721 PolarHBondContact O-N 3.27Å; V718-I721 PolarHBondContact O-N 2.9Å; Y719-I721 PolarHBondContact O-N 3.28Å; I721-S723 VanDerWaalsContact C-N 3.27Å; I721-S723 PolarHBondContact O-N 3.23Å; I721-Q724 PolarHBondContact O-N 3.46Å; I721-N725 PolarHBondContact O-N 3.27Å |
| 722 | M | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 175.9 | -66.2 | -58.4 | 159.7 | 0 | 0 | 110.7 | L677 V683 L686 V718 Y719 N725 I726 M746 V749 K750 | L677-M722 HydrophobicContact CB-CE 3.95Å; L677-M722 HydrophobicContact CD2-CE 4.02Å; L677-M722 HydrophobicContact CG-CE 4.43Å; V683-M722 HydrophobicContact CG2-CE 4.05Å; V683-M722 HydrophobicContact CG2-SD 4.22Å; L686-M722 HydrophobicContact CD1-CE 3.77Å; V718-M722 HydrophobicContact CG1-CE 4.12Å; V718-M722 HydrophobicContact CG1-CG 4.19Å; V718-M722 VanDerWaalsContact O-CG 3.27Å; V718-M722 WeakPolarHBondContact O-CG 3.27Å; V718-M722 PolarHBondContact O-N 3.34Å; Y719-M722 PolarHBondContact O-N 2.91Å; M722-N725 PolarHBondContact O-N 3.26Å; M722-I726 WeakPolarHBondContact O-CD1 3.32Å; M722-I726 WeakPolarHBondContact O-CG1 3.49Å; M722-I726 PolarHBondContact O-N 2.89Å; M722-M746 HydrophobicContact SD-CB 4.17Å; M722-M746 HydrophobicContact SD-CG 3.78Å; M722-V749 HydrophobicContact CG-CB 4.35Å; M722-V749 HydrophobicContact CG-CG1 3.94Å; M722-K750 HydrophobicContact CB-CG 4.06Å |
| 723 | S | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 178.3 | -164 | 0 | 0 | 0 | 0 | 113.1 | Y719 K720 I721 N725 I726 G727 K750 D785 N789 | Y719-S723 VanDerWaalsContact O-CB 3.32Å; Y719-S723 WeakPolarHBondContact O-CB 3.3Å; Y719-S723 PolarHBondContact O-N 3.42Å; K720-S723 PolarHBondContact O-N 3.42Å; I721-S723 VanDerWaalsContact C-N 3.27Å; I721-S723 PolarHBondContact O-N 3.23Å; S723-N725 VanDerWaalsContact C-N 3.34Å; S723-N725 PolarHBondContact O-N 2.95Å; S723-I726 PolarHBondContact O-N 3.36Å; S723-G727 PolarHBondContact O-N 2.86Å; S723-K750 PolarHBondContact OG-NZ 3.17Å; S723-D785 WeakPolarHBondContact CB-OD1 3.35Å; S723-D785 WeakPolarHBondContact CB-OD2 3.47Å; S723-D785 PolarHBondContact OG-OD1 3.31Å; S723-D785 PolarHBondContact OG-OD2 3.08Å; S723-N789 PolarHBondContact OG-ND2 3.29Å |
| 724 | Q | 94.1 | Very high | 94.7 | Very high | 124 Ų | 124 | 40.8 Ų | 40.8 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.7 | -42.5 | 175.9 | -73.6 | 171.1 | -2.1 | 0 | 0 | 111.9 | K720 I721 G727 Q728 | K720-Q724 VanDerWaalsContact O-CG 3.28Å; K720-Q724 WeakPolarHBondContact O-CG 3.32Å; K720-Q724 PolarHBondContact O-N 3.21Å; I721-Q724 PolarHBondContact O-N 3.46Å; Q724-G727 PolarHBondContact O-N 3.35Å; Q724-Q728 VanDerWaalsContact O-CB 3.29Å; Q724-Q728 WeakPolarHBondContact O-CB 3.34Å; Q724-Q728 PolarHBondContact O-N 3.23Å |
| 725 | N | 94.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 43 Ų | 43 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.3 | -76.8 | -26.4 | 0 | 0 | 0 | 111.8 | R678 I721 M722 S723 A729 M746 | R678-N725 PolarHBondContact NE-OD1 3.39Å; R678-N725 PolarHBondContact NH2-OD1 3.44Å; R678-N725 VanDerWaalsContact NH2-OD1 3.14Å; I721-N725 PolarHBondContact O-N 3.27Å; M722-N725 PolarHBondContact O-N 3.26Å; S723-N725 VanDerWaalsContact C-N 3.34Å; S723-N725 PolarHBondContact O-N 2.95Å; N725-A729 VanDerWaalsContact O-CB 3.3Å; N725-A729 WeakPolarHBondContact O-CB 3.47Å; N725-A729 PolarHBondContact O-N 3.41Å; N725-M746 HydrophobicContact CB-CE 4.08Å; N725-M746 HydrophobicContact CB-SD 3.83Å |
| 726 | I | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 175.7 | -65 | 160.5 | 0 | 0 | 0 | 110.2 | M722 S723 Q728 A729 V730 I743 M746 R747 K750 A793 | M722-I726 WeakPolarHBondContact O-CD1 3.32Å; M722-I726 WeakPolarHBondContact O-CG1 3.49Å; M722-I726 PolarHBondContact O-N 2.89Å; S723-I726 PolarHBondContact O-N 3.36Å; I726-Q728 PolarHBondContact O-N 3.45Å; I726-A729 PolarHBondContact O-N 3.04Å; I726-V730 HydrophobicContact CG2-CG2 4.31Å; I726-V730 VanDerWaalsContact O-CG2 3.31Å; I726-V730 WeakPolarHBondContact O-CG2 3.22Å; I726-V730 PolarHBondContact O-N 3.43Å; I726-I743 HydrophobicContact CG1-CG2 4.29Å; I726-I743 HydrophobicContact CG2-CG2 4.21Å; I726-M746 HydrophobicContact CD1-CB 3.79Å; I726-M746 HydrophobicContact CG1-CB 3.81Å; I726-M746 HydrophobicContact CG1-SD 4.25Å; I726-R747 HydrophobicContact CD1-CG 3.83Å; I726-K750 HydrophobicContact CD1-CD 3.64Å; I726-K750 HydrophobicContact CD1-CG 4.43Å; I726-A793 HydrophobicContact CG2-CB 4.14Å |
| 727 | G | 93.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | S723 Q724 V730 A731 | S723-G727 PolarHBondContact O-N 2.86Å; Q724-G727 PolarHBondContact O-N 3.35Å; G727-V730 PolarHBondContact O-N 3.49Å; G727-A731 VanDerWaalsContact O-CB 3.28Å; G727-A731 WeakPolarHBondContact O-CB 3.32Å; G727-A731 PolarHBondContact O-N 3.43Å |
| 728 | Q | 93.2 | Very high | 93.7 | Very high | 111 Ų | 111 | 46.5 Ų | 46.5 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.7 | -174 | 177.5 | 11.6 | 0 | 0 | 111.8 | Q724 I726 A731 T732 | Q724-Q728 VanDerWaalsContact O-CB 3.29Å; Q724-Q728 WeakPolarHBondContact O-CB 3.34Å; Q724-Q728 PolarHBondContact O-N 3.23Å; I726-Q728 PolarHBondContact O-N 3.45Å; Q728-A731 PolarHBondContact O-N 3.45Å; Q728-T732 WeakPolarHBondContact O-CB 3.45Å; Q728-T732 PolarHBondContact O-N 2.88Å; Q728-T732 PolarHBondContact O-OG1 3.08Å |
| 729 | A | 93.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 52 Ų | 52 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N725 I726 T732 N733 V737 I743 | N725-A729 VanDerWaalsContact O-CB 3.3Å; N725-A729 WeakPolarHBondContact O-CB 3.47Å; N725-A729 PolarHBondContact O-N 3.41Å; I726-A729 PolarHBondContact O-N 3.04Å; A729-T732 PolarHBondContact O-N 2.91Å; A729-N733 PolarHBondContact O-N 3.48Å; A729-N733 PolarHBondContact O-ND2 3.03Å; A729-V737 HydrophobicContact CB-CG1 4.16Å; A729-V737 HydrophobicContact CB-CG2 4.26Å; A729-I743 HydrophobicContact CB-CD1 3.7Å; A729-I743 HydrophobicContact CB-CG1 4.44Å |
| 730 | V | 94.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | I726 G727 T732 G734 V737 T738 L790 A792 A793 | I726-V730 HydrophobicContact CG2-CG2 4.31Å; I726-V730 VanDerWaalsContact O-CG2 3.31Å; I726-V730 WeakPolarHBondContact O-CG2 3.22Å; I726-V730 PolarHBondContact O-N 3.43Å; G727-V730 PolarHBondContact O-N 3.49Å; V730-T732 VanDerWaalsContact C-N 3.27Å; V730-T732 PolarHBondContact O-N 2.99Å; V730-G734 CarbonylContact O-C 3.16Å; V730-G734 WeakPolarHBondContact O-CA 3.34Å; V730-G734 PolarHBondContact O-N 2.89Å; V730-V737 HydrophobicContact CB-CG1 4.38Å; V730-V737 HydrophobicContact CG2-CG1 3.77Å; V730-T738 HydrophobicContact CG2-CG2 3.74Å; V730-L790 HydrophobicContact CG1-CD1 3.96Å; V730-A792 HydrophobicContact CG1-CB 4.3Å; V730-A793 HydrophobicContact CG2-CB 4.33Å |
| 731 | A | 93.1 | Very high | 92.9 | Very high | 70 Ų | 70 | 58 Ų | 58 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G727 Q728 L790 | G727-A731 VanDerWaalsContact O-CB 3.28Å; G727-A731 WeakPolarHBondContact O-CB 3.32Å; G727-A731 PolarHBondContact O-N 3.43Å; Q728-A731 PolarHBondContact O-N 3.45Å; A731-L790 HydrophobicContact CB-CD1 4.03Å |
| 732 | T | 93.8 | Very high | 92.9 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -83.2 | -39.9 | -177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | Q728 A729 V730 | Q728-T732 WeakPolarHBondContact O-CB 3.45Å; Q728-T732 PolarHBondContact O-N 2.88Å; Q728-T732 PolarHBondContact O-OG1 3.08Å; A729-T732 PolarHBondContact O-N 2.91Å; V730-T732 VanDerWaalsContact C-N 3.27Å; V730-T732 PolarHBondContact O-N 2.99Å |
| 733 | N | 93.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -116.8 | 0.4 | -168.9 | -57.2 | -73.4 | 0 | 0 | 0 | 114 | A729 V737 | A729-N733 PolarHBondContact O-N 3.48Å; A729-N733 PolarHBondContact O-ND2 3.03Å; N733-V737 HydrophobicContact CB-CB 4.05Å; N733-V737 HydrophobicContact CB-CG2 4.18Å |
| 734 | G | 91.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | trans | 75.1 | -176.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V730 Q736 V737 | V730-G734 CarbonylContact O-C 3.16Å; V730-G734 WeakPolarHBondContact O-CA 3.34Å; V730-G734 PolarHBondContact O-N 2.89Å; G734-Q736 VanDerWaalsContact C-N 3.31Å; G734-Q736 PolarHBondContact O-N 3.24Å; G734-V737 VanDerWaalsContact O-CG1 3.28Å; G734-V737 WeakPolarHBondContact O-CG1 3.39Å; G734-V737 PolarHBondContact O-N 3.09Å | ||
| 735 | E | 89.8 | Confident | 92.6 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -65.9 | -26.8 | -173 | 178.8 | 170.9 | -164.5 | 0 | 0 | 114.3 | V737 T738 A792 | E735-V737 PolarHBondContact O-N 3.22Å; E735-T738 VanDerWaalsContact O-CB 3.32Å; E735-T738 WeakPolarHBondContact O-CB 3.47Å; E735-T738 VanDerWaalsContact O-CG2 3.24Å; E735-T738 WeakPolarHBondContact O-CG2 3.25Å; E735-T738 PolarHBondContact O-N 3.49Å; E735-T738 PolarHBondContact O-OG1 3.2Å; E735-A792 HydrophobicContact CB-CB 4.18Å; E735-A792 HydrophobicContact CG-CB 3.77Å |
| 736 | Q | 90.5 | Very high | 92.7 | Very high | 130 Ų | 130 | 56.9 Ų | 56.9 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.2 | -23.3 | -178.5 | -62 | -59.1 | -30.8 | 0 | 0 | 113.1 | G734 T738 K739 | G734-Q736 VanDerWaalsContact C-N 3.31Å; G734-Q736 PolarHBondContact O-N 3.24Å; Q736-T738 PolarHBondContact O-N 3.12Å; Q736-K739 PolarHBondContact O-N 3.41Å |
| 737 | V | 92.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -62 | -25.1 | 176.1 | 83.1 | 0 | 0 | 0 | 0 | 112.7 | A729 V730 N733 G734 E735 K739 Q740 I743 | A729-V737 HydrophobicContact CB-CG1 4.16Å; A729-V737 HydrophobicContact CB-CG2 4.26Å; V730-V737 HydrophobicContact CB-CG1 4.38Å; V730-V737 HydrophobicContact CG2-CG1 3.77Å; N733-V737 HydrophobicContact CB-CB 4.05Å; N733-V737 HydrophobicContact CB-CG2 4.18Å; G734-V737 VanDerWaalsContact O-CG1 3.28Å; G734-V737 WeakPolarHBondContact O-CG1 3.39Å; G734-V737 PolarHBondContact O-N 3.09Å; E735-V737 PolarHBondContact O-N 3.22Å; V737-K739 PolarHBondContact O-N 3.19Å; V737-K739 VanDerWaalsContact O-N 3.13Å; V737-Q740 HydrophobicContact CG2-CG 4.42Å; V737-Q740 WeakPolarHBondContact O-CB 3.35Å; V737-Q740 PolarHBondContact O-N 3.32Å; V737-I743 HydrophobicContact CG2-CG1 4.15Å; V737-I743 WeakPolarHBondContact O-CG1 3.37Å |
| 738 | T | 89.1 | Confident | 92.7 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -62.9 | -19.3 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | V730 E735 Q736 R744 | V730-T738 HydrophobicContact CG2-CG2 3.74Å; E735-T738 VanDerWaalsContact O-CB 3.32Å; E735-T738 WeakPolarHBondContact O-CB 3.47Å; E735-T738 VanDerWaalsContact O-CG2 3.24Å; E735-T738 WeakPolarHBondContact O-CG2 3.25Å; E735-T738 PolarHBondContact O-N 3.49Å; E735-T738 PolarHBondContact O-OG1 3.2Å; Q736-T738 PolarHBondContact O-N 3.12Å; T738-R744 WeakPolarHBondContact O-CG 3.36Å |
| 739 | K | 89.1 | Confident | 92.9 | Very high | 119 Ų | 119 | 52.5 Ų | 52.5 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -85.1 | -10.1 | 176.6 | -61.9 | 176.8 | -178.6 | 167 | 0 | 113.3 | Q736 V737 R744 | Q736-K739 PolarHBondContact O-N 3.41Å; V737-K739 PolarHBondContact O-N 3.19Å; V737-K739 VanDerWaalsContact O-N 3.13Å; K739-R744 PolarHBondContact O-NE 2.98Å |
| 740 | Q | 92.2 | Very high | 93 | Very high | 107 Ų | 107 | 51.8 Ų | 51.8 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72 | 143.2 | 179.4 | -66 | -176.2 | -1.8 | 0 | 0 | 111.1 | V737 L742 I743 R744 | V737-Q740 HydrophobicContact CG2-CG 4.42Å; V737-Q740 WeakPolarHBondContact O-CB 3.35Å; V737-Q740 PolarHBondContact O-N 3.32Å; Q740-L742 VanDerWaalsContact C-N 3.34Å; Q740-L742 PolarHBondContact O-N 2.99Å; Q740-I743 PolarHBondContact O-N 3.37Å; Q740-I743 VanDerWaalsContact O-N 3.17Å; Q740-R744 PolarHBondContact O-N 3.22Å |
| 741 | P | 92 | Very high | 93.1 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -52.4 | -45.5 | -176.7 | -29.2 | 35.4 | 0 | 0 | 0 | 114.1 | F680 I743 R744 S745 | F680-P741 HydrophobicContact CD2-CB 4.44Å; F680-P741 HydrophobicContact CE2-CB 3.77Å; F680-P741 HydrophobicContact CZ-CB 4.36Å; P741-I743 PolarHBondContact O-N 3.23Å; P741-R744 PolarHBondContact O-N 3.37Å; P741-S745 PolarHBondContact O-N 3.35Å; P741-S745 PolarHBondContact O-OG 3.18Å; P741-S745 VanDerWaalsContact O-OG 3.13Å |
| 742 | L | 94.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | -180 | -179.8 | 64.4 | 0 | 0 | 0 | 112.7 | R678 F680 V683 Q740 R744 S745 M746 | R678-L742 WeakPolarHBondContact O-CD1 3.29Å; R678-L742 VanDerWaalsContact O-CD2 3.26Å; R678-L742 WeakPolarHBondContact O-CD2 3.41Å; F680-L742 HydrophobicContact CB-CD1 4.18Å; F680-L742 HydrophobicContact CD2-CB 4.37Å; F680-L742 HydrophobicContact CD2-CD1 4.3Å; V683-L742 HydrophobicContact CG2-CD1 4.25Å; Q740-L742 VanDerWaalsContact C-N 3.34Å; Q740-L742 PolarHBondContact O-N 2.99Å; L742-R744 VanDerWaalsContact C-N 3.33Å; L742-R744 PolarHBondContact O-N 3.16Å; L742-S745 PolarHBondContact O-N 2.86Å; L742-M746 HydrophobicContact CD1-CE 3.96Å; L742-M746 HydrophobicContact CD2-CE 4.08Å; L742-M746 HydrophobicContact CG-CE 3.87Å; L742-M746 WeakPolarHBondContact O-CG 3.37Å; L742-M746 PolarHBondContact O-N 2.97Å |
| 743 | I | 94.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -37.4 | -179.9 | -57.9 | -55.4 | 0 | 0 | 0 | 110.8 | I726 A729 V737 Q740 P741 M746 R747 | I726-I743 HydrophobicContact CG1-CG2 4.29Å; I726-I743 HydrophobicContact CG2-CG2 4.21Å; A729-I743 HydrophobicContact CB-CD1 3.7Å; A729-I743 HydrophobicContact CB-CG1 4.44Å; V737-I743 HydrophobicContact CG2-CG1 4.15Å; V737-I743 WeakPolarHBondContact O-CG1 3.37Å; Q740-I743 PolarHBondContact O-N 3.37Å; Q740-I743 VanDerWaalsContact O-N 3.17Å; P741-I743 PolarHBondContact O-N 3.23Å; I743-M746 HydrophobicContact CD1-SD 4.11Å; I743-M746 PolarHBondContact O-N 3.4Å; I743-R747 WeakPolarHBondContact O-CG 3.47Å; I743-R747 PolarHBondContact O-N 3.02Å |
| 744 | R | 92.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 28% | 0.275 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.1 | -71.3 | -178.1 | 174 | 176.3 | -1 | 111.6 | H435 T738 K739 Q740 P741 L742 M746 R747 S748 | H435-R744 HydrophobicContact CB-CB 4.48Å; H435-R744 WeakPolarHBondContact O-CD 3.32Å; T738-R744 WeakPolarHBondContact O-CG 3.36Å; K739-R744 PolarHBondContact O-NE 2.98Å; Q740-R744 PolarHBondContact O-N 3.22Å; P741-R744 PolarHBondContact O-N 3.37Å; L742-R744 VanDerWaalsContact C-N 3.33Å; L742-R744 PolarHBondContact O-N 3.16Å; R744-M746 PolarHBondContact O-N 2.63Å; R744-R747 WeakPolarHBondContact O-CB 3.44Å; R744-R747 PolarHBondContact O-N 2.76Å; R744-R747 VanDerWaalsContact O-N 3.15Å; R744-S748 PolarHBondContact O-N 3.04Å; R744-S748 PolarHBondContact O-OG 3.49Å |
| 745 | S | 93.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 12% | 0.119 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | F680 V683 P741 L742 R747 S748 V749 | F680-S745 VanDerWaalsContact CE2-OG 3.24Å; F680-S745 WeakPolarHBondContact CE2-OG 3.37Å; V683-S745 VanDerWaalsContact CG1-C 3.44Å; P741-S745 PolarHBondContact O-N 3.35Å; P741-S745 PolarHBondContact O-OG 3.18Å; P741-S745 VanDerWaalsContact O-OG 3.13Å; L742-S745 PolarHBondContact O-N 2.86Å; S745-R747 VanDerWaalsContact C-N 3.32Å; S745-R747 PolarHBondContact O-N 3.5Å; S745-S748 WeakPolarHBondContact O-CB 3.28Å; S745-S748 PolarHBondContact O-N 2.86Å; S745-V749 WeakPolarHBondContact O-CG2 3.49Å; S745-V749 PolarHBondContact O-N 3.18Å |
| 746 | M | 95.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 173.3 | -69.7 | 179.1 | 174.5 | 0 | 0 | 111.7 | L677 R678 V683 M722 N725 I726 L742 I743 R744 V749 K750 | L677-M746 WeakPolarHBondContact O-CE 3.33Å; R678-M746 HydrophobicContact CB-CE 4.34Å; R678-M746 HydrophobicContact CG-CE 4.27Å; V683-M746 HydrophobicContact CG1-CB 4.48Å; V683-M746 HydrophobicContact CG1-CG 3.99Å; V683-M746 HydrophobicContact CG2-CE 4.42Å; V683-M746 HydrophobicContact CG2-CG 4.23Å; M722-M746 HydrophobicContact SD-CB 4.17Å; M722-M746 HydrophobicContact SD-CG 3.78Å; N725-M746 HydrophobicContact CB-CE 4.08Å; N725-M746 HydrophobicContact CB-SD 3.83Å; I726-M746 HydrophobicContact CD1-CB 3.79Å; I726-M746 HydrophobicContact CG1-CB 3.81Å; I726-M746 HydrophobicContact CG1-SD 4.25Å; L742-M746 HydrophobicContact CD1-CE 3.96Å; L742-M746 HydrophobicContact CD2-CE 4.08Å; L742-M746 HydrophobicContact CG-CE 3.87Å; L742-M746 WeakPolarHBondContact O-CG 3.37Å; L742-M746 PolarHBondContact O-N 2.97Å; I743-M746 HydrophobicContact CD1-SD 4.11Å; I743-M746 PolarHBondContact O-N 3.4Å; R744-M746 PolarHBondContact O-N 2.63Å; M746-V749 WeakPolarHBondContact O-CB 3.36Å; M746-V749 PolarHBondContact O-N 2.94Å; M746-K750 PolarHBondContact O-N 2.83Å; M746-K750 VanDerWaalsContact O-N 3.13Å |
| 747 | R | 94.5 | Very high | 94.6 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 11% | 0.109 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 172 | -72.2 | 177.4 | -178.4 | -109.8 | 0.7 | 111.9 | I726 I743 R744 S745 V749 K750 K751 A792 | I726-R747 HydrophobicContact CD1-CG 3.83Å; I743-R747 WeakPolarHBondContact O-CG 3.47Å; I743-R747 PolarHBondContact O-N 3.02Å; R744-R747 WeakPolarHBondContact O-CB 3.44Å; R744-R747 PolarHBondContact O-N 2.76Å; R744-R747 VanDerWaalsContact O-N 3.15Å; S745-R747 VanDerWaalsContact C-N 3.32Å; S745-R747 PolarHBondContact O-N 3.5Å; R747-V749 PolarHBondContact O-N 3.01Å; R747-K750 WeakPolarHBondContact O-CB 3.27Å; R747-K750 PolarHBondContact O-N 3.1Å; R747-K751 WeakPolarHBondContact O-CB 3.48Å; R747-K751 PolarHBondContact O-N 3.15Å; R747-A792 PolarHBondContact NH1-O 3.09Å; R747-A792 PolarHBondContact NH2-O 2.79Å |
| 748 | S | 94 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.7 | -36.8 | 173.9 | -63 | 0 | 0 | 0 | 0 | 112.1 | H435 E437 C687 R744 S745 A752 | H435-S748 WeakPolarHBondContact CB-OG 2.99Å; E437-S748 PolarHBondContact OE1-OG 2.69Å; C687-S748 VanDerWaalsContact SG-CB 3.55Å; R744-S748 PolarHBondContact O-N 3.04Å; R744-S748 PolarHBondContact O-OG 3.49Å; S745-S748 WeakPolarHBondContact O-CB 3.28Å; S745-S748 PolarHBondContact O-N 2.86Å; S748-A752 WeakPolarHBondContact O-CB 3.41Å; S748-A752 PolarHBondContact O-N 2.87Å |
| 749 | V | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 172.4 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V683 L686 C687 L690 V718 M722 S745 M746 R747 K751 A752 I753 | V683-V749 HydrophobicContact CG1-CG2 3.82Å; V683-V749 WeakPolarHBondContact O-CG2 3.31Å; L686-V749 HydrophobicContact CB-CG2 4.19Å; C687-V749 HydrophobicContact CB-CG2 3.79Å; L690-V749 HydrophobicContact CD1-CG1 3.75Å; V718-V749 HydrophobicContact CG1-CG1 4.03Å; M722-V749 HydrophobicContact CG-CB 4.35Å; M722-V749 HydrophobicContact CG-CG1 3.94Å; S745-V749 WeakPolarHBondContact O-CG2 3.49Å; S745-V749 PolarHBondContact O-N 3.18Å; M746-V749 WeakPolarHBondContact O-CB 3.36Å; M746-V749 PolarHBondContact O-N 2.94Å; R747-V749 PolarHBondContact O-N 3.01Å; V749-K751 PolarHBondContact O-N 3.38Å; V749-A752 PolarHBondContact O-N 2.87Å; V749-I753 HydrophobicContact CG1-CD1 4.15Å; V749-I753 WeakPolarHBondContact O-CG1 3.45Å; V749-I753 PolarHBondContact O-N 3.43Å; V749-I753 VanDerWaalsContact O-N 3.08Å |
| 750 | K | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 177 | -71.1 | -175.6 | 67.9 | 174.6 | 0 | 111.5 | Y719 M722 S723 I726 M746 R747 A752 I753 L754 D785 | Y719-K750 HydrophobicContact CD2-CB 4.03Å; Y719-K750 HydrophobicContact CD2-CG 3.95Å; Y719-K750 HydrophobicContact CE2-CB 3.75Å; Y719-K750 HydrophobicContact CE2-CD 4.31Å; Y719-K750 VanDerWaalsContact CE2-CE 3.48Å; Y719-K750 HydrophobicContact CE2-CG 3.89Å; Y719-K750 VanDerWaalsContact OH-CE 3.22Å; Y719-K750 WeakPolarHBondContact OH-CE 3.3Å; M722-K750 HydrophobicContact CB-CG 4.06Å; S723-K750 PolarHBondContact OG-NZ 3.17Å; I726-K750 HydrophobicContact CD1-CD 3.64Å; I726-K750 HydrophobicContact CD1-CG 4.43Å; M746-K750 PolarHBondContact O-N 2.83Å; M746-K750 VanDerWaalsContact O-N 3.13Å; R747-K750 WeakPolarHBondContact O-CB 3.27Å; R747-K750 PolarHBondContact O-N 3.1Å; K750-A752 PolarHBondContact O-N 3.22Å; K750-I753 WeakPolarHBondContact O-CB 3.32Å; K750-I753 PolarHBondContact O-N 3.02Å; K750-L754 WeakPolarHBondContact O-CG 3.11Å; K750-L754 PolarHBondContact O-N 2.78Å; K750-D785 IonicContact NZ-OD2 3.54Å; K750-D785 PolarHBondContact NZ-OD2 3.44Å |
| 751 | K | 95.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 18.9 Ų | 18.9 | 16% | 0.157 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.9 | -172.4 | 167.7 | 179.3 | 144.2 | 0 | 112 | E434 H435 R747 V749 I753 L754 N755 E797 | E434-K751 IonicContact OE2-NZ 3.59Å; H435-K751 WeakPolarHBondContact NE2-CD 3.42Å; R747-K751 WeakPolarHBondContact O-CB 3.48Å; R747-K751 PolarHBondContact O-N 3.15Å; V749-K751 PolarHBondContact O-N 3.38Å; K751-I753 PolarHBondContact O-N 3.25Å; K751-L754 PolarHBondContact O-N 3.45Å; K751-N755 VanDerWaalsContact O-CB 3.27Å; K751-N755 WeakPolarHBondContact O-CB 3.23Å; K751-N755 VanDerWaalsContact O-CG 3.25Å; K751-N755 PolarHBondContact O-N 3Å; K751-N755 PolarHBondContact O-ND2 2.78Å; K751-E797 HydrophobicContact CD-CG 4.49Å; K751-E797 WeakPolarHBondContact CD-OE1 3.45Å; K751-E797 WeakPolarHBondContact CE-OE1 3.13Å; K751-E797 HydrophobicContact CG-CG 4.04Å; K751-E797 IonicContact NZ-OE1 3.73Å; K751-E797 PolarHBondContact NZ-OE1 2.91Å |
| 752 | A | 95.7 | Very high | 96 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L690 K691 S748 V749 K750 L756 | L690-A752 HydrophobicContact CB-CB 3.76Å; L690-A752 HydrophobicContact CD1-CB 4.45Å; K691-A752 HydrophobicContact CG-CB 4.38Å; S748-A752 WeakPolarHBondContact O-CB 3.41Å; S748-A752 PolarHBondContact O-N 2.87Å; V749-A752 PolarHBondContact O-N 2.87Å; K750-A752 PolarHBondContact O-N 3.22Å; A752-L756 VanDerWaalsContact O-CB 3.3Å; A752-L756 WeakPolarHBondContact O-CB 3.24Å; A752-L756 PolarHBondContact O-N 3.07Å |
| 753 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -49.7 | 174.9 | -66.2 | 171.5 | 0 | 0 | 0 | 110.7 | L690 M715 Y719 V749 K750 K751 N755 L756 L757 | L690-I753 HydrophobicContact CD1-CD1 4.04Å; L690-I753 HydrophobicContact CD1-CG1 3.59Å; L690-I753 HydrophobicContact CD2-CG1 3.88Å; L690-I753 HydrophobicContact CG-CG1 4.34Å; M715-I753 HydrophobicContact CE-CG2 4.07Å; M715-I753 HydrophobicContact CG-CB 4.23Å; M715-I753 HydrophobicContact CG-CD1 3.76Å; M715-I753 HydrophobicContact CG-CG1 3.6Å; M715-I753 HydrophobicContact CG-CG2 3.72Å; M715-I753 WeakPolarHBondContact O-CD1 3.33Å; M715-I753 HydrophobicContact SD-CB 4.3Å; M715-I753 HydrophobicContact SD-CG1 4.03Å; M715-I753 HydrophobicContact SD-CG2 3.85Å; Y719-I753 HydrophobicContact CD2-CB 4.35Å; Y719-I753 HydrophobicContact CD2-CD1 4.33Å; Y719-I753 HydrophobicContact CD2-CG2 4.25Å; V749-I753 HydrophobicContact CG1-CD1 4.15Å; V749-I753 WeakPolarHBondContact O-CG1 3.45Å; V749-I753 PolarHBondContact O-N 3.43Å; V749-I753 VanDerWaalsContact O-N 3.08Å; K750-I753 WeakPolarHBondContact O-CB 3.32Å; K750-I753 PolarHBondContact O-N 3.02Å; K751-I753 PolarHBondContact O-N 3.25Å; I753-N755 VanDerWaalsContact C-N 3.33Å; I753-N755 PolarHBondContact O-N 2.78Å; I753-L756 PolarHBondContact O-N 2.85Å; I753-L757 HydrophobicContact CG2-CD1 4Å; I753-L757 WeakPolarHBondContact O-CG 3.41Å; I753-L757 PolarHBondContact O-N 3.45Å |
| 754 | L | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | -179.4 | -63.7 | 171.9 | 0 | 0 | 0 | 111.6 | Y719 K750 K751 L757 S758 V782 E795 E797 V798 L801 | Y719-L754 HydrophobicContact CE2-CD1 4.06Å; Y719-L754 HydrophobicContact CE2-CD2 3.94Å; Y719-L754 HydrophobicContact CE2-CG 3.92Å; K750-L754 WeakPolarHBondContact O-CG 3.11Å; K750-L754 PolarHBondContact O-N 2.78Å; K751-L754 PolarHBondContact O-N 3.45Å; L754-L757 PolarHBondContact O-N 2.83Å; L754-S758 WeakPolarHBondContact O-CB 3.24Å; L754-S758 PolarHBondContact O-N 3.43Å; L754-V782 HydrophobicContact CD2-CG1 3.76Å; L754-V782 HydrophobicContact CD2-CG2 4.22Å; L754-E795 HydrophobicContact CD1-CB 4.36Å; L754-E795 HydrophobicContact CD1-CG 3.85Å; L754-E797 HydrophobicContact CB-CB 4.11Å; L754-E797 HydrophobicContact CD1-CB 3.75Å; L754-V798 HydrophobicContact CD1-CG2 3.76Å; L754-V798 HydrophobicContact CD2-CG2 4.25Å; L754-L801 HydrophobicContact CD2-CD2 3.56Å |
| 755 | N | 96.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 31% | 0.31 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.8 | -77.8 | -27.2 | 0 | 0 | 0 | 112.6 | H694 K751 I753 C759 | H694-N755 PolarHBondContact CE1-O 3.44Å; H694-N755 PolarHBondContact ND1-O 3.42Å; K751-N755 VanDerWaalsContact O-CB 3.27Å; K751-N755 WeakPolarHBondContact O-CB 3.23Å; K751-N755 VanDerWaalsContact O-CG 3.25Å; K751-N755 PolarHBondContact O-N 3Å; K751-N755 PolarHBondContact O-ND2 2.78Å; I753-N755 VanDerWaalsContact C-N 3.33Å; I753-N755 PolarHBondContact O-N 2.78Å; N755-C759 WeakPolarHBondContact O-CB 3.47Å; N755-C759 PolarHBondContact O-N 3.38Å |
| 756 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.3 | 171.9 | 60 | 0 | 0 | 0 | 111.1 | L690 N693 H694 C697 Y704 M715 A752 I753 C759 W760 | L690-L756 HydrophobicContact CD2-CD2 4.49Å; N693-L756 HydrophobicContact CB-CD1 4.32Å; N693-L756 HydrophobicContact CB-CD2 3.85Å; H694-L756 HydrophobicContact CB-CB 4.4Å; H694-L756 HydrophobicContact CB-CD1 4.43Å; C697-L756 HydrophobicContact CB-CD1 3.56Å; Y704-L756 HydrophobicContact CE1-CD1 3.65Å; Y704-L756 HydrophobicContact CE1-CG 4.38Å; M715-L756 HydrophobicContact CE-CD2 4.49Å; M715-L756 HydrophobicContact SD-CD2 3.76Å; A752-L756 VanDerWaalsContact O-CB 3.3Å; A752-L756 WeakPolarHBondContact O-CB 3.24Å; A752-L756 PolarHBondContact O-N 3.07Å; I753-L756 PolarHBondContact O-N 2.85Å; L756-C759 WeakPolarHBondContact O-CB 3.35Å; L756-C759 PolarHBondContact O-N 3.2Å; L756-W760 PolarHBondContact O-N 3.4Å |
| 757 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 178.7 | -69 | 174 | 0 | 0 | 0 | 111.7 | L708 Y712 M715 L716 I753 L754 C759 W760 I761 L778 L801 | L708-L757 HydrophobicContact CD1-CD2 4.06Å; Y712-L757 HydrophobicContact CD2-CD2 4Å; Y712-L757 HydrophobicContact CE2-CD2 3.63Å; M715-L757 HydrophobicContact CE-CD1 4.17Å; M715-L757 HydrophobicContact CE-CD2 3.63Å; M715-L757 HydrophobicContact CE-CG 3.87Å; L716-L757 HydrophobicContact CD2-CD1 4.38Å; I753-L757 HydrophobicContact CG2-CD1 4Å; I753-L757 WeakPolarHBondContact O-CG 3.41Å; I753-L757 PolarHBondContact O-N 3.45Å; L754-L757 PolarHBondContact O-N 2.83Å; L757-C759 VanDerWaalsContact C-N 3.28Å; L757-C759 PolarHBondContact O-N 2.65Å; L757-W760 PolarHBondContact O-N 3.15Å; L757-I761 HydrophobicContact CB-CD1 4.44Å; L757-I761 WeakPolarHBondContact O-CB 3.26Å; L757-I761 WeakPolarHBondContact O-CD1 3.41Å; L757-I761 WeakPolarHBondContact O-CG1 3.4Å; L757-I761 PolarHBondContact O-N 2.98Å; L757-L778 HydrophobicContact CD1-CD1 3.59Å; L757-L801 HydrophobicContact CB-CD1 4.16Å; L757-L801 HydrophobicContact CB-CD2 4.45Å |
| 758 | S | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | L754 W760 I761 K762 T804 | L754-S758 WeakPolarHBondContact O-CB 3.24Å; L754-S758 PolarHBondContact O-N 3.43Å; S758-W760 PolarHBondContact O-N 3.04Å; S758-I761 PolarHBondContact O-N 3.47Å; S758-K762 WeakPolarHBondContact O-CB 3.44Å; S758-K762 VanDerWaalsContact O-CG 3.28Å; S758-K762 WeakPolarHBondContact O-CG 3.24Å; S758-K762 PolarHBondContact O-N 2.91Å; S758-K762 WeakPolarHBondContact OG-CE 3.49Å; S758-K762 PolarHBondContact OG-NZ 3.38Å; S758-T804 PolarHBondContact OG-OG1 3.03Å; S758-T804 VanDerWaalsContact OG-OG1 3.08Å |
| 759 | C | 97.5 | Very high | 96.3 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 179.3 | 179 | 0 | 0 | 0 | 0 | 112.5 | K698 N755 L756 L757 R763 | K698-C759 VanDerWaalsContact CG-SG 3.56Å; N755-C759 WeakPolarHBondContact O-CB 3.47Å; N755-C759 PolarHBondContact O-N 3.38Å; L756-C759 WeakPolarHBondContact O-CB 3.35Å; L756-C759 PolarHBondContact O-N 3.2Å; L757-C759 VanDerWaalsContact C-N 3.28Å; L757-C759 PolarHBondContact O-N 2.65Å; C759-R763 WeakPolarHBondContact O-CG 3.15Å; C759-R763 PolarHBondContact O-NH1 2.98Å; C759-R763 PolarHBondContact SG-NH1 3.44Å |
| 760 | W | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.2 | -45.2 | 177.9 | 179.6 | 73.4 | 0 | 0 | 0 | 112.2 | H702 Y704 L705 L708 L756 L757 S758 K762 R763 T764 F769 V770 I774 | H702-W760 PolarHBondContact O-NE1 3.39Å; Y704-W760 HydrophobicContact CD1-CB 4.47Å; Y704-W760 AromaticContact CD1-CD1 3.91Å; Y704-W760 HydrophobicContact CD1-CG 4.3Å; L705-W760 HydrophobicContact CB-CZ2 4.2Å; L705-W760 HydrophobicContact CD1-CH2 4.3Å; L705-W760 HydrophobicContact CD1-CZ2 3.81Å; L705-W760 HydrophobicContact CG-CZ2 4.44Å; L708-W760 HydrophobicContact CD2-CB 4.49Å; L708-W760 HydrophobicContact CD2-CD2 3.43Å; L708-W760 VanDerWaalsContact CD2-CD2 3.43Å; L708-W760 HydrophobicContact CD2-CE3 3.42Å; L708-W760 VanDerWaalsContact CD2-CE3 3.42Å; L708-W760 HydrophobicContact CD2-CG 3.91Å; L708-W760 HydrophobicContact CD2-CH2 4.27Å; L708-W760 HydrophobicContact CD2-CZ2 4.29Å; L708-W760 HydrophobicContact CD2-CZ3 3.86Å; L756-W760 PolarHBondContact O-N 3.4Å; L757-W760 PolarHBondContact O-N 3.15Å; S758-W760 PolarHBondContact O-N 3.04Å; W760-K762 PolarHBondContact O-N 3.38Å; W760-R763 CarbonylContact O-C 3.57Å; W760-R763 WeakPolarHBondContact O-CA 3.41Å; W760-R763 PolarHBondContact O-N 3.19Å; W760-T764 HydrophobicContact CH2-CG2 4.43Å; W760-T764 PolarHBondContact O-N 3.09Å; W760-F769 HydrophobicContact CH2-CD1 4.16Å; W760-F769 HydrophobicContact CH2-CE1 4.09Å; W760-V770 HydrophobicContact CH2-CG2 3.77Å; W760-V770 HydrophobicContact CZ3-CG2 3.8Å; W760-I774 HydrophobicContact CH2-CG1 4.06Å; W760-I774 HydrophobicContact CZ3-CG1 3.93Å; W760-I774 HydrophobicContact CZ3-CG2 4.37Å |
| 761 | I | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -36.8 | 179.4 | -68.8 | 160.2 | 0 | 0 | 0 | 111.3 | L757 S758 R763 L801 T804 L805 R808 | L757-I761 HydrophobicContact CB-CD1 4.44Å; L757-I761 WeakPolarHBondContact O-CB 3.26Å; L757-I761 WeakPolarHBondContact O-CD1 3.41Å; L757-I761 WeakPolarHBondContact O-CG1 3.4Å; L757-I761 PolarHBondContact O-N 2.98Å; S758-I761 PolarHBondContact O-N 3.47Å; I761-R763 PolarHBondContact O-N 2.93Å; I761-L801 HydrophobicContact CD1-CD1 3.82Å; I761-T804 HydrophobicContact CB-CG2 4.29Å; I761-T804 HydrophobicContact CG2-CG2 3.98Å; I761-L805 HydrophobicContact CD1-CD2 3.69Å; I761-L805 HydrophobicContact CD1-CG 4.2Å; I761-L805 HydrophobicContact CG1-CD2 4.44Å; I761-L805 HydrophobicContact CG2-CD2 4.16Å; I761-R808 HydrophobicContact CG2-CB 4Å; I761-R808 HydrophobicContact CG2-CG 4.12Å; I761-R808 PolarHBondContact O-NE 3.41Å |
| 762 | K | 96.3 | Very high | 96.1 | Very high | 106 Ų | 106 | 37.5 Ų | 37.5 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.7 | -26.7 | 173.5 | -74.9 | 173 | -177.6 | 170.9 | 0 | 113.5 | S758 W760 T804 R808 | S758-K762 WeakPolarHBondContact O-CB 3.44Å; S758-K762 VanDerWaalsContact O-CG 3.28Å; S758-K762 WeakPolarHBondContact O-CG 3.24Å; S758-K762 PolarHBondContact O-N 2.91Å; S758-K762 WeakPolarHBondContact OG-CE 3.49Å; S758-K762 PolarHBondContact OG-NZ 3.38Å; W760-K762 PolarHBondContact O-N 3.38Å; K762-T804 HydrophobicContact CD-CG2 4.13Å; K762-T804 VanDerWaalsContact CE-OG1 3.22Å; K762-T804 WeakPolarHBondContact CE-OG1 3.33Å; K762-T804 HydrophobicContact CG-CG2 3.5Å; K762-T804 VanDerWaalsContact CG-CG2 3.5Å; K762-R808 PolarHBondContact O-NE 3.26Å |
| 763 | R | 95 | Very high | 96.1 | Very high | 101 Ų | 101 | 41 Ų | 41 | 38% | 0.381 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -108.5 | -15.5 | -170.6 | -69.6 | 175.3 | 175.7 | 66.3 | 1.9 | 114.4 | K698 C759 W760 I761 | K698-R763 PolarHBondContact O-NE 2.89Å; K698-R763 VanDerWaalsContact O-NE 3.08Å; C759-R763 WeakPolarHBondContact O-CG 3.15Å; C759-R763 PolarHBondContact O-NH1 2.98Å; C759-R763 PolarHBondContact SG-NH1 3.44Å; W760-R763 CarbonylContact O-C 3.57Å; W760-R763 WeakPolarHBondContact O-CA 3.41Å; W760-R763 PolarHBondContact O-N 3.19Å; I761-R763 PolarHBondContact O-N 2.93Å |
| 764 | T | 94.8 | Very high | 96 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -69.7 | 145 | 177.4 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | H702 W760 V770 R808 | H702-T764 PolarHBondContact ND1-OG1 3.35Å; W760-T764 HydrophobicContact CH2-CG2 4.43Å; W760-T764 PolarHBondContact O-N 3.09Å; T764-V770 HydrophobicContact CG2-CG2 3.64Å; T764-R808 PolarHBondContact O-NH2 3.1Å | ||
| 765 | T | 94 | Very high | 95.9 | Very high | 109 Ų | 109 | 41.6 Ų | 41.6 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -99.4 | -0.3 | 179.4 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | P767 | T765-P767 WeakPolarHBondContact O-CD 3.28Š|
| 766 | D | 95 | Very high | 95.9 | Very high | 67 Ų | 67 | 41.5 Ų | 41.5 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | trans | -119.3 | 87.3 | -177.6 | -169.4 | -15.8 | 0 | 0 | 0 | 111.3 | V768 F769 V770 | D766-V768 VanDerWaalsContact C-N 3.33Å; D766-V768 PolarHBondContact OD1-N 3.43Å; D766-F769 HydrophobicContact CB-CB 4.04Å; D766-F769 WeakPolarHBondContact OD1-CB 3.44Å; D766-F769 PolarHBondContact OD1-N 3.18Å; D766-F769 WeakPolarHBondContact OD2-CB 3.41Å; D766-V770 WeakPolarHBondContact O-CG2 3.42Å; D766-V770 PolarHBondContact O-N 3.44Å | ||
| 767 | P | 94.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -29.3 | 179.4 | 26.9 | -33.5 | 0 | 0 | 0 | 112.9 | T765 V770 A771 L809 | T765-P767 WeakPolarHBondContact O-CD 3.28Å; P767-V770 PolarHBondContact O-N 2.91Å; P767-A771 WeakPolarHBondContact O-CB 3.34Å; P767-A771 PolarHBondContact O-N 3.15Å; P767-L809 HydrophobicContact CB-CD2 3.85Å; P767-L809 VanDerWaalsContact O-CD2 3.27Å; P767-L809 WeakPolarHBondContact O-CD2 3.28Å |
| 768 | V | 95.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -47.3 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | D766 V770 A771 E772 | D766-V768 VanDerWaalsContact C-N 3.33Å; D766-V768 PolarHBondContact OD1-N 3.43Å; V768-V770 VanDerWaalsContact C-N 3.25Å; V768-V770 PolarHBondContact O-N 2.85Å; V768-A771 PolarHBondContact O-N 3.01Å; V768-A771 VanDerWaalsContact O-N 3.14Å; V768-E772 HydrophobicContact CG1-CG 4.37Å; V768-E772 PolarHBondContact O-N 2.81Å |
| 769 | F | 95.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 43 Ų | 43 | 25% | 0.254 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.2 | -42.1 | 175.4 | 175.6 | -93.4 | 0 | 0 | 0 | 112.2 | L705 W760 D766 N773 I774 | L705-F769 HydrophobicContact CD1-CE1 3.58Å; L705-F769 HydrophobicContact CD1-CZ 3.85Å; L705-F769 HydrophobicContact CD2-CE1 4.21Å; L705-F769 HydrophobicContact CD2-CZ 4.36Å; W760-F769 HydrophobicContact CH2-CD1 4.16Å; W760-F769 HydrophobicContact CH2-CE1 4.09Å; D766-F769 HydrophobicContact CB-CB 4.04Å; D766-F769 WeakPolarHBondContact OD1-CB 3.44Å; D766-F769 PolarHBondContact OD1-N 3.18Å; D766-F769 WeakPolarHBondContact OD2-CB 3.41Å; F769-N773 HydrophobicContact CD2-CB 4.35Å; F769-N773 WeakPolarHBondContact CD2-ND2 3.36Å; F769-N773 HydrophobicContact CE2-CB 4.02Å; F769-N773 HydrophobicContact CZ-CB 4.13Å; F769-N773 WeakPolarHBondContact O-CB 3.31Å; F769-N773 PolarHBondContact O-N 3.29Å; F769-N773 PolarHBondContact O-ND2 3.36Å; F769-N773 VanDerWaalsContact O-ND2 3.15Å; F769-I774 HydrophobicContact CD1-CG1 4.27Å; F769-I774 HydrophobicContact CE1-CD1 3.96Å; F769-I774 HydrophobicContact CE1-CG1 3.85Å; F769-I774 HydrophobicContact CZ-CD1 4.47Å |
| 770 | V | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -64 | -46.7 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | W760 T764 D766 P767 V768 E772 I774 L775 L805 L809 | W760-V770 HydrophobicContact CH2-CG2 3.77Å; W760-V770 HydrophobicContact CZ3-CG2 3.8Å; T764-V770 HydrophobicContact CG2-CG2 3.64Å; D766-V770 WeakPolarHBondContact O-CG2 3.42Å; D766-V770 PolarHBondContact O-N 3.44Å; P767-V770 PolarHBondContact O-N 2.91Å; V768-V770 VanDerWaalsContact C-N 3.25Å; V768-V770 PolarHBondContact O-N 2.85Å; V770-E772 VanDerWaalsContact C-N 3.33Å; V770-E772 PolarHBondContact O-N 2.94Å; V770-I774 HydrophobicContact CG1-CB 4.22Å; V770-I774 HydrophobicContact CG1-CG2 4.47Å; V770-I774 WeakPolarHBondContact O-CB 3.43Å; V770-I774 PolarHBondContact O-N 2.97Å; V770-I774 VanDerWaalsContact O-N 3.14Å; V770-L775 WeakPolarHBondContact O-CB 3.39Å; V770-L775 PolarHBondContact O-N 3.2Å; V770-L805 HydrophobicContact CG1-CD2 4.21Å; V770-L809 HydrophobicContact CB-CD2 3.85Å; V770-L809 HydrophobicContact CG1-CD1 4.23Å; V770-L809 HydrophobicContact CG1-CD2 3.83Å; V770-L809 HydrophobicContact CG1-CG 4.46Å |
| 771 | A | 95 | Very high | 95.3 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -62.4 | -38.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P767 V768 H812 | P767-A771 WeakPolarHBondContact O-CB 3.34Å; P767-A771 PolarHBondContact O-N 3.15Å; V768-A771 PolarHBondContact O-N 3.01Å; V768-A771 VanDerWaalsContact O-N 3.14Å; A771-H812 HydrophobicContact CB-CB 4.22Å |
| 772 | E | 94.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 46.2 Ų | 46.2 | 63% | 0.626 | 24% | 0.244 | S | C | * | . | I | π-helix | trans | -86.1 | -37.6 | -175.2 | -67.4 | -178.1 | 168.4 | 0 | 0 | 113.8 | V768 V770 | V768-E772 HydrophobicContact CG1-CG 4.37Å; V768-E772 PolarHBondContact O-N 2.81Å; V770-E772 VanDerWaalsContact C-N 3.33Å; V770-E772 PolarHBondContact O-N 2.94Å |
| 773 | N | 94.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -112.6 | -33.3 | -167.5 | -57.9 | -81 | 0 | 0 | 0 | 113.8 | F769 | F769-N773 HydrophobicContact CD2-CB 4.35Å; F769-N773 WeakPolarHBondContact CD2-ND2 3.36Å; F769-N773 HydrophobicContact CE2-CB 4.02Å; F769-N773 HydrophobicContact CZ-CB 4.13Å; F769-N773 WeakPolarHBondContact O-CB 3.31Å; F769-N773 PolarHBondContact O-N 3.29Å; F769-N773 PolarHBondContact O-ND2 3.36Å; F769-N773 VanDerWaalsContact O-ND2 3.15Å |
| 774 | I | 96.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -93.9 | -47.6 | -175.9 | -58 | -57.4 | 0 | 0 | 0 | 110.3 | Y712 W760 F769 V770 P777 L778 | Y712-I774 HydrophobicContact CD1-CD1 4.2Å; Y712-I774 HydrophobicContact CE1-CD1 3.97Å; Y712-I774 HydrophobicContact CE1-CG2 4.45Å; Y712-I774 HydrophobicContact CE2-CG2 4.12Å; Y712-I774 VanDerWaalsContact OH-CG2 3.28Å; Y712-I774 WeakPolarHBondContact OH-CG2 3.4Å; Y712-I774 PolarHBondContact OH-O 2.98Å; W760-I774 HydrophobicContact CH2-CG1 4.06Å; W760-I774 HydrophobicContact CZ3-CG1 3.93Å; W760-I774 HydrophobicContact CZ3-CG2 4.37Å; F769-I774 HydrophobicContact CD1-CG1 4.27Å; F769-I774 HydrophobicContact CE1-CD1 3.96Å; F769-I774 HydrophobicContact CE1-CG1 3.85Å; F769-I774 HydrophobicContact CZ-CD1 4.47Å; V770-I774 HydrophobicContact CG1-CB 4.22Å; V770-I774 HydrophobicContact CG1-CG2 4.47Å; V770-I774 WeakPolarHBondContact O-CB 3.43Å; V770-I774 PolarHBondContact O-N 2.97Å; V770-I774 VanDerWaalsContact O-N 3.14Å; I774-P777 WeakPolarHBondContact O-CD 3.47Å; I774-L778 WeakPolarHBondContact O-CB 3.47Å; I774-L778 PolarHBondContact O-N 2.88Å |
| 775 | L | 95.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | -171.6 | -177.2 | 62.9 | 0 | 0 | 0 | 113.7 | V770 L778 L779 L805 L809 I813 A816 | V770-L775 WeakPolarHBondContact O-CB 3.39Å; V770-L775 PolarHBondContact O-N 3.2Å; L775-L778 WeakPolarHBondContact O-CB 3.31Å; L775-L778 PolarHBondContact O-N 2.9Å; L775-L779 HydrophobicContact CD1-CD1 4.02Å; L775-L779 HydrophobicContact CD1-CD2 3.96Å; L775-L779 HydrophobicContact CD1-CG 3.82Å; L775-L779 HydrophobicContact CG-CD1 4.05Å; L775-L779 HydrophobicContact CG-CG 4.22Å; L775-L779 WeakPolarHBondContact O-CG 3.22Å; L775-L779 PolarHBondContact O-N 3.03Å; L775-L805 HydrophobicContact CD1-CD1 3.86Å; L775-L805 HydrophobicContact CD1-CD2 4.16Å; L775-L809 HydrophobicContact CD2-CD1 4.1Å; L775-I813 HydrophobicContact CD2-CG1 4Å; L775-A816 HydrophobicContact CD2-CB 3.69Å; L775-A816 HydrophobicContact CG-CB 4.48Å |
| 776 | P | 95.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 34 Ų | 34 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -50.1 | -175.1 | -17.1 | 29 | 0 | 0 | 0 | 113.4 | L778 L779 D780 | P776-L778 VanDerWaalsContact C-N 3.26Å; P776-L778 PolarHBondContact O-N 2.91Å; P776-L779 PolarHBondContact O-N 2.74Å; P776-D780 PolarHBondContact O-N 3.35Å |
| 777 | P | 95.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -33.5 | 174.3 | -23.6 | 34.1 | 0 | 0 | 0 | 113.5 | Y712 L713 L716 I774 A781 | Y712-P777 HydrophobicContact CE1-CB 4.17Å; Y712-P777 HydrophobicContact CE1-CG 4.41Å; L713-P777 HydrophobicContact CD2-CB 4.34Å; L716-P777 HydrophobicContact CD1-CB 3.75Å; I774-P777 WeakPolarHBondContact O-CD 3.47Å; P777-A781 WeakPolarHBondContact O-CB 3.46Å; P777-A781 PolarHBondContact O-N 3.23Å; P777-A781 VanDerWaalsContact O-N 3.09Å |
| 778 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -46.2 | 178.6 | -175.9 | 58.4 | 0 | 0 | 0 | 111.6 | Y712 L716 L757 I774 L775 P776 A781 V782 L801 L805 | Y712-L778 WeakPolarHBondContact OH-CB 3.46Å; L716-L778 HydrophobicContact CD2-CD1 3.99Å; L757-L778 HydrophobicContact CD1-CD1 3.59Å; I774-L778 WeakPolarHBondContact O-CB 3.47Å; I774-L778 PolarHBondContact O-N 2.88Å; L775-L778 WeakPolarHBondContact O-CB 3.31Å; L775-L778 PolarHBondContact O-N 2.9Å; P776-L778 VanDerWaalsContact C-N 3.26Å; P776-L778 PolarHBondContact O-N 2.91Å; L778-A781 PolarHBondContact O-N 3.39Å; L778-V782 HydrophobicContact CD1-CB 4.26Å; L778-V782 HydrophobicContact CD1-CG2 3.63Å; L778-V782 WeakPolarHBondContact O-CB 3.37Å; L778-V782 PolarHBondContact O-N 2.88Å; L778-L801 HydrophobicContact CD1-CD2 4.17Å; L778-L801 HydrophobicContact CD2-CD2 4.13Å; L778-L805 HydrophobicContact CD2-CD1 3.87Å |
| 779 | L | 95.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -64.3 | -42.5 | 178.8 | -64 | -176.9 | 0 | 0 | 0 | 111.4 | L775 P776 A781 A783 D784 M802 A816 V820 | L775-L779 HydrophobicContact CD1-CD1 4.02Å; L775-L779 HydrophobicContact CD1-CD2 3.96Å; L775-L779 HydrophobicContact CD1-CG 3.82Å; L775-L779 HydrophobicContact CG-CD1 4.05Å; L775-L779 HydrophobicContact CG-CG 4.22Å; L775-L779 WeakPolarHBondContact O-CG 3.22Å; L775-L779 PolarHBondContact O-N 3.03Å; P776-L779 PolarHBondContact O-N 2.74Å; L779-A781 PolarHBondContact O-N 2.92Å; L779-A783 HydrophobicContact CB-CB 4.33Å; L779-A783 HydrophobicContact CD2-CB 3.96Å; L779-A783 WeakPolarHBondContact O-CB 3.16Å; L779-A783 PolarHBondContact O-N 3.24Å; L779-D784 PolarHBondContact O-N 2.86Å; L779-M802 HydrophobicContact CD2-CE 3.92Å; L779-M802 HydrophobicContact CD2-SD 3.98Å; L779-A816 HydrophobicContact CD1-CB 4.06Å; L779-V820 HydrophobicContact CD1-CG2 4.14Å; L779-V820 HydrophobicContact CD2-CG2 3.72Å |
| 780 | D | 93.8 | Very high | 94.6 | Very high | 78 Ų | 78 | 40 Ų | 40 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -59.6 | -32.5 | 175.2 | -67.2 | -7 | 0 | 0 | 0 | 112.7 | P776 R819 | P776-D780 PolarHBondContact O-N 3.35Å; D780-R819 IonicContact OD1-CZ 3.19Å; D780-R819 IonicContact OD1-NH1 2.69Å; D780-R819 PolarHBondContact OD1-NH1 3.31Å; D780-R819 IonicContact OD1-NH2 2.87Å; D780-R819 PolarHBondContact OD1-NH2 3.43Å |
| 781 | A | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -91.7 | -34.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L716 Y719 K720 P777 L778 L779 D785 | L716-A781 HydrophobicContact CB-CB 3.93Å; L716-A781 HydrophobicContact CD1-CB 4.2Å; L716-A781 HydrophobicContact CD2-CB 3.99Å; L716-A781 HydrophobicContact CG-CB 4.26Å; Y719-A781 WeakPolarHBondContact CE1-O 3.4Å; K720-A781 HydrophobicContact CD-CB 4.39Å; K720-A781 VanDerWaalsContact CE-CB 3.46Å; K720-A781 HydrophobicContact CG-CB 4.24Å; P777-A781 WeakPolarHBondContact O-CB 3.46Å; P777-A781 PolarHBondContact O-N 3.23Å; P777-A781 VanDerWaalsContact O-N 3.09Å; L778-A781 PolarHBondContact O-N 3.39Å; L779-A781 PolarHBondContact O-N 2.92Å; A781-D785 WeakPolarHBondContact O-CB 3.38Å |
| 782 | V | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -114.5 | -48.1 | -167.8 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | Y719 L754 L778 Y786 V798 M802 | Y719-V782 HydrophobicContact CD1-CG2 4.04Å; Y719-V782 HydrophobicContact CE1-CB 4.26Å; Y719-V782 HydrophobicContact CE1-CG1 4.4Å; Y719-V782 HydrophobicContact CE1-CG2 3.81Å; Y719-V782 HydrophobicContact CE2-CG2 4.4Å; Y719-V782 HydrophobicContact CG-CG2 4.46Å; L754-V782 HydrophobicContact CD2-CG1 3.76Å; L754-V782 HydrophobicContact CD2-CG2 4.22Å; L778-V782 HydrophobicContact CD1-CB 4.26Å; L778-V782 HydrophobicContact CD1-CG2 3.63Å; L778-V782 WeakPolarHBondContact O-CB 3.37Å; L778-V782 PolarHBondContact O-N 2.88Å; V782-Y786 WeakPolarHBondContact O-CB 3.49Å; V782-Y786 PolarHBondContact O-N 2.8Å; V782-V798 HydrophobicContact CG1-CB 4.2Å; V782-V798 HydrophobicContact CG1-CG1 3.7Å; V782-V798 HydrophobicContact CG1-CG2 3.57Å; V782-M802 HydrophobicContact CG1-CE 4.38Å |
| 783 | A | 92.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -70.3 | -50.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L779 D785 Y786 Q787 M802 A823 | L779-A783 HydrophobicContact CB-CB 4.33Å; L779-A783 HydrophobicContact CD2-CB 3.96Å; L779-A783 WeakPolarHBondContact O-CB 3.16Å; L779-A783 PolarHBondContact O-N 3.24Å; A783-D785 PolarHBondContact O-N 2.91Å; A783-Y786 PolarHBondContact O-N 3Å; A783-Q787 PolarHBondContact O-N 3.42Å; A783-Q787 VanDerWaalsContact O-N 3.12Å; A783-M802 HydrophobicContact CB-CE 3.93Å; A783-A823 HydrophobicContact CB-CB 3.78Å |
| 784 | D | 90.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 21% | 0.214 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -32.4 | 178.7 | -64.2 | -1.3 | 0 | 0 | 0 | 111.8 | L779 K788 R819 | L779-D784 PolarHBondContact O-N 2.86Å; D784-K788 WeakPolarHBondContact O-CD 3.47Å; D784-K788 VanDerWaalsContact O-CG 3.26Å; D784-K788 WeakPolarHBondContact O-CG 3.45Å; D784-K788 PolarHBondContact O-N 2.71Å; D784-R819 IonicContact OD1-CZ 3.76Å; D784-R819 IonicContact OD1-NE 2.92Å; D784-R819 IonicContact OD1-NH2 2.92Å; D784-R819 PolarHBondContact OD1-NH2 3.43Å; D784-R819 IonicContact OD2-NH2 3.81Å; D784-R819 PolarHBondContact OD2-NH2 3.4Å |
| 785 | D | 93.9 | Very high | 94 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.3 | -45.7 | 175 | 172.2 | 76.7 | 0 | 0 | 0 | 112.1 | Y719 S723 K750 A781 A783 Q787 K788 N789 | Y719-D785 HydrophobicContact CE1-CB 4.43Å; S723-D785 WeakPolarHBondContact CB-OD1 3.35Å; S723-D785 WeakPolarHBondContact CB-OD2 3.47Å; S723-D785 PolarHBondContact OG-OD1 3.31Å; S723-D785 PolarHBondContact OG-OD2 3.08Å; K750-D785 IonicContact NZ-OD2 3.54Å; K750-D785 PolarHBondContact NZ-OD2 3.44Å; A781-D785 WeakPolarHBondContact O-CB 3.38Å; A783-D785 PolarHBondContact O-N 2.91Å; D785-Q787 VanDerWaalsContact C-N 3.31Å; D785-Q787 PolarHBondContact O-N 3.47Å; D785-K788 PolarHBondContact O-N 3.39Å; D785-N789 PolarHBondContact O-N 3.05Å; D785-N789 VanDerWaalsContact O-N 3.11Å; D785-N789 PolarHBondContact O-ND2 2.92Å; D785-N789 PolarHBondContact OD1-ND2 3.48Å; D785-N789 PolarHBondContact OD2-ND2 3.28Å |
| 786 | Y | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 176.1 | -178.5 | -85.1 | 0 | 0 | 0 | 111.4 | V782 A783 K788 N789 R794 E795 V798 V824 T828 | V782-Y786 WeakPolarHBondContact O-CB 3.49Å; V782-Y786 PolarHBondContact O-N 2.8Å; A783-Y786 PolarHBondContact O-N 3Å; Y786-K788 PolarHBondContact O-N 2.87Å; Y786-N789 PolarHBondContact O-N 2.69Å; Y786-R794 HydrophobicContact CD2-CB 3.99Å; Y786-R794 HydrophobicContact CD2-CG 4.17Å; Y786-R794 HydrophobicContact CE1-CG 4.41Å; Y786-R794 HydrophobicContact CE2-CB 3.6Å; Y786-R794 HydrophobicContact CE2-CG 4.08Å; Y786-R794 HydrophobicContact CG-CG 4.38Å; Y786-R794 WeakPolarHBondContact O-CG 3.31Å; Y786-R794 PolarHBondContact O-NE 2.97Å; Y786-E795 WeakPolarHBondContact CE2-O 3.39Å; Y786-V798 HydrophobicContact CD2-CB 3.73Å; Y786-V798 HydrophobicContact CD2-CG1 3.94Å; Y786-V798 HydrophobicContact CD2-CG2 3.92Å; Y786-V798 HydrophobicContact CE2-CB 4.22Å; Y786-V798 HydrophobicContact CG-CB 4.41Å; Y786-V798 HydrophobicContact CG-CG1 4.12Å; Y786-V824 HydrophobicContact CD1-CB 4.21Å; Y786-V824 HydrophobicContact CD1-CG1 3.89Å; Y786-V824 HydrophobicContact CE1-CB 4.12Å; Y786-V824 HydrophobicContact CE1-CG1 4.26Å; Y786-V824 HydrophobicContact CG-CG1 4.42Å; Y786-T828 VanDerWaalsContact CE1-OG1 3.3Å; Y786-T828 WeakPolarHBondContact CE1-OG1 3.31Å; Y786-T828 PolarHBondContact OH-OG1 3.44Å |
| 787 | Q | 94.8 | Very high | 94 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 40% | 0.402 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | -180 | -166.3 | -176.7 | 34.3 | 0 | 0 | 112.2 | A783 D785 R794 D822 A823 | A783-Q787 PolarHBondContact O-N 3.42Å; A783-Q787 VanDerWaalsContact O-N 3.12Å; D785-Q787 VanDerWaalsContact C-N 3.31Å; D785-Q787 PolarHBondContact O-N 3.47Å; Q787-R794 PolarHBondContact O-NH2 2.94Å; Q787-D822 PolarHBondContact NE2-O 3.41Å; Q787-A823 HydrophobicContact CB-CB 4.5Å; Q787-A823 WeakPolarHBondContact CB-O 3.31Å; Q787-A823 WeakPolarHBondContact CG-O 3.25Å |
| 788 | K | 92.8 | Very high | 94.1 | Very high | 168 Ų | 168 | 29.5 Ų | 29.5 | 73% | 0.73 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -74.2 | -24.8 | -175.8 | -71.2 | 169.8 | -171.7 | 167.1 | 0 | 114.1 | D784 D785 Y786 | D784-K788 WeakPolarHBondContact O-CD 3.47Å; D784-K788 VanDerWaalsContact O-CG 3.26Å; D784-K788 WeakPolarHBondContact O-CG 3.45Å; D784-K788 PolarHBondContact O-N 2.71Å; D785-K788 PolarHBondContact O-N 3.39Å; Y786-K788 PolarHBondContact O-N 2.87Å |
| 789 | N | 93.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -71.6 | 150.5 | -178.6 | -86.4 | -44.5 | 0 | 0 | 0 | 112.8 | S723 D785 Y786 A793 R794 | S723-N789 PolarHBondContact OG-ND2 3.29Å; D785-N789 PolarHBondContact O-N 3.05Å; D785-N789 VanDerWaalsContact O-N 3.11Å; D785-N789 PolarHBondContact O-ND2 2.92Å; D785-N789 PolarHBondContact OD1-ND2 3.48Å; D785-N789 PolarHBondContact OD2-ND2 3.28Å; Y786-N789 PolarHBondContact O-N 2.69Å; N789-A793 HydrophobicContact CB-CB 4.2Å; N789-R794 HydrophobicContact CB-CG 4.08Å; N789-R794 PolarHBondContact O-NE 3.06Å; N789-R794 PolarHBondContact O-NH2 2.99Å |
| 790 | L | 92.2 | Very high | 94.2 | Very high | 80 Ų | 80 | 31 Ų | 31 | 42% | 0.419 | 16% | 0.16 | S | C | . | . | trans | -61.8 | 150.5 | 170.1 | -66.5 | 171.8 | 0 | 0 | 0 | 110.3 | V730 A731 A792 A793 R794 | V730-L790 HydrophobicContact CG1-CD1 3.96Å; A731-L790 HydrophobicContact CB-CD1 4.03Å; L790-A792 VanDerWaalsContact C-N 3.31Å; L790-A792 PolarHBondContact O-N 3.04Å; L790-A792 VanDerWaalsContact O-N 3.17Å; L790-A793 WeakPolarHBondContact O-CA 3.4Å; L790-A793 PolarHBondContact O-N 3.24Å; L790-R794 PolarHBondContact O-N 2.76Å | ||
| 791 | P | 92.5 | Very high | 94.3 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -45.4 | -50.3 | -179 | -33.9 | 38.2 | 0 | 0 | 0 | 114.4 | A793 R794 M831 F839 | P791-A793 PolarHBondContact O-N 3.05Å; P791-R794 PolarHBondContact O-N 2.62Å; P791-M831 HydrophobicContact CB-CE 4.23Å; P791-M831 HydrophobicContact CB-CG 4Å; P791-M831 HydrophobicContact CB-SD 4.23Å; P791-M831 HydrophobicContact CG-CG 4.4Å; P791-M831 WeakPolarHBondContact O-CE 3.18Å; P791-F839 HydrophobicContact CB-CZ 4.23Å |
| 792 | A | 91.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -62.7 | -24.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V730 E735 R747 L790 | V730-A792 HydrophobicContact CG1-CB 4.3Å; E735-A792 HydrophobicContact CB-CB 4.18Å; E735-A792 HydrophobicContact CG-CB 3.77Å; R747-A792 PolarHBondContact NH1-O 3.09Å; R747-A792 PolarHBondContact NH2-O 2.79Å; L790-A792 VanDerWaalsContact C-N 3.31Å; L790-A792 PolarHBondContact O-N 3.04Å; L790-A792 VanDerWaalsContact O-N 3.17Å |
| 793 | A | 92.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -93.8 | -5.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I726 V730 N789 L790 P791 | I726-A793 HydrophobicContact CG2-CB 4.14Å; V730-A793 HydrophobicContact CG2-CB 4.33Å; N789-A793 HydrophobicContact CB-CB 4.2Å; L790-A793 WeakPolarHBondContact O-CA 3.4Å; L790-A793 PolarHBondContact O-N 3.24Å; P791-A793 PolarHBondContact O-N 3.05Å |
| 794 | R | 94.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | trans | -75.9 | 129.9 | 178.2 | -75.3 | 175.8 | -175.6 | 151.8 | 1.7 | 110.9 | Y786 Q787 N789 L790 P791 S827 M831 H842 | Y786-R794 HydrophobicContact CD2-CB 3.99Å; Y786-R794 HydrophobicContact CD2-CG 4.17Å; Y786-R794 HydrophobicContact CE1-CG 4.41Å; Y786-R794 HydrophobicContact CE2-CB 3.6Å; Y786-R794 HydrophobicContact CE2-CG 4.08Å; Y786-R794 HydrophobicContact CG-CG 4.38Å; Y786-R794 WeakPolarHBondContact O-CG 3.31Å; Y786-R794 PolarHBondContact O-NE 2.97Å; Q787-R794 PolarHBondContact O-NH2 2.94Å; N789-R794 HydrophobicContact CB-CG 4.08Å; N789-R794 PolarHBondContact O-NE 3.06Å; N789-R794 PolarHBondContact O-NH2 2.99Å; L790-R794 PolarHBondContact O-N 2.76Å; P791-R794 PolarHBondContact O-N 2.62Å; R794-S827 PolarHBondContact NH1-O 2.91Å; R794-M831 HydrophobicContact CB-CE 4.49Å; R794-M831 HydrophobicContact CB-SD 4.48Å; R794-M831 VanDerWaalsContact CD-SD 3.54Å; R794-M831 PolarHBondContact NH1-SD 3.31Å; R794-M831 VanDerWaalsContact NH1-SD 3.36Å; R794-H842 PolarHBondContact O-NE2 3.43Å | ||
| 795 | E | 94 | Very high | 95 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | trans | -90.8 | 123 | -177.9 | -166.6 | 66.2 | -89.8 | 0 | 0 | 110.9 | L754 Y786 E797 V798 | L754-E795 HydrophobicContact CD1-CB 4.36Å; L754-E795 HydrophobicContact CD1-CG 3.85Å; Y786-E795 WeakPolarHBondContact CE2-O 3.39Å; E795-E797 VanDerWaalsContact C-N 3.27Å; E795-E797 HydrophobicContact CG-CB 4.48Å; E795-E797 WeakPolarHBondContact CG-OE2 3.45Å; E795-E797 PolarHBondContact O-N 2.95Å; E795-V798 HydrophobicContact CB-CG2 4.22Å; E795-V798 WeakPolarHBondContact O-CB 3.33Å; E795-V798 WeakPolarHBondContact O-CG2 3.43Å; E795-V798 PolarHBondContact O-N 3.34Å | ||
| 796 | A | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V798 L799 E841 N845 | A796-V798 PolarHBondContact O-N 3.48Å; A796-V798 VanDerWaalsContact O-N 3.16Å; A796-L799 WeakPolarHBondContact O-CB 3.47Å; A796-L799 PolarHBondContact O-N 3.39Å; A796-E841 HydrophobicContact CB-CB 3.63Å; A796-N845 PolarHBondContact O-ND2 2.95Å; A796-N845 VanDerWaalsContact O-ND2 3.14Å |
| 797 | E | 95.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -18.1 | 177.8 | -75.8 | 74.7 | -170 | 0 | 0 | 113.4 | K751 L754 E795 L799 S800 L801 | K751-E797 HydrophobicContact CD-CG 4.49Å; K751-E797 WeakPolarHBondContact CD-OE1 3.45Å; K751-E797 WeakPolarHBondContact CE-OE1 3.13Å; K751-E797 HydrophobicContact CG-CG 4.04Å; K751-E797 IonicContact NZ-OE1 3.73Å; K751-E797 PolarHBondContact NZ-OE1 2.91Å; L754-E797 HydrophobicContact CB-CB 4.11Å; L754-E797 HydrophobicContact CD1-CB 3.75Å; E795-E797 VanDerWaalsContact C-N 3.27Å; E795-E797 HydrophobicContact CG-CB 4.48Å; E795-E797 WeakPolarHBondContact CG-OE2 3.45Å; E795-E797 PolarHBondContact O-N 2.95Å; E797-L799 VanDerWaalsContact C-N 3.26Å; E797-L799 PolarHBondContact O-N 3.3Å; E797-S800 PolarHBondContact O-N 3.01Å; E797-L801 WeakPolarHBondContact O-CB 3.42Å; E797-L801 PolarHBondContact O-N 3.23Å |
| 798 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 171.7 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | L754 V782 Y786 E795 A796 S800 L801 M802 V824 | L754-V798 HydrophobicContact CD1-CG2 3.76Å; L754-V798 HydrophobicContact CD2-CG2 4.25Å; V782-V798 HydrophobicContact CG1-CB 4.2Å; V782-V798 HydrophobicContact CG1-CG1 3.7Å; V782-V798 HydrophobicContact CG1-CG2 3.57Å; Y786-V798 HydrophobicContact CD2-CB 3.73Å; Y786-V798 HydrophobicContact CD2-CG1 3.94Å; Y786-V798 HydrophobicContact CD2-CG2 3.92Å; Y786-V798 HydrophobicContact CE2-CB 4.22Å; Y786-V798 HydrophobicContact CG-CB 4.41Å; Y786-V798 HydrophobicContact CG-CG1 4.12Å; E795-V798 HydrophobicContact CB-CG2 4.22Å; E795-V798 WeakPolarHBondContact O-CB 3.33Å; E795-V798 WeakPolarHBondContact O-CG2 3.43Å; E795-V798 PolarHBondContact O-N 3.34Å; A796-V798 PolarHBondContact O-N 3.48Å; A796-V798 VanDerWaalsContact O-N 3.16Å; V798-S800 PolarHBondContact O-N 2.8Å; V798-L801 PolarHBondContact O-N 3.24Å; V798-M802 HydrophobicContact CG1-CE 4.01Å; V798-M802 HydrophobicContact CG1-CG 4.5Å; V798-M802 VanDerWaalsContact O-CG 3.29Å; V798-M802 WeakPolarHBondContact O-CG 3.49Å; V798-M802 PolarHBondContact O-N 3.35Å; V798-V824 HydrophobicContact CG1-CG1 4.38Å |
| 799 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.7 | -58.4 | 171.3 | 0 | 0 | 0 | 111.4 | A796 E797 M802 A803 V824 T828 H842 N845 F846 L849 | A796-L799 WeakPolarHBondContact O-CB 3.47Å; A796-L799 PolarHBondContact O-N 3.39Å; E797-L799 VanDerWaalsContact C-N 3.26Å; E797-L799 PolarHBondContact O-N 3.3Å; L799-M802 PolarHBondContact O-N 3.19Å; L799-A803 WeakPolarHBondContact O-CB 3.32Å; L799-A803 PolarHBondContact O-N 3.42Å; L799-V824 HydrophobicContact CD2-CB 3.69Å; L799-V824 HydrophobicContact CD2-CG1 4.3Å; L799-V824 HydrophobicContact CD2-CG2 3.88Å; L799-T828 HydrophobicContact CD1-CG2 3.84Å; L799-H842 HydrophobicContact CD1-CB 4.32Å; L799-N845 HydrophobicContact CB-CB 3.62Å; L799-N845 HydrophobicContact CD1-CB 4.23Å; L799-F846 HydrophobicContact CD1-CB 4.12Å; L799-L849 HydrophobicContact CD2-CD2 4.33Å |
| 800 | S | 96.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 24% | 0.238 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | E797 V798 A803 T804 | E797-S800 PolarHBondContact O-N 3.01Å; V798-S800 PolarHBondContact O-N 2.8Å; S800-A803 PolarHBondContact O-N 3.31Å; S800-T804 WeakPolarHBondContact O-CB 3.49Å; S800-T804 PolarHBondContact O-N 3.1Å; S800-T804 PolarHBondContact O-OG1 2.92Å |
| 801 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 172.9 | 178.3 | 60.9 | 0 | 0 | 0 | 111.2 | L754 L757 I761 L778 E797 V798 A803 T804 L805 | L754-L801 HydrophobicContact CD2-CD2 3.56Å; L757-L801 HydrophobicContact CB-CD1 4.16Å; L757-L801 HydrophobicContact CB-CD2 4.45Å; I761-L801 HydrophobicContact CD1-CD1 3.82Å; L778-L801 HydrophobicContact CD1-CD2 4.17Å; L778-L801 HydrophobicContact CD2-CD2 4.13Å; E797-L801 WeakPolarHBondContact O-CB 3.42Å; E797-L801 PolarHBondContact O-N 3.23Å; V798-L801 PolarHBondContact O-N 3.24Å; L801-A803 VanDerWaalsContact C-N 3.35Å; L801-A803 PolarHBondContact O-N 3.41Å; L801-T804 WeakPolarHBondContact O-CB 3.39Å; L801-T804 PolarHBondContact O-N 3.35Å; L801-L805 HydrophobicContact CG-CD1 4.43Å; L801-L805 WeakPolarHBondContact O-CG 3.38Å; L801-L805 PolarHBondContact O-N 2.93Å |
| 802 | M | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -63.8 | -52.7 | 159.9 | 0 | 0 | 111.4 | L779 V782 A783 V798 L799 T804 L805 V806 V820 L849 | L779-M802 HydrophobicContact CD2-CE 3.92Å; L779-M802 HydrophobicContact CD2-SD 3.98Å; V782-M802 HydrophobicContact CG1-CE 4.38Å; A783-M802 HydrophobicContact CB-CE 3.93Å; V798-M802 HydrophobicContact CG1-CE 4.01Å; V798-M802 HydrophobicContact CG1-CG 4.5Å; V798-M802 VanDerWaalsContact O-CG 3.29Å; V798-M802 WeakPolarHBondContact O-CG 3.49Å; V798-M802 PolarHBondContact O-N 3.35Å; L799-M802 PolarHBondContact O-N 3.19Å; M802-T804 VanDerWaalsContact C-N 3.29Å; M802-T804 PolarHBondContact O-N 3.3Å; M802-L805 WeakPolarHBondContact O-CB 3.47Å; M802-L805 PolarHBondContact O-N 3.38Å; M802-L805 HydrophobicContact SD-CD1 3.89Å; M802-V806 WeakPolarHBondContact O-CG2 3.18Å; M802-V806 PolarHBondContact O-N 3.45Å; M802-V820 HydrophobicContact CB-CG1 3.99Å; M802-V820 HydrophobicContact CG-CG1 3.86Å; M802-V820 HydrophobicContact SD-CG1 3.84Å; M802-V820 HydrophobicContact SD-CG2 4.23Å; M802-L849 HydrophobicContact CB-CD1 3.81Å; M802-L849 HydrophobicContact CB-CD2 4.09Å |
| 803 | A | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L799 S800 L801 V806 N807 T848 L849 A852 | L799-A803 WeakPolarHBondContact O-CB 3.32Å; L799-A803 PolarHBondContact O-N 3.42Å; S800-A803 PolarHBondContact O-N 3.31Å; L801-A803 VanDerWaalsContact C-N 3.35Å; L801-A803 PolarHBondContact O-N 3.41Å; A803-V806 PolarHBondContact O-N 2.84Å; A803-N807 WeakPolarHBondContact O-CB 3.48Å; A803-N807 PolarHBondContact O-N 2.89Å; A803-N807 PolarHBondContact O-ND2 2.92Å; A803-T848 HydrophobicContact CB-CG2 4.07Å; A803-L849 HydrophobicContact CB-CB 4.11Å; A803-L849 HydrophobicContact CB-CD1 4.36Å; A803-A852 HydrophobicContact CB-CB 4.31Å |
| 804 | T | 97 | Very high | 95.6 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | S758 I761 K762 S800 L801 M802 R808 | S758-T804 PolarHBondContact OG-OG1 3.03Å; S758-T804 VanDerWaalsContact OG-OG1 3.08Å; I761-T804 HydrophobicContact CB-CG2 4.29Å; I761-T804 HydrophobicContact CG2-CG2 3.98Å; K762-T804 HydrophobicContact CD-CG2 4.13Å; K762-T804 VanDerWaalsContact CE-OG1 3.22Å; K762-T804 WeakPolarHBondContact CE-OG1 3.33Å; K762-T804 HydrophobicContact CG-CG2 3.5Å; K762-T804 VanDerWaalsContact CG-CG2 3.5Å; S800-T804 WeakPolarHBondContact O-CB 3.49Å; S800-T804 PolarHBondContact O-N 3.1Å; S800-T804 PolarHBondContact O-OG1 2.92Å; L801-T804 WeakPolarHBondContact O-CB 3.39Å; L801-T804 PolarHBondContact O-N 3.35Å; M802-T804 VanDerWaalsContact C-N 3.29Å; M802-T804 PolarHBondContact O-N 3.3Å; T804-R808 HydrophobicContact CG2-CG 4.42Å; T804-R808 WeakPolarHBondContact O-CB 3.08Å; T804-R808 VanDerWaalsContact O-CG 3.25Å; T804-R808 WeakPolarHBondContact O-CG 3.45Å; T804-R808 PolarHBondContact O-N 2.98Å; T804-R808 VanDerWaalsContact O-N 3.12Å |
| 805 | L | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 176.1 | -76.6 | 162.9 | 0 | 0 | 0 | 111 | I761 V770 L775 L778 L801 M802 R808 L809 I813 | I761-L805 HydrophobicContact CD1-CD2 3.69Å; I761-L805 HydrophobicContact CD1-CG 4.2Å; I761-L805 HydrophobicContact CG1-CD2 4.44Å; I761-L805 HydrophobicContact CG2-CD2 4.16Å; V770-L805 HydrophobicContact CG1-CD2 4.21Å; L775-L805 HydrophobicContact CD1-CD1 3.86Å; L775-L805 HydrophobicContact CD1-CD2 4.16Å; L778-L805 HydrophobicContact CD2-CD1 3.87Å; L801-L805 HydrophobicContact CG-CD1 4.43Å; L801-L805 WeakPolarHBondContact O-CG 3.38Å; L801-L805 PolarHBondContact O-N 2.93Å; M802-L805 WeakPolarHBondContact O-CB 3.47Å; M802-L805 PolarHBondContact O-N 3.38Å; M802-L805 HydrophobicContact SD-CD1 3.89Å; L805-R808 PolarHBondContact O-N 3.29Å; L805-L809 HydrophobicContact CD2-CD1 3.99Å; L805-L809 VanDerWaalsContact O-CB 3.25Å; L805-L809 WeakPolarHBondContact O-CB 3.45Å; L805-L809 VanDerWaalsContact O-CG 3.31Å; L805-L809 WeakPolarHBondContact O-CG 3.46Å; L805-L809 PolarHBondContact O-N 2.84Å; L805-I813 HydrophobicContact CB-CD1 3.84Å |
| 806 | V | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | M802 A803 R808 E810 I813 L817 L849 A852 V853 H856 | M802-V806 WeakPolarHBondContact O-CG2 3.18Å; M802-V806 PolarHBondContact O-N 3.45Å; A803-V806 PolarHBondContact O-N 2.84Å; V806-R808 PolarHBondContact O-N 2.99Å; V806-E810 PolarHBondContact O-N 3.39Å; V806-I813 HydrophobicContact CG2-CD1 3.87Å; V806-I813 HydrophobicContact CG2-CG2 4.45Å; V806-L817 HydrophobicContact CG2-CD1 4.25Å; V806-L849 HydrophobicContact CG2-CD1 4.15Å; V806-A852 HydrophobicContact CB-CB 4Å; V806-A852 VanDerWaalsContact CG1-C 3.47Å; V806-A852 HydrophobicContact CG1-CB 3.84Å; V806-A852 WeakPolarHBondContact CG1-O 3.31Å; V806-V853 HydrophobicContact CG1-CG2 4.16Å; V806-V853 HydrophobicContact CG2-CG2 3.99Å; V806-H856 HydrophobicContact CG1-CB 4.43Å |
| 807 | N | 96.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 34 Ų | 34 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.2 | -23.4 | 179.1 | -73.5 | -28.3 | 0 | 0 | 0 | 114 | A803 A852 H856 | A803-N807 WeakPolarHBondContact O-CB 3.48Å; A803-N807 PolarHBondContact O-N 2.89Å; A803-N807 PolarHBondContact O-ND2 2.92Å; N807-A852 WeakPolarHBondContact OD1-CA 3.36Å; N807-A852 WeakPolarHBondContact OD1-CB 3.29Å; N807-H856 PolarHBondContact OD1-CD2 3.44Å; N807-H856 PolarHBondContact OD1-NE2 3.31Å |
| 808 | R | 95 | Very high | 95.2 | Very high | 107 Ų | 107 | 36.6 Ų | 36.6 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -101.5 | -30.6 | -176.4 | -68 | -60 | -59.8 | 148.1 | -1.2 | 113.9 | I761 K762 T764 T804 L805 V806 | I761-R808 HydrophobicContact CG2-CB 4Å; I761-R808 HydrophobicContact CG2-CG 4.12Å; I761-R808 PolarHBondContact O-NE 3.41Å; K762-R808 PolarHBondContact O-NE 3.26Å; T764-R808 PolarHBondContact O-NH2 3.1Å; T804-R808 HydrophobicContact CG2-CG 4.42Å; T804-R808 WeakPolarHBondContact O-CB 3.08Å; T804-R808 VanDerWaalsContact O-CG 3.25Å; T804-R808 WeakPolarHBondContact O-CG 3.45Å; T804-R808 PolarHBondContact O-N 2.98Å; T804-R808 VanDerWaalsContact O-N 3.12Å; L805-R808 PolarHBondContact O-N 3.29Å; V806-R808 PolarHBondContact O-N 2.99Å |
| 809 | L | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -92.9 | -26.3 | -179 | -63.1 | -176.1 | 0 | 0 | 0 | 112.6 | P767 V770 L775 L805 D811 H812 I813 | P767-L809 HydrophobicContact CB-CD2 3.85Å; P767-L809 VanDerWaalsContact O-CD2 3.27Å; P767-L809 WeakPolarHBondContact O-CD2 3.28Å; V770-L809 HydrophobicContact CB-CD2 3.85Å; V770-L809 HydrophobicContact CG1-CD1 4.23Å; V770-L809 HydrophobicContact CG1-CD2 3.83Å; V770-L809 HydrophobicContact CG1-CG 4.46Å; L775-L809 HydrophobicContact CD2-CD1 4.1Å; L805-L809 HydrophobicContact CD2-CD1 3.99Å; L805-L809 VanDerWaalsContact O-CB 3.25Å; L805-L809 WeakPolarHBondContact O-CB 3.45Å; L805-L809 VanDerWaalsContact O-CG 3.31Å; L805-L809 WeakPolarHBondContact O-CG 3.46Å; L805-L809 PolarHBondContact O-N 2.84Å; L809-D811 PolarHBondContact O-N 3.42Å; L809-H812 HydrophobicContact CB-CB 4.3Å; L809-H812 VanDerWaalsContact O-CB 3.3Å; L809-H812 WeakPolarHBondContact O-CB 3.43Å; L809-H812 PolarHBondContact O-N 3.49Å; L809-H812 PolarHBondContact O-ND1 3.43Å; L809-I813 HydrophobicContact CB-CB 3.89Å; L809-I813 HydrophobicContact CD1-CB 4.15Å; L809-I813 HydrophobicContact CD1-CD1 4.23Å; L809-I813 HydrophobicContact CD1-CG1 4.06Å |
| 810 | E | 94.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 48.5 | -121.3 | -178.3 | -56.6 | -177.9 | 163.9 | 0 | 0 | 110.6 | V806 H812 I813 H856 C857 | V806-E810 PolarHBondContact O-N 3.39Å; E810-H812 PolarHBondContact O-N 2.87Å; E810-H812 VanDerWaalsContact O-N 3.14Å; E810-I813 VanDerWaalsContact O-CG2 3.28Å; E810-I813 WeakPolarHBondContact O-CG2 3.49Å; E810-I813 PolarHBondContact O-N 3.32Å; E810-H856 HydrophobicContact CG-CB 4.32Å; E810-H856 IonicContact OE1-CE1 2.84Å; E810-H856 IonicContact OE1-ND1 3.63Å; E810-C857 PolarHBondContact O-SG 3.31Å |
| 811 | D | 92.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 40 Ų | 40 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -60.7 | -24.9 | -179.8 | -71.5 | -28.9 | 0 | 0 | 0 | 114 | L809 I813 L814 | L809-D811 PolarHBondContact O-N 3.42Å; D811-I813 PolarHBondContact O-N 2.84Å; D811-L814 HydrophobicContact CB-CD1 4.07Å; D811-L814 WeakPolarHBondContact O-CB 3.21Å; D811-L814 WeakPolarHBondContact O-CD1 3.35Å; D811-L814 VanDerWaalsContact O-CG 3.27Å; D811-L814 WeakPolarHBondContact O-CG 3.41Å; D811-L814 PolarHBondContact O-N 3.44Å |
| 812 | H | 93.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 43% | 0.431 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -68.8 | -19.9 | -178.8 | -57.5 | 84.2 | 0 | 0 | 0 | 112.9 | A771 L809 E810 | A771-H812 HydrophobicContact CB-CB 4.22Å; L809-H812 HydrophobicContact CB-CB 4.3Å; L809-H812 VanDerWaalsContact O-CB 3.3Å; L809-H812 WeakPolarHBondContact O-CB 3.43Å; L809-H812 PolarHBondContact O-N 3.49Å; L809-H812 PolarHBondContact O-ND1 3.43Å; E810-H812 PolarHBondContact O-N 2.87Å; E810-H812 VanDerWaalsContact O-N 3.14Å |
| 813 | I | 95 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -84.6 | -15.5 | 176.7 | -151.7 | 175 | 0 | 0 | 0 | 112.8 | L775 L805 V806 L809 E810 D811 P815 A816 L817 | L775-I813 HydrophobicContact CD2-CG1 4Å; L805-I813 HydrophobicContact CB-CD1 3.84Å; V806-I813 HydrophobicContact CG2-CD1 3.87Å; V806-I813 HydrophobicContact CG2-CG2 4.45Å; L809-I813 HydrophobicContact CB-CB 3.89Å; L809-I813 HydrophobicContact CD1-CB 4.15Å; L809-I813 HydrophobicContact CD1-CD1 4.23Å; L809-I813 HydrophobicContact CD1-CG1 4.06Å; E810-I813 VanDerWaalsContact O-CG2 3.28Å; E810-I813 WeakPolarHBondContact O-CG2 3.49Å; E810-I813 PolarHBondContact O-N 3.32Å; D811-I813 PolarHBondContact O-N 2.84Å; I813-P815 VanDerWaalsContact C-N 3.29Å; I813-P815 VanDerWaalsContact O-N 3.11Å; I813-A816 CarbonylContact O-C 3.6Å; I813-A816 WeakPolarHBondContact O-CA 3.42Å; I813-A816 PolarHBondContact O-N 3.28Å; I813-L817 HydrophobicContact CG2-CB 4.44Å; I813-L817 PolarHBondContact O-N 2.98Å |
| 814 | L | 92.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -40.6 | -173.4 | -69.4 | 171.9 | 0 | 0 | 0 | 114 | D811 A816 L817 P818 C857 A860 | D811-L814 HydrophobicContact CB-CD1 4.07Å; D811-L814 WeakPolarHBondContact O-CB 3.21Å; D811-L814 WeakPolarHBondContact O-CD1 3.35Å; D811-L814 VanDerWaalsContact O-CG 3.27Å; D811-L814 WeakPolarHBondContact O-CG 3.41Å; D811-L814 PolarHBondContact O-N 3.44Å; L814-A816 VanDerWaalsContact C-N 3.29Å; L814-A816 PolarHBondContact O-N 2.95Å; L814-L817 HydrophobicContact CD2-CD2 4.33Å; L814-L817 PolarHBondContact O-N 3.31Å; L814-P818 WeakPolarHBondContact O-CD 3.28Å; L814-C857 HydrophobicContact CD2-CB 3.9Å; L814-A860 HydrophobicContact CD2-CB 3.86Å |
| 815 | P | 92.9 | Very high | 93.8 | Very high | 117 Ų | 117 | 45 Ų | 45 | 76% | 0.76 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.9 | 176.9 | -22.9 | 35.2 | 0 | 0 | 0 | 114.2 | I813 | I813-P815 VanDerWaalsContact C-N 3.29Å; I813-P815 VanDerWaalsContact O-N 3.11Å |
| 816 | A | 93.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -15.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L775 L779 I813 L814 P818 R819 V820 | L775-A816 HydrophobicContact CD2-CB 3.69Å; L775-A816 HydrophobicContact CG-CB 4.48Å; L779-A816 HydrophobicContact CD1-CB 4.06Å; I813-A816 CarbonylContact O-C 3.6Å; I813-A816 WeakPolarHBondContact O-CA 3.42Å; I813-A816 PolarHBondContact O-N 3.28Å; L814-A816 VanDerWaalsContact C-N 3.29Å; L814-A816 PolarHBondContact O-N 2.95Å; A816-P818 VanDerWaalsContact C-CD 3.49Å; A816-R819 WeakPolarHBondContact O-CB 3.43Å; A816-R819 PolarHBondContact O-N 3.35Å; A816-V820 PolarHBondContact O-N 3.42Å; A816-V820 VanDerWaalsContact O-N 3.12Å |
| 817 | L | 92.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.1 | -40.5 | -176.1 | -177.5 | 61.2 | 0 | 0 | 0 | 114.1 | V806 I813 L814 R819 V820 L821 V853 C857 A860 | V806-L817 HydrophobicContact CG2-CD1 4.25Å; I813-L817 HydrophobicContact CG2-CB 4.44Å; I813-L817 PolarHBondContact O-N 2.98Å; L814-L817 HydrophobicContact CD2-CD2 4.33Å; L814-L817 PolarHBondContact O-N 3.31Å; L817-R819 VanDerWaalsContact C-N 3.28Å; L817-R819 PolarHBondContact O-N 3.19Å; L817-V820 WeakPolarHBondContact O-CB 3.39Å; L817-V820 PolarHBondContact O-N 3.05Å; L817-V820 VanDerWaalsContact O-N 3.15Å; L817-L821 HydrophobicContact CD1-CD1 4.36Å; L817-L821 HydrophobicContact CD1-CG 4.14Å; L817-L821 HydrophobicContact CG-CD1 4.21Å; L817-L821 HydrophobicContact CG-CG 4.41Å; L817-L821 PolarHBondContact O-N 3.44Å; L817-V853 HydrophobicContact CD1-CG2 4.02Å; L817-V853 HydrophobicContact CD2-CG1 4.29Å; L817-C857 HydrophobicContact CD2-CB 3.59Å; L817-A860 HydrophobicContact CD2-CB 3.48Å; L817-A860 VanDerWaalsContact CD2-CB 3.48Å |
| 818 | P | 91.6 | Very high | 93.5 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 47% | 0.468 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -41.9 | 174.3 | -26.6 | 35.9 | 0 | 0 | 0 | 112.7 | L814 A816 V820 L821 D822 | L814-P818 WeakPolarHBondContact O-CD 3.28Å; A816-P818 VanDerWaalsContact C-CD 3.49Å; P818-V820 PolarHBondContact O-N 3.3Å; P818-L821 PolarHBondContact O-N 3.3Å; P818-D822 WeakPolarHBondContact O-CB 3.41Å; P818-D822 VanDerWaalsContact O-CG 3.3Å; P818-D822 PolarHBondContact O-N 3.04Å |
| 819 | R | 91.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 42 Ų | 42 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 177.3 | -175.6 | -179.8 | 177.9 | -171.2 | 2.5 | 111.8 | D780 D784 A816 L817 A823 | D780-R819 IonicContact OD1-CZ 3.19Å; D780-R819 IonicContact OD1-NH1 2.69Å; D780-R819 PolarHBondContact OD1-NH1 3.31Å; D780-R819 IonicContact OD1-NH2 2.87Å; D780-R819 PolarHBondContact OD1-NH2 3.43Å; D784-R819 IonicContact OD1-CZ 3.76Å; D784-R819 IonicContact OD1-NE 2.92Å; D784-R819 IonicContact OD1-NH2 2.92Å; D784-R819 PolarHBondContact OD1-NH2 3.43Å; D784-R819 IonicContact OD2-NH2 3.81Å; D784-R819 PolarHBondContact OD2-NH2 3.4Å; A816-R819 WeakPolarHBondContact O-CB 3.43Å; A816-R819 PolarHBondContact O-N 3.35Å; L817-R819 VanDerWaalsContact C-N 3.28Å; L817-R819 PolarHBondContact O-N 3.19Å; R819-A823 WeakPolarHBondContact O-CB 3.27Å; R819-A823 PolarHBondContact O-N 2.83Å |
| 820 | V | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -51.6 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | L779 M802 A816 L817 P818 A823 V824 | L779-V820 HydrophobicContact CD1-CG2 4.14Å; L779-V820 HydrophobicContact CD2-CG2 3.72Å; M802-V820 HydrophobicContact CB-CG1 3.99Å; M802-V820 HydrophobicContact CG-CG1 3.86Å; M802-V820 HydrophobicContact SD-CG1 3.84Å; M802-V820 HydrophobicContact SD-CG2 4.23Å; A816-V820 PolarHBondContact O-N 3.42Å; A816-V820 VanDerWaalsContact O-N 3.12Å; L817-V820 WeakPolarHBondContact O-CB 3.39Å; L817-V820 PolarHBondContact O-N 3.05Å; L817-V820 VanDerWaalsContact O-N 3.15Å; P818-V820 PolarHBondContact O-N 3.3Å; V820-A823 PolarHBondContact O-N 3.35Å; V820-V824 WeakPolarHBondContact O-CG2 3.3Å; V820-V824 PolarHBondContact O-N 3.36Å |
| 821 | L | 92.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | -178.1 | -67.9 | 177.5 | 0 | 0 | 0 | 112.1 | L817 P818 A823 V824 F825 V853 | L817-L821 HydrophobicContact CD1-CD1 4.36Å; L817-L821 HydrophobicContact CD1-CG 4.14Å; L817-L821 HydrophobicContact CG-CD1 4.21Å; L817-L821 HydrophobicContact CG-CG 4.41Å; L817-L821 PolarHBondContact O-N 3.44Å; P818-L821 PolarHBondContact O-N 3.3Å; L821-A823 PolarHBondContact O-N 3.11Å; L821-V824 PolarHBondContact O-N 3.02Å; L821-F825 WeakPolarHBondContact O-CB 3.39Å; L821-F825 PolarHBondContact O-N 3.31Å; L821-V853 HydrophobicContact CD2-CG2 4.49Å |
| 822 | D | 91.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 37.3 Ų | 37.3 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.7 | -33.7 | 178.6 | -75.4 | -20.3 | 0 | 0 | 0 | 112 | Q787 P818 K868 | Q787-D822 PolarHBondContact NE2-O 3.41Å; P818-D822 WeakPolarHBondContact O-CB 3.41Å; P818-D822 VanDerWaalsContact O-CG 3.3Å; P818-D822 PolarHBondContact O-N 3.04Å; D822-K868 IonicContact OD1-NZ 3.52Å |
| 823 | A | 92.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A783 Q787 R819 V820 L821 S827 | A783-A823 HydrophobicContact CB-CB 3.78Å; Q787-A823 HydrophobicContact CB-CB 4.5Å; Q787-A823 WeakPolarHBondContact CB-O 3.31Å; Q787-A823 WeakPolarHBondContact CG-O 3.25Å; R819-A823 WeakPolarHBondContact O-CB 3.27Å; R819-A823 PolarHBondContact O-N 2.83Å; V820-A823 PolarHBondContact O-N 3.35Å; L821-A823 PolarHBondContact O-N 3.11Å; A823-S827 PolarHBondContact O-OG 3.29Å |
| 824 | V | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -110.3 | -22.2 | -167.5 | -51 | 0 | 0 | 0 | 0 | 114.9 | Y786 V798 L799 V820 L821 S827 T828 L849 | Y786-V824 HydrophobicContact CD1-CB 4.21Å; Y786-V824 HydrophobicContact CD1-CG1 3.89Å; Y786-V824 HydrophobicContact CE1-CB 4.12Å; Y786-V824 HydrophobicContact CE1-CG1 4.26Å; Y786-V824 HydrophobicContact CG-CG1 4.42Å; V798-V824 HydrophobicContact CG1-CG1 4.38Å; L799-V824 HydrophobicContact CD2-CB 3.69Å; L799-V824 HydrophobicContact CD2-CG1 4.3Å; L799-V824 HydrophobicContact CD2-CG2 3.88Å; V820-V824 WeakPolarHBondContact O-CG2 3.3Å; V820-V824 PolarHBondContact O-N 3.36Å; L821-V824 PolarHBondContact O-N 3.02Å; V824-S827 PolarHBondContact O-OG 2.98Å; V824-T828 WeakPolarHBondContact O-CB 3.48Å; V824-T828 PolarHBondContact O-N 3.36Å; V824-T828 PolarHBondContact O-OG1 3.48Å; V824-L849 HydrophobicContact CG2-CD2 3.58Å |
| 825 | F | 94 | Very high | 92.9 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.5 | -65.8 | -169.6 | -175.8 | -88.6 | 0 | 0 | 0 | 112 | L821 S827 T828 L829 F846 L850 L871 I872 | L821-F825 WeakPolarHBondContact O-CB 3.39Å; L821-F825 PolarHBondContact O-N 3.31Å; F825-S827 PolarHBondContact O-N 3.49Å; F825-T828 PolarHBondContact O-N 2.84Å; F825-L829 HydrophobicContact CE1-CD2 4.06Å; F825-L829 HydrophobicContact CZ-CD2 4.41Å; F825-L829 WeakPolarHBondContact O-CB 3.32Å; F825-L829 PolarHBondContact O-N 2.9Å; F825-F846 AromaticContact CD2-CE2 3.81Å; F825-F846 HydrophobicContact CD2-CE2 3.81Å; F825-F846 AromaticContact CD2-CZ 3.79Å; F825-F846 HydrophobicContact CD2-CZ 3.79Å; F825-F846 HydrophobicContact CE2-CE2 4.13Å; F825-F846 AromaticContact CE2-CZ 3.6Å; F825-F846 HydrophobicContact CE2-CZ 3.6Å; F825-F846 HydrophobicContact CG-CE2 4.35Å; F825-F846 HydrophobicContact CZ-CZ 4.2Å; F825-L850 HydrophobicContact CD2-CD2 3.98Å; F825-L850 HydrophobicContact CE2-CD1 4.14Å; F825-L850 HydrophobicContact CE2-CD2 3.78Å; F825-L871 HydrophobicContact CE1-CD2 3.73Å; F825-L871 HydrophobicContact CE1-CG 3.87Å; F825-L871 HydrophobicContact CZ-CG 4.37Å; F825-I872 HydrophobicContact CE1-CG1 4.46Å; F825-I872 HydrophobicContact CE2-CG1 3.71Å; F825-I872 HydrophobicContact CZ-CB 4.39Å; F825-I872 HydrophobicContact CZ-CG1 3.62Å |
| 826 | Q | 92.7 | Very high | 92.7 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63 | -44 | -175.3 | -177.2 | 63.2 | 29.1 | 0 | 0 | 111.6 | T828 L829 E830 | Q826-T828 VanDerWaalsContact C-N 3.29Å; Q826-T828 PolarHBondContact O-N 3.03Å; Q826-L829 PolarHBondContact O-N 3.37Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.5Å; Q826-E830 PolarHBondContact NE2-OE1 3.42Å; Q826-E830 WeakPolarHBondContact O-CG 3.3Å; Q826-E830 PolarHBondContact O-N 2.63Å; Q826-E830 VanDerWaalsContact O-N 3.14Å |
| 827 | S | 94.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | -178.9 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | R794 A823 V824 F825 M831 | R794-S827 PolarHBondContact NH1-O 2.91Å; A823-S827 PolarHBondContact O-OG 3.29Å; V824-S827 PolarHBondContact O-OG 2.98Å; F825-S827 PolarHBondContact O-N 3.49Å; S827-M831 WeakPolarHBondContact O-CG 3.37Å |
| 828 | T | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.3 | -38.9 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | Y786 L799 V824 F825 Q826 E830 M831 I832 H842 F846 | Y786-T828 VanDerWaalsContact CE1-OG1 3.3Å; Y786-T828 WeakPolarHBondContact CE1-OG1 3.31Å; Y786-T828 PolarHBondContact OH-OG1 3.44Å; L799-T828 HydrophobicContact CD1-CG2 3.84Å; V824-T828 WeakPolarHBondContact O-CB 3.48Å; V824-T828 PolarHBondContact O-N 3.36Å; V824-T828 PolarHBondContact O-OG1 3.48Å; F825-T828 PolarHBondContact O-N 2.84Å; Q826-T828 VanDerWaalsContact C-N 3.29Å; Q826-T828 PolarHBondContact O-N 3.03Å; T828-E830 VanDerWaalsContact C-N 3.3Å; T828-E830 PolarHBondContact O-N 3.46Å; T828-M831 WeakPolarHBondContact O-CA 3.29Å; T828-M831 VanDerWaalsContact O-CB 3.28Å; T828-M831 WeakPolarHBondContact O-CB 3.49Å; T828-M831 PolarHBondContact O-N 3.19Å; T828-I832 PolarHBondContact O-N 2.84Å; T828-H842 HydrophobicContact CG2-CB 4.23Å; T828-F846 HydrophobicContact CG2-CB 4.03Å; T828-F846 HydrophobicContact CG2-CD2 3.72Å; T828-F846 HydrophobicContact CG2-CG 4.12Å |
| 829 | L | 94.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 180 | -172.4 | 60.6 | 0 | 0 | 0 | 111.3 | F825 Q826 M831 I832 D833 F846 L871 | F825-L829 HydrophobicContact CE1-CD2 4.06Å; F825-L829 HydrophobicContact CZ-CD2 4.41Å; F825-L829 WeakPolarHBondContact O-CB 3.32Å; F825-L829 PolarHBondContact O-N 2.9Å; Q826-L829 PolarHBondContact O-N 3.37Å; L829-M831 PolarHBondContact O-N 3.22Å; L829-M831 VanDerWaalsContact O-N 3.11Å; L829-I832 HydrophobicContact CD1-CG1 4.33Å; L829-I832 PolarHBondContact O-N 2.85Å; L829-D833 HydrophobicContact CD1-CB 4.38Å; L829-D833 HydrophobicContact CG-CB 4.47Å; L829-D833 VanDerWaalsContact O-CB 3.3Å; L829-D833 WeakPolarHBondContact O-CB 3.16Å; L829-D833 VanDerWaalsContact O-CG 3.23Å; L829-D833 PolarHBondContact O-N 3.22Å; L829-F846 HydrophobicContact CD1-CZ 4.44Å; L829-L871 HydrophobicContact CD2-CD1 3.7Å; L829-L871 HydrophobicContact CD2-CD2 4.24Å; L829-L871 HydrophobicContact CD2-CG 3.89Å |
| 830 | E | 93.8 | Very high | 92.6 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -14.4 | 175.8 | -70 | 171.1 | -171.3 | 0 | 0 | 114.8 | Q826 T828 K834 | Q826-E830 WeakPolarHBondContact CG-OE1 3.5Å; Q826-E830 PolarHBondContact NE2-OE1 3.42Å; Q826-E830 WeakPolarHBondContact O-CG 3.3Å; Q826-E830 PolarHBondContact O-N 2.63Å; Q826-E830 VanDerWaalsContact O-N 3.14Å; T828-E830 VanDerWaalsContact C-N 3.3Å; T828-E830 PolarHBondContact O-N 3.46Å; E830-K834 WeakPolarHBondContact O-CE 3.35Å; E830-K834 PolarHBondContact O-NZ 3.14Å |
| 831 | M | 94.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -86.8 | -30.7 | 173.6 | -59.8 | 171.5 | 54.2 | 0 | 0 | 111.7 | P791 R794 S827 T828 L829 F839 | P791-M831 HydrophobicContact CB-CE 4.23Å; P791-M831 HydrophobicContact CB-CG 4Å; P791-M831 HydrophobicContact CB-SD 4.23Å; P791-M831 HydrophobicContact CG-CG 4.4Å; P791-M831 WeakPolarHBondContact O-CE 3.18Å; R794-M831 HydrophobicContact CB-CE 4.49Å; R794-M831 HydrophobicContact CB-SD 4.48Å; R794-M831 VanDerWaalsContact CD-SD 3.54Å; R794-M831 PolarHBondContact NH1-SD 3.31Å; R794-M831 VanDerWaalsContact NH1-SD 3.36Å; S827-M831 WeakPolarHBondContact O-CG 3.37Å; T828-M831 WeakPolarHBondContact O-CA 3.29Å; T828-M831 VanDerWaalsContact O-CB 3.28Å; T828-M831 WeakPolarHBondContact O-CB 3.49Å; T828-M831 PolarHBondContact O-N 3.19Å; L829-M831 PolarHBondContact O-N 3.22Å; L829-M831 VanDerWaalsContact O-N 3.11Å; M831-F839 HydrophobicContact CB-CD2 4.11Å; M831-F839 HydrophobicContact CB-CE2 4.43Å; M831-F839 HydrophobicContact CB-CG 4.45Å; M831-F839 HydrophobicContact CE-CB 4.43Å; M831-F839 HydrophobicContact CE-CD1 3.35Å; M831-F839 HydrophobicContact CE-CD2 4.24Å; M831-F839 HydrophobicContact CE-CE1 3.52Å; M831-F839 HydrophobicContact CE-CE2 4.39Å; M831-F839 HydrophobicContact CE-CG 3.75Å; M831-F839 HydrophobicContact CE-CZ 4.07Å |
| 832 | I | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -110 | -12.1 | -169.3 | 68.2 | 171.9 | 0 | 0 | 0 | 112.8 | T828 L829 K834 F839 H842 R843 F846 F847 W878 | T828-I832 PolarHBondContact O-N 2.84Å; L829-I832 HydrophobicContact CD1-CG1 4.33Å; L829-I832 PolarHBondContact O-N 2.85Å; I832-K834 VanDerWaalsContact C-N 3.35Å; I832-K834 PolarHBondContact O-N 3.22Å; I832-F839 HydrophobicContact CG2-CB 4.4Å; I832-H842 HydrophobicContact CG2-CB 4.44Å; I832-R843 HydrophobicContact CB-CG 3.87Å; I832-R843 HydrophobicContact CG2-CG 3.52Å; I832-R843 PolarHBondContact O-NH1 3.26Å; I832-F846 HydrophobicContact CD1-CB 4.41Å; I832-F846 HydrophobicContact CD1-CD1 3.7Å; I832-F846 HydrophobicContact CD1-CE1 4.12Å; I832-F846 HydrophobicContact CD1-CG 4.08Å; I832-F847 HydrophobicContact CD1-CE2 4.03Å; I832-F847 HydrophobicContact CD1-CZ 4.12Å; I832-W878 WeakPolarHBondContact O-CH2 3.36Å; I832-W878 WeakPolarHBondContact O-CZ2 3.47Å |
| 833 | D | 91 | Very high | 92.9 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -82.9 | -4.5 | -174.4 | 68.2 | -6.1 | 0 | 0 | 0 | 115.3 | L829 | L829-D833 HydrophobicContact CD1-CB 4.38Å; L829-D833 HydrophobicContact CG-CB 4.47Å; L829-D833 VanDerWaalsContact O-CB 3.3Å; L829-D833 WeakPolarHBondContact O-CB 3.16Å; L829-D833 VanDerWaalsContact O-CG 3.23Å; L829-D833 PolarHBondContact O-N 3.22Å |
| 834 | K | 88.9 | Confident | 93 | Very high | 165 Ų | 165 | 50.2 Ų | 50.2 | 72% | 0.717 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -88.5 | -34.8 | -173.7 | -61.4 | 179 | -173.9 | 160.7 | 0 | 114.8 | E830 I832 | E830-K834 WeakPolarHBondContact O-CE 3.35Å; E830-K834 PolarHBondContact O-NZ 3.14Å; I832-K834 VanDerWaalsContact C-N 3.35Å; I832-K834 PolarHBondContact O-N 3.22Å |
| 835 | D | 90 | Very high | 93.1 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | -153.2 | 174.9 | -177.4 | 64.8 | 76.8 | 0 | 0 | 0 | 109.7 | E837 E838 R843 W878 | D835-E837 WeakPolarHBondContact OD1-CA 3.3Å; D835-E837 PolarHBondContact OD1-N 2.99Å; D835-E838 PolarHBondContact OD1-N 3.11Å; D835-R843 PolarHBondContact O-NH1 2.94Å; D835-R843 PolarHBondContact O-NH2 3.21Å; D835-R843 IonicContact OD1-NH2 3.92Å; D835-R843 PolarHBondContact OD1-NH2 3.45Å; D835-W878 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 836 | L | 87.9 | Confident | 93.2 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -101.4 | 14.1 | -177.7 | -57.2 | 176.7 | 0 | 0 | 0 | 113.7 | W878 H882 T883 | L836-W878 HydrophobicContact CD2-CH2 4.04Å; L836-W878 HydrophobicContact CD2-CZ2 3.51Å; L836-H882 PolarHBondContact O-CE1 3.42Å; L836-H882 PolarHBondContact O-NE2 2.92Å; L836-T883 HydrophobicContact CD1-CG2 4.08Å |
| 837 | E | 90.2 | Very high | 93.5 | Very high | 162 Ų | 162 | 46.4 Ų | 46.4 | 76% | 0.757 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -126.3 | -46.1 | -168.2 | -63 | -176.8 | -177.1 | 0 | 0 | 113.8 | D835 | D835-E837 WeakPolarHBondContact OD1-CA 3.3Å; D835-E837 PolarHBondContact OD1-N 2.99Å |
| 838 | E | 91 | Very high | 93.6 | Very high | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -66.1 | 151.8 | -174.4 | -67.2 | -167.5 | 170.8 | 0 | 0 | 112.8 | D835 R843 | D835-E838 PolarHBondContact OD1-N 3.11Å; E838-R843 VanDerWaalsContact N-NH2 3.16Å; E838-R843 PolarHBondContact O-NE 2.75Å; E838-R843 PolarHBondContact O-NH2 2.95Å |
| 839 | F | 92.5 | Very high | 93.6 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | trans | 52.4 | 51.4 | 177.3 | -54.6 | -79.8 | 0 | 0 | 0 | 115.9 | P791 M831 I832 E841 H842 R843 | P791-F839 HydrophobicContact CB-CZ 4.23Å; M831-F839 HydrophobicContact CB-CD2 4.11Å; M831-F839 HydrophobicContact CB-CE2 4.43Å; M831-F839 HydrophobicContact CB-CG 4.45Å; M831-F839 HydrophobicContact CE-CB 4.43Å; M831-F839 HydrophobicContact CE-CD1 3.35Å; M831-F839 HydrophobicContact CE-CD2 4.24Å; M831-F839 HydrophobicContact CE-CE1 3.52Å; M831-F839 HydrophobicContact CE-CE2 4.39Å; M831-F839 HydrophobicContact CE-CG 3.75Å; M831-F839 HydrophobicContact CE-CZ 4.07Å; I832-F839 HydrophobicContact CG2-CB 4.4Å; F839-E841 VanDerWaalsContact C-N 3.3Å; F839-E841 PolarHBondContact O-N 2.88Å; F839-H842 HydrophobicContact CB-CB 3.99Å; F839-H842 AromaticContact CD1-CE1 3.9Å; F839-H842 AromaticContact CD1-ND1 3.75Å; F839-H842 PolarHBondContact O-N 3.36Å; F839-H842 VanDerWaalsContact O-N 3.13Å; F839-R843 WeakPolarHBondContact O-CG 3.2Å; F839-R843 PolarHBondContact O-N 3.31Å | ||
| 840 | P | 93 | Very high | 93.7 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -33.9 | -174.6 | 25.2 | -35.3 | 0 | 0 | 0 | 113.9 | T844 M884 | P840-T844 PolarHBondContact O-N 3.48Å; P840-T844 VanDerWaalsContact O-N 3.08Å; P840-T844 PolarHBondContact O-OG1 2.88Å; P840-M884 HydrophobicContact CB-CE 4.03Å; P840-M884 HydrophobicContact CB-SD 4.22Å |
| 841 | E | 92.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68 | -43.4 | 175.7 | -61.9 | -163.7 | 128.2 | 0 | 0 | 111.9 | A796 F839 R843 T844 N845 | A796-E841 HydrophobicContact CB-CB 3.63Å; F839-E841 VanDerWaalsContact C-N 3.3Å; F839-E841 PolarHBondContact O-N 2.88Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 3.37Å; E841-T844 PolarHBondContact O-N 3.16Å; E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 3.05Å |
| 842 | H | 96.1 | Very high | 94 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.069 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.1 | -58.4 | 71.6 | 0 | 0 | 0 | 110.7 | R794 L799 T828 I832 F839 N845 F846 | R794-H842 PolarHBondContact O-NE2 3.43Å; L799-H842 HydrophobicContact CD1-CB 4.32Å; T828-H842 HydrophobicContact CG2-CB 4.23Å; I832-H842 HydrophobicContact CG2-CB 4.44Å; F839-H842 HydrophobicContact CB-CB 3.99Å; F839-H842 AromaticContact CD1-CE1 3.9Å; F839-H842 AromaticContact CD1-ND1 3.75Å; F839-H842 PolarHBondContact O-N 3.36Å; F839-H842 VanDerWaalsContact O-N 3.13Å; H842-N845 PolarHBondContact O-N 3.06Å; H842-F846 WeakPolarHBondContact O-CA 3.41Å; H842-F846 WeakPolarHBondContact O-CB 3.36Å; H842-F846 PolarHBondContact O-N 3.14Å |
| 843 | R | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.2 | -54.9 | 174 | -65.7 | 176.8 | -163.1 | -77.5 | 3.5 | 110.8 | I832 D835 E838 F839 E841 N845 F846 F847 H882 V887 | I832-R843 HydrophobicContact CB-CG 3.87Å; I832-R843 HydrophobicContact CG2-CG 3.52Å; I832-R843 PolarHBondContact O-NH1 3.26Å; D835-R843 PolarHBondContact O-NH1 2.94Å; D835-R843 PolarHBondContact O-NH2 3.21Å; D835-R843 IonicContact OD1-NH2 3.92Å; D835-R843 PolarHBondContact OD1-NH2 3.45Å; E838-R843 VanDerWaalsContact N-NH2 3.16Å; E838-R843 PolarHBondContact O-NE 2.75Å; E838-R843 PolarHBondContact O-NH2 2.95Å; F839-R843 WeakPolarHBondContact O-CG 3.2Å; F839-R843 PolarHBondContact O-N 3.31Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 3.37Å; R843-N845 PolarHBondContact O-N 3.26Å; R843-F846 PolarHBondContact O-N 3.06Å; R843-F847 WeakPolarHBondContact O-CD2 3.35Å; R843-F847 PolarHBondContact O-N 3.41Å; R843-F847 VanDerWaalsContact O-N 3.14Å; R843-H882 WeakPolarHBondContact CD-NE2 3.5Å; R843-V887 HydrophobicContact CB-CG2 4.33Å |
| 844 | T | 95.3 | Very high | 94.3 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | -177.1 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | P840 E841 T848 | P840-T844 PolarHBondContact O-N 3.48Å; P840-T844 VanDerWaalsContact O-N 3.08Å; P840-T844 PolarHBondContact O-OG1 2.88Å; E841-T844 PolarHBondContact O-N 3.16Å; T844-T848 WeakPolarHBondContact O-CB 3.48Å; T844-T848 PolarHBondContact O-N 3.26Å; T844-T848 PolarHBondContact O-OG1 3.45Å |
| 845 | N | 96.5 | Very high | 94.5 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.7 | -30 | -177.3 | -66.9 | -26.6 | 0 | 0 | 0 | 112.9 | A796 L799 E841 H842 R843 T848 L849 | A796-N845 PolarHBondContact O-ND2 2.95Å; A796-N845 VanDerWaalsContact O-ND2 3.14Å; L799-N845 HydrophobicContact CB-CB 3.62Å; L799-N845 HydrophobicContact CD1-CB 4.23Å; E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 3.05Å; H842-N845 PolarHBondContact O-N 3.06Å; R843-N845 PolarHBondContact O-N 3.26Å; N845-T848 PolarHBondContact O-N 3.47Å; N845-L849 PolarHBondContact O-N 3.24Å |
| 846 | F | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -49.8 | 173.6 | 177 | -98.6 | 0 | 0 | 0 | 111.2 | L799 F825 T828 L829 I832 H842 R843 T848 L849 L850 | L799-F846 HydrophobicContact CD1-CB 4.12Å; F825-F846 AromaticContact CD2-CE2 3.81Å; F825-F846 HydrophobicContact CD2-CE2 3.81Å; F825-F846 AromaticContact CD2-CZ 3.79Å; F825-F846 HydrophobicContact CD2-CZ 3.79Å; F825-F846 HydrophobicContact CE2-CE2 4.13Å; F825-F846 AromaticContact CE2-CZ 3.6Å; F825-F846 HydrophobicContact CE2-CZ 3.6Å; F825-F846 HydrophobicContact CG-CE2 4.35Å; F825-F846 HydrophobicContact CZ-CZ 4.2Å; T828-F846 HydrophobicContact CG2-CB 4.03Å; T828-F846 HydrophobicContact CG2-CD2 3.72Å; T828-F846 HydrophobicContact CG2-CG 4.12Å; L829-F846 HydrophobicContact CD1-CZ 4.44Å; I832-F846 HydrophobicContact CD1-CB 4.41Å; I832-F846 HydrophobicContact CD1-CD1 3.7Å; I832-F846 HydrophobicContact CD1-CE1 4.12Å; I832-F846 HydrophobicContact CD1-CG 4.08Å; H842-F846 WeakPolarHBondContact O-CA 3.41Å; H842-F846 WeakPolarHBondContact O-CB 3.36Å; H842-F846 PolarHBondContact O-N 3.14Å; R843-F846 PolarHBondContact O-N 3.06Å; F846-T848 VanDerWaalsContact C-N 3.33Å; F846-T848 PolarHBondContact O-N 2.82Å; F846-L849 WeakPolarHBondContact O-CB 3.46Å; F846-L849 PolarHBondContact O-N 3.46Å; F846-L850 HydrophobicContact CD1-CD1 4.04Å; F846-L850 HydrophobicContact CE1-CD1 3.39Å; F846-L850 HydrophobicContact CE1-CG 4.2Å; F846-L850 HydrophobicContact CZ-CD1 3.74Å; F846-L850 HydrophobicContact CZ-CG 4.33Å; F846-L850 PolarHBondContact O-N 2.95Å |
| 847 | F | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.2 | -30.7 | 177.4 | -67.3 | -62.8 | 0 | 0 | 0 | 112.3 | I832 R843 L849 L850 Q851 S875 W878 A879 V887 T890 I894 | I832-F847 HydrophobicContact CD1-CE2 4.03Å; I832-F847 HydrophobicContact CD1-CZ 4.12Å; R843-F847 WeakPolarHBondContact O-CD2 3.35Å; R843-F847 PolarHBondContact O-N 3.41Å; R843-F847 VanDerWaalsContact O-N 3.14Å; F847-L849 VanDerWaalsContact C-N 3.33Å; F847-L849 PolarHBondContact O-N 3.02Å; F847-L850 HydrophobicContact CD1-CD1 4.1Å; F847-L850 HydrophobicContact CE1-CD1 4.21Å; F847-L850 PolarHBondContact O-N 3.28Å; F847-Q851 WeakPolarHBondContact O-CB 3.45Å; F847-Q851 PolarHBondContact O-N 3.47Å; F847-S875 WeakPolarHBondContact CE1-O 3.21Å; F847-S875 WeakPolarHBondContact CZ-O 3.41Å; F847-W878 AromaticContact CE2-CE3 3.99Å; F847-W878 HydrophobicContact CE2-CE3 3.99Å; F847-W878 AromaticContact CE2-CZ3 3.74Å; F847-W878 HydrophobicContact CE2-CZ3 3.74Å; F847-W878 AromaticContact CZ-CE3 3.73Å; F847-W878 HydrophobicContact CZ-CE3 3.73Å; F847-W878 AromaticContact CZ-CZ3 3.97Å; F847-W878 HydrophobicContact CZ-CZ3 3.97Å; F847-A879 HydrophobicContact CD1-CB 3.74Å; F847-A879 HydrophobicContact CD2-CB 3.95Å; F847-A879 HydrophobicContact CE1-CB 3.53Å; F847-A879 HydrophobicContact CE2-CB 3.76Å; F847-A879 HydrophobicContact CG-CB 3.98Å; F847-A879 HydrophobicContact CZ-CB 3.57Å; F847-V887 HydrophobicContact CD2-CG1 3.7Å; F847-V887 HydrophobicContact CE2-CG1 3.9Å; F847-T890 HydrophobicContact CB-CG2 3.9Å; F847-I894 HydrophobicContact CB-CD1 4.11Å; F847-I894 HydrophobicContact CD1-CD1 4.18Å; F847-I894 WeakPolarHBondContact O-CD1 3.44Å |
| 848 | T | 96.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 26% | 0.258 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 170.3 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | A803 T844 N845 F846 Q851 A852 | A803-T848 HydrophobicContact CB-CG2 4.07Å; T844-T848 WeakPolarHBondContact O-CB 3.48Å; T844-T848 PolarHBondContact O-N 3.26Å; T844-T848 PolarHBondContact O-OG1 3.45Å; N845-T848 PolarHBondContact O-N 3.47Å; F846-T848 VanDerWaalsContact C-N 3.33Å; F846-T848 PolarHBondContact O-N 2.82Å; T848-Q851 PolarHBondContact O-N 2.81Å; T848-A852 PolarHBondContact O-N 3.48Å |
| 849 | L | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 173.6 | 171.4 | 61.3 | 0 | 0 | 0 | 111.6 | L799 M802 A803 V806 V824 N845 F846 F847 Q851 A852 V853 | L799-L849 HydrophobicContact CD2-CD2 4.33Å; M802-L849 HydrophobicContact CB-CD1 3.81Å; M802-L849 HydrophobicContact CB-CD2 4.09Å; A803-L849 HydrophobicContact CB-CB 4.11Å; A803-L849 HydrophobicContact CB-CD1 4.36Å; V806-L849 HydrophobicContact CG2-CD1 4.15Å; V824-L849 HydrophobicContact CG2-CD2 3.58Å; N845-L849 PolarHBondContact O-N 3.24Å; F846-L849 WeakPolarHBondContact O-CB 3.46Å; F846-L849 PolarHBondContact O-N 3.46Å; F847-L849 VanDerWaalsContact C-N 3.33Å; F847-L849 PolarHBondContact O-N 3.02Å; L849-Q851 VanDerWaalsContact C-N 3.28Å; L849-Q851 PolarHBondContact O-N 3.18Å; L849-A852 WeakPolarHBondContact O-CB 3.44Å; L849-A852 PolarHBondContact O-N 2.81Å; L849-V853 HydrophobicContact CD1-CG2 4.01Å; L849-V853 WeakPolarHBondContact O-CG2 3.42Å; L849-V853 PolarHBondContact O-N 3.38Å |
| 850 | L | 96.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 177.8 | -70.7 | -176 | 0 | 0 | 0 | 112.7 | F825 F846 F847 V853 N854 I894 | F825-L850 HydrophobicContact CD2-CD2 3.98Å; F825-L850 HydrophobicContact CE2-CD1 4.14Å; F825-L850 HydrophobicContact CE2-CD2 3.78Å; F846-L850 HydrophobicContact CD1-CD1 4.04Å; F846-L850 HydrophobicContact CE1-CD1 3.39Å; F846-L850 HydrophobicContact CE1-CG 4.2Å; F846-L850 HydrophobicContact CZ-CD1 3.74Å; F846-L850 HydrophobicContact CZ-CG 4.33Å; F846-L850 PolarHBondContact O-N 2.95Å; F847-L850 HydrophobicContact CD1-CD1 4.1Å; F847-L850 HydrophobicContact CE1-CD1 4.21Å; F847-L850 PolarHBondContact O-N 3.28Å; L850-V853 PolarHBondContact O-N 3.17Å; L850-N854 VanDerWaalsContact O-CB 3.24Å; L850-N854 WeakPolarHBondContact O-CB 2.86Å; L850-N854 PolarHBondContact O-N 2.86Å; L850-I894 HydrophobicContact CB-CD1 4.19Å |
| 851 | Q | 97.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 22.4 Ų | 22.4 | 30% | 0.304 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.3 | -168.9 | 178.9 | 34.2 | 0 | 0 | 111.7 | F847 T848 L849 V853 N854 A855 I894 | F847-Q851 WeakPolarHBondContact O-CB 3.45Å; F847-Q851 PolarHBondContact O-N 3.47Å; T848-Q851 PolarHBondContact O-N 2.81Å; L849-Q851 VanDerWaalsContact C-N 3.28Å; L849-Q851 PolarHBondContact O-N 3.18Å; Q851-V853 PolarHBondContact O-N 3.43Å; Q851-N854 PolarHBondContact O-N 3Å; Q851-A855 VanDerWaalsContact O-CB 3.29Å; Q851-A855 WeakPolarHBondContact O-CB 3.33Å; Q851-A855 PolarHBondContact O-N 3.46Å; Q851-I894 HydrophobicContact CB-CD1 4.13Å; Q851-I894 HydrophobicContact CB-CG1 3.67Å; Q851-I894 HydrophobicContact CG-CG1 4.01Å |
| 852 | A | 96.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A803 V806 N807 T848 L849 N854 A855 H856 | A803-A852 HydrophobicContact CB-CB 4.31Å; V806-A852 HydrophobicContact CB-CB 4Å; V806-A852 VanDerWaalsContact CG1-C 3.47Å; V806-A852 HydrophobicContact CG1-CB 3.84Å; V806-A852 WeakPolarHBondContact CG1-O 3.31Å; N807-A852 WeakPolarHBondContact OD1-CA 3.36Å; N807-A852 WeakPolarHBondContact OD1-CB 3.29Å; T848-A852 PolarHBondContact O-N 3.48Å; L849-A852 WeakPolarHBondContact O-CB 3.44Å; L849-A852 PolarHBondContact O-N 2.81Å; A852-N854 PolarHBondContact O-N 3.24Å; A852-A855 PolarHBondContact O-N 2.9Å; A852-H856 PolarHBondContact O-N 2.74Å |
| 853 | V | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 179 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V806 L817 L821 L849 L850 Q851 C857 F858 L861 | V806-V853 HydrophobicContact CG1-CG2 4.16Å; V806-V853 HydrophobicContact CG2-CG2 3.99Å; L817-V853 HydrophobicContact CD1-CG2 4.02Å; L817-V853 HydrophobicContact CD2-CG1 4.29Å; L821-V853 HydrophobicContact CD2-CG2 4.49Å; L849-V853 HydrophobicContact CD1-CG2 4.01Å; L849-V853 WeakPolarHBondContact O-CG2 3.42Å; L849-V853 PolarHBondContact O-N 3.38Å; L850-V853 PolarHBondContact O-N 3.17Å; Q851-V853 PolarHBondContact O-N 3.43Å; V853-C857 HydrophobicContact CG1-CB 4.44Å; V853-C857 CarbonylContact O-C 3.57Å; V853-C857 VanDerWaalsContact O-CA 3.29Å; V853-C857 WeakPolarHBondContact O-CA 3.33Å; V853-C857 PolarHBondContact O-N 3.08Å; V853-F858 PolarHBondContact O-N 3.1Å; V853-L861 HydrophobicContact CG1-CD1 4.3Å; V853-L861 HydrophobicContact CG1-CD2 3.79Å; V853-L861 HydrophobicContact CG1-CG 4Å |
| 854 | N | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 178.6 | -173.5 | 49.9 | 0 | 0 | 0 | 112.5 | L850 Q851 A852 F858 L861 I894 M898 N901 | L850-N854 VanDerWaalsContact O-CB 3.24Å; L850-N854 WeakPolarHBondContact O-CB 2.86Å; L850-N854 PolarHBondContact O-N 2.86Å; Q851-N854 PolarHBondContact O-N 3Å; A852-N854 PolarHBondContact O-N 3.24Å; N854-F858 VanDerWaalsContact OD1-CD2 3.25Å; N854-F858 WeakPolarHBondContact OD1-CD2 3.39Å; N854-F858 WeakPolarHBondContact OD1-CE2 3.39Å; N854-L861 HydrophobicContact CB-CD1 4.15Å; N854-I894 HydrophobicContact CB-CG2 4.38Å; N854-I894 PolarHBondContact ND2-O 3.21Å; N854-M898 PolarHBondContact ND2-N 2.99Å; N854-M898 VanDerWaalsContact ND2-N 3.14Å; N854-N901 PolarHBondContact O-ND2 3.39Å |
| 855 | A | 95.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.7 | -45 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q851 A852 | Q851-A855 VanDerWaalsContact O-CB 3.29Å; Q851-A855 WeakPolarHBondContact O-CB 3.33Å; Q851-A855 PolarHBondContact O-N 3.46Å; A852-A855 PolarHBondContact O-N 2.9Å |
| 856 | H | 94 | Very high | 92.4 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -108.8 | -21.2 | -169.8 | -63 | -79.7 | 0 | 0 | 0 | 114.5 | V806 N807 E810 A852 | V806-H856 HydrophobicContact CG1-CB 4.43Å; N807-H856 PolarHBondContact OD1-CD2 3.44Å; N807-H856 PolarHBondContact OD1-NE2 3.31Å; E810-H856 HydrophobicContact CG-CB 4.32Å; E810-H856 IonicContact OE1-CE1 2.84Å; E810-H856 IonicContact OE1-ND1 3.63Å; A852-H856 PolarHBondContact O-N 2.74Å |
| 857 | C | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -128.1 | 34.5 | -174.4 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | E810 L814 L817 V853 S859 A860 | E810-C857 PolarHBondContact O-SG 3.31Å; L814-C857 HydrophobicContact CD2-CB 3.9Å; L817-C857 HydrophobicContact CD2-CB 3.59Å; V853-C857 HydrophobicContact CG1-CB 4.44Å; V853-C857 CarbonylContact O-C 3.57Å; V853-C857 VanDerWaalsContact O-CA 3.29Å; V853-C857 WeakPolarHBondContact O-CA 3.33Å; V853-C857 PolarHBondContact O-N 3.08Å; C857-S859 PolarHBondContact O-N 2.89Å; C857-S859 VanDerWaalsContact O-N 3.13Å; C857-A860 WeakPolarHBondContact O-CB 3.39Å; C857-A860 PolarHBondContact O-N 2.88Å | ||
| 858 | F | 91.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -31.6 | -177.5 | -168.9 | -109.9 | 0 | 0 | 0 | 113.5 | V853 N854 A860 L861 L862 M898 N901 M902 | V853-F858 PolarHBondContact O-N 3.1Å; N854-F858 VanDerWaalsContact OD1-CD2 3.25Å; N854-F858 WeakPolarHBondContact OD1-CD2 3.39Å; N854-F858 WeakPolarHBondContact OD1-CE2 3.39Å; F858-A860 PolarHBondContact O-N 3.42Å; F858-L861 HydrophobicContact CD2-CD1 4.1Å; F858-L861 WeakPolarHBondContact O-CB 3.43Å; F858-L861 PolarHBondContact O-N 3.25Å; F858-L862 HydrophobicContact CD1-CD1 3.77Å; F858-L862 HydrophobicContact CD1-CD2 4.49Å; F858-L862 HydrophobicContact CD1-CG 3.89Å; F858-L862 HydrophobicContact CE1-CD1 3.72Å; F858-L862 HydrophobicContact CE1-CD2 3.8Å; F858-L862 HydrophobicContact CE1-CG 3.7Å; F858-L862 HydrophobicContact CZ-CD2 4.14Å; F858-L862 HydrophobicContact CZ-CG 4.36Å; F858-L862 PolarHBondContact O-N 3.48Å; F858-M898 HydrophobicContact CE2-CG 4.1Å; F858-N901 HydrophobicContact CB-CB 4.48Å; F858-N901 HydrophobicContact CD1-CB 3.62Å; F858-N901 HydrophobicContact CD2-CB 3.82Å; F858-N901 HydrophobicContact CE1-CB 3.59Å; F858-N901 HydrophobicContact CE2-CB 3.82Å; F858-N901 HydrophobicContact CG-CB 3.71Å; F858-N901 HydrophobicContact CZ-CB 3.69Å; F858-M902 HydrophobicContact CE1-CE 4.43Å; F858-M902 HydrophobicContact CZ-CB 4.13Å; F858-M902 HydrophobicContact CZ-CE 3.9Å |
| 859 | S | 88.7 | Confident | 91.3 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.9 | -34.1 | 175.3 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | C857 L862 S863 | C857-S859 PolarHBondContact O-N 2.89Å; C857-S859 VanDerWaalsContact O-N 3.13Å; S859-L862 PolarHBondContact O-N 3Å; S859-S863 PolarHBondContact O-N 3.45Å |
| 860 | A | 88.1 | Confident | 91 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.5 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L814 L817 C857 F858 L862 S863 | L814-A860 HydrophobicContact CD2-CB 3.86Å; L817-A860 HydrophobicContact CD2-CB 3.48Å; L817-A860 VanDerWaalsContact CD2-CB 3.48Å; C857-A860 WeakPolarHBondContact O-CB 3.39Å; C857-A860 PolarHBondContact O-N 2.88Å; F858-A860 PolarHBondContact O-N 3.42Å; A860-L862 VanDerWaalsContact C-N 3.29Å; A860-L862 PolarHBondContact O-N 3.24Å; A860-S863 PolarHBondContact O-N 3.36Å; A860-S863 PolarHBondContact O-OG 2.87Å |
| 861 | L | 87.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 172.3 | -62.5 | -177.5 | 0 | 0 | 0 | 110.7 | V853 N854 F858 S863 L864 F869 I872 | V853-L861 HydrophobicContact CG1-CD1 4.3Å; V853-L861 HydrophobicContact CG1-CD2 3.79Å; V853-L861 HydrophobicContact CG1-CG 4Å; N854-L861 HydrophobicContact CB-CD1 4.15Å; F858-L861 HydrophobicContact CD2-CD1 4.1Å; F858-L861 WeakPolarHBondContact O-CB 3.43Å; F858-L861 PolarHBondContact O-N 3.25Å; L861-S863 PolarHBondContact O-N 3.42Å; L861-L864 HydrophobicContact CD2-CD1 4.01Å; L861-L864 WeakPolarHBondContact O-CB 3.28Å; L861-L864 PolarHBondContact O-N 3.47Å; L861-F869 HydrophobicContact CB-CE2 4.23Å; L861-F869 WeakPolarHBondContact O-CD2 3.35Å; L861-I872 HydrophobicContact CD2-CD1 3.66Å |
| 862 | L | 86.3 | Confident | 90.7 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.9 | 176.4 | -68.5 | 179.5 | 0 | 0 | 0 | 114.5 | F858 S859 A860 M902 A905 K909 | F858-L862 HydrophobicContact CD1-CD1 3.77Å; F858-L862 HydrophobicContact CD1-CD2 4.49Å; F858-L862 HydrophobicContact CD1-CG 3.89Å; F858-L862 HydrophobicContact CE1-CD1 3.72Å; F858-L862 HydrophobicContact CE1-CD2 3.8Å; F858-L862 HydrophobicContact CE1-CG 3.7Å; F858-L862 HydrophobicContact CZ-CD2 4.14Å; F858-L862 HydrophobicContact CZ-CG 4.36Å; F858-L862 PolarHBondContact O-N 3.48Å; S859-L862 PolarHBondContact O-N 3Å; A860-L862 VanDerWaalsContact C-N 3.29Å; A860-L862 PolarHBondContact O-N 3.24Å; L862-M902 HydrophobicContact CD2-CE 3.4Å; L862-M902 HydrophobicContact CD2-SD 3.95Å; L862-A905 HydrophobicContact CD1-CB 4.07Å; L862-K909 HydrophobicContact CB-CD 4.25Å; L862-K909 HydrophobicContact CD2-CD 4.37Å; L862-K909 PolarHBondContact O-NZ 2.9Å |
| 863 | S | 86 | Confident | 90.6 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6.3 | 176.6 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | S859 A860 L861 | S859-S863 PolarHBondContact O-N 3.45Å; A860-S863 PolarHBondContact O-N 3.36Å; A860-S863 PolarHBondContact O-OG 2.87Å; L861-S863 PolarHBondContact O-N 3.42Å |
| 864 | L | 86.2 | Confident | 90.5 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.8 | 156 | 175.5 | -62.2 | 176.9 | 0 | 0 | 0 | 111.9 | L861 K868 I872 | L861-L864 HydrophobicContact CD2-CD1 4.01Å; L861-L864 WeakPolarHBondContact O-CB 3.28Å; L861-L864 PolarHBondContact O-N 3.47Å; L864-K868 HydrophobicContact CB-CB 4.2Å; L864-K868 HydrophobicContact CD2-CD 4.32Å; L864-I872 HydrophobicContact CD1-CD1 3.4Å; L864-I872 VanDerWaalsContact CD1-CD1 3.4Å |
| 865 | T | 87.7 | Confident | 90.5 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | trans | -65.8 | 155 | 167.9 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | D867 K868 F869 | T865-D867 VanDerWaalsContact C-N 3.25Å; T865-D867 PolarHBondContact O-N 3.23Å; T865-K868 PolarHBondContact O-N 2.68Å; T865-K868 VanDerWaalsContact O-N 3.15Å; T865-F869 PolarHBondContact O-N 2.89Å | ||
| 866 | S | 86.1 | Confident | 90.6 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 54% | 0.538 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.1 | -40.5 | -179.7 | -172 | 0 | 0 | 0 | 0 | 112.4 | F869 K870 | S866-F869 PolarHBondContact O-N 2.8Å; S866-K870 WeakPolarHBondContact O-CB 3.5Å; S866-K870 PolarHBondContact O-N 3.04Å |
| 867 | D | 88.8 | Confident | 90.7 | Very high | 134 Ų | 134 | 44.1 Ų | 44.1 | 72% | 0.717 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.2 | -44.5 | 177.9 | -58.9 | -29.6 | 0 | 0 | 0 | 112.9 | T865 K870 L871 | T865-D867 VanDerWaalsContact C-N 3.25Å; T865-D867 PolarHBondContact O-N 3.23Å; D867-K870 PolarHBondContact O-N 3.32Å; D867-L871 PolarHBondContact O-N 3.36Å |
| 868 | K | 88.9 | Confident | 90.7 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 46% | 0.457 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 177.8 | -75.5 | -169.5 | 176.3 | -164.3 | 0 | 111.2 | D822 L864 T865 K870 L871 I872 | D822-K868 IonicContact OD1-NZ 3.52Å; L864-K868 HydrophobicContact CB-CB 4.2Å; L864-K868 HydrophobicContact CD2-CD 4.32Å; T865-K868 PolarHBondContact O-N 2.68Å; T865-K868 VanDerWaalsContact O-N 3.15Å; K868-K870 VanDerWaalsContact C-N 3.34Å; K868-L871 PolarHBondContact O-N 3.18Å; K868-I872 PolarHBondContact O-N 3.07Å |
| 869 | F | 90.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176 | -169.8 | -75.4 | 0 | 0 | 0 | 110.9 | L861 T865 S866 L871 I872 L873 M898 M902 F913 F917 | L861-F869 HydrophobicContact CB-CE2 4.23Å; L861-F869 WeakPolarHBondContact O-CD2 3.35Å; T865-F869 PolarHBondContact O-N 2.89Å; S866-F869 PolarHBondContact O-N 2.8Å; F869-L871 VanDerWaalsContact C-N 3.32Å; F869-L871 PolarHBondContact O-N 3.19Å; F869-I872 WeakPolarHBondContact O-CB 3.22Å; F869-I872 PolarHBondContact O-N 3.14Å; F869-L873 PolarHBondContact O-N 3.25Å; F869-M898 HydrophobicContact CE1-SD 4.35Å; F869-M898 HydrophobicContact CZ-SD 3.94Å; F869-M902 HydrophobicContact CZ-CE 4.33Å; F869-F913 AromaticContact CE1-CD2 3.79Å; F869-F913 HydrophobicContact CE1-CD2 3.79Å; F869-F913 AromaticContact CE1-CE2 3.52Å; F869-F913 HydrophobicContact CE1-CE2 3.52Å; F869-F913 AromaticContact CZ-CD2 4Å; F869-F913 HydrophobicContact CZ-CD2 4Å; F869-F913 AromaticContact CZ-CE2 3.77Å; F869-F913 HydrophobicContact CZ-CE2 3.77Å; F869-F917 AromaticContact CD1-CE2 3.99Å; F869-F917 HydrophobicContact CD1-CE2 3.99Å; F869-F917 HydrophobicContact CD1-CZ 4.36Å; F869-F917 HydrophobicContact CE1-CE2 4.38Å |
| 870 | K | 92.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 175.2 | 175.3 | 166.3 | 172.7 | 42.6 | 0 | 111.6 | S866 D867 K868 I872 L873 D874 F917 | S866-K870 WeakPolarHBondContact O-CB 3.5Å; S866-K870 PolarHBondContact O-N 3.04Å; D867-K870 PolarHBondContact O-N 3.32Å; K868-K870 VanDerWaalsContact C-N 3.34Å; K870-I872 VanDerWaalsContact C-N 3.3Å; K870-I872 PolarHBondContact O-N 3.22Å; K870-L873 PolarHBondContact O-N 3.25Å; K870-L873 VanDerWaalsContact O-N 3.14Å; K870-D874 WeakPolarHBondContact CE-OD2 3.49Å; K870-D874 WeakPolarHBondContact CG-OD2 3.42Å; K870-D874 VanDerWaalsContact NZ-CG 3.27Å; K870-D874 IonicContact NZ-OD1 3.67Å; K870-D874 PolarHBondContact NZ-OD1 3.42Å; K870-D874 IonicContact NZ-OD2 3.9Å; K870-D874 PolarHBondContact NZ-OD2 2.67Å; K870-D874 WeakPolarHBondContact O-CB 3.42Å; K870-D874 VanDerWaalsContact O-CG 3.25Å; K870-D874 PolarHBondContact O-N 2.88Å; K870-F917 HydrophobicContact CB-CE1 4.01Å; K870-F917 HydrophobicContact CB-CZ 4.09Å; K870-F917 HydrophobicContact CD-CE1 4.33Å; K870-F917 HydrophobicContact CG-CE1 4.16Å |
| 871 | L | 93 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 177.8 | -172.3 | 63.3 | 0 | 0 | 0 | 112.6 | F825 L829 D867 K868 F869 S875 | F825-L871 HydrophobicContact CE1-CD2 3.73Å; F825-L871 HydrophobicContact CE1-CG 3.87Å; F825-L871 HydrophobicContact CZ-CG 4.37Å; L829-L871 HydrophobicContact CD2-CD1 3.7Å; L829-L871 HydrophobicContact CD2-CD2 4.24Å; L829-L871 HydrophobicContact CD2-CG 3.89Å; D867-L871 PolarHBondContact O-N 3.36Å; K868-L871 PolarHBondContact O-N 3.18Å; F869-L871 VanDerWaalsContact C-N 3.32Å; F869-L871 PolarHBondContact O-N 3.19Å; L871-S875 PolarHBondContact O-N 2.87Å |
| 872 | I | 93.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 173.2 | -65.8 | 173.6 | 0 | 0 | 0 | 110.3 | F825 L861 L864 K868 F869 K870 D874 S875 V876 M898 | F825-I872 HydrophobicContact CE1-CG1 4.46Å; F825-I872 HydrophobicContact CE2-CG1 3.71Å; F825-I872 HydrophobicContact CZ-CB 4.39Å; F825-I872 HydrophobicContact CZ-CG1 3.62Å; L861-I872 HydrophobicContact CD2-CD1 3.66Å; L864-I872 HydrophobicContact CD1-CD1 3.4Å; L864-I872 VanDerWaalsContact CD1-CD1 3.4Å; K868-I872 PolarHBondContact O-N 3.07Å; F869-I872 WeakPolarHBondContact O-CB 3.22Å; F869-I872 PolarHBondContact O-N 3.14Å; K870-I872 VanDerWaalsContact C-N 3.3Å; K870-I872 PolarHBondContact O-N 3.22Å; I872-D874 VanDerWaalsContact C-N 3.34Å; I872-D874 PolarHBondContact O-N 3.47Å; I872-S875 PolarHBondContact O-N 3.45Å; I872-S875 PolarHBondContact O-OG 3.49Å; I872-V876 WeakPolarHBondContact O-CG2 3.39Å; I872-V876 PolarHBondContact O-N 3.49Å; I872-M898 HydrophobicContact CG2-CE 4.34Å |
| 873 | L | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.9 | -176.5 | 63.9 | 0 | 0 | 0 | 111.8 | F869 K870 S875 V876 I877 L895 M898 F917 I921 | F869-L873 PolarHBondContact O-N 3.25Å; K870-L873 PolarHBondContact O-N 3.25Å; K870-L873 VanDerWaalsContact O-N 3.14Å; L873-S875 VanDerWaalsContact C-N 3.31Å; L873-S875 PolarHBondContact O-N 3.07Å; L873-V876 PolarHBondContact O-N 2.97Å; L873-V876 VanDerWaalsContact O-N 3.13Å; L873-I877 HydrophobicContact CD1-CD1 4.48Å; L873-I877 HydrophobicContact CG-CD1 3.97Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 3.13Å; L873-L895 HydrophobicContact CD1-CD1 4.02Å; L873-M898 HydrophobicContact CD1-SD 4.05Å; L873-F917 HydrophobicContact CD2-CB 3.73Å; L873-F917 HydrophobicContact CD2-CD1 3.57Å; L873-F917 HydrophobicContact CD2-CD2 4.3Å; L873-F917 HydrophobicContact CD2-CE1 4.22Å; L873-F917 HydrophobicContact CD2-CG 3.61Å; L873-I921 HydrophobicContact CD1-CD1 4.01Å; L873-I921 HydrophobicContact CD1-CG1 4.16Å; L873-I921 HydrophobicContact CD2-CD1 4.02Å; L873-I921 HydrophobicContact CD2-CG1 4.05Å |
| 874 | D | 94.7 | Very high | 91.8 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 177.2 | -69 | -16.8 | 0 | 0 | 0 | 111 | K870 I872 V876 I877 W878 | K870-D874 WeakPolarHBondContact CE-OD2 3.49Å; K870-D874 WeakPolarHBondContact CG-OD2 3.42Å; K870-D874 VanDerWaalsContact NZ-CG 3.27Å; K870-D874 IonicContact NZ-OD1 3.67Å; K870-D874 PolarHBondContact NZ-OD1 3.42Å; K870-D874 IonicContact NZ-OD2 3.9Å; K870-D874 PolarHBondContact NZ-OD2 2.67Å; K870-D874 WeakPolarHBondContact O-CB 3.42Å; K870-D874 VanDerWaalsContact O-CG 3.25Å; K870-D874 PolarHBondContact O-N 2.88Å; I872-D874 VanDerWaalsContact C-N 3.34Å; I872-D874 PolarHBondContact O-N 3.47Å; D874-V876 PolarHBondContact O-N 3.27Å; D874-I877 PolarHBondContact O-N 3.31Å; D874-W878 VanDerWaalsContact O-CB 3.3Å; D874-W878 WeakPolarHBondContact O-CB 3.39Å; D874-W878 PolarHBondContact O-N 2.86Å |
| 875 | S | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 174.3 | 78 | 0 | 0 | 0 | 0 | 112.9 | F847 L871 I872 L873 W878 A879 | F847-S875 WeakPolarHBondContact CE1-O 3.21Å; F847-S875 WeakPolarHBondContact CZ-O 3.41Å; L871-S875 PolarHBondContact O-N 2.87Å; I872-S875 PolarHBondContact O-N 3.45Å; I872-S875 PolarHBondContact O-OG 3.49Å; L873-S875 VanDerWaalsContact C-N 3.31Å; L873-S875 PolarHBondContact O-N 3.07Å; S875-W878 WeakPolarHBondContact O-CB 3.24Å; S875-W878 PolarHBondContact O-N 3.2Å; S875-A879 PolarHBondContact O-N 3.34Å |
| 876 | V | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I872 L873 D874 W878 A879 I880 G891 I894 L895 | I872-V876 WeakPolarHBondContact O-CG2 3.39Å; I872-V876 PolarHBondContact O-N 3.49Å; L873-V876 PolarHBondContact O-N 2.97Å; L873-V876 VanDerWaalsContact O-N 3.13Å; D874-V876 PolarHBondContact O-N 3.27Å; V876-W878 VanDerWaalsContact C-N 3.27Å; V876-W878 PolarHBondContact O-N 3.23Å; V876-A879 WeakPolarHBondContact O-CB 3.49Å; V876-A879 PolarHBondContact O-N 3.27Å; V876-I880 HydrophobicContact CG1-CD1 4.24Å; V876-I880 WeakPolarHBondContact O-CG1 3.4Å; V876-I880 PolarHBondContact O-N 3.4Å; V876-G891 WeakPolarHBondContact CG1-O 3.5Å; V876-I894 HydrophobicContact CG1-CB 4.15Å; V876-I894 HydrophobicContact CG1-CG2 4.03Å; V876-I894 HydrophobicContact CG2-CB 4.39Å; V876-I894 HydrophobicContact CG2-CG2 3.61Å; V876-L895 HydrophobicContact CG1-CB 3.9Å |
| 877 | I | 95.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 173.3 | -70.9 | 158.3 | 0 | 0 | 0 | 110.6 | L873 D874 A879 I880 K881 H924 | L873-I877 HydrophobicContact CD1-CD1 4.48Å; L873-I877 HydrophobicContact CG-CD1 3.97Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 3.13Å; D874-I877 PolarHBondContact O-N 3.31Å; I877-A879 VanDerWaalsContact C-N 3.35Å; I877-I880 PolarHBondContact O-N 3.01Å; I877-K881 HydrophobicContact CG2-CD 4.37Å; I877-K881 WeakPolarHBondContact O-CG 3.34Å; I877-K881 PolarHBondContact O-N 3.49Å; I877-H924 HydrophobicContact CG2-CB 3.87Å |
| 878 | W | 94.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176 | -177.4 | 99.1 | 0 | 0 | 0 | 111.3 | I832 D835 L836 F847 D874 S875 V876 I880 K881 H882 | I832-W878 WeakPolarHBondContact O-CH2 3.36Å; I832-W878 WeakPolarHBondContact O-CZ2 3.47Å; D835-W878 WeakPolarHBondContact O-CZ2 3.43Å; L836-W878 HydrophobicContact CD2-CH2 4.04Å; L836-W878 HydrophobicContact CD2-CZ2 3.51Å; F847-W878 AromaticContact CE2-CE3 3.99Å; F847-W878 HydrophobicContact CE2-CE3 3.99Å; F847-W878 AromaticContact CE2-CZ3 3.74Å; F847-W878 HydrophobicContact CE2-CZ3 3.74Å; F847-W878 AromaticContact CZ-CE3 3.73Å; F847-W878 HydrophobicContact CZ-CE3 3.73Å; F847-W878 AromaticContact CZ-CZ3 3.97Å; F847-W878 HydrophobicContact CZ-CZ3 3.97Å; D874-W878 VanDerWaalsContact O-CB 3.3Å; D874-W878 WeakPolarHBondContact O-CB 3.39Å; D874-W878 PolarHBondContact O-N 2.86Å; S875-W878 WeakPolarHBondContact O-CB 3.24Å; S875-W878 PolarHBondContact O-N 3.2Å; V876-W878 VanDerWaalsContact C-N 3.27Å; V876-W878 PolarHBondContact O-N 3.23Å; W878-I880 PolarHBondContact O-N 3.02Å; W878-K881 PolarHBondContact O-N 2.87Å; W878-H882 AromaticContact CH2-CD2 3.12Å; W878-H882 WeakPolarHBondContact CH2-CD2 3.44Å; W878-H882 AromaticContact CH2-NE2 3.39Å; W878-H882 WeakPolarHBondContact CH2-NE2 3.48Å; W878-H882 AromaticContact CZ2-CD2 3.98Å; W878-H882 AromaticContact CZ3-CD2 3.46Å; W878-H882 VanDerWaalsContact CZ3-CD2 3.46Å; W878-H882 WeakPolarHBondContact CZ3-CD2 3.24Å |
| 879 | A | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F847 S875 V876 I877 K881 H882 V887 S888 | F847-A879 HydrophobicContact CD1-CB 3.74Å; F847-A879 HydrophobicContact CD2-CB 3.95Å; F847-A879 HydrophobicContact CE1-CB 3.53Å; F847-A879 HydrophobicContact CE2-CB 3.76Å; F847-A879 HydrophobicContact CG-CB 3.98Å; F847-A879 HydrophobicContact CZ-CB 3.57Å; S875-A879 PolarHBondContact O-N 3.34Å; V876-A879 WeakPolarHBondContact O-CB 3.49Å; V876-A879 PolarHBondContact O-N 3.27Å; I877-A879 VanDerWaalsContact C-N 3.35Å; A879-K881 PolarHBondContact O-N 3.45Å; A879-H882 WeakPolarHBondContact O-CB 3.49Å; A879-H882 PolarHBondContact O-N 3.18Å; A879-V887 HydrophobicContact CB-CG1 3.91Å; A879-S888 WeakPolarHBondContact O-CA 3.42Å; A879-S888 PolarHBondContact O-N 3.02Å |
| 880 | I | 95.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -36.2 | -179.8 | -67.9 | 166.6 | 0 | 0 | 0 | 111.3 | V876 I877 W878 H882 S888 G891 L892 L895 M925 V928 | V876-I880 HydrophobicContact CG1-CD1 4.24Å; V876-I880 WeakPolarHBondContact O-CG1 3.4Å; V876-I880 PolarHBondContact O-N 3.4Å; I877-I880 PolarHBondContact O-N 3.01Å; W878-I880 PolarHBondContact O-N 3.02Å; I880-H882 PolarHBondContact O-N 2.67Å; I880-S888 PolarHBondContact O-OG 3.39Å; I880-G891 VanDerWaalsContact CG1-C 3.45Å; I880-L892 HydrophobicContact CD1-CD2 4.29Å; I880-L892 HydrophobicContact CG1-CD2 4.11Å; I880-L892 HydrophobicContact CG1-CG 4.14Å; I880-L892 HydrophobicContact CG2-CD2 3.7Å; I880-L892 HydrophobicContact CG2-CG 4.12Å; I880-L895 HydrophobicContact CD1-CB 3.96Å; I880-L895 HydrophobicContact CD1-CD2 3.45Å; I880-L895 VanDerWaalsContact CD1-CD2 3.45Å; I880-L895 HydrophobicContact CD1-CG 4.36Å; I880-M925 HydrophobicContact CD1-SD 4.28Å; I880-M925 HydrophobicContact CG2-SD 4.28Å; I880-V928 HydrophobicContact CG2-CB 4.33Å; I880-V928 HydrophobicContact CG2-CG1 3.93Å; I880-V928 HydrophobicContact CG2-CG2 3.84Å |
| 881 | K | 92.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0 | 178.4 | -67.8 | 174.5 | -175.7 | 174.4 | 0 | 114.1 | I877 W878 A879 H924 V928 Q934 | I877-K881 HydrophobicContact CG2-CD 4.37Å; I877-K881 WeakPolarHBondContact O-CG 3.34Å; I877-K881 PolarHBondContact O-N 3.49Å; W878-K881 PolarHBondContact O-N 2.87Å; A879-K881 PolarHBondContact O-N 3.45Å; K881-H924 PolarHBondContact NZ-CE1 2.92Å; K881-H924 VanDerWaalsContact NZ-CE1 3.34Å; K881-H924 PolarHBondContact NZ-ND1 3.49Å; K881-V928 HydrophobicContact CG-CG2 3.59Å; K881-Q934 PolarHBondContact O-NE2 2.85Å |
| 882 | H | 91.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -72.4 | 145 | -173.6 | -152 | -82.5 | 0 | 0 | 0 | 113 | L836 R843 W878 A879 I880 M884 V887 Q934 | L836-H882 PolarHBondContact O-CE1 3.42Å; L836-H882 PolarHBondContact O-NE2 2.92Å; R843-H882 WeakPolarHBondContact CD-NE2 3.5Å; W878-H882 AromaticContact CH2-CD2 3.12Å; W878-H882 WeakPolarHBondContact CH2-CD2 3.44Å; W878-H882 AromaticContact CH2-NE2 3.39Å; W878-H882 WeakPolarHBondContact CH2-NE2 3.48Å; W878-H882 AromaticContact CZ2-CD2 3.98Å; W878-H882 AromaticContact CZ3-CD2 3.46Å; W878-H882 VanDerWaalsContact CZ3-CD2 3.46Å; W878-H882 WeakPolarHBondContact CZ3-CD2 3.24Å; A879-H882 WeakPolarHBondContact O-CB 3.49Å; A879-H882 PolarHBondContact O-N 3.18Å; I880-H882 PolarHBondContact O-N 2.67Å; H882-M884 VanDerWaalsContact CE1-SD 3.55Å; H882-M884 VanDerWaalsContact ND1-CB 3.3Å; H882-M884 WeakPolarHBondContact ND1-CB 3.23Å; H882-M884 PolarHBondContact ND1-N 2.96Å; H882-V887 HydrophobicContact CB-CB 4.07Å; H882-V887 HydrophobicContact CB-CG1 3.78Å; H882-Q934 PolarHBondContact O-NE2 3.43Å; H882-Q934 PolarHBondContact O-OE1 2.97Å | ||
| 883 | T | 87.9 | Confident | 93.6 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 56% | 0.558 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -75 | -34.3 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | L836 R885 | L836-T883 HydrophobicContact CD1-CG2 4.08Å; T883-R885 PolarHBondContact O-N 3.48Å; T883-R885 VanDerWaalsContact O-N 3.14Å |
| 884 | M | 88.3 | Confident | 93.8 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -63.1 | 111.6 | 169.3 | -60.9 | 172.6 | 67 | 0 | 0 | 111 | P840 H882 Q886 V887 S888 | P840-M884 HydrophobicContact CB-CE 4.03Å; P840-M884 HydrophobicContact CB-SD 4.22Å; H882-M884 VanDerWaalsContact CE1-SD 3.55Å; H882-M884 VanDerWaalsContact ND1-CB 3.3Å; H882-M884 WeakPolarHBondContact ND1-CB 3.23Å; H882-M884 PolarHBondContact ND1-N 2.96Å; M884-Q886 VanDerWaalsContact C-N 3.3Å; M884-Q886 PolarHBondContact O-N 3.12Å; M884-V887 HydrophobicContact CB-CB 4.36Å; M884-V887 HydrophobicContact CB-CG2 4.17Å; M884-V887 HydrophobicContact CE-CG2 4.45Å; M884-V887 PolarHBondContact O-N 2.95Å; M884-V887 VanDerWaalsContact O-N 3.09Å; M884-V887 HydrophobicContact SD-CG2 4.42Å; M884-S888 PolarHBondContact O-N 3.42Å; M884-S888 VanDerWaalsContact O-N 3.15Å |
| 885 | R | 88.5 | Confident | 93.9 | Very high | 159 Ų | 159 | 34.4 Ų | 34.4 | 60% | 0.6 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -52.4 | -42.8 | -176.1 | -172.9 | 177.7 | -177.3 | 179.9 | -0.2 | 113.9 | T883 V887 S888 E889 G936 N937 | T883-R885 PolarHBondContact O-N 3.48Å; T883-R885 VanDerWaalsContact O-N 3.14Å; R885-V887 PolarHBondContact O-N 3.3Å; R885-S888 PolarHBondContact O-N 2.88Å; R885-E889 VanDerWaalsContact O-CB 3.27Å; R885-E889 WeakPolarHBondContact O-CB 3.32Å; R885-E889 PolarHBondContact O-N 3.27Å; R885-G936 PolarHBondContact NH2-O 3.48Å; R885-G936 VanDerWaalsContact NH2-O 3.13Å; R885-N937 PolarHBondContact NE-OD1 3.01Å |
| 886 | Q | 89.4 | Confident | 94 | Very high | 115 Ų | 115 | 37 Ų | 37 | 54% | 0.537 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | -179.3 | -176.5 | -178.9 | -2.8 | 0 | 0 | 112.6 | M884 T890 | M884-Q886 VanDerWaalsContact C-N 3.3Å; M884-Q886 PolarHBondContact O-N 3.12Å; Q886-T890 WeakPolarHBondContact O-CB 3.28Å; Q886-T890 PolarHBondContact O-N 3.27Å; Q886-T890 PolarHBondContact O-OG1 3.46Å |
| 887 | V | 93.7 | Very high | 94 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 110 | R843 F847 A879 H882 M884 R885 T890 G891 | R843-V887 HydrophobicContact CB-CG2 4.33Å; F847-V887 HydrophobicContact CD2-CG1 3.7Å; F847-V887 HydrophobicContact CE2-CG1 3.9Å; A879-V887 HydrophobicContact CB-CG1 3.91Å; H882-V887 HydrophobicContact CB-CB 4.07Å; H882-V887 HydrophobicContact CB-CG1 3.78Å; M884-V887 HydrophobicContact CB-CB 4.36Å; M884-V887 HydrophobicContact CB-CG2 4.17Å; M884-V887 HydrophobicContact CE-CG2 4.45Å; M884-V887 PolarHBondContact O-N 2.95Å; M884-V887 VanDerWaalsContact O-N 3.09Å; M884-V887 HydrophobicContact SD-CG2 4.42Å; R885-V887 PolarHBondContact O-N 3.3Å; V887-T890 PolarHBondContact O-N 2.97Å; V887-G891 PolarHBondContact O-N 3.23Å |
| 888 | S | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | A879 I880 M884 R885 T890 G891 L892 Q934 N937 | A879-S888 WeakPolarHBondContact O-CA 3.42Å; A879-S888 PolarHBondContact O-N 3.02Å; I880-S888 PolarHBondContact O-OG 3.39Å; M884-S888 PolarHBondContact O-N 3.42Å; M884-S888 VanDerWaalsContact O-N 3.15Å; R885-S888 PolarHBondContact O-N 2.88Å; S888-T890 PolarHBondContact O-N 3.21Å; S888-G891 PolarHBondContact O-N 2.98Å; S888-L892 WeakPolarHBondContact O-CG 3.38Å; S888-L892 PolarHBondContact O-N 2.97Å; S888-Q934 PolarHBondContact OG-OE1 3.15Å; S888-N937 WeakPolarHBondContact CB-ND2 3.5Å; S888-N937 PolarHBondContact OG-ND2 3.23Å |
| 889 | E | 94.5 | Very high | 94 | Very high | 79 Ų | 79 | 36.5 Ų | 36.5 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 176 | 173.7 | 166.8 | -167.2 | 0 | 0 | 111.9 | R885 L892 N893 N937 L940 | R885-E889 VanDerWaalsContact O-CB 3.27Å; R885-E889 WeakPolarHBondContact O-CB 3.32Å; R885-E889 PolarHBondContact O-N 3.27Å; E889-L892 PolarHBondContact O-N 2.91Å; E889-N893 WeakPolarHBondContact O-CB 3.32Å; E889-N893 PolarHBondContact O-N 3.35Å; E889-N893 PolarHBondContact O-ND2 3.13Å; E889-N893 VanDerWaalsContact O-ND2 3.07Å; E889-N937 PolarHBondContact N-ND2 3.49Å; E889-L940 HydrophobicContact CB-CD1 4.34Å; E889-L940 HydrophobicContact CG-CD1 3.67Å |
| 890 | T | 95.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | F847 Q886 V887 S888 L892 N893 I894 | F847-T890 HydrophobicContact CB-CG2 3.9Å; Q886-T890 WeakPolarHBondContact O-CB 3.28Å; Q886-T890 PolarHBondContact O-N 3.27Å; Q886-T890 PolarHBondContact O-OG1 3.46Å; V887-T890 PolarHBondContact O-N 2.97Å; S888-T890 PolarHBondContact O-N 3.21Å; T890-L892 PolarHBondContact O-N 3.19Å; T890-N893 PolarHBondContact O-N 2.93Å; T890-I894 HydrophobicContact CG2-CD1 4.06Å; T890-I894 HydrophobicContact CG2-CG1 4.45Å; T890-I894 VanDerWaalsContact O-CG1 3.23Å; T890-I894 WeakPolarHBondContact O-CG1 3.29Å; T890-I894 PolarHBondContact O-N 3.4Å |
| 891 | G | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V876 I880 V887 S888 N893 I894 L895 | V876-G891 WeakPolarHBondContact CG1-O 3.5Å; I880-G891 VanDerWaalsContact CG1-C 3.45Å; V887-G891 PolarHBondContact O-N 3.23Å; S888-G891 PolarHBondContact O-N 2.98Å; G891-N893 VanDerWaalsContact C-N 3.35Å; G891-N893 PolarHBondContact O-N 3.08Å; G891-I894 PolarHBondContact O-N 3.01Å; G891-L895 PolarHBondContact O-N 3.28Å |
| 892 | L | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.7 | -73.8 | 167.7 | 0 | 0 | 0 | 111.5 | I880 S888 E889 T890 L895 H896 M925 N937 L940 Q941 L944 | I880-L892 HydrophobicContact CD1-CD2 4.29Å; I880-L892 HydrophobicContact CG1-CD2 4.11Å; I880-L892 HydrophobicContact CG1-CG 4.14Å; I880-L892 HydrophobicContact CG2-CD2 3.7Å; I880-L892 HydrophobicContact CG2-CG 4.12Å; S888-L892 WeakPolarHBondContact O-CG 3.38Å; S888-L892 PolarHBondContact O-N 2.97Å; E889-L892 PolarHBondContact O-N 2.91Å; T890-L892 PolarHBondContact O-N 3.19Å; L892-L895 PolarHBondContact O-N 3.2Å; L892-H896 WeakPolarHBondContact O-CB 3.34Å; L892-H896 PolarHBondContact O-N 3.34Å; L892-M925 HydrophobicContact CD2-CE 3.76Å; L892-M925 HydrophobicContact CD2-SD 4.18Å; L892-N937 HydrophobicContact CD1-CB 3.7Å; L892-L940 HydrophobicContact CB-CB 4.46Å; L892-L940 HydrophobicContact CD1-CB 3.93Å; L892-Q941 HydrophobicContact CD1-CG 3.91Å; L892-Q941 HydrophobicContact CD2-CG 4.02Å; L892-L944 HydrophobicContact CD2-CD2 3.97Å |
| 893 | N | 96.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 24% | 0.235 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 177 | -73.9 | -39.6 | 0 | 0 | 0 | 112.1 | E889 T890 G891 L895 H896 T897 | E889-N893 WeakPolarHBondContact O-CB 3.32Å; E889-N893 PolarHBondContact O-N 3.35Å; E889-N893 PolarHBondContact O-ND2 3.13Å; E889-N893 VanDerWaalsContact O-ND2 3.07Å; T890-N893 PolarHBondContact O-N 2.93Å; G891-N893 VanDerWaalsContact C-N 3.35Å; G891-N893 PolarHBondContact O-N 3.08Å; N893-L895 PolarHBondContact O-N 2.99Å; N893-H896 PolarHBondContact O-N 3.47Å; N893-T897 PolarHBondContact O-N 3.18Å; N893-T897 PolarHBondContact O-OG1 2.95Å |
| 894 | I | 97.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 174.9 | -66.1 | 162.8 | 0 | 0 | 0 | 109.8 | F847 L850 Q851 N854 V876 T890 G891 H896 T897 M898 | F847-I894 HydrophobicContact CB-CD1 4.11Å; F847-I894 HydrophobicContact CD1-CD1 4.18Å; F847-I894 WeakPolarHBondContact O-CD1 3.44Å; L850-I894 HydrophobicContact CB-CD1 4.19Å; Q851-I894 HydrophobicContact CB-CD1 4.13Å; Q851-I894 HydrophobicContact CB-CG1 3.67Å; Q851-I894 HydrophobicContact CG-CG1 4.01Å; N854-I894 HydrophobicContact CB-CG2 4.38Å; N854-I894 PolarHBondContact ND2-O 3.21Å; V876-I894 HydrophobicContact CG1-CB 4.15Å; V876-I894 HydrophobicContact CG1-CG2 4.03Å; V876-I894 HydrophobicContact CG2-CB 4.39Å; V876-I894 HydrophobicContact CG2-CG2 3.61Å; T890-I894 HydrophobicContact CG2-CD1 4.06Å; T890-I894 HydrophobicContact CG2-CG1 4.45Å; T890-I894 VanDerWaalsContact O-CG1 3.23Å; T890-I894 WeakPolarHBondContact O-CG1 3.29Å; T890-I894 PolarHBondContact O-N 3.4Å; G891-I894 PolarHBondContact O-N 3.01Å; I894-H896 PolarHBondContact O-N 3.23Å; I894-T897 PolarHBondContact O-N 3.36Å; I894-M898 HydrophobicContact CG2-CE 4.46Å; I894-M898 VanDerWaalsContact O-CB 3.26Å; I894-M898 WeakPolarHBondContact O-CB 3.4Å; I894-M898 PolarHBondContact O-N 3.4Å |
| 895 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | -178.4 | -177.9 | 56.6 | 0 | 0 | 0 | 111.5 | L873 V876 I880 G891 L892 N893 M898 L899 I921 M925 L944 | L873-L895 HydrophobicContact CD1-CD1 4.02Å; V876-L895 HydrophobicContact CG1-CB 3.9Å; I880-L895 HydrophobicContact CD1-CB 3.96Å; I880-L895 HydrophobicContact CD1-CD2 3.45Å; I880-L895 VanDerWaalsContact CD1-CD2 3.45Å; I880-L895 HydrophobicContact CD1-CG 4.36Å; G891-L895 PolarHBondContact O-N 3.28Å; L892-L895 PolarHBondContact O-N 3.2Å; N893-L895 PolarHBondContact O-N 2.99Å; L895-M898 WeakPolarHBondContact O-CB 3.49Å; L895-M898 PolarHBondContact O-N 2.83Å; L895-L899 HydrophobicContact CD1-CD2 4.49Å; L895-L899 HydrophobicContact CD1-CG 4.24Å; L895-L899 WeakPolarHBondContact O-CG 3.29Å; L895-L899 PolarHBondContact O-N 3.43Å; L895-I921 HydrophobicContact CD1-CD1 4.25Å; L895-I921 HydrophobicContact CD1-CG2 4.17Å; L895-I921 HydrophobicContact CD2-CG2 3.72Å; L895-I921 HydrophobicContact CG-CG2 4.42Å; L895-M925 HydrophobicContact CD2-SD 4.09Å; L895-L944 HydrophobicContact CB-CD2 4.27Å; L895-L944 HydrophobicContact CD2-CD2 3.68Å; L895-L944 HydrophobicContact CG-CD1 4.4Å; L895-L944 HydrophobicContact CG-CD2 3.99Å |
| 896 | H | 96.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.269 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.4 | -50.4 | 176.8 | -174.8 | -131.1 | 0 | 0 | 0 | 112 | L892 N893 I894 M898 L899 V900 L944 | L892-H896 WeakPolarHBondContact O-CB 3.34Å; L892-H896 PolarHBondContact O-N 3.34Å; N893-H896 PolarHBondContact O-N 3.47Å; I894-H896 PolarHBondContact O-N 3.23Å; H896-M898 VanDerWaalsContact C-N 3.29Å; H896-M898 PolarHBondContact O-N 2.88Å; H896-L899 PolarHBondContact O-N 3.04Å; H896-V900 WeakPolarHBondContact O-CG2 3.31Å; H896-V900 PolarHBondContact O-N 3.35Å; H896-L944 HydrophobicContact CB-CD1 3.99Å |
| 897 | T | 95.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 175.9 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | N893 I894 V900 N901 | N893-T897 PolarHBondContact O-N 3.18Å; N893-T897 PolarHBondContact O-OG1 2.95Å; I894-T897 PolarHBondContact O-N 3.36Å; T897-V900 PolarHBondContact O-N 2.91Å; T897-N901 WeakPolarHBondContact O-CB 3.25Å; T897-N901 VanDerWaalsContact O-CG 3.22Å; T897-N901 PolarHBondContact O-N 3.43Å |
| 898 | M | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 177.7 | -178.5 | 177.3 | -68.7 | 0 | 0 | 111.6 | N854 F858 F869 I872 L873 I894 L895 H896 N901 M902 | N854-M898 PolarHBondContact ND2-N 2.99Å; N854-M898 VanDerWaalsContact ND2-N 3.14Å; F858-M898 HydrophobicContact CE2-CG 4.1Å; F869-M898 HydrophobicContact CE1-SD 4.35Å; F869-M898 HydrophobicContact CZ-SD 3.94Å; I872-M898 HydrophobicContact CG2-CE 4.34Å; L873-M898 HydrophobicContact CD1-SD 4.05Å; I894-M898 HydrophobicContact CG2-CE 4.46Å; I894-M898 VanDerWaalsContact O-CB 3.26Å; I894-M898 WeakPolarHBondContact O-CB 3.4Å; I894-M898 PolarHBondContact O-N 3.4Å; L895-M898 WeakPolarHBondContact O-CB 3.49Å; L895-M898 PolarHBondContact O-N 2.83Å; H896-M898 VanDerWaalsContact C-N 3.29Å; H896-M898 PolarHBondContact O-N 2.88Å; M898-N901 PolarHBondContact O-N 3.05Å; M898-M902 WeakPolarHBondContact O-CB 3.29Å; M898-M902 PolarHBondContact O-N 3.48Å |
| 899 | L | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 177.4 | -64.3 | 179.3 | 0 | 0 | 0 | 111.9 | L895 H896 S903 F913 F914 I921 L944 Y947 M948 | L895-L899 HydrophobicContact CD1-CD2 4.49Å; L895-L899 HydrophobicContact CD1-CG 4.24Å; L895-L899 WeakPolarHBondContact O-CG 3.29Å; L895-L899 PolarHBondContact O-N 3.43Å; H896-L899 PolarHBondContact O-N 3.04Å; L899-S903 WeakPolarHBondContact O-CB 3.35Å; L899-S903 PolarHBondContact O-N 3.49Å; L899-S903 PolarHBondContact O-OG 3.38Å; L899-F913 HydrophobicContact CD2-CE1 3.85Å; L899-F913 HydrophobicContact CD2-CZ 4.04Å; L899-F914 HydrophobicContact CD2-CE1 4.09Å; L899-I921 HydrophobicContact CD2-CD1 4.23Å; L899-L944 HydrophobicContact CD1-CD1 3.61Å; L899-Y947 HydrophobicContact CB-CD1 4.11Å; L899-Y947 HydrophobicContact CB-CE1 3.72Å; L899-Y947 HydrophobicContact CD1-CD1 4.35Å; L899-M948 HydrophobicContact CD1-CG 3.68Å; L899-M948 HydrophobicContact CD1-SD 4.28Å |
| 900 | V | 94 | Very high | 92.5 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -50.9 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | H896 T897 M902 S903 S904 Y947 | H896-V900 WeakPolarHBondContact O-CG2 3.31Å; H896-V900 PolarHBondContact O-N 3.35Å; T897-V900 PolarHBondContact O-N 2.91Å; V900-M902 VanDerWaalsContact C-N 3.33Å; V900-M902 PolarHBondContact O-N 2.71Å; V900-S903 WeakPolarHBondContact O-CB 3.42Å; V900-S903 PolarHBondContact O-N 3.48Å; V900-S904 PolarHBondContact O-N 3.22Å; V900-Y947 WeakPolarHBondContact CA-OH 3.47Å; V900-Y947 HydrophobicContact CG2-CE1 4.13Å; V900-Y947 HydrophobicContact CG2-CE2 4.03Å |
| 901 | N | 93 | Very high | 92.3 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 179.6 | -71.7 | -11.7 | 0 | 0 | 0 | 112.1 | N854 F858 T897 M898 S904 A905 | N854-N901 PolarHBondContact O-ND2 3.39Å; F858-N901 HydrophobicContact CB-CB 4.48Å; F858-N901 HydrophobicContact CD1-CB 3.62Å; F858-N901 HydrophobicContact CD2-CB 3.82Å; F858-N901 HydrophobicContact CE1-CB 3.59Å; F858-N901 HydrophobicContact CE2-CB 3.82Å; F858-N901 HydrophobicContact CG-CB 3.71Å; F858-N901 HydrophobicContact CZ-CB 3.69Å; T897-N901 WeakPolarHBondContact O-CB 3.25Å; T897-N901 VanDerWaalsContact O-CG 3.22Å; T897-N901 PolarHBondContact O-N 3.43Å; M898-N901 PolarHBondContact O-N 3.05Å; N901-S904 PolarHBondContact O-N 2.79Å; N901-A905 PolarHBondContact O-N 3.13Å; N901-A905 VanDerWaalsContact O-N 3.12Å |
| 902 | M | 93.1 | Very high | 92 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 176.4 | -171.6 | 61.5 | 70.1 | 0 | 0 | 112.5 | F858 L862 F869 M898 V900 S904 A905 R910 F913 F914 | F858-M902 HydrophobicContact CE1-CE 4.43Å; F858-M902 HydrophobicContact CZ-CB 4.13Å; F858-M902 HydrophobicContact CZ-CE 3.9Å; L862-M902 HydrophobicContact CD2-CE 3.4Å; L862-M902 HydrophobicContact CD2-SD 3.95Å; F869-M902 HydrophobicContact CZ-CE 4.33Å; M898-M902 WeakPolarHBondContact O-CB 3.29Å; M898-M902 PolarHBondContact O-N 3.48Å; V900-M902 VanDerWaalsContact C-N 3.33Å; V900-M902 PolarHBondContact O-N 2.71Å; M902-S904 PolarHBondContact O-N 2.83Å; M902-A905 WeakPolarHBondContact O-CB 3.5Å; M902-A905 PolarHBondContact O-N 3.37Å; M902-A905 VanDerWaalsContact O-N 3.13Å; M902-A905 HydrophobicContact SD-CB 4.15Å; M902-R910 WeakPolarHBondContact O-CG 3.16Å; M902-F913 HydrophobicContact CB-CD1 4.37Å; M902-F913 HydrophobicContact CB-CE1 4.49Å; M902-F913 HydrophobicContact CE-CB 3.75Å; M902-F913 HydrophobicContact CE-CD1 4.35Å; M902-F913 HydrophobicContact CE-CD2 3.53Å; M902-F913 HydrophobicContact CE-CE2 4.19Å; M902-F913 HydrophobicContact CE-CG 3.62Å; M902-F913 HydrophobicContact CG-CB 3.92Å; M902-F913 HydrophobicContact CG-CD1 3.5Å; M902-F913 VanDerWaalsContact CG-CD1 3.5Å; M902-F913 HydrophobicContact CG-CD2 4.38Å; M902-F913 HydrophobicContact CG-CE1 4.08Å; M902-F913 HydrophobicContact CG-CG 3.68Å; M902-F913 HydrophobicContact SD-CB 3.74Å; M902-F913 HydrophobicContact SD-CD1 4.42Å; M902-F913 HydrophobicContact SD-CG 3.99Å; M902-F914 HydrophobicContact CB-CZ 4.44Å; M902-F914 HydrophobicContact CG-CE2 4.3Å; M902-F914 HydrophobicContact CG-CZ 4.25Å |
| 903 | S | 90.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 176.2 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | L899 V900 R910 Y947 | L899-S903 WeakPolarHBondContact O-CB 3.35Å; L899-S903 PolarHBondContact O-N 3.49Å; L899-S903 PolarHBondContact O-OG 3.38Å; V900-S903 WeakPolarHBondContact O-CB 3.42Å; V900-S903 PolarHBondContact O-N 3.48Å; S903-R910 WeakPolarHBondContact O-CD 3.45Å; S903-R910 PolarHBondContact O-NH1 3.19Å; S903-Y947 WeakPolarHBondContact CB-OH 3.24Å; S903-Y947 PolarHBondContact OG-OH 3.35Å; S903-Y947 VanDerWaalsContact OG-OH 3.09Å |
| 904 | S | 88.1 | Confident | 91.6 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.8 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 114.6 | V900 N901 M902 | V900-S904 PolarHBondContact O-N 3.22Å; N901-S904 PolarHBondContact O-N 2.79Å; M902-S904 PolarHBondContact O-N 2.83Å |
| 905 | A | 86.5 | Confident | 91.3 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -72.2 | 169.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L862 N901 M902 S907 | L862-A905 HydrophobicContact CD1-CB 4.07Å; N901-A905 PolarHBondContact O-N 3.13Å; N901-A905 VanDerWaalsContact O-N 3.12Å; M902-A905 WeakPolarHBondContact O-CB 3.5Å; M902-A905 PolarHBondContact O-N 3.37Å; M902-A905 VanDerWaalsContact O-N 3.13Å; M902-A905 HydrophobicContact SD-CB 4.15Å; A905-S907 PolarHBondContact O-N 3.48Å |
| 906 | N | 85.4 | Confident | 91 | Very high | 130 Ų | 130 | 52.7 Ų | 52.7 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | trans | -51 | 136.7 | 174.5 | -71.5 | 2.1 | 0 | 0 | 0 | 111.3 | E908 K909 R910 | N906-E908 VanDerWaalsContact C-N 3.29Å; N906-E908 PolarHBondContact O-N 3.03Å; N906-E908 VanDerWaalsContact O-N 3.11Å; N906-K909 PolarHBondContact O-N 2.93Å; N906-K909 VanDerWaalsContact O-N 3.15Å; N906-R910 PolarHBondContact O-N 3.08Å; N906-R910 VanDerWaalsContact O-N 3.09Å | ||
| 907 | S | 82.9 | Confident | 90.9 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52 | -43.4 | -169.4 | -163.8 | 0 | 0 | 0 | 0 | 113.4 | A905 R910 Q911 | A905-S907 PolarHBondContact O-N 3.48Å; S907-R910 PolarHBondContact O-N 2.84Å; S907-R910 PolarHBondContact OG-NH2 3.34Å; S907-Q911 VanDerWaalsContact O-CG 3.29Å; S907-Q911 WeakPolarHBondContact O-CG 3.44Å; S907-Q911 PolarHBondContact O-N 3.11Å |
| 908 | E | 88.6 | Confident | 90.9 | Very high | 157 Ų | 157 | 48.4 Ų | 48.4 | 73% | 0.734 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.6 | -52.4 | -179.6 | -173.3 | -179.5 | -175.3 | 0 | 0 | 112.9 | N906 R910 Q911 V912 | N906-E908 VanDerWaalsContact C-N 3.29Å; N906-E908 PolarHBondContact O-N 3.03Å; N906-E908 VanDerWaalsContact O-N 3.11Å; E908-R910 VanDerWaalsContact C-N 3.31Å; E908-R910 PolarHBondContact O-N 3.41Å; E908-Q911 PolarHBondContact O-N 3.14Å; E908-V912 WeakPolarHBondContact O-CG2 3.17Å; E908-V912 PolarHBondContact O-N 3.26Å |
| 909 | K | 86.9 | Confident | 90.8 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | -179.8 | -68.3 | -168.7 | 178.5 | -170.9 | 0 | 111.7 | L862 N906 V912 F913 | L862-K909 HydrophobicContact CB-CD 4.25Å; L862-K909 HydrophobicContact CD2-CD 4.37Å; L862-K909 PolarHBondContact O-NZ 2.9Å; N906-K909 PolarHBondContact O-N 2.93Å; N906-K909 VanDerWaalsContact O-N 3.15Å; K909-V912 PolarHBondContact O-N 2.87Å; K909-F913 WeakPolarHBondContact O-CB 3.47Å; K909-F913 PolarHBondContact O-N 3.29Å |
| 910 | R | 90.8 | Very high | 90.7 | Very high | 49 Ų | 49 | 53 Ų | 53 | 19% | 0.185 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -51.2 | 175.2 | 177.3 | -179.8 | 63.4 | -172.4 | -2.4 | 111.5 | M902 S903 N906 S907 E908 F913 F914 | M902-R910 WeakPolarHBondContact O-CG 3.16Å; S903-R910 WeakPolarHBondContact O-CD 3.45Å; S903-R910 PolarHBondContact O-NH1 3.19Å; N906-R910 PolarHBondContact O-N 3.08Å; N906-R910 VanDerWaalsContact O-N 3.09Å; S907-R910 PolarHBondContact O-N 2.84Å; S907-R910 PolarHBondContact OG-NH2 3.34Å; E908-R910 VanDerWaalsContact C-N 3.31Å; E908-R910 PolarHBondContact O-N 3.41Å; R910-F913 PolarHBondContact O-N 3.03Å; R910-F914 HydrophobicContact CG-CD2 3.68Å; R910-F914 HydrophobicContact CG-CE2 3.48Å; R910-F914 VanDerWaalsContact CG-CE2 3.48Å; R910-F914 WeakPolarHBondContact O-CD2 3.4Å; R910-F914 PolarHBondContact O-N 3.28Å |
| 911 | Q | 91.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | -179.6 | -65.8 | -42.1 | -40.2 | 0 | 0 | 112.1 | S907 E908 F914 K915 I956 T958 V959 | S907-Q911 VanDerWaalsContact O-CG 3.29Å; S907-Q911 WeakPolarHBondContact O-CG 3.44Å; S907-Q911 PolarHBondContact O-N 3.11Å; E908-Q911 PolarHBondContact O-N 3.14Å; Q911-F914 PolarHBondContact O-N 3.34Å; Q911-K915 WeakPolarHBondContact O-CB 3.41Å; Q911-K915 PolarHBondContact O-N 3.15Å; Q911-I956 PolarHBondContact NE2-O 3.12Å; Q911-T958 PolarHBondContact NE2-OG1 3.41Å; Q911-T958 PolarHBondContact OE1-OG1 2.87Å; Q911-V959 HydrophobicContact CB-CB 4.4Å; Q911-V959 HydrophobicContact CB-CG1 3.67Å; Q911-V959 HydrophobicContact CB-CG2 3.87Å; Q911-V959 HydrophobicContact CG-CG1 3.87Å; Q911-V959 HydrophobicContact CG-CG2 4.45Å |
| 912 | V | 90.2 | Very high | 91 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E908 K909 T916 | E908-V912 WeakPolarHBondContact O-CG2 3.17Å; E908-V912 PolarHBondContact O-N 3.26Å; K909-V912 PolarHBondContact O-N 2.87Å; V912-T916 WeakPolarHBondContact O-CB 3.5Å; V912-T916 PolarHBondContact O-N 2.94Å; V912-T916 PolarHBondContact O-OG1 2.97Å |
| 913 | F | 91.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -52 | 178 | 170.3 | -87.6 | 0 | 0 | 0 | 111.7 | F869 L899 M902 K909 R910 K915 T916 F917 I921 | F869-F913 AromaticContact CE1-CD2 3.79Å; F869-F913 HydrophobicContact CE1-CD2 3.79Å; F869-F913 AromaticContact CE1-CE2 3.52Å; F869-F913 HydrophobicContact CE1-CE2 3.52Å; F869-F913 AromaticContact CZ-CD2 4Å; F869-F913 HydrophobicContact CZ-CD2 4Å; F869-F913 AromaticContact CZ-CE2 3.77Å; F869-F913 HydrophobicContact CZ-CE2 3.77Å; L899-F913 HydrophobicContact CD2-CE1 3.85Å; L899-F913 HydrophobicContact CD2-CZ 4.04Å; M902-F913 HydrophobicContact CB-CD1 4.37Å; M902-F913 HydrophobicContact CB-CE1 4.49Å; M902-F913 HydrophobicContact CE-CB 3.75Å; M902-F913 HydrophobicContact CE-CD1 4.35Å; M902-F913 HydrophobicContact CE-CD2 3.53Å; M902-F913 HydrophobicContact CE-CE2 4.19Å; M902-F913 HydrophobicContact CE-CG 3.62Å; M902-F913 HydrophobicContact CG-CB 3.92Å; M902-F913 HydrophobicContact CG-CD1 3.5Å; M902-F913 VanDerWaalsContact CG-CD1 3.5Å; M902-F913 HydrophobicContact CG-CD2 4.38Å; M902-F913 HydrophobicContact CG-CE1 4.08Å; M902-F913 HydrophobicContact CG-CG 3.68Å; M902-F913 HydrophobicContact SD-CB 3.74Å; M902-F913 HydrophobicContact SD-CD1 4.42Å; M902-F913 HydrophobicContact SD-CG 3.99Å; K909-F913 WeakPolarHBondContact O-CB 3.47Å; K909-F913 PolarHBondContact O-N 3.29Å; R910-F913 PolarHBondContact O-N 3.03Å; F913-K915 PolarHBondContact O-N 3.14Å; F913-T916 PolarHBondContact O-N 3.44Å; F913-T916 VanDerWaalsContact O-N 3.1Å; F913-F917 AromaticContact CD2-CD2 3.59Å; F913-F917 HydrophobicContact CD2-CD2 3.59Å; F913-F917 HydrophobicContact CD2-CE2 4.22Å; F913-F917 HydrophobicContact CE2-CB 4.42Å; F913-F917 AromaticContact CE2-CD2 3.86Å; F913-F917 HydrophobicContact CE2-CD2 3.86Å; F913-F917 HydrophobicContact CE2-CG 4.5Å; F913-F917 HydrophobicContact CG-CD2 4.24Å; F913-F917 HydrophobicContact CZ-CB 4.48Å; F913-F917 PolarHBondContact O-N 3.14Å; F913-I921 HydrophobicContact CE1-CD1 4.45Å; F913-I921 HydrophobicContact CZ-CD1 3.94Å |
| 914 | F | 92.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | -176.2 | -71.7 | -54.9 | 0 | 0 | 0 | 111.9 | L899 M902 R910 Q911 T916 F918 I951 I956 I957 L961 | L899-F914 HydrophobicContact CD2-CE1 4.09Å; M902-F914 HydrophobicContact CB-CZ 4.44Å; M902-F914 HydrophobicContact CG-CE2 4.3Å; M902-F914 HydrophobicContact CG-CZ 4.25Å; R910-F914 HydrophobicContact CG-CD2 3.68Å; R910-F914 HydrophobicContact CG-CE2 3.48Å; R910-F914 VanDerWaalsContact CG-CE2 3.48Å; R910-F914 WeakPolarHBondContact O-CD2 3.4Å; R910-F914 PolarHBondContact O-N 3.28Å; Q911-F914 PolarHBondContact O-N 3.34Å; F914-T916 VanDerWaalsContact C-N 3.25Å; F914-T916 PolarHBondContact O-N 3.43Å; F914-F918 HydrophobicContact CB-CB 4.45Å; F914-F918 HydrophobicContact CD1-CB 4.41Å; F914-F918 HydrophobicContact CD1-CD2 4.11Å; F914-F918 WeakPolarHBondContact O-CB 3.36Å; F914-F918 PolarHBondContact O-N 3.04Å; F914-F918 VanDerWaalsContact O-N 3.14Å; F914-I951 HydrophobicContact CD1-CD1 4.12Å; F914-I951 HydrophobicContact CE1-CD1 3.43Å; F914-I951 VanDerWaalsContact CE1-CD1 3.43Å; F914-I951 HydrophobicContact CZ-CD1 3.74Å; F914-I956 HydrophobicContact CE2-CG2 3.85Å; F914-I956 HydrophobicContact CZ-CG2 4.48Å; F914-I957 HydrophobicContact CB-CD1 3.88Å; F914-I957 HydrophobicContact CB-CG1 3.81Å; F914-I957 HydrophobicContact CB-CG2 4.08Å; F914-I957 HydrophobicContact CD1-CD1 4.11Å; F914-I957 HydrophobicContact CD1-CG1 4.34Å; F914-I957 HydrophobicContact CD2-CD1 4.43Å; F914-I957 HydrophobicContact CD2-CG1 3.77Å; F914-I957 HydrophobicContact CE2-CG1 4.41Å; F914-I957 HydrophobicContact CG-CD1 3.92Å; F914-I957 HydrophobicContact CG-CG1 3.74Å; F914-L961 WeakPolarHBondContact O-CD2 3.46Å |
| 915 | K | 91.5 | Very high | 91.6 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 171.7 | -173.1 | 174.6 | -178.9 | -177.3 | 0 | 112.3 | Q911 F913 V959 D963 | Q911-K915 WeakPolarHBondContact O-CB 3.41Å; Q911-K915 PolarHBondContact O-N 3.15Å; F913-K915 PolarHBondContact O-N 3.14Å; K915-V959 HydrophobicContact CB-CG2 3.97Å; K915-D963 WeakPolarHBondContact CE-OD1 3.35Å; K915-D963 IonicContact NZ-OD1 2.63Å; K915-D963 PolarHBondContact NZ-OD1 3.33Å |
| 916 | T | 91.4 | Very high | 92 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -82.4 | -42.1 | -173.7 | -51 | 0 | 0 | 0 | 0 | 113 | V912 F913 F914 | V912-T916 WeakPolarHBondContact O-CB 3.5Å; V912-T916 PolarHBondContact O-N 2.94Å; V912-T916 PolarHBondContact O-OG1 2.97Å; F913-T916 PolarHBondContact O-N 3.44Å; F913-T916 VanDerWaalsContact O-N 3.1Å; F914-T916 VanDerWaalsContact C-N 3.25Å; F914-T916 PolarHBondContact O-N 3.43Å |
| 917 | F | 93.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -119.3 | -12.8 | -164.7 | -59.9 | -64.2 | 0 | 0 | 0 | 115.1 | F869 K870 L873 F913 M919 D920 I921 | F869-F917 AromaticContact CD1-CE2 3.99Å; F869-F917 HydrophobicContact CD1-CE2 3.99Å; F869-F917 HydrophobicContact CD1-CZ 4.36Å; F869-F917 HydrophobicContact CE1-CE2 4.38Å; K870-F917 HydrophobicContact CB-CE1 4.01Å; K870-F917 HydrophobicContact CB-CZ 4.09Å; K870-F917 HydrophobicContact CD-CE1 4.33Å; K870-F917 HydrophobicContact CG-CE1 4.16Å; L873-F917 HydrophobicContact CD2-CB 3.73Å; L873-F917 HydrophobicContact CD2-CD1 3.57Å; L873-F917 HydrophobicContact CD2-CD2 4.3Å; L873-F917 HydrophobicContact CD2-CE1 4.22Å; L873-F917 HydrophobicContact CD2-CG 3.61Å; F913-F917 AromaticContact CD2-CD2 3.59Å; F913-F917 HydrophobicContact CD2-CD2 3.59Å; F913-F917 HydrophobicContact CD2-CE2 4.22Å; F913-F917 HydrophobicContact CE2-CB 4.42Å; F913-F917 AromaticContact CE2-CD2 3.86Å; F913-F917 HydrophobicContact CE2-CD2 3.86Å; F913-F917 HydrophobicContact CE2-CG 4.5Å; F913-F917 HydrophobicContact CG-CD2 4.24Å; F913-F917 HydrophobicContact CZ-CB 4.48Å; F913-F917 PolarHBondContact O-N 3.14Å; F917-M919 PolarHBondContact O-N 2.97Å; F917-D920 PolarHBondContact O-N 3.49Å; F917-I921 HydrophobicContact CB-CD1 4.02Å; F917-I921 HydrophobicContact CB-CG1 4.46Å; F917-I921 VanDerWaalsContact O-CG1 3.23Å; F917-I921 WeakPolarHBondContact O-CG1 3.34Å; F917-I921 PolarHBondContact O-N 3.13Å |
| 918 | F | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | -171.2 | 179.2 | -92.2 | 0 | 0 | 0 | 112.4 | F914 I921 L922 M948 I951 V952 I957 L961 V980 | F914-F918 HydrophobicContact CB-CB 4.45Å; F914-F918 HydrophobicContact CD1-CB 4.41Å; F914-F918 HydrophobicContact CD1-CD2 4.11Å; F914-F918 WeakPolarHBondContact O-CB 3.36Å; F914-F918 PolarHBondContact O-N 3.04Å; F914-F918 VanDerWaalsContact O-N 3.14Å; F918-I921 PolarHBondContact O-N 2.93Å; F918-L922 HydrophobicContact CE1-CD2 4.04Å; F918-L922 WeakPolarHBondContact O-CB 3.42Å; F918-L922 PolarHBondContact O-N 3.32Å; F918-M948 HydrophobicContact CD2-CE 4.17Å; F918-M948 HydrophobicContact CE2-CB 4.14Å; F918-M948 HydrophobicContact CE2-CE 3.89Å; F918-M948 HydrophobicContact CZ-CB 4.38Å; F918-M948 HydrophobicContact CZ-CE 4.24Å; F918-I951 HydrophobicContact CD2-CD1 4.11Å; F918-I951 HydrophobicContact CE2-CD1 3.81Å; F918-I951 HydrophobicContact CE2-CG1 4.02Å; F918-V952 HydrophobicContact CE1-CG2 3.67Å; F918-V952 HydrophobicContact CE2-CG2 3.79Å; F918-V952 HydrophobicContact CZ-CG2 3.17Å; F918-I957 HydrophobicContact CD2-CD1 3.76Å; F918-I957 HydrophobicContact CE2-CD1 4.03Å; F918-I957 HydrophobicContact CG-CD1 4.1Å; F918-L961 HydrophobicContact CB-CD2 4.32Å; F918-L961 HydrophobicContact CD1-CD1 3.89Å; F918-L961 HydrophobicContact CE1-CD1 4.3Å; F918-V980 HydrophobicContact CE1-CG2 3.83Å |
| 919 | M | 94.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | -179 | -70.1 | -54.9 | -59.3 | 0 | 0 | 112.4 | F917 L922 Q923 Y979 V980 S983 | F917-M919 PolarHBondContact O-N 2.97Å; M919-L922 HydrophobicContact CE-CD2 4.32Å; M919-L922 PolarHBondContact O-N 2.91Å; M919-L922 HydrophobicContact SD-CD2 4.24Å; M919-Q923 VanDerWaalsContact O-CG 3.31Å; M919-Q923 WeakPolarHBondContact O-CG 3.49Å; M919-Q923 PolarHBondContact O-N 2.87Å; M919-Y979 HydrophobicContact CG-CE1 4.11Å; M919-Y979 HydrophobicContact SD-CE1 4.31Å; M919-V980 HydrophobicContact SD-CG2 4.05Å; M919-S983 VanDerWaalsContact CE-CB 3.44Å |
| 920 | D | 93.8 | Very high | 93.4 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.8 | -69.9 | -7.4 | 0 | 0 | 0 | 111.5 | F917 L922 Q923 H924 | F917-D920 PolarHBondContact O-N 3.49Å; D920-L922 VanDerWaalsContact C-N 3.29Å; D920-L922 PolarHBondContact O-N 3.3Å; D920-Q923 PolarHBondContact O-N 3.07Å; D920-H924 PolarHBondContact O-CD2 2.9Å; D920-H924 VanDerWaalsContact O-CD2 3.24Å; D920-H924 PolarHBondContact O-N 3.4Å |
| 921 | I | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 175.3 | -66.1 | 165.5 | 0 | 0 | 0 | 109.6 | L873 L895 L899 F913 F917 F918 Q923 H924 M925 M948 | L873-I921 HydrophobicContact CD1-CD1 4.01Å; L873-I921 HydrophobicContact CD1-CG1 4.16Å; L873-I921 HydrophobicContact CD2-CD1 4.02Å; L873-I921 HydrophobicContact CD2-CG1 4.05Å; L895-I921 HydrophobicContact CD1-CD1 4.25Å; L895-I921 HydrophobicContact CD1-CG2 4.17Å; L895-I921 HydrophobicContact CD2-CG2 3.72Å; L895-I921 HydrophobicContact CG-CG2 4.42Å; L899-I921 HydrophobicContact CD2-CD1 4.23Å; F913-I921 HydrophobicContact CE1-CD1 4.45Å; F913-I921 HydrophobicContact CZ-CD1 3.94Å; F917-I921 HydrophobicContact CB-CD1 4.02Å; F917-I921 HydrophobicContact CB-CG1 4.46Å; F917-I921 VanDerWaalsContact O-CG1 3.23Å; F917-I921 WeakPolarHBondContact O-CG1 3.34Å; F917-I921 PolarHBondContact O-N 3.13Å; F918-I921 PolarHBondContact O-N 2.93Å; I921-Q923 PolarHBondContact O-N 3.39Å; I921-H924 PolarHBondContact O-N 2.9Å; I921-M925 HydrophobicContact CG2-CG 4.3Å; I921-M925 WeakPolarHBondContact O-CG 3.45Å; I921-M925 PolarHBondContact O-N 3.43Å; I921-M948 HydrophobicContact CB-CE 4.04Å; I921-M948 HydrophobicContact CG2-CE 3.65Å; I921-M948 HydrophobicContact CG2-SD 3.9Å |
| 922 | L | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | -178.6 | -171 | 64.3 | 0 | 0 | 0 | 111.2 | F918 M919 D920 H924 M925 F926 L945 M948 F949 V980 L984 | F918-L922 HydrophobicContact CE1-CD2 4.04Å; F918-L922 WeakPolarHBondContact O-CB 3.42Å; F918-L922 PolarHBondContact O-N 3.32Å; M919-L922 HydrophobicContact CE-CD2 4.32Å; M919-L922 PolarHBondContact O-N 2.91Å; M919-L922 HydrophobicContact SD-CD2 4.24Å; D920-L922 VanDerWaalsContact C-N 3.29Å; D920-L922 PolarHBondContact O-N 3.3Å; L922-H924 PolarHBondContact O-N 2.94Å; L922-M925 PolarHBondContact O-N 2.65Å; L922-F926 HydrophobicContact CD1-CD2 4.15Å; L922-F926 HydrophobicContact CD1-CE2 3.76Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.98Å; L922-F926 VanDerWaalsContact O-CD2 3.29Å; L922-F926 WeakPolarHBondContact O-CD2 3.33Å; L922-F926 PolarHBondContact O-N 3.01Å; L922-L945 HydrophobicContact CD1-CD2 3.79Å; L922-M948 HydrophobicContact CB-CE 3.78Å; L922-M948 HydrophobicContact CD1-CE 3.91Å; L922-M948 HydrophobicContact CD1-SD 4.34Å; L922-M948 HydrophobicContact CG-CE 4.44Å; L922-F949 HydrophobicContact CD1-CE2 4.26Å; L922-F949 HydrophobicContact CD1-CZ 4.31Å; L922-V980 HydrophobicContact CD2-CG1 3.93Å; L922-L984 HydrophobicContact CD2-CD1 4.07Å; L922-L984 HydrophobicContact CD2-CD2 3.85Å; L922-L984 HydrophobicContact CD2-CG 4.06Å; L922-L984 HydrophobicContact CG-CD2 4.09Å |
| 923 | Q | 95 | Very high | 92.6 | Very high | 88 Ų | 88 | 40 Ų | 40 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59 | -44.4 | 175.7 | -74.6 | 177.9 | 11.9 | 0 | 0 | 112.2 | M919 D920 I921 F926 A927 L987 | M919-Q923 VanDerWaalsContact O-CG 3.31Å; M919-Q923 WeakPolarHBondContact O-CG 3.49Å; M919-Q923 PolarHBondContact O-N 2.87Å; D920-Q923 PolarHBondContact O-N 3.07Å; I921-Q923 PolarHBondContact O-N 3.39Å; Q923-F926 PolarHBondContact O-N 3.48Å; Q923-A927 PolarHBondContact O-N 3.02Å; Q923-L987 HydrophobicContact CB-CD2 4.46Å; Q923-L987 HydrophobicContact CG-CD1 4.39Å; Q923-L987 HydrophobicContact CG-CD2 3.84Å |
| 924 | H | 95.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 28% | 0.282 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.8 | -39 | 176.7 | -75.2 | -43.1 | 0 | 0 | 0 | 113.1 | I877 K881 D920 I921 L922 F926 A927 V928 | I877-H924 HydrophobicContact CG2-CB 3.87Å; K881-H924 PolarHBondContact NZ-CE1 2.92Å; K881-H924 VanDerWaalsContact NZ-CE1 3.34Å; K881-H924 PolarHBondContact NZ-ND1 3.49Å; D920-H924 PolarHBondContact O-CD2 2.9Å; D920-H924 VanDerWaalsContact O-CD2 3.24Å; D920-H924 PolarHBondContact O-N 3.4Å; I921-H924 PolarHBondContact O-N 2.9Å; L922-H924 PolarHBondContact O-N 2.94Å; H924-F926 VanDerWaalsContact C-N 3.31Å; H924-F926 PolarHBondContact O-N 3.44Å; H924-A927 PolarHBondContact O-N 3.46Å; H924-V928 VanDerWaalsContact O-CG2 3.29Å; H924-V928 WeakPolarHBondContact O-CG2 3.31Å; H924-V928 PolarHBondContact O-N 3.34Å |
| 925 | M | 95.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 174.2 | -72.7 | -54.3 | -54.1 | 0 | 0 | 111.8 | I880 L892 L895 I921 L922 V928 I929 Q941 L944 L945 M948 | I880-M925 HydrophobicContact CD1-SD 4.28Å; I880-M925 HydrophobicContact CG2-SD 4.28Å; L892-M925 HydrophobicContact CD2-CE 3.76Å; L892-M925 HydrophobicContact CD2-SD 4.18Å; L895-M925 HydrophobicContact CD2-SD 4.09Å; I921-M925 HydrophobicContact CG2-CG 4.3Å; I921-M925 WeakPolarHBondContact O-CG 3.45Å; I921-M925 PolarHBondContact O-N 3.43Å; L922-M925 PolarHBondContact O-N 2.65Å; M925-V928 PolarHBondContact O-N 3.47Å; M925-I929 WeakPolarHBondContact O-CB 3.34Å; M925-I929 PolarHBondContact O-N 2.93Å; M925-Q941 HydrophobicContact CE-CB 4.25Å; M925-Q941 HydrophobicContact CE-CG 4.3Å; M925-L944 HydrophobicContact CE-CB 4.48Å; M925-L944 HydrophobicContact CE-CD2 3.65Å; M925-L944 HydrophobicContact CE-CG 4.25Å; M925-L944 HydrophobicContact CG-CD2 4.38Å; M925-L944 HydrophobicContact SD-CD2 3.58Å; M925-L944 VanDerWaalsContact SD-CD2 3.58Å; M925-L944 HydrophobicContact SD-CG 4.5Å; M925-L945 HydrophobicContact CB-CD2 3.68Å; M925-L945 HydrophobicContact CB-CG 4.34Å; M925-L945 HydrophobicContact CG-CD2 4.4Å; M925-M948 HydrophobicContact CG-SD 4.22Å |
| 926 | F | 94.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | 173.9 | -87.3 | -71.7 | 0 | 0 | 0 | 113.3 | L922 Q923 H924 V928 I929 T930 L945 F949 L984 L988 F1003 L1007 | L922-F926 HydrophobicContact CD1-CD2 4.15Å; L922-F926 HydrophobicContact CD1-CE2 3.76Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.98Å; L922-F926 VanDerWaalsContact O-CD2 3.29Å; L922-F926 WeakPolarHBondContact O-CD2 3.33Å; L922-F926 PolarHBondContact O-N 3.01Å; Q923-F926 PolarHBondContact O-N 3.48Å; H924-F926 VanDerWaalsContact C-N 3.31Å; H924-F926 PolarHBondContact O-N 3.44Å; F926-V928 VanDerWaalsContact C-N 3.29Å; F926-V928 PolarHBondContact O-N 2.93Å; F926-I929 HydrophobicContact CD1-CG2 4.07Å; F926-T930 WeakPolarHBondContact O-CB 3.41Å; F926-T930 WeakPolarHBondContact O-CG2 3.4Å; F926-T930 PolarHBondContact O-N 3.45Å; F926-T930 VanDerWaalsContact O-N 3.12Å; F926-T930 PolarHBondContact O-OG1 2.86Å; F926-L945 HydrophobicContact CE2-CD2 4.37Å; F926-F949 HydrophobicContact CE2-CZ 4.28Å; F926-F949 HydrophobicContact CZ-CE2 4.42Å; F926-F949 HydrophobicContact CZ-CZ 4.25Å; F926-L984 HydrophobicContact CD2-CD2 3.63Å; F926-L984 HydrophobicContact CE2-CD1 4.01Å; F926-L984 HydrophobicContact CE2-CD2 3.41Å; F926-L984 VanDerWaalsContact CE2-CD2 3.41Å; F926-L984 HydrophobicContact CE2-CG 4.37Å; F926-L984 HydrophobicContact CZ-CD1 4.35Å; F926-L984 HydrophobicContact CZ-CD2 4.21Å; F926-L988 HydrophobicContact CD1-CD2 4.36Å; F926-F1003 AromaticContact CE1-CE1 3.68Å; F926-F1003 HydrophobicContact CE1-CE1 3.68Å; F926-F1003 AromaticContact CE1-CZ 3.86Å; F926-F1003 HydrophobicContact CE1-CZ 3.86Å; F926-F1003 HydrophobicContact CZ-CE1 4.28Å; F926-L1007 HydrophobicContact CE1-CD1 4.32Å; F926-L1007 HydrophobicContact CZ-CD1 3.67Å |
| 927 | A | 93.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 38 Ų | 38 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q923 H924 D931 | Q923-A927 PolarHBondContact O-N 3.02Å; H924-A927 PolarHBondContact O-N 3.46Å; A927-D931 PolarHBondContact O-N 3.45Å |
| 928 | V | 93.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.4 | -47.4 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | I880 K881 H924 M925 F926 T930 D931 Q934 | I880-V928 HydrophobicContact CG2-CB 4.33Å; I880-V928 HydrophobicContact CG2-CG1 3.93Å; I880-V928 HydrophobicContact CG2-CG2 3.84Å; K881-V928 HydrophobicContact CG-CG2 3.59Å; H924-V928 VanDerWaalsContact O-CG2 3.29Å; H924-V928 WeakPolarHBondContact O-CG2 3.31Å; H924-V928 PolarHBondContact O-N 3.34Å; M925-V928 PolarHBondContact O-N 3.47Å; F926-V928 VanDerWaalsContact C-N 3.29Å; F926-V928 PolarHBondContact O-N 2.93Å; V928-T930 VanDerWaalsContact C-N 3.25Å; V928-T930 PolarHBondContact O-N 3.24Å; V928-D931 WeakPolarHBondContact O-CB 3.29Å; V928-D931 PolarHBondContact O-N 3.28Å; V928-D931 VanDerWaalsContact O-N 3.14Å; V928-Q934 HydrophobicContact CG1-CB 3.95Å; V928-Q934 HydrophobicContact CG1-CG 4.05Å; V928-Q934 WeakPolarHBondContact O-CB 3.3Å |
| 929 | I | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.5 | -28 | -174.7 | -154.3 | 163 | 0 | 0 | 0 | 112.4 | M925 F926 L938 Q941 L945 V1021 L1025 | M925-I929 WeakPolarHBondContact O-CB 3.34Å; M925-I929 PolarHBondContact O-N 2.93Å; F926-I929 HydrophobicContact CD1-CG2 4.07Å; I929-L938 HydrophobicContact CD1-CD1 4.13Å; I929-L938 HydrophobicContact CG1-CD1 3.86Å; I929-Q941 HydrophobicContact CD1-CB 3.96Å; I929-Q941 HydrophobicContact CG1-CB 4.24Å; I929-L945 HydrophobicContact CD1-CD1 3.38Å; I929-L945 HydrophobicContact CG2-CD1 4.39Å; I929-V1021 HydrophobicContact CD1-CB 4.42Å; I929-V1021 HydrophobicContact CD1-CG1 3.5Å; I929-V1021 HydrophobicContact CD1-CG2 4.15Å; I929-V1021 HydrophobicContact CG1-CG1 3.73Å; I929-L1025 WeakPolarHBondContact O-CD2 3.35Å |
| 930 | T | 92.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.6 | 176.7 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | F926 V928 F992 F1024 L1025 I1028 | F926-T930 WeakPolarHBondContact O-CB 3.41Å; F926-T930 WeakPolarHBondContact O-CG2 3.4Å; F926-T930 PolarHBondContact O-N 3.45Å; F926-T930 VanDerWaalsContact O-N 3.12Å; F926-T930 PolarHBondContact O-OG1 2.86Å; V928-T930 VanDerWaalsContact C-N 3.25Å; V928-T930 PolarHBondContact O-N 3.24Å; T930-F992 HydrophobicContact CG2-CE2 3.98Å; T930-F992 HydrophobicContact CG2-CZ 3.95Å; T930-F1024 HydrophobicContact CG2-CE1 4.31Å; T930-L1025 HydrophobicContact CG2-CD2 4.2Å; T930-I1028 HydrophobicContact CG2-CD1 4.3Å |
| 931 | D | 89.3 | Confident | 91.3 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -80.4 | 124.5 | 173.4 | -175.4 | -0.4 | 0 | 0 | 0 | 111.1 | A927 V928 S933 Q934 | A927-D931 PolarHBondContact O-N 3.45Å; V928-D931 WeakPolarHBondContact O-CB 3.29Å; V928-D931 PolarHBondContact O-N 3.28Å; V928-D931 VanDerWaalsContact O-N 3.14Å; D931-S933 PolarHBondContact O-N 3.19Å; D931-S933 WeakPolarHBondContact OD1-CB 3.48Å; D931-S933 PolarHBondContact OD1-N 3.02Å; D931-S933 PolarHBondContact OD1-OG 2.93Å; D931-S933 PolarHBondContact OD2-OG 3.38Å; D931-Q934 HydrophobicContact CB-CB 4.45Å; D931-Q934 HydrophobicContact CB-CG 4.25Å; D931-Q934 PolarHBondContact O-N 3.27Å | ||
| 932 | R | 85 | Confident | 91.2 | Very high | 157 Ų | 157 | 39.7 Ų | 39.7 | 59% | 0.592 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -62.4 | -27.3 | 177.8 | -63.6 | -174.2 | -177.4 | -173.3 | 4.4 | 112.4 | Q934 T935 R1029 | R932-Q934 PolarHBondContact O-N 3.08Å; R932-T935 WeakPolarHBondContact O-CG2 3.44Å; R932-T935 PolarHBondContact O-OG1 2.89Å; R932-R1029 VanDerWaalsContact NH2-CG 3.27Å |
| 933 | S | 83.1 | Confident | 91.2 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -70.6 | -17.9 | 179.8 | 84.1 | 0 | 0 | 0 | 0 | 113.3 | D931 | D931-S933 PolarHBondContact O-N 3.19Å; D931-S933 WeakPolarHBondContact OD1-CB 3.48Å; D931-S933 PolarHBondContact OD1-N 3.02Å; D931-S933 PolarHBondContact OD1-OG 2.93Å; D931-S933 PolarHBondContact OD2-OG 3.38Å |
| 934 | Q | 85.3 | Confident | 91.2 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -107.4 | 9 | -172 | -65.8 | -64.9 | -23.3 | 0 | 0 | 114 | K881 H882 S888 V928 D931 R932 G936 N937 Q941 | K881-Q934 PolarHBondContact O-NE2 2.85Å; H882-Q934 PolarHBondContact O-NE2 3.43Å; H882-Q934 PolarHBondContact O-OE1 2.97Å; S888-Q934 PolarHBondContact OG-OE1 3.15Å; V928-Q934 HydrophobicContact CG1-CB 3.95Å; V928-Q934 HydrophobicContact CG1-CG 4.05Å; V928-Q934 WeakPolarHBondContact O-CB 3.3Å; D931-Q934 HydrophobicContact CB-CB 4.45Å; D931-Q934 HydrophobicContact CB-CG 4.25Å; D931-Q934 PolarHBondContact O-N 3.27Å; R932-Q934 PolarHBondContact O-N 3.08Å; Q934-G936 PolarHBondContact O-N 2.93Å; Q934-G936 VanDerWaalsContact O-N 3.17Å; Q934-N937 PolarHBondContact O-N 2.83Å; Q934-Q941 PolarHBondContact O-NE2 2.93Å |
| 935 | T | 84.2 | Confident | 91.3 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 43% | 0.429 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -64.9 | -20.5 | -175.5 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | R932 N937 L938 | R932-T935 WeakPolarHBondContact O-CG2 3.44Å; R932-T935 PolarHBondContact O-OG1 2.89Å; T935-N937 PolarHBondContact O-N 3.47Å; T935-N937 VanDerWaalsContact O-N 3.15Å; T935-L938 WeakPolarHBondContact O-CB 3.42Å; T935-L938 PolarHBondContact O-N 3.1Å |
| 936 | G | 84.3 | Confident | 91.3 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 47% | 0.474 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -61.6 | -20.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R885 Q934 | R885-G936 PolarHBondContact NH2-O 3.48Å; R885-G936 VanDerWaalsContact NH2-O 3.13Å; Q934-G936 PolarHBondContact O-N 2.93Å; Q934-G936 VanDerWaalsContact O-N 3.17Å |
| 937 | N | 89.7 | Confident | 91.3 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -111.4 | 16.9 | -180 | -71.7 | -20.6 | 0 | 0 | 0 | 113.3 | R885 S888 E889 L892 Q934 T935 T939 L940 Q941 | R885-N937 PolarHBondContact NE-OD1 3.01Å; S888-N937 WeakPolarHBondContact CB-ND2 3.5Å; S888-N937 PolarHBondContact OG-ND2 3.23Å; E889-N937 PolarHBondContact N-ND2 3.49Å; L892-N937 HydrophobicContact CD1-CB 3.7Å; Q934-N937 PolarHBondContact O-N 2.83Å; T935-N937 PolarHBondContact O-N 3.47Å; T935-N937 VanDerWaalsContact O-N 3.15Å; N937-T939 PolarHBondContact O-N 3.34Å; N937-T939 VanDerWaalsContact O-N 3.11Å; N937-L940 PolarHBondContact O-N 2.94Å; N937-Q941 WeakPolarHBondContact O-CG 3.46Å; N937-Q941 PolarHBondContact O-N 2.87Å |
| 938 | L | 91.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.3 | -39.3 | -174.8 | -176.2 | 65.4 | 0 | 0 | 0 | 113.2 | I929 T935 L940 Q941 S942 R1018 V1021 L1025 | I929-L938 HydrophobicContact CD1-CD1 4.13Å; I929-L938 HydrophobicContact CG1-CD1 3.86Å; T935-L938 WeakPolarHBondContact O-CB 3.42Å; T935-L938 PolarHBondContact O-N 3.1Å; L938-L940 PolarHBondContact O-N 3.13Å; L938-Q941 PolarHBondContact O-N 3.5Å; L938-S942 VanDerWaalsContact O-CB 3.31Å; L938-S942 WeakPolarHBondContact O-CB 3.27Å; L938-S942 PolarHBondContact O-N 2.85Å; L938-S942 PolarHBondContact O-OG 3.33Å; L938-R1018 HydrophobicContact CD2-CG 4.03Å; L938-R1018 HydrophobicContact CG-CG 4.02Å; L938-V1021 HydrophobicContact CD1-CG1 3.87Å; L938-L1025 HydrophobicContact CD1-CD1 4.27Å |
| 939 | T | 92 | Very high | 91.5 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | 178.6 | -58 | 0 | 0 | 0 | 0 | 112.4 | N937 S943 | N937-T939 PolarHBondContact O-N 3.34Å; N937-T939 VanDerWaalsContact O-N 3.11Å; T939-S943 WeakPolarHBondContact O-CB 3.3Å; T939-S943 PolarHBondContact O-N 3.34Å |
| 940 | L | 93 | Very high | 91.4 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.8 | -40.5 | 177.8 | -71.9 | 172.4 | 0 | 0 | 0 | 111.4 | E889 L892 N937 L938 S943 L944 | E889-L940 HydrophobicContact CB-CD1 4.34Å; E889-L940 HydrophobicContact CG-CD1 3.67Å; L892-L940 HydrophobicContact CB-CB 4.46Å; L892-L940 HydrophobicContact CD1-CB 3.93Å; N937-L940 PolarHBondContact O-N 2.94Å; L938-L940 PolarHBondContact O-N 3.13Å; L940-S943 PolarHBondContact O-N 3.07Å; L940-L944 WeakPolarHBondContact O-CB 3.46Å; L940-L944 PolarHBondContact O-N 2.98Å |
| 941 | Q | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.6 | -66.7 | 162.4 | 0.6 | 0 | 0 | 111.4 | L892 M925 I929 Q934 N937 L938 L944 L945 | L892-Q941 HydrophobicContact CD1-CG 3.91Å; L892-Q941 HydrophobicContact CD2-CG 4.02Å; M925-Q941 HydrophobicContact CE-CB 4.25Å; M925-Q941 HydrophobicContact CE-CG 4.3Å; I929-Q941 HydrophobicContact CD1-CB 3.96Å; I929-Q941 HydrophobicContact CG1-CB 4.24Å; Q934-Q941 PolarHBondContact O-NE2 2.93Å; N937-Q941 WeakPolarHBondContact O-CG 3.46Å; N937-Q941 PolarHBondContact O-N 2.87Å; L938-Q941 PolarHBondContact O-N 3.5Å; Q941-L944 PolarHBondContact O-N 2.98Å; Q941-L945 WeakPolarHBondContact O-CB 3.37Å; Q941-L945 WeakPolarHBondContact O-CG 3.34Å; Q941-L945 PolarHBondContact O-N 3.22Å |
| 942 | S | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.5 | -64 | 0 | 0 | 0 | 0 | 112.1 | L938 L944 L945 A946 R1018 | L938-S942 VanDerWaalsContact O-CB 3.31Å; L938-S942 WeakPolarHBondContact O-CB 3.27Å; L938-S942 PolarHBondContact O-N 2.85Å; L938-S942 PolarHBondContact O-OG 3.33Å; S942-L944 PolarHBondContact O-N 3.26Å; S942-L945 PolarHBondContact O-N 3.28Å; S942-A946 WeakPolarHBondContact O-CB 3.42Å; S942-A946 PolarHBondContact O-N 3Å; S942-R1018 WeakPolarHBondContact OG-CA 3.35Å |
| 943 | S | 95 | Very high | 91.5 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62 | -43 | 176 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | T939 L940 Y947 | T939-S943 WeakPolarHBondContact O-CB 3.3Å; T939-S943 PolarHBondContact O-N 3.34Å; L940-S943 PolarHBondContact O-N 3.07Å; S943-Y947 PolarHBondContact O-N 3.26Å |
| 944 | L | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 178.6 | 176.6 | 57.8 | 0 | 0 | 0 | 111.6 | L892 L895 H896 L899 M925 L940 Q941 S942 Y947 M948 | L892-L944 HydrophobicContact CD2-CD2 3.97Å; L895-L944 HydrophobicContact CB-CD2 4.27Å; L895-L944 HydrophobicContact CD2-CD2 3.68Å; L895-L944 HydrophobicContact CG-CD1 4.4Å; L895-L944 HydrophobicContact CG-CD2 3.99Å; H896-L944 HydrophobicContact CB-CD1 3.99Å; L899-L944 HydrophobicContact CD1-CD1 3.61Å; M925-L944 HydrophobicContact CE-CB 4.48Å; M925-L944 HydrophobicContact CE-CD2 3.65Å; M925-L944 HydrophobicContact CE-CG 4.25Å; M925-L944 HydrophobicContact CG-CD2 4.38Å; M925-L944 HydrophobicContact SD-CD2 3.58Å; M925-L944 VanDerWaalsContact SD-CD2 3.58Å; M925-L944 HydrophobicContact SD-CG 4.5Å; L940-L944 WeakPolarHBondContact O-CB 3.46Å; L940-L944 PolarHBondContact O-N 2.98Å; Q941-L944 PolarHBondContact O-N 2.98Å; S942-L944 PolarHBondContact O-N 3.26Å; L944-Y947 WeakPolarHBondContact O-CB 3.14Å; L944-Y947 PolarHBondContact O-N 3.16Å; L944-M948 WeakPolarHBondContact O-CG 3.14Å; L944-M948 PolarHBondContact O-N 3.29Å |
| 945 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.3 | -77.5 | 177.1 | 0 | 0 | 0 | 111.5 | L922 M925 F926 I929 Q941 S942 Y947 M948 F949 F1017 | L922-L945 HydrophobicContact CD1-CD2 3.79Å; M925-L945 HydrophobicContact CB-CD2 3.68Å; M925-L945 HydrophobicContact CB-CG 4.34Å; M925-L945 HydrophobicContact CG-CD2 4.4Å; F926-L945 HydrophobicContact CE2-CD2 4.37Å; I929-L945 HydrophobicContact CD1-CD1 3.38Å; I929-L945 HydrophobicContact CG2-CD1 4.39Å; Q941-L945 WeakPolarHBondContact O-CB 3.37Å; Q941-L945 WeakPolarHBondContact O-CG 3.34Å; Q941-L945 PolarHBondContact O-N 3.22Å; S942-L945 PolarHBondContact O-N 3.28Å; L945-Y947 PolarHBondContact O-N 3.14Å; L945-M948 HydrophobicContact CD2-SD 4.4Å; L945-M948 WeakPolarHBondContact O-CA 3.43Å; L945-M948 WeakPolarHBondContact O-CB 3.39Å; L945-M948 PolarHBondContact O-N 3.36Å; L945-F949 HydrophobicContact CD2-CE2 4.45Å; L945-F949 WeakPolarHBondContact O-CD2 3.37Å; L945-F949 PolarHBondContact O-N 3.47Å; L945-F1017 HydrophobicContact CB-CE1 3.67Å; L945-F1017 HydrophobicContact CB-CZ 3.63Å; L945-F1017 HydrophobicContact CD1-CE1 4.36Å |
| 946 | A | 95.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.4 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S942 F949 K950 V1014 F1017 | S942-A946 WeakPolarHBondContact O-CB 3.42Å; S942-A946 PolarHBondContact O-N 3Å; A946-F949 PolarHBondContact O-N 3.05Å; A946-K950 VanDerWaalsContact O-CB 3.22Å; A946-K950 WeakPolarHBondContact O-CB 3.33Å; A946-K950 PolarHBondContact O-N 3Å; A946-V1014 HydrophobicContact CB-CG2 4.39Å; A946-F1017 HydrophobicContact CB-CD1 4.43Å; A946-F1017 HydrophobicContact CB-CD2 3.86Å; A946-F1017 HydrophobicContact CB-CE2 4.06Å; A946-F1017 HydrophobicContact CB-CG 4.05Å; A946-F1017 HydrophobicContact CB-CZ 4.44Å |
| 947 | Y | 95.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 26.5 Ų | 26.5 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.7 | -174.4 | -98.5 | 0 | 0 | 0 | 112.7 | L899 V900 S903 S943 L944 L945 F949 K950 I951 | L899-Y947 HydrophobicContact CB-CD1 4.11Å; L899-Y947 HydrophobicContact CB-CE1 3.72Å; L899-Y947 HydrophobicContact CD1-CD1 4.35Å; V900-Y947 WeakPolarHBondContact CA-OH 3.47Å; V900-Y947 HydrophobicContact CG2-CE1 4.13Å; V900-Y947 HydrophobicContact CG2-CE2 4.03Å; S903-Y947 WeakPolarHBondContact CB-OH 3.24Å; S903-Y947 PolarHBondContact OG-OH 3.35Å; S903-Y947 VanDerWaalsContact OG-OH 3.09Å; S943-Y947 PolarHBondContact O-N 3.26Å; L944-Y947 WeakPolarHBondContact O-CB 3.14Å; L944-Y947 PolarHBondContact O-N 3.16Å; L945-Y947 PolarHBondContact O-N 3.14Å; Y947-F949 PolarHBondContact O-N 3.28Å; Y947-K950 WeakPolarHBondContact O-CB 3.41Å; Y947-K950 PolarHBondContact O-N 2.82Å; Y947-I951 HydrophobicContact CD1-CG2 4.1Å; Y947-I951 HydrophobicContact CE1-CG2 3.59Å; Y947-I951 HydrophobicContact CE2-CG2 4.18Å; Y947-I951 WeakPolarHBondContact O-CG2 3.29Å; Y947-I951 PolarHBondContact O-N 3.47Å |
| 948 | M | 95.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 177.5 | -70.6 | -177.5 | 72.8 | 0 | 0 | 113.2 | L899 F918 I921 L922 M925 L944 L945 I951 V952 | L899-M948 HydrophobicContact CD1-CG 3.68Å; L899-M948 HydrophobicContact CD1-SD 4.28Å; F918-M948 HydrophobicContact CD2-CE 4.17Å; F918-M948 HydrophobicContact CE2-CB 4.14Å; F918-M948 HydrophobicContact CE2-CE 3.89Å; F918-M948 HydrophobicContact CZ-CB 4.38Å; F918-M948 HydrophobicContact CZ-CE 4.24Å; I921-M948 HydrophobicContact CB-CE 4.04Å; I921-M948 HydrophobicContact CG2-CE 3.65Å; I921-M948 HydrophobicContact CG2-SD 3.9Å; L922-M948 HydrophobicContact CB-CE 3.78Å; L922-M948 HydrophobicContact CD1-CE 3.91Å; L922-M948 HydrophobicContact CD1-SD 4.34Å; L922-M948 HydrophobicContact CG-CE 4.44Å; M925-M948 HydrophobicContact CG-SD 4.22Å; L944-M948 WeakPolarHBondContact O-CG 3.14Å; L944-M948 PolarHBondContact O-N 3.29Å; L945-M948 HydrophobicContact CD2-SD 4.4Å; L945-M948 WeakPolarHBondContact O-CA 3.43Å; L945-M948 WeakPolarHBondContact O-CB 3.39Å; L945-M948 PolarHBondContact O-N 3.36Å; M948-I951 WeakPolarHBondContact O-CG1 3.35Å; M948-V952 WeakPolarHBondContact O-CG2 3.26Å |
| 949 | F | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -40.9 | 174.7 | -76.2 | -80.6 | 0 | 0 | 0 | 111.3 | L922 F926 L945 A946 Y947 I951 V952 E953 V980 L984 L1007 F1008 D1011 F1017 | L922-F949 HydrophobicContact CD1-CE2 4.26Å; L922-F949 HydrophobicContact CD1-CZ 4.31Å; F926-F949 HydrophobicContact CE2-CZ 4.28Å; F926-F949 HydrophobicContact CZ-CE2 4.42Å; F926-F949 HydrophobicContact CZ-CZ 4.25Å; L945-F949 HydrophobicContact CD2-CE2 4.45Å; L945-F949 WeakPolarHBondContact O-CD2 3.37Å; L945-F949 PolarHBondContact O-N 3.47Å; A946-F949 PolarHBondContact O-N 3.05Å; Y947-F949 PolarHBondContact O-N 3.28Å; F949-I951 VanDerWaalsContact C-N 3.31Å; F949-I951 PolarHBondContact O-N 2.61Å; F949-V952 PolarHBondContact O-N 2.94Å; F949-V952 VanDerWaalsContact O-N 3.12Å; F949-E953 PolarHBondContact O-N 3.2Å; F949-V980 HydrophobicContact CE1-CG1 4.21Å; F949-L984 HydrophobicContact CE1-CD1 3.79Å; F949-L984 HydrophobicContact CZ-CD1 3.58Å; F949-L1007 HydrophobicContact CD1-CB 4.17Å; F949-L1007 HydrophobicContact CD2-CB 4.05Å; F949-L1007 HydrophobicContact CE1-CB 3.94Å; F949-L1007 HydrophobicContact CE1-CD1 4.19Å; F949-L1007 HydrophobicContact CE2-CB 3.86Å; F949-L1007 HydrophobicContact CE2-CD1 3.81Å; F949-L1007 HydrophobicContact CE2-CD2 4.47Å; F949-L1007 HydrophobicContact CE2-CG 4.27Å; F949-L1007 HydrophobicContact CG-CB 4.24Å; F949-L1007 HydrophobicContact CZ-CB 3.8Å; F949-L1007 HydrophobicContact CZ-CD1 3.46Å; F949-L1007 VanDerWaalsContact CZ-CD1 3.46Å; F949-L1007 HydrophobicContact CZ-CG 4.22Å; F949-F1008 HydrophobicContact CB-CD1 4.45Å; F949-F1008 AromaticContact CD1-CD1 3.93Å; F949-F1008 HydrophobicContact CD1-CD1 3.93Å; F949-F1008 HydrophobicContact CD1-CD2 4.05Å; F949-F1008 AromaticContact CD1-CE1 3.7Å; F949-F1008 HydrophobicContact CD1-CE1 3.7Å; F949-F1008 AromaticContact CD1-CE2 3.82Å; F949-F1008 HydrophobicContact CD1-CE2 3.82Å; F949-F1008 HydrophobicContact CD1-CG 4.1Å; F949-F1008 AromaticContact CD1-CZ 3.65Å; F949-F1008 HydrophobicContact CD1-CZ 3.65Å; F949-F1008 HydrophobicContact CE1-CD2 4.29Å; F949-F1008 HydrophobicContact CE1-CE1 4.46Å; F949-F1008 AromaticContact CE1-CE2 3.85Å; F949-F1008 HydrophobicContact CE1-CE2 3.85Å; F949-F1008 AromaticContact CE1-CZ 3.96Å; F949-F1008 HydrophobicContact CE1-CZ 3.96Å; F949-D1011 HydrophobicContact CB-CB 4.13Å; F949-F1017 HydrophobicContact CD2-CE2 4.04Å; F949-F1017 AromaticContact CD2-CZ 3.93Å; F949-F1017 HydrophobicContact CD2-CZ 3.93Å; F949-F1017 HydrophobicContact CE2-CZ 4.21Å |
| 950 | K | 91.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 31 Ų | 31 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60 | -35.8 | 177 | -178.2 | 178.5 | 177.5 | 178.6 | 0 | 113.5 | A946 Y947 V952 N954 D1011 | A946-K950 VanDerWaalsContact O-CB 3.22Å; A946-K950 WeakPolarHBondContact O-CB 3.33Å; A946-K950 PolarHBondContact O-N 3Å; Y947-K950 WeakPolarHBondContact O-CB 3.41Å; Y947-K950 PolarHBondContact O-N 2.82Å; K950-V952 VanDerWaalsContact C-N 3.35Å; K950-N954 WeakPolarHBondContact CG-ND2 3.38Å; K950-N954 WeakPolarHBondContact O-CB 2.98Å; K950-N954 PolarHBondContact O-N 3.41Å; K950-N954 VanDerWaalsContact O-N 3.11Å; K950-N954 PolarHBondContact O-ND2 2.66Å; K950-D1011 WeakPolarHBondContact CA-OD2 3.41Å; K950-D1011 HydrophobicContact CB-CB 4.32Å |
| 951 | I | 91.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74 | -25.4 | 177.8 | 63.6 | 170.2 | 0 | 0 | 0 | 113.1 | F914 F918 Y947 M948 F949 I956 I957 | F914-I951 HydrophobicContact CD1-CD1 4.12Å; F914-I951 HydrophobicContact CE1-CD1 3.43Å; F914-I951 VanDerWaalsContact CE1-CD1 3.43Å; F914-I951 HydrophobicContact CZ-CD1 3.74Å; F918-I951 HydrophobicContact CD2-CD1 4.11Å; F918-I951 HydrophobicContact CE2-CD1 3.81Å; F918-I951 HydrophobicContact CE2-CG1 4.02Å; Y947-I951 HydrophobicContact CD1-CG2 4.1Å; Y947-I951 HydrophobicContact CE1-CG2 3.59Å; Y947-I951 HydrophobicContact CE2-CG2 4.18Å; Y947-I951 WeakPolarHBondContact O-CG2 3.29Å; Y947-I951 PolarHBondContact O-N 3.47Å; M948-I951 WeakPolarHBondContact O-CG1 3.35Å; F949-I951 VanDerWaalsContact C-N 3.31Å; F949-I951 PolarHBondContact O-N 2.61Å; I951-I956 HydrophobicContact CB-CB 4.18Å; I951-I956 HydrophobicContact CB-CD1 4.03Å; I951-I956 HydrophobicContact CB-CG2 4.39Å; I951-I956 HydrophobicContact CG2-CD1 3.7Å; I951-I956 WeakPolarHBondContact O-CB 3.36Å; I951-I956 PolarHBondContact O-N 3.22Å; I951-I957 HydrophobicContact CD1-CD1 4.36Å; I951-I957 HydrophobicContact CG1-CD1 4.43Å |
| 952 | V | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.9 | -38.4 | 174.2 | 177 | 0 | 0 | 0 | 0 | 110.7 | F918 M948 F949 K950 I957 N976 V977 V980 F1008 | F918-V952 HydrophobicContact CE1-CG2 3.67Å; F918-V952 HydrophobicContact CE2-CG2 3.79Å; F918-V952 HydrophobicContact CZ-CG2 3.17Å; M948-V952 WeakPolarHBondContact O-CG2 3.26Å; F949-V952 PolarHBondContact O-N 2.94Å; F949-V952 VanDerWaalsContact O-N 3.12Å; K950-V952 VanDerWaalsContact C-N 3.35Å; V952-I957 HydrophobicContact CG2-CD1 4.06Å; V952-N976 HydrophobicContact CG1-CB 4.09Å; V952-V977 HydrophobicContact CG1-CG2 3.85Å; V952-V980 HydrophobicContact CG1-CG2 4.27Å; V952-V980 HydrophobicContact CG2-CG2 4.29Å; V952-F1008 HydrophobicContact CB-CE1 4.43Å; V952-F1008 HydrophobicContact CG1-CE1 4.26Å |
| 953 | E | 86.8 | Confident | 89 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79 | -36.8 | -177.8 | -166.2 | 170.5 | 153 | 0 | 0 | 113.7 | F949 D955 K1055 | F949-E953 PolarHBondContact O-N 3.2Å; E953-D955 PolarHBondContact O-N 3.37Å; E953-D955 VanDerWaalsContact O-N 3.14Å; E953-K1055 WeakPolarHBondContact OE1-CE 3.4Å; E953-K1055 IonicContact OE1-NZ 3.75Å; E953-K1055 PolarHBondContact OE1-NZ 3.49Å; E953-K1055 IonicContact OE2-NZ 3.62Å; E953-K1055 PolarHBondContact OE2-NZ 3.42Å |
| 954 | N | 84.5 | Confident | 87.5 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 27.5 | -175.9 | -68.4 | -49.6 | 0 | 0 | 0 | 114.7 | K950 I956 | K950-N954 WeakPolarHBondContact CG-ND2 3.38Å; K950-N954 WeakPolarHBondContact O-CB 2.98Å; K950-N954 PolarHBondContact O-N 3.41Å; K950-N954 VanDerWaalsContact O-N 3.11Å; K950-N954 PolarHBondContact O-ND2 2.66Å; N954-I956 PolarHBondContact O-N 2.88Å |
| 955 | D | 79.1 | Confident | 85.5 | Confident | 77 Ų | 77 | 43.7 Ų | 43.7 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 26.2 | 177.7 | -77.4 | -65.8 | 0 | 0 | 0 | 114.7 | E953 I957 T958 S973 | E953-D955 PolarHBondContact O-N 3.37Å; E953-D955 VanDerWaalsContact O-N 3.14Å; D955-I957 VanDerWaalsContact C-N 3.32Å; D955-T958 VanDerWaalsContact O-CG2 3.24Å; D955-T958 WeakPolarHBondContact O-CG2 3.5Å; D955-S973 VanDerWaalsContact CG-OG 3.27Å; D955-S973 WeakPolarHBondContact OD1-CA 3.41Å; D955-S973 WeakPolarHBondContact OD1-CB 3.44Å; D955-S973 PolarHBondContact OD1-N 3.14Å; D955-S973 PolarHBondContact OD1-OG 3.2Å; D955-S973 PolarHBondContact OD2-OG 3.23Å |
| 956 | I | 86.5 | Confident | 83.3 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -70.5 | -36.9 | 172.6 | -67.8 | 174.4 | 0 | 0 | 0 | 109.5 | Q911 F914 I951 N954 | Q911-I956 PolarHBondContact NE2-O 3.12Å; F914-I956 HydrophobicContact CE2-CG2 3.85Å; F914-I956 HydrophobicContact CZ-CG2 4.48Å; I951-I956 HydrophobicContact CB-CB 4.18Å; I951-I956 HydrophobicContact CB-CD1 4.03Å; I951-I956 HydrophobicContact CB-CG2 4.39Å; I951-I956 HydrophobicContact CG2-CD1 3.7Å; I951-I956 WeakPolarHBondContact O-CB 3.36Å; I951-I956 PolarHBondContact O-N 3.22Å; N954-I956 PolarHBondContact O-N 2.88Å |
| 957 | I | 88.4 | Confident | 81 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -97 | 102 | 172.5 | -50.1 | 175.4 | 0 | 0 | 0 | 108.2 | F914 F918 I951 V952 D955 V959 L961 N976 | F914-I957 HydrophobicContact CB-CD1 3.88Å; F914-I957 HydrophobicContact CB-CG1 3.81Å; F914-I957 HydrophobicContact CB-CG2 4.08Å; F914-I957 HydrophobicContact CD1-CD1 4.11Å; F914-I957 HydrophobicContact CD1-CG1 4.34Å; F914-I957 HydrophobicContact CD2-CD1 4.43Å; F914-I957 HydrophobicContact CD2-CG1 3.77Å; F914-I957 HydrophobicContact CE2-CG1 4.41Å; F914-I957 HydrophobicContact CG-CD1 3.92Å; F914-I957 HydrophobicContact CG-CG1 3.74Å; F918-I957 HydrophobicContact CD2-CD1 3.76Å; F918-I957 HydrophobicContact CE2-CD1 4.03Å; F918-I957 HydrophobicContact CG-CD1 4.1Å; I951-I957 HydrophobicContact CD1-CD1 4.36Å; I951-I957 HydrophobicContact CG1-CD1 4.43Å; V952-I957 HydrophobicContact CG2-CD1 4.06Å; D955-I957 VanDerWaalsContact C-N 3.32Å; I957-V959 HydrophobicContact CG2-CG2 4.44Å; I957-L961 HydrophobicContact CG2-CD2 3.96Å; I957-L961 HydrophobicContact CG2-CG 4.16Å; I957-N976 PolarHBondContact O-ND2 3.06Å | ||
| 958 | T | 85.5 | Confident | 78.6 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | trans | -98.4 | -18.6 | -178 | 62.1 | 0 | 0 | 0 | 0 | 113 | Q911 D955 | Q911-T958 PolarHBondContact NE2-OG1 3.41Å; Q911-T958 PolarHBondContact OE1-OG1 2.87Å; D955-T958 VanDerWaalsContact O-CG2 3.24Å; D955-T958 WeakPolarHBondContact O-CG2 3.5Å | ||
| 959 | V | 86.8 | Confident | 76.5 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.255 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -81.1 | 147.1 | 173.7 | -65.4 | 0 | 0 | 0 | 0 | 111 | Q911 K915 I957 L961 N976 | Q911-V959 HydrophobicContact CB-CB 4.4Å; Q911-V959 HydrophobicContact CB-CG1 3.67Å; Q911-V959 HydrophobicContact CB-CG2 3.87Å; Q911-V959 HydrophobicContact CG-CG1 3.87Å; Q911-V959 HydrophobicContact CG-CG2 4.45Å; K915-V959 HydrophobicContact CB-CG2 3.97Å; I957-V959 HydrophobicContact CG2-CG2 4.44Å; V959-L961 PolarHBondContact O-N 2.87Å; V959-N976 PolarHBondContact O-ND2 3.2Å; V959-N976 PolarHBondContact O-OD1 3.19Å |
| 960 | P | 86.6 | Confident | 74.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | trans | -61 | 127.4 | 172.4 | -21.5 | 32.9 | 0 | 0 | 0 | 111 | S962 N976 | P960-S962 VanDerWaalsContact C-N 3.27Å; P960-N976 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 961 | L | 88.5 | Confident | 72.8 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -74.5 | -17.6 | 172.6 | -69.8 | 176 | 0 | 0 | 0 | 112.7 | F914 F918 I957 V959 N976 Y979 V980 | F914-L961 WeakPolarHBondContact O-CD2 3.46Å; F918-L961 HydrophobicContact CB-CD2 4.32Å; F918-L961 HydrophobicContact CD1-CD1 3.89Å; F918-L961 HydrophobicContact CE1-CD1 4.3Å; I957-L961 HydrophobicContact CG2-CD2 3.96Å; I957-L961 HydrophobicContact CG2-CG 4.16Å; V959-L961 PolarHBondContact O-N 2.87Å; L961-N976 HydrophobicContact CD1-CB 4.3Å; L961-N976 PolarHBondContact N-OD1 3.36Å; L961-Y979 HydrophobicContact CB-CD1 3.55Å; L961-Y979 HydrophobicContact CB-CE1 3.81Å; L961-V980 HydrophobicContact CD1-CG2 3.79Å |
| 962 | S | 82.7 | Confident | 71.4 | Confident | 24 Ų | 24 | 76.8 Ų | 76.8 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | trans | -85.7 | 140.5 | 176.3 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | P960 A964 | P960-S962 VanDerWaalsContact C-N 3.27Å; S962-A964 VanDerWaalsContact C-N 3.34Å | ||
| 963 | D | 72 | Confident | 70.2 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 74% | 0.738 | 46% | 0.456 | S | S | * | . | trans | -87.3 | -4.3 | 170 | -72.5 | -37.7 | 0 | 0 | 0 | 113 | K915 P965 | K915-D963 WeakPolarHBondContact CE-OD1 3.35Å; K915-D963 IonicContact NZ-OD1 2.63Å; K915-D963 PolarHBondContact NZ-OD1 3.33Å; D963-P965 WeakPolarHBondContact O-CD 3.3Å | ||
| 964 | A | 62.9 | Low | 69.8 | Low | 64 Ų | 64 | 82 Ų | 82 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | trans | -75.5 | 124.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S962 E966 | S962-A964 VanDerWaalsContact C-N 3.34Å; A964-E966 PolarHBondContact O-N 2.94Å | ||
| 965 | P | 53.5 | Low | 69.8 | Low | 124 Ų | 124 | 80.4 Ų | 80.4 | 81% | 0.805 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 4.3 | 179.3 | -19 | 31.8 | 0 | 0 | 0 | 116.3 | D963 | D963-P965 WeakPolarHBondContact O-CD 3.3Š|
| 966 | E | 49.8 | Very low | 70.3 | Confident | 178 Ų | 178 | 77 Ų | 77 | 83% | 0.832 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 15.9 | -154 | -69.9 | -168.6 | 161.7 | 0 | 0 | 118 | A964 | A964-E966 PolarHBondContact O-N 2.94Š|
| 967 | S | 47 | Very low | 70.5 | Confident | 80 Ų | 80 | 77 Ų | 77 | 56% | 0.559 | 45% | 0.452 | S | S | * | . | trans | -113.7 | 73.7 | 172.9 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 968 | T | 45 | Very low | 70.6 | Confident | 133 Ų | 133 | 81.1 Ų | 81.1 | 82% | 0.816 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 23.9 | -170.9 | 33.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 969 | T | 52.9 | Low | 70.9 | Confident | 135 Ų | 135 | 80.9 Ų | 80.9 | 83% | 0.828 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -15.3 | 176.7 | 45.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 970 | I | 55.4 | Low | 71.2 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | trans | -122.7 | 117.2 | -177.2 | -58.3 | 171.7 | 0 | 0 | 0 | 108.6 | K974 A975 Q978 | I970-K974 HydrophobicContact CG2-CB 3.56Å; I970-A975 HydrophobicContact CG2-CB 4.3Å; I970-Q978 VanDerWaalsContact CD1-OE1 3.24Å | ||
| 971 | Q | 53.3 | Low | 71.5 | Confident | 187 Ų | 187 | 77.2 Ų | 77.2 | 87% | 0.874 | 44% | 0.435 | S | S | * | . | trans | -104.4 | 148.3 | 177.6 | -66.2 | -177.2 | -10.7 | 0 | 0 | 110.3 | ||||
| 972 | G | 60.8 | Low | 71.8 | Confident | 41 Ų | 41 | 81.5 Ų | 81.5 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 87.5 | -167.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K974 A975 | G972-K974 PolarHBondContact O-N 3.5Å; G972-A975 WeakPolarHBondContact O-CB 3.46Å; G972-A975 PolarHBondContact O-N 2.94Å |
| 973 | S | 66.8 | Low | 72.3 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 15% | 0.154 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -42.1 | -37.9 | 178.7 | 39 | 0 | 0 | 0 | 0 | 114.8 | D955 A975 N976 V977 | D955-S973 VanDerWaalsContact CG-OG 3.27Å; D955-S973 WeakPolarHBondContact OD1-CA 3.41Å; D955-S973 WeakPolarHBondContact OD1-CB 3.44Å; D955-S973 PolarHBondContact OD1-N 3.14Å; D955-S973 PolarHBondContact OD1-OG 3.2Å; D955-S973 PolarHBondContact OD2-OG 3.23Å; S973-A975 PolarHBondContact O-N 3.48Å; S973-N976 PolarHBondContact O-N 3.29Å; S973-V977 WeakPolarHBondContact O-CG2 3.37Å; S973-V977 PolarHBondContact O-N 3.45Å |
| 974 | K | 78.2 | Confident | 73.4 | Confident | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.609 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.3 | -35 | 179.6 | -66.3 | -175.3 | -178.2 | 178.1 | 0 | 113.2 | I970 G972 Q978 | I970-K974 HydrophobicContact CG2-CB 3.56Å; G972-K974 PolarHBondContact O-N 3.5Å; K974-Q978 WeakPolarHBondContact O-CB 3.27Å; K974-Q978 PolarHBondContact O-N 3.38Å; K974-Q978 VanDerWaalsContact O-N 3.13Å |
| 975 | A | 83.6 | Confident | 74.9 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I970 G972 S973 Q978 Y979 | I970-A975 HydrophobicContact CG2-CB 4.3Å; G972-A975 WeakPolarHBondContact O-CB 3.46Å; G972-A975 PolarHBondContact O-N 2.94Å; S973-A975 PolarHBondContact O-N 3.48Å; A975-Q978 PolarHBondContact O-N 3.1Å; A975-Y979 WeakPolarHBondContact O-CB 3.49Å; A975-Y979 PolarHBondContact O-N 2.95Å |
| 976 | N | 90.4 | Very high | 76.8 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 178 | -77 | -21.6 | 0 | 0 | 0 | 111.7 | V952 I957 V959 P960 L961 S973 Q978 Y979 V980 | V952-N976 HydrophobicContact CG1-CB 4.09Å; I957-N976 PolarHBondContact O-ND2 3.06Å; V959-N976 PolarHBondContact O-ND2 3.2Å; V959-N976 PolarHBondContact O-OD1 3.19Å; P960-N976 WeakPolarHBondContact CA-OD1 3.45Å; L961-N976 HydrophobicContact CD1-CB 4.3Å; L961-N976 PolarHBondContact N-OD1 3.36Å; S973-N976 PolarHBondContact O-N 3.29Å; N976-Q978 VanDerWaalsContact C-N 3.32Å; N976-Q978 PolarHBondContact O-N 3.41Å; N976-Y979 PolarHBondContact O-N 3.44Å; N976-V980 VanDerWaalsContact O-CG2 3.32Å; N976-V980 WeakPolarHBondContact O-CG2 3.22Å; N976-V980 PolarHBondContact O-N 2.98Å |
| 977 | V | 90.6 | Very high | 78.9 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.7 | -48.8 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | V952 S973 Y979 V980 H981 F1008 | V952-V977 HydrophobicContact CG1-CG2 3.85Å; S973-V977 WeakPolarHBondContact O-CG2 3.37Å; S973-V977 PolarHBondContact O-N 3.45Å; V977-Y979 PolarHBondContact O-N 3.22Å; V977-V980 PolarHBondContact O-N 3.41Å; V977-H981 WeakPolarHBondContact O-CB 3.14Å; V977-H981 PolarHBondContact O-N 2.95Å; V977-F1008 HydrophobicContact CB-CE1 4.36Å; V977-F1008 HydrophobicContact CB-CZ 4.46Å; V977-F1008 HydrophobicContact CG1-CD1 4.29Å; V977-F1008 HydrophobicContact CG1-CE1 3.9Å; V977-F1008 HydrophobicContact CG1-CE2 4.3Å; V977-F1008 HydrophobicContact CG1-CZ 3.9Å; V977-F1008 HydrophobicContact CG2-CE1 4.09Å |
| 978 | Q | 90.4 | Very high | 81.2 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.8 | -175 | 177.4 | 0.8 | 0 | 0 | 112.5 | I970 K974 A975 N976 H981 Q982 | I970-Q978 VanDerWaalsContact CD1-OE1 3.24Å; K974-Q978 WeakPolarHBondContact O-CB 3.27Å; K974-Q978 PolarHBondContact O-N 3.38Å; K974-Q978 VanDerWaalsContact O-N 3.13Å; A975-Q978 PolarHBondContact O-N 3.1Å; N976-Q978 VanDerWaalsContact C-N 3.32Å; N976-Q978 PolarHBondContact O-N 3.41Å; Q978-H981 PolarHBondContact O-N 3.42Å; Q978-Q982 WeakPolarHBondContact O-CG 3.49Å; Q978-Q982 PolarHBondContact O-N 3.44Å |
| 979 | Y | 92 | Very high | 83.5 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 178.8 | 177.4 | -104.3 | 0 | 0 | 0 | 112.6 | M919 L961 A975 N976 V977 H981 Q982 S983 | M919-Y979 HydrophobicContact CG-CE1 4.11Å; M919-Y979 HydrophobicContact SD-CE1 4.31Å; L961-Y979 HydrophobicContact CB-CD1 3.55Å; L961-Y979 HydrophobicContact CB-CE1 3.81Å; A975-Y979 WeakPolarHBondContact O-CB 3.49Å; A975-Y979 PolarHBondContact O-N 2.95Å; N976-Y979 PolarHBondContact O-N 3.44Å; V977-Y979 PolarHBondContact O-N 3.22Å; Y979-H981 VanDerWaalsContact C-N 3.31Å; Y979-H981 PolarHBondContact O-N 3.2Å; Y979-Q982 PolarHBondContact O-N 2.7Å; Y979-S983 VanDerWaalsContact O-CB 3.3Å; Y979-S983 WeakPolarHBondContact O-CB 3.38Å; Y979-S983 PolarHBondContact O-N 3.29Å; Y979-S983 PolarHBondContact O-OG 2.89Å |
| 980 | V | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | F918 M919 L922 F949 V952 L961 N976 V977 S983 L984 F1008 | F918-V980 HydrophobicContact CE1-CG2 3.83Å; M919-V980 HydrophobicContact SD-CG2 4.05Å; L922-V980 HydrophobicContact CD2-CG1 3.93Å; F949-V980 HydrophobicContact CE1-CG1 4.21Å; V952-V980 HydrophobicContact CG1-CG2 4.27Å; V952-V980 HydrophobicContact CG2-CG2 4.29Å; L961-V980 HydrophobicContact CD1-CG2 3.79Å; N976-V980 VanDerWaalsContact O-CG2 3.32Å; N976-V980 WeakPolarHBondContact O-CG2 3.22Å; N976-V980 PolarHBondContact O-N 2.98Å; V977-V980 PolarHBondContact O-N 3.41Å; V980-S983 PolarHBondContact O-N 2.75Å; V980-L984 HydrophobicContact CG1-CD1 3.93Å; V980-L984 HydrophobicContact CG1-CG 4.35Å; V980-L984 WeakPolarHBondContact O-CB 3.5Å; V980-L984 WeakPolarHBondContact O-CG 3.44Å; V980-L984 PolarHBondContact O-N 3.4Å; V980-F1008 HydrophobicContact CB-CZ 4.31Å; V980-F1008 HydrophobicContact CG1-CZ 4.07Å |
| 981 | H | 93.9 | Very high | 87.2 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.1 | -53 | 176.3 | -171.3 | -68.3 | 0 | 0 | 0 | 112.1 | V977 Q978 Y979 S983 L984 S985 I1004 D1005 | V977-H981 WeakPolarHBondContact O-CB 3.14Å; V977-H981 PolarHBondContact O-N 2.95Å; Q978-H981 PolarHBondContact O-N 3.42Å; Y979-H981 VanDerWaalsContact C-N 3.31Å; Y979-H981 PolarHBondContact O-N 3.2Å; H981-S983 PolarHBondContact O-N 3.22Å; H981-L984 PolarHBondContact O-N 3.17Å; H981-S985 WeakPolarHBondContact O-CB 3.22Å; H981-S985 PolarHBondContact O-N 2.84Å; H981-I1004 HydrophobicContact CB-CG2 4.18Å; H981-I1004 WeakPolarHBondContact CD2-CG2 3.22Å; H981-D1005 IonicContact CD2-OD1 2.7Å; H981-D1005 PolarHBondContact CD2-OD1 3.37Å; H981-D1005 IonicContact CE1-OD1 2.76Å; H981-D1005 IonicContact NE2-OD1 2.76Å; H981-D1005 PolarHBondContact NE2-OD1 2.94Å |
| 982 | Q | 93.5 | Very high | 89.1 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 179.5 | -72.6 | 176.2 | -6.8 | 0 | 0 | 112.4 | Q978 Y979 S985 Q986 | Q978-Q982 WeakPolarHBondContact O-CG 3.49Å; Q978-Q982 PolarHBondContact O-N 3.44Å; Y979-Q982 PolarHBondContact O-N 2.7Å; Q982-S985 PolarHBondContact O-N 3.44Å; Q982-Q986 WeakPolarHBondContact O-CG 3.37Å; Q982-Q986 PolarHBondContact O-N 2.87Å; Q982-Q986 VanDerWaalsContact O-N 3.08Å |
| 983 | S | 93.6 | Very high | 90.5 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | M919 Y979 V980 H981 Q986 L987 | M919-S983 VanDerWaalsContact CE-CB 3.44Å; Y979-S983 VanDerWaalsContact O-CB 3.3Å; Y979-S983 WeakPolarHBondContact O-CB 3.38Å; Y979-S983 PolarHBondContact O-N 3.29Å; Y979-S983 PolarHBondContact O-OG 2.89Å; V980-S983 PolarHBondContact O-N 2.75Å; H981-S983 PolarHBondContact O-N 3.22Å; S983-Q986 PolarHBondContact O-N 3.43Å; S983-L987 WeakPolarHBondContact O-CB 3.47Å; S983-L987 PolarHBondContact O-N 2.97Å |
| 984 | L | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 174.2 | -75.8 | 177.9 | 0 | 0 | 0 | 112.1 | L922 F926 F949 V980 H981 Q986 L987 L988 I1004 | L922-L984 HydrophobicContact CD2-CD1 4.07Å; L922-L984 HydrophobicContact CD2-CD2 3.85Å; L922-L984 HydrophobicContact CD2-CG 4.06Å; L922-L984 HydrophobicContact CG-CD2 4.09Å; F926-L984 HydrophobicContact CD2-CD2 3.63Å; F926-L984 HydrophobicContact CE2-CD1 4.01Å; F926-L984 HydrophobicContact CE2-CD2 3.41Å; F926-L984 VanDerWaalsContact CE2-CD2 3.41Å; F926-L984 HydrophobicContact CE2-CG 4.37Å; F926-L984 HydrophobicContact CZ-CD1 4.35Å; F926-L984 HydrophobicContact CZ-CD2 4.21Å; F949-L984 HydrophobicContact CE1-CD1 3.79Å; F949-L984 HydrophobicContact CZ-CD1 3.58Å; V980-L984 HydrophobicContact CG1-CD1 3.93Å; V980-L984 HydrophobicContact CG1-CG 4.35Å; V980-L984 WeakPolarHBondContact O-CB 3.5Å; V980-L984 WeakPolarHBondContact O-CG 3.44Å; V980-L984 PolarHBondContact O-N 3.4Å; H981-L984 PolarHBondContact O-N 3.17Å; L984-Q986 VanDerWaalsContact C-N 3.34Å; L984-Q986 PolarHBondContact O-N 3.42Å; L984-L987 HydrophobicContact CD2-CD2 4.21Å; L984-L987 PolarHBondContact O-N 3.09Å; L984-L988 WeakPolarHBondContact O-CB 3.41Å; L984-L988 VanDerWaalsContact O-CG 3.3Å; L984-L988 WeakPolarHBondContact O-CG 3.37Å; L984-L988 PolarHBondContact O-N 3.25Å; L984-I1004 HydrophobicContact CB-CD1 3.83Å; L984-I1004 HydrophobicContact CB-CG1 4.23Å |
| 985 | S | 94.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | H981 Q982 K989 | H981-S985 WeakPolarHBondContact O-CB 3.22Å; H981-S985 PolarHBondContact O-N 2.84Å; Q982-S985 PolarHBondContact O-N 3.44Å; S985-K989 VanDerWaalsContact O-CB 3.27Å; S985-K989 WeakPolarHBondContact O-CB 3.5Å; S985-K989 PolarHBondContact O-N 3.01Å |
| 986 | Q | 94.7 | Very high | 92.5 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 66% | 0.659 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | 175.1 | -70.2 | 176.7 | 0.4 | 0 | 0 | 112.3 | Q982 S983 L984 K989 Q990 | Q982-Q986 WeakPolarHBondContact O-CG 3.37Å; Q982-Q986 PolarHBondContact O-N 2.87Å; Q982-Q986 VanDerWaalsContact O-N 3.08Å; S983-Q986 PolarHBondContact O-N 3.43Å; L984-Q986 VanDerWaalsContact C-N 3.34Å; L984-Q986 PolarHBondContact O-N 3.42Å; Q986-K989 PolarHBondContact O-N 2.97Å; Q986-Q990 WeakPolarHBondContact O-CB 3.43Å; Q986-Q990 PolarHBondContact O-N 3.33Å |
| 987 | L | 93.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -52.9 | 178.6 | 177.4 | 70.3 | 0 | 0 | 0 | 111.5 | Q923 S983 L984 K989 Q990 V991 | Q923-L987 HydrophobicContact CB-CD2 4.46Å; Q923-L987 HydrophobicContact CG-CD1 4.39Å; Q923-L987 HydrophobicContact CG-CD2 3.84Å; S983-L987 WeakPolarHBondContact O-CB 3.47Å; S983-L987 PolarHBondContact O-N 2.97Å; L984-L987 HydrophobicContact CD2-CD2 4.21Å; L984-L987 PolarHBondContact O-N 3.09Å; L987-K989 VanDerWaalsContact C-N 3.3Å; L987-K989 PolarHBondContact O-N 3.03Å; L987-Q990 PolarHBondContact O-N 3.43Å; L987-V991 HydrophobicContact CD1-CG2 4.24Å; L987-V991 WeakPolarHBondContact O-CG2 3.34Å; L987-V991 PolarHBondContact O-N 3.03Å |
| 988 | L | 94 | Very high | 92.6 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -36.3 | -177.8 | -67.5 | 176.4 | 0 | 0 | 0 | 111.3 | F926 L984 Q990 V991 F992 I1000 F1003 I1004 F1024 | F926-L988 HydrophobicContact CD1-CD2 4.36Å; L984-L988 WeakPolarHBondContact O-CB 3.41Å; L984-L988 VanDerWaalsContact O-CG 3.3Å; L984-L988 WeakPolarHBondContact O-CG 3.37Å; L984-L988 PolarHBondContact O-N 3.25Å; L988-Q990 VanDerWaalsContact C-N 3.34Å; L988-V991 PolarHBondContact O-N 3.27Å; L988-F992 HydrophobicContact CD2-CD2 4.35Å; L988-F992 HydrophobicContact CD2-CE2 4.32Å; L988-F992 WeakPolarHBondContact O-CA 3.35Å; L988-F992 PolarHBondContact O-N 2.94Å; L988-I1000 HydrophobicContact CB-CD1 4.39Å; L988-I1000 HydrophobicContact CB-CG1 4.42Å; L988-I1000 HydrophobicContact CB-CG2 4.17Å; L988-I1000 HydrophobicContact CD1-CG2 4.25Å; L988-F1003 HydrophobicContact CD1-CD1 3.7Å; L988-F1003 HydrophobicContact CD1-CE1 3.85Å; L988-I1004 HydrophobicContact CD1-CD1 4.37Å; L988-I1004 HydrophobicContact CD1-CG1 4.26Å; L988-F1024 HydrophobicContact CD1-CZ 4.1Å; L988-F1024 HydrophobicContact CD2-CE1 4.18Å; L988-F1024 HydrophobicContact CD2-CZ 4Å |
| 989 | K | 94.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 175.5 | -170.9 | 65.2 | -176.9 | 175.6 | 0 | 112.7 | S985 Q986 L987 P993 L995 I1000 | S985-K989 VanDerWaalsContact O-CB 3.27Å; S985-K989 WeakPolarHBondContact O-CB 3.5Å; S985-K989 PolarHBondContact O-N 3.01Å; Q986-K989 PolarHBondContact O-N 2.97Å; L987-K989 VanDerWaalsContact C-N 3.3Å; L987-K989 PolarHBondContact O-N 3.03Å; K989-P993 PolarHBondContact NZ-O 2.93Å; K989-P993 VanDerWaalsContact O-CA 3.31Å; K989-P993 WeakPolarHBondContact O-CA 3.36Å; K989-L995 PolarHBondContact NZ-O 3.38Å; K989-I1000 HydrophobicContact CB-CD1 3.86Å; K989-I1000 HydrophobicContact CD-CD1 3.82Å; K989-I1000 HydrophobicContact CG-CD1 4.45Å |
| 990 | Q | 93.8 | Very high | 92.7 | Very high | 162 Ų | 162 | 54.3 Ų | 54.3 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.4 | -44.3 | 175.9 | -177.6 | -178.8 | -6.5 | 0 | 0 | 111.8 | Q986 L987 L988 | Q986-Q990 WeakPolarHBondContact O-CB 3.43Å; Q986-Q990 PolarHBondContact O-N 3.33Å; L987-Q990 PolarHBondContact O-N 3.43Å; L988-Q990 VanDerWaalsContact C-N 3.34Å |
| 991 | V | 92.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.1 | -38.7 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | L987 L988 P993 | L987-V991 HydrophobicContact CD1-CG2 4.24Å; L987-V991 WeakPolarHBondContact O-CG2 3.34Å; L987-V991 PolarHBondContact O-N 3.03Å; L988-V991 PolarHBondContact O-N 3.27Å; V991-P993 WeakPolarHBondContact O-CD 3.35Å |
| 992 | F | 92.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | trans | -123.6 | 73.8 | -178.2 | -53.2 | -69.2 | 0 | 0 | 0 | 110.6 | T930 L988 H994 L995 I1028 | T930-F992 HydrophobicContact CG2-CE2 3.98Å; T930-F992 HydrophobicContact CG2-CZ 3.95Å; L988-F992 HydrophobicContact CD2-CD2 4.35Å; L988-F992 HydrophobicContact CD2-CE2 4.32Å; L988-F992 WeakPolarHBondContact O-CA 3.35Å; L988-F992 PolarHBondContact O-N 2.94Å; F992-H994 AromaticContact CD1-CE1 3.96Å; F992-H994 PolarHBondContact O-N 2.99Å; F992-H994 VanDerWaalsContact O-N 3.09Å; F992-L995 HydrophobicContact CB-CD1 3.58Å; F992-L995 HydrophobicContact CB-CG 3.79Å; F992-L995 HydrophobicContact CD2-CD1 4.32Å; F992-L995 HydrophobicContact CG-CD1 4.2Å; F992-L995 PolarHBondContact O-N 3.4Å; F992-I1028 HydrophobicContact CD1-CB 4.18Å; F992-I1028 HydrophobicContact CD1-CG2 4.36Å; F992-I1028 HydrophobicContact CD2-CG2 4.2Å; F992-I1028 HydrophobicContact CE1-CB 4.21Å; F992-I1028 HydrophobicContact CE1-CD1 4.15Å; F992-I1028 HydrophobicContact CE1-CG2 4.44Å; F992-I1028 HydrophobicContact CE2-CG2 4.29Å; F992-I1028 HydrophobicContact CG-CG2 4.23Å; F992-I1028 HydrophobicContact CZ-CD1 4.06Å; F992-I1028 HydrophobicContact CZ-CG2 4.42Å | ||
| 993 | P | 91.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 53 Ų | 53 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.7 | -173.2 | 25.2 | -35 | 0 | 0 | 0 | 113.6 | K989 V991 L995 | K989-P993 PolarHBondContact NZ-O 2.93Å; K989-P993 VanDerWaalsContact O-CA 3.31Å; K989-P993 WeakPolarHBondContact O-CA 3.36Å; V991-P993 WeakPolarHBondContact O-CD 3.35Å; P993-L995 VanDerWaalsContact C-N 3.31Å; P993-L995 PolarHBondContact O-N 3.47Å |
| 994 | H | 89.2 | Confident | 92.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.4 | 177.7 | 61.3 | -77.9 | 0 | 0 | 0 | 114.7 | F992 I1028 V1031 | F992-H994 AromaticContact CD1-CE1 3.96Å; F992-H994 PolarHBondContact O-N 2.99Å; F992-H994 VanDerWaalsContact O-N 3.09Å; H994-I1028 PolarHBondContact NE2-O 3.34Å; H994-V1031 HydrophobicContact CB-CG1 4.1Å; H994-V1031 HydrophobicContact CB-CG2 4.29Å |
| 995 | L | 91.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -76.2 | 140.5 | 174.7 | -63.2 | 178.3 | 0 | 0 | 0 | 110.9 | K989 F992 P993 I1000 F1024 I1028 | K989-L995 PolarHBondContact NZ-O 3.38Å; F992-L995 HydrophobicContact CB-CD1 3.58Å; F992-L995 HydrophobicContact CB-CG 3.79Å; F992-L995 HydrophobicContact CD2-CD1 4.32Å; F992-L995 HydrophobicContact CG-CD1 4.2Å; F992-L995 PolarHBondContact O-N 3.4Å; P993-L995 VanDerWaalsContact C-N 3.31Å; P993-L995 PolarHBondContact O-N 3.47Å; L995-I1000 HydrophobicContact CB-CD1 4.14Å; L995-I1000 HydrophobicContact CB-CG1 4.06Å; L995-I1000 HydrophobicContact CD1-CG1 4.3Å; L995-F1024 HydrophobicContact CD1-CE2 3.74Å; L995-F1024 HydrophobicContact CD1-CZ 3.78Å; L995-I1028 HydrophobicContact CD1-CG2 4.02Å |
| 996 | Q | 89.7 | Confident | 92.8 | Very high | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | trans | -76.7 | 156.2 | 172 | -64.2 | -158.8 | 19.5 | 0 | 0 | 112.2 | T998 Q999 I1000 G1033 E1034 L1036 | Q996-T998 VanDerWaalsContact C-N 3.27Å; Q996-T998 PolarHBondContact O-N 3.24Å; Q996-Q999 HydrophobicContact CB-CG 4.37Å; Q996-Q999 PolarHBondContact O-N 3.41Å; Q996-I1000 PolarHBondContact O-N 3.42Å; Q996-G1033 PolarHBondContact NE2-O 3.25Å; Q996-E1034 PolarHBondContact NE2-O 2.86Å; Q996-L1036 HydrophobicContact CB-CD1 4.07Å; Q996-L1036 HydrophobicContact CB-CD2 4.47Å; Q996-L1036 HydrophobicContact CG-CD1 4.27Å; Q996-L1036 HydrophobicContact CG-CD2 4.05Å | ||
| 997 | E | 91.2 | Very high | 92.9 | Very high | 148 Ų | 148 | 46.3 Ų | 46.3 | 69% | 0.692 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.9 | -35.4 | -178.5 | -173.3 | 170.7 | -173.4 | 0 | 0 | 112.6 | I1000 R1001 | E997-I1000 PolarHBondContact O-N 3.31Å; E997-R1001 WeakPolarHBondContact O-CB 3.48Å; E997-R1001 PolarHBondContact O-N 3.09Å |
| 998 | T | 91.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 28% | 0.282 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.5 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | Q996 I1000 R1001 V1002 L1036 | Q996-T998 VanDerWaalsContact C-N 3.27Å; Q996-T998 PolarHBondContact O-N 3.24Å; T998-I1000 VanDerWaalsContact C-N 3.34Å; T998-I1000 PolarHBondContact O-N 3.36Å; T998-R1001 PolarHBondContact O-N 3.15Å; T998-V1002 VanDerWaalsContact O-CG2 3.3Å; T998-V1002 WeakPolarHBondContact O-CG2 3.36Å; T998-V1002 PolarHBondContact O-N 3.33Å; T998-L1036 WeakPolarHBondContact OG1-CD1 3.45Å |
| 999 | Q | 91.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.8 | -65.3 | 177.9 | -92.9 | 0 | 0 | 111.5 | Q996 F1003 L1036 L1039 L1041 | Q996-Q999 HydrophobicContact CB-CG 4.37Å; Q996-Q999 PolarHBondContact O-N 3.41Å; Q999-F1003 WeakPolarHBondContact O-CB 3.31Å; Q999-F1003 PolarHBondContact O-N 3.11Å; Q999-L1036 HydrophobicContact CG-CD1 4.44Å; Q999-L1036 HydrophobicContact CG-CD2 4.26Å; Q999-L1039 HydrophobicContact CG-CD1 3.68Å; Q999-L1039 VanDerWaalsContact NE2-CD1 3.34Å; Q999-L1041 HydrophobicContact CG-CD1 4.23Å |
| 1000 | I | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.8 | -65.9 | 172.3 | 0 | 0 | 0 | 110.3 | L988 K989 L995 Q996 E997 T998 F1003 I1004 | L988-I1000 HydrophobicContact CB-CD1 4.39Å; L988-I1000 HydrophobicContact CB-CG1 4.42Å; L988-I1000 HydrophobicContact CB-CG2 4.17Å; L988-I1000 HydrophobicContact CD1-CG2 4.25Å; K989-I1000 HydrophobicContact CB-CD1 3.86Å; K989-I1000 HydrophobicContact CD-CD1 3.82Å; K989-I1000 HydrophobicContact CG-CD1 4.45Å; L995-I1000 HydrophobicContact CB-CD1 4.14Å; L995-I1000 HydrophobicContact CB-CG1 4.06Å; L995-I1000 HydrophobicContact CD1-CG1 4.3Å; Q996-I1000 PolarHBondContact O-N 3.42Å; E997-I1000 PolarHBondContact O-N 3.31Å; T998-I1000 VanDerWaalsContact C-N 3.34Å; T998-I1000 PolarHBondContact O-N 3.36Å; I1000-F1003 PolarHBondContact O-N 2.96Å; I1000-I1004 HydrophobicContact CG2-CD1 3.7Å; I1000-I1004 HydrophobicContact CG2-CG1 4.49Å; I1000-I1004 VanDerWaalsContact O-CG1 3.27Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.39Å; I1000-I1004 PolarHBondContact O-N 3.02Å |
| 1001 | R | 94.5 | Very high | 92.7 | Very high | 106 Ų | 106 | 34.6 Ų | 34.6 | 40% | 0.4 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 177.4 | -177.4 | -172.1 | 70.4 | -160.3 | 2.7 | 111.7 | E997 T998 F1003 I1004 D1005 E1045 | E997-R1001 WeakPolarHBondContact O-CB 3.48Å; E997-R1001 PolarHBondContact O-N 3.09Å; T998-R1001 PolarHBondContact O-N 3.15Å; R1001-F1003 VanDerWaalsContact C-N 3.26Å; R1001-F1003 PolarHBondContact O-N 3.23Å; R1001-I1004 PolarHBondContact O-N 3.45Å; R1001-I1004 VanDerWaalsContact O-N 3.13Å; R1001-D1005 PolarHBondContact O-N 3.41Å; R1001-E1045 IonicContact CZ-OE1 3.79Å; R1001-E1045 IonicContact NE-OE1 3.88Å; R1001-E1045 IonicContact NH2-OE1 2.87Å; R1001-E1045 PolarHBondContact NH2-OE1 3.05Å |
| 1002 | V | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | -178.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | T998 G1006 L1041 R1044 E1045 I1048 | T998-V1002 VanDerWaalsContact O-CG2 3.3Å; T998-V1002 WeakPolarHBondContact O-CG2 3.36Å; T998-V1002 PolarHBondContact O-N 3.33Å; V1002-G1006 PolarHBondContact O-N 3.48Å; V1002-G1006 VanDerWaalsContact O-N 3.07Å; V1002-L1041 HydrophobicContact CB-CD2 4.31Å; V1002-L1041 HydrophobicContact CG1-CD2 4.18Å; V1002-L1041 HydrophobicContact CG2-CB 4.37Å; V1002-L1041 HydrophobicContact CG2-CD2 4.36Å; V1002-R1044 HydrophobicContact CG1-CB 4.3Å; V1002-R1044 HydrophobicContact CG1-CG 4.07Å; V1002-E1045 HydrophobicContact CG1-CG 4.39Å; V1002-E1045 HydrophobicContact CG2-CG 3.62Å; V1002-E1045 WeakPolarHBondContact CG2-OE1 3.28Å; V1002-I1048 HydrophobicContact CG1-CD1 3.84Å; V1002-I1048 WeakPolarHBondContact O-CD1 3.17Å |
| 1003 | F | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -51.1 | 175.1 | 174.7 | -118.2 | 0 | 0 | 0 | 111.6 | F926 L988 Q999 I1000 R1001 D1005 G1006 L1007 H1020 V1021 F1024 | F926-F1003 AromaticContact CE1-CE1 3.68Å; F926-F1003 HydrophobicContact CE1-CE1 3.68Å; F926-F1003 AromaticContact CE1-CZ 3.86Å; F926-F1003 HydrophobicContact CE1-CZ 3.86Å; F926-F1003 HydrophobicContact CZ-CE1 4.28Å; L988-F1003 HydrophobicContact CD1-CD1 3.7Å; L988-F1003 HydrophobicContact CD1-CE1 3.85Å; Q999-F1003 WeakPolarHBondContact O-CB 3.31Å; Q999-F1003 PolarHBondContact O-N 3.11Å; I1000-F1003 PolarHBondContact O-N 2.96Å; R1001-F1003 VanDerWaalsContact C-N 3.26Å; R1001-F1003 PolarHBondContact O-N 3.23Å; F1003-D1005 VanDerWaalsContact C-N 3.35Å; F1003-D1005 PolarHBondContact O-N 2.86Å; F1003-G1006 PolarHBondContact O-N 2.99Å; F1003-L1007 HydrophobicContact CD1-CD1 4.24Å; F1003-L1007 HydrophobicContact CE1-CD1 3.79Å; F1003-L1007 HydrophobicContact CE1-CG 4.47Å; F1003-L1007 HydrophobicContact CE2-CD1 4.37Å; F1003-L1007 HydrophobicContact CE2-CD2 3.82Å; F1003-L1007 HydrophobicContact CE2-CG 4.2Å; F1003-L1007 HydrophobicContact CZ-CD1 3.87Å; F1003-L1007 HydrophobicContact CZ-CD2 3.87Å; F1003-L1007 HydrophobicContact CZ-CG 4.18Å; F1003-L1007 WeakPolarHBondContact O-CG 3.31Å; F1003-L1007 PolarHBondContact O-N 3.27Å; F1003-L1007 VanDerWaalsContact O-N 3.11Å; F1003-H1020 WeakPolarHBondContact CA-NE2 3.42Å; F1003-H1020 AromaticContact CD2-CD2 3.71Å; F1003-H1020 AromaticContact CD2-NE2 3.48Å; F1003-H1020 WeakPolarHBondContact CD2-NE2 3.44Å; F1003-H1020 PolarHBondContact O-NE2 2.9Å; F1003-V1021 HydrophobicContact CE2-CG2 4.48Å; F1003-F1024 HydrophobicContact CB-CD2 3.81Å; F1003-F1024 HydrophobicContact CB-CE2 4.16Å; F1003-F1024 HydrophobicContact CD1-CD1 4.19Å; F1003-F1024 AromaticContact CD1-CD2 3.66Å; F1003-F1024 HydrophobicContact CD1-CD2 3.66Å; F1003-F1024 HydrophobicContact CD1-CE1 4.2Å; F1003-F1024 AromaticContact CD1-CE2 3.67Å; F1003-F1024 HydrophobicContact CD1-CE2 3.67Å; F1003-F1024 AromaticContact CD1-CG 3.93Å; F1003-F1024 HydrophobicContact CD1-CG 3.93Å; F1003-F1024 AromaticContact CD1-CZ 3.96Å; F1003-F1024 HydrophobicContact CD1-CZ 3.96Å; F1003-F1024 HydrophobicContact CD2-CB 3.49Å; F1003-F1024 VanDerWaalsContact CD2-CB 3.49Å; F1003-F1024 HydrophobicContact CD2-CD1 4.36Å; F1003-F1024 AromaticContact CD2-CD2 3.69Å; F1003-F1024 HydrophobicContact CD2-CD2 3.69Å; F1003-F1024 AromaticContact CD2-CG 3.59Å; F1003-F1024 HydrophobicContact CD2-CG 3.59Å; F1003-F1024 AromaticContact CE1-CD1 3.75Å; F1003-F1024 HydrophobicContact CE1-CD1 3.75Å; F1003-F1024 HydrophobicContact CE1-CD2 4.08Å; F1003-F1024 AromaticContact CE1-CE1 3.82Å; F1003-F1024 HydrophobicContact CE1-CE1 3.82Å; F1003-F1024 HydrophobicContact CE1-CE2 4.15Å; F1003-F1024 AromaticContact CE1-CG 3.89Å; F1003-F1024 HydrophobicContact CE1-CG 3.89Å; F1003-F1024 HydrophobicContact CE1-CZ 4.03Å; F1003-F1024 HydrophobicContact CE2-CB 3.4Å; F1003-F1024 AromaticContact CE2-CD1 3.96Å; F1003-F1024 HydrophobicContact CE2-CD1 3.96Å; F1003-F1024 HydrophobicContact CE2-CD2 4.13Å; F1003-F1024 AromaticContact CE2-CG 3.57Å; F1003-F1024 HydrophobicContact CE2-CG 3.57Å; F1003-F1024 HydrophobicContact CG-CB 4.16Å; F1003-F1024 HydrophobicContact CG-CD1 4.46Å; F1003-F1024 AromaticContact CG-CD2 3.42Å; F1003-F1024 HydrophobicContact CG-CD2 3.42Å; F1003-F1024 VanDerWaalsContact CG-CD2 3.42Å; F1003-F1024 AromaticContact CG-CE2 3.86Å; F1003-F1024 HydrophobicContact CG-CE2 3.86Å; F1003-F1024 AromaticContact CG-CG 3.77Å; F1003-F1024 HydrophobicContact CG-CG 3.77Å; F1003-F1024 HydrophobicContact CZ-CB 4Å; F1003-F1024 AromaticContact CZ-CD1 3.62Å; F1003-F1024 HydrophobicContact CZ-CD1 3.62Å; F1003-F1024 HydrophobicContact CZ-CD2 4.3Å; F1003-F1024 HydrophobicContact CZ-CE1 4.16Å; F1003-F1024 AromaticContact CZ-CG 3.71Å; F1003-F1024 HydrophobicContact CZ-CG 3.71Å |
| 1004 | I | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | -178.2 | -63.4 | 166.5 | 0 | 0 | 0 | 111.4 | H981 L984 L988 I1000 R1001 G1006 L1007 F1008 | H981-I1004 HydrophobicContact CB-CG2 4.18Å; H981-I1004 WeakPolarHBondContact CD2-CG2 3.22Å; L984-I1004 HydrophobicContact CB-CD1 3.83Å; L984-I1004 HydrophobicContact CB-CG1 4.23Å; L988-I1004 HydrophobicContact CD1-CD1 4.37Å; L988-I1004 HydrophobicContact CD1-CG1 4.26Å; I1000-I1004 HydrophobicContact CG2-CD1 3.7Å; I1000-I1004 HydrophobicContact CG2-CG1 4.49Å; I1000-I1004 VanDerWaalsContact O-CG1 3.27Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.39Å; I1000-I1004 PolarHBondContact O-N 3.02Å; R1001-I1004 PolarHBondContact O-N 3.45Å; R1001-I1004 VanDerWaalsContact O-N 3.13Å; I1004-G1006 VanDerWaalsContact C-N 3.29Å; I1004-G1006 PolarHBondContact O-N 3.43Å; I1004-L1007 WeakPolarHBondContact O-CB 3.49Å; I1004-L1007 PolarHBondContact O-N 3.46Å; I1004-L1007 VanDerWaalsContact O-N 3.16Å; I1004-F1008 HydrophobicContact CG2-CD2 4.42Å; I1004-F1008 HydrophobicContact CG2-CE2 4.2Å; I1004-F1008 WeakPolarHBondContact O-CD2 3.49Å; I1004-F1008 PolarHBondContact O-N 2.87Å |
| 1005 | D | 93.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 34 Ų | 34 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62 | -38.6 | 177.8 | -66 | -15.3 | 0 | 0 | 0 | 111.6 | H981 R1001 F1003 F1008 S1009 I1048 | H981-D1005 IonicContact CD2-OD1 2.7Å; H981-D1005 PolarHBondContact CD2-OD1 3.37Å; H981-D1005 IonicContact CE1-OD1 2.76Å; H981-D1005 IonicContact NE2-OD1 2.76Å; H981-D1005 PolarHBondContact NE2-OD1 2.94Å; R1001-D1005 PolarHBondContact O-N 3.41Å; F1003-D1005 VanDerWaalsContact C-N 3.35Å; F1003-D1005 PolarHBondContact O-N 2.86Å; D1005-F1008 PolarHBondContact O-N 3.42Å; D1005-S1009 WeakPolarHBondContact O-CB 3.44Å; D1005-S1009 PolarHBondContact O-N 3.32Å; D1005-S1009 VanDerWaalsContact O-N 3.13Å; D1005-S1009 PolarHBondContact O-OG 3.3Å; D1005-I1048 HydrophobicContact CB-CG2 4.25Å |
| 1006 | G | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1002 F1003 I1004 F1008 S1009 F1010 | V1002-G1006 PolarHBondContact O-N 3.48Å; V1002-G1006 VanDerWaalsContact O-N 3.07Å; F1003-G1006 PolarHBondContact O-N 2.99Å; I1004-G1006 VanDerWaalsContact C-N 3.29Å; I1004-G1006 PolarHBondContact O-N 3.43Å; G1006-F1008 VanDerWaalsContact C-N 3.33Å; G1006-F1008 PolarHBondContact O-N 2.97Å; G1006-S1009 PolarHBondContact O-N 3.39Å; G1006-F1010 WeakPolarHBondContact O-CB 3.39Å; G1006-F1010 WeakPolarHBondContact O-CD2 3.45Å; G1006-F1010 PolarHBondContact O-N 3.23Å |
| 1007 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.6 | -61.8 | 172 | 0 | 0 | 0 | 112.3 | F926 F949 F1003 I1004 F1017 V1021 | F926-L1007 HydrophobicContact CE1-CD1 4.32Å; F926-L1007 HydrophobicContact CZ-CD1 3.67Å; F949-L1007 HydrophobicContact CD1-CB 4.17Å; F949-L1007 HydrophobicContact CD2-CB 4.05Å; F949-L1007 HydrophobicContact CE1-CB 3.94Å; F949-L1007 HydrophobicContact CE1-CD1 4.19Å; F949-L1007 HydrophobicContact CE2-CB 3.86Å; F949-L1007 HydrophobicContact CE2-CD1 3.81Å; F949-L1007 HydrophobicContact CE2-CD2 4.47Å; F949-L1007 HydrophobicContact CE2-CG 4.27Å; F949-L1007 HydrophobicContact CG-CB 4.24Å; F949-L1007 HydrophobicContact CZ-CB 3.8Å; F949-L1007 HydrophobicContact CZ-CD1 3.46Å; F949-L1007 VanDerWaalsContact CZ-CD1 3.46Å; F949-L1007 HydrophobicContact CZ-CG 4.22Å; F1003-L1007 HydrophobicContact CD1-CD1 4.24Å; F1003-L1007 HydrophobicContact CE1-CD1 3.79Å; F1003-L1007 HydrophobicContact CE1-CG 4.47Å; F1003-L1007 HydrophobicContact CE2-CD1 4.37Å; F1003-L1007 HydrophobicContact CE2-CD2 3.82Å; F1003-L1007 HydrophobicContact CE2-CG 4.2Å; F1003-L1007 HydrophobicContact CZ-CD1 3.87Å; F1003-L1007 HydrophobicContact CZ-CD2 3.87Å; F1003-L1007 HydrophobicContact CZ-CG 4.18Å; F1003-L1007 WeakPolarHBondContact O-CG 3.31Å; F1003-L1007 PolarHBondContact O-N 3.27Å; F1003-L1007 VanDerWaalsContact O-N 3.11Å; I1004-L1007 WeakPolarHBondContact O-CB 3.49Å; I1004-L1007 PolarHBondContact O-N 3.46Å; I1004-L1007 VanDerWaalsContact O-N 3.16Å; L1007-F1017 HydrophobicContact CB-CE2 4.03Å; L1007-F1017 HydrophobicContact CB-CZ 4.29Å; L1007-F1017 HydrophobicContact CD2-CE1 3.82Å; L1007-F1017 HydrophobicContact CD2-CE2 3.77Å; L1007-F1017 HydrophobicContact CD2-CZ 3.34Å; L1007-F1017 HydrophobicContact CG-CZ 4.37Å; L1007-F1017 VanDerWaalsContact O-CE2 3.26Å; L1007-F1017 WeakPolarHBondContact O-CE2 3.35Å; L1007-V1021 HydrophobicContact CD2-CG2 4.22Å |
| 1008 | F | 93.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.9 | -35.4 | 174.3 | -76.2 | -78.6 | 0 | 0 | 0 | 112.5 | F949 V952 V977 V980 I1004 D1005 G1006 D1011 K1055 | F949-F1008 HydrophobicContact CB-CD1 4.45Å; F949-F1008 AromaticContact CD1-CD1 3.93Å; F949-F1008 HydrophobicContact CD1-CD1 3.93Å; F949-F1008 HydrophobicContact CD1-CD2 4.05Å; F949-F1008 AromaticContact CD1-CE1 3.7Å; F949-F1008 HydrophobicContact CD1-CE1 3.7Å; F949-F1008 AromaticContact CD1-CE2 3.82Å; F949-F1008 HydrophobicContact CD1-CE2 3.82Å; F949-F1008 HydrophobicContact CD1-CG 4.1Å; F949-F1008 AromaticContact CD1-CZ 3.65Å; F949-F1008 HydrophobicContact CD1-CZ 3.65Å; F949-F1008 HydrophobicContact CE1-CD2 4.29Å; F949-F1008 HydrophobicContact CE1-CE1 4.46Å; F949-F1008 AromaticContact CE1-CE2 3.85Å; F949-F1008 HydrophobicContact CE1-CE2 3.85Å; F949-F1008 AromaticContact CE1-CZ 3.96Å; F949-F1008 HydrophobicContact CE1-CZ 3.96Å; V952-F1008 HydrophobicContact CB-CE1 4.43Å; V952-F1008 HydrophobicContact CG1-CE1 4.26Å; V977-F1008 HydrophobicContact CB-CE1 4.36Å; V977-F1008 HydrophobicContact CB-CZ 4.46Å; V977-F1008 HydrophobicContact CG1-CD1 4.29Å; V977-F1008 HydrophobicContact CG1-CE1 3.9Å; V977-F1008 HydrophobicContact CG1-CE2 4.3Å; V977-F1008 HydrophobicContact CG1-CZ 3.9Å; V977-F1008 HydrophobicContact CG2-CE1 4.09Å; V980-F1008 HydrophobicContact CB-CZ 4.31Å; V980-F1008 HydrophobicContact CG1-CZ 4.07Å; I1004-F1008 HydrophobicContact CG2-CD2 4.42Å; I1004-F1008 HydrophobicContact CG2-CE2 4.2Å; I1004-F1008 WeakPolarHBondContact O-CD2 3.49Å; I1004-F1008 PolarHBondContact O-N 2.87Å; D1005-F1008 PolarHBondContact O-N 3.42Å; G1006-F1008 VanDerWaalsContact C-N 3.33Å; G1006-F1008 PolarHBondContact O-N 2.97Å; F1008-D1011 VanDerWaalsContact O-CG 3.29Å; F1008-K1055 PolarHBondContact O-NZ 3.44Å |
| 1009 | S | 92.8 | Very high | 93 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.7 | -31.5 | -175 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | D1005 G1006 I1048 | D1005-S1009 WeakPolarHBondContact O-CB 3.44Å; D1005-S1009 PolarHBondContact O-N 3.32Å; D1005-S1009 VanDerWaalsContact O-N 3.13Å; D1005-S1009 PolarHBondContact O-OG 3.3Å; G1006-S1009 PolarHBondContact O-N 3.39Å; S1009-I1048 VanDerWaalsContact OG-CG2 3.25Å; S1009-I1048 WeakPolarHBondContact OG-CG2 3.45Å |
| 1010 | F | 93.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -99.1 | 5.8 | -179.4 | -57.6 | -55.4 | 0 | 0 | 0 | 114.4 | G1006 Q1012 D1013 A1016 F1017 H1020 I1048 A1051 | G1006-F1010 WeakPolarHBondContact O-CB 3.39Å; G1006-F1010 WeakPolarHBondContact O-CD2 3.45Å; G1006-F1010 PolarHBondContact O-N 3.23Å; F1010-Q1012 PolarHBondContact O-N 3.25Å; F1010-D1013 CarbonylContact O-C 3.54Å; F1010-D1013 PolarHBondContact O-N 3.26Å; F1010-D1013 VanDerWaalsContact O-O 3.09Å; F1010-A1016 HydrophobicContact CB-CB 4.29Å; F1010-A1016 HydrophobicContact CD1-CB 3.69Å; F1010-A1016 HydrophobicContact CE1-CB 4.22Å; F1010-A1016 HydrophobicContact CG-CB 4.06Å; F1010-F1017 HydrophobicContact CB-CB 3.99Å; F1010-F1017 HydrophobicContact CB-CD2 4.2Å; F1010-H1020 HydrophobicContact CD2-CB 3.87Å; F1010-H1020 AromaticContact CD2-CG 3.87Å; F1010-H1020 HydrophobicContact CE2-CB 4.1Å; F1010-H1020 AromaticContact CE2-CG 3.89Å; F1010-H1020 AromaticContact CE2-ND1 3.77Å; F1010-I1048 HydrophobicContact CE2-CG1 3.86Å; F1010-I1048 HydrophobicContact CZ-CG1 3.94Å; F1010-A1051 HydrophobicContact CD1-CB 3.88Å; F1010-A1051 HydrophobicContact CE1-CB 3.54Å; F1010-A1051 HydrophobicContact CZ-CB 4.47Å |
| 1011 | D | 92.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -16.6 | -177.2 | 72.9 | -22.1 | 0 | 0 | 0 | 115.5 | F949 K950 F1008 K1055 | F949-D1011 HydrophobicContact CB-CB 4.13Å; K950-D1011 WeakPolarHBondContact CA-OD2 3.41Å; K950-D1011 HydrophobicContact CB-CB 4.32Å; F1008-D1011 VanDerWaalsContact O-CG 3.29Å; D1011-K1055 VanDerWaalsContact OD1-CE 3.24Å; D1011-K1055 WeakPolarHBondContact OD1-CE 3.48Å; D1011-K1055 IonicContact OD1-NZ 2.89Å; D1011-K1055 PolarHBondContact OD1-NZ 2.88Å; D1011-K1055 IonicContact OD2-NZ 3.65Å; D1011-K1055 PolarHBondContact OD2-NZ 2.74Å |
| 1012 | Q | 88.3 | Confident | 93 | Very high | 62 Ų | 62 | 25 Ų | 25 | 29% | 0.29 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.6 | 175.4 | -67.5 | -177.4 | 18.6 | 0 | 0 | 114 | F1010 H1059 | F1010-Q1012 PolarHBondContact O-N 3.25Å; Q1012-H1059 PolarHBondContact NE2-CE1 2.87Å; Q1012-H1059 PolarHBondContact NE2-NE2 3.13Å |
| 1013 | D | 90.9 | Very high | 92.9 | Very high | 78 Ų | 78 | 25.2 Ų | 25.2 | 42% | 0.417 | 14% | 0.135 | S | C | . | . | trans | -124.5 | 88.7 | 176.5 | -172.6 | -22.1 | 0 | 0 | 0 | 109.2 | F1010 A1015 A1016 F1017 | F1010-D1013 CarbonylContact O-C 3.54Å; F1010-D1013 PolarHBondContact O-N 3.26Å; F1010-D1013 VanDerWaalsContact O-O 3.09Å; D1013-A1015 PolarHBondContact O-N 2.76Å; D1013-A1015 VanDerWaalsContact O-N 3.15Å; D1013-A1015 WeakPolarHBondContact OD1-CB 3.4Å; D1013-A1015 PolarHBondContact OD1-N 3.14Å; D1013-A1015 VanDerWaalsContact OD1-N 3.14Å; D1013-A1016 HydrophobicContact CB-CB 4Å; D1013-A1016 PolarHBondContact O-N 3.19Å; D1013-A1016 VanDerWaalsContact O-N 3.14Å; D1013-A1016 PolarHBondContact OD1-N 3.23Å; D1013-A1016 VanDerWaalsContact OD1-N 3.09Å; D1013-F1017 WeakPolarHBondContact O-CB 3.41Å; D1013-F1017 PolarHBondContact O-N 2.77Å | ||
| 1014 | V | 91.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 25 Ų | 25 | 31% | 0.309 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.5 | -29 | -176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | A946 R1018 | A946-V1014 HydrophobicContact CB-CG2 4.39Å; V1014-R1018 VanDerWaalsContact O-CB 3.24Å; V1014-R1018 WeakPolarHBondContact O-CB 3.33Å; V1014-R1018 PolarHBondContact O-N 3.37Å |
| 1015 | A | 91.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 25.6 Ų | 25.6 | 45% | 0.446 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.2 | -52.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1013 F1017 R1018 E1019 | D1013-A1015 PolarHBondContact O-N 2.76Å; D1013-A1015 VanDerWaalsContact O-N 3.15Å; D1013-A1015 WeakPolarHBondContact OD1-CB 3.4Å; D1013-A1015 PolarHBondContact OD1-N 3.14Å; D1013-A1015 VanDerWaalsContact OD1-N 3.14Å; A1015-F1017 VanDerWaalsContact C-N 3.34Å; A1015-F1017 PolarHBondContact O-N 3.12Å; A1015-R1018 PolarHBondContact O-N 3.15Å; A1015-E1019 WeakPolarHBondContact O-CG 3.49Å; A1015-E1019 PolarHBondContact O-N 3.21Å; A1015-E1019 VanDerWaalsContact O-N 3.08Å |
| 1016 | A | 92.6 | Very high | 92.5 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 20% | 0.198 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1010 D1013 R1018 E1019 H1020 | F1010-A1016 HydrophobicContact CB-CB 4.29Å; F1010-A1016 HydrophobicContact CD1-CB 3.69Å; F1010-A1016 HydrophobicContact CE1-CB 4.22Å; F1010-A1016 HydrophobicContact CG-CB 4.06Å; D1013-A1016 HydrophobicContact CB-CB 4Å; D1013-A1016 PolarHBondContact O-N 3.19Å; D1013-A1016 VanDerWaalsContact O-N 3.14Å; D1013-A1016 PolarHBondContact OD1-N 3.23Å; D1013-A1016 VanDerWaalsContact OD1-N 3.09Å; A1016-R1018 PolarHBondContact O-N 2.93Å; A1016-E1019 PolarHBondContact O-N 3.4Å; A1016-H1020 WeakPolarHBondContact O-CB 3.38Å; A1016-H1020 PolarHBondContact O-N 2.87Å |
| 1017 | F | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 175.7 | -167.2 | -75.3 | 0 | 0 | 0 | 111.6 | L945 A946 F949 L1007 F1010 D1013 A1015 E1019 H1020 V1021 | L945-F1017 HydrophobicContact CB-CE1 3.67Å; L945-F1017 HydrophobicContact CB-CZ 3.63Å; L945-F1017 HydrophobicContact CD1-CE1 4.36Å; A946-F1017 HydrophobicContact CB-CD1 4.43Å; A946-F1017 HydrophobicContact CB-CD2 3.86Å; A946-F1017 HydrophobicContact CB-CE2 4.06Å; A946-F1017 HydrophobicContact CB-CG 4.05Å; A946-F1017 HydrophobicContact CB-CZ 4.44Å; F949-F1017 HydrophobicContact CD2-CE2 4.04Å; F949-F1017 AromaticContact CD2-CZ 3.93Å; F949-F1017 HydrophobicContact CD2-CZ 3.93Å; F949-F1017 HydrophobicContact CE2-CZ 4.21Å; L1007-F1017 HydrophobicContact CB-CE2 4.03Å; L1007-F1017 HydrophobicContact CB-CZ 4.29Å; L1007-F1017 HydrophobicContact CD2-CE1 3.82Å; L1007-F1017 HydrophobicContact CD2-CE2 3.77Å; L1007-F1017 HydrophobicContact CD2-CZ 3.34Å; L1007-F1017 HydrophobicContact CG-CZ 4.37Å; L1007-F1017 VanDerWaalsContact O-CE2 3.26Å; L1007-F1017 WeakPolarHBondContact O-CE2 3.35Å; F1010-F1017 HydrophobicContact CB-CB 3.99Å; F1010-F1017 HydrophobicContact CB-CD2 4.2Å; D1013-F1017 WeakPolarHBondContact O-CB 3.41Å; D1013-F1017 PolarHBondContact O-N 2.77Å; A1015-F1017 VanDerWaalsContact C-N 3.34Å; A1015-F1017 PolarHBondContact O-N 3.12Å; F1017-E1019 VanDerWaalsContact C-N 3.35Å; F1017-E1019 PolarHBondContact O-N 2.95Å; F1017-H1020 WeakPolarHBondContact O-CB 3.29Å; F1017-H1020 PolarHBondContact O-N 3.12Å; F1017-V1021 HydrophobicContact CD1-CG2 3.86Å; F1017-V1021 HydrophobicContact CE1-CG2 3.67Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; F1017-V1021 PolarHBondContact O-N 3Å |
| 1018 | R | 94 | Very high | 92.1 | Very high | 70 Ų | 70 | 25.5 Ų | 25.5 | 26% | 0.264 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.6 | -176.5 | -171.7 | 67.5 | -164.7 | -4.3 | 112 | L938 S942 V1014 A1015 A1016 H1020 V1021 R1022 | L938-R1018 HydrophobicContact CD2-CG 4.03Å; L938-R1018 HydrophobicContact CG-CG 4.02Å; S942-R1018 WeakPolarHBondContact OG-CA 3.35Å; V1014-R1018 VanDerWaalsContact O-CB 3.24Å; V1014-R1018 WeakPolarHBondContact O-CB 3.33Å; V1014-R1018 PolarHBondContact O-N 3.37Å; A1015-R1018 PolarHBondContact O-N 3.15Å; A1016-R1018 PolarHBondContact O-N 2.93Å; R1018-H1020 VanDerWaalsContact C-N 3.35Å; R1018-V1021 PolarHBondContact O-N 2.8Å; R1018-R1022 WeakPolarHBondContact O-CB 3.45Å; R1018-R1022 PolarHBondContact O-N 3.06Å |
| 1019 | E | 91.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.3 | -68.3 | -44.7 | 125.7 | 0 | 0 | 112 | Q190 A1015 A1016 F1017 V1021 R1022 D1023 | Q190-E1019 PolarHBondContact NE2-OE2 3.43Å; A1015-E1019 WeakPolarHBondContact O-CG 3.49Å; A1015-E1019 PolarHBondContact O-N 3.21Å; A1015-E1019 VanDerWaalsContact O-N 3.08Å; A1016-E1019 PolarHBondContact O-N 3.4Å; F1017-E1019 VanDerWaalsContact C-N 3.35Å; F1017-E1019 PolarHBondContact O-N 2.95Å; E1019-V1021 PolarHBondContact O-N 3.42Å; E1019-R1022 WeakPolarHBondContact O-CA 3.31Å; E1019-R1022 WeakPolarHBondContact O-CB 3.2Å; E1019-R1022 PolarHBondContact O-N 3.08Å; E1019-R1022 VanDerWaalsContact O-N 3.08Å; E1019-R1022 IonicContact OE1-CZ 3.88Å; E1019-R1022 IonicContact OE1-NH1 3.82Å; E1019-R1022 PolarHBondContact OE1-NH1 3.26Å; E1019-R1022 IonicContact OE1-NH2 3.67Å; E1019-R1022 IonicContact OE2-CZ 3.3Å; E1019-R1022 IonicContact OE2-NH1 2.73Å; E1019-R1022 PolarHBondContact OE2-NH1 3.38Å; E1019-D1023 PolarHBondContact O-N 3.18Å |
| 1020 | H | 94.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.2 | -170.7 | 69.7 | 0 | 0 | 0 | 112.6 | F1003 F1010 A1016 F1017 R1018 R1022 D1023 F1024 R1044 | F1003-H1020 WeakPolarHBondContact CA-NE2 3.42Å; F1003-H1020 AromaticContact CD2-CD2 3.71Å; F1003-H1020 AromaticContact CD2-NE2 3.48Å; F1003-H1020 WeakPolarHBondContact CD2-NE2 3.44Å; F1003-H1020 PolarHBondContact O-NE2 2.9Å; F1010-H1020 HydrophobicContact CD2-CB 3.87Å; F1010-H1020 AromaticContact CD2-CG 3.87Å; F1010-H1020 HydrophobicContact CE2-CB 4.1Å; F1010-H1020 AromaticContact CE2-CG 3.89Å; F1010-H1020 AromaticContact CE2-ND1 3.77Å; A1016-H1020 WeakPolarHBondContact O-CB 3.38Å; A1016-H1020 PolarHBondContact O-N 2.87Å; F1017-H1020 WeakPolarHBondContact O-CB 3.29Å; F1017-H1020 PolarHBondContact O-N 3.12Å; R1018-H1020 VanDerWaalsContact C-N 3.35Å; H1020-R1022 VanDerWaalsContact C-N 3.34Å; H1020-D1023 PolarHBondContact O-N 2.88Å; H1020-F1024 PolarHBondContact O-N 3.3Å; H1020-F1024 VanDerWaalsContact O-N 3.16Å; H1020-R1044 PolarHBondContact ND1-NH2 3.4Å |
| 1021 | V | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 170.2 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | I929 L938 F1003 L1007 F1017 R1018 E1019 D1023 F1024 L1025 | I929-V1021 HydrophobicContact CD1-CB 4.42Å; I929-V1021 HydrophobicContact CD1-CG1 3.5Å; I929-V1021 HydrophobicContact CD1-CG2 4.15Å; I929-V1021 HydrophobicContact CG1-CG1 3.73Å; L938-V1021 HydrophobicContact CD1-CG1 3.87Å; F1003-V1021 HydrophobicContact CE2-CG2 4.48Å; L1007-V1021 HydrophobicContact CD2-CG2 4.22Å; F1017-V1021 HydrophobicContact CD1-CG2 3.86Å; F1017-V1021 HydrophobicContact CE1-CG2 3.67Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; F1017-V1021 PolarHBondContact O-N 3Å; R1018-V1021 PolarHBondContact O-N 2.8Å; E1019-V1021 PolarHBondContact O-N 3.42Å; V1021-D1023 VanDerWaalsContact C-N 3.32Å; V1021-D1023 PolarHBondContact O-N 3.29Å; V1021-F1024 WeakPolarHBondContact O-CB 3.46Å; V1021-F1024 PolarHBondContact O-N 2.99Å; V1021-F1024 VanDerWaalsContact O-N 3.11Å; V1021-L1025 HydrophobicContact CG1-CD1 4.22Å; V1021-L1025 HydrophobicContact CG1-CG 4.21Å; V1021-L1025 WeakPolarHBondContact O-CG 3.28Å; V1021-L1025 PolarHBondContact O-N 3.02Å |
| 1022 | R | 91.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 179.1 | -170.7 | 177.2 | -62.1 | 131.2 | 5.6 | 111.9 | R1018 E1019 H1020 F1024 L1025 V1026 | R1018-R1022 WeakPolarHBondContact O-CB 3.45Å; R1018-R1022 PolarHBondContact O-N 3.06Å; E1019-R1022 WeakPolarHBondContact O-CA 3.31Å; E1019-R1022 WeakPolarHBondContact O-CB 3.2Å; E1019-R1022 PolarHBondContact O-N 3.08Å; E1019-R1022 VanDerWaalsContact O-N 3.08Å; E1019-R1022 IonicContact OE1-CZ 3.88Å; E1019-R1022 IonicContact OE1-NH1 3.82Å; E1019-R1022 PolarHBondContact OE1-NH1 3.26Å; E1019-R1022 IonicContact OE1-NH2 3.67Å; E1019-R1022 IonicContact OE2-CZ 3.3Å; E1019-R1022 IonicContact OE2-NH1 2.73Å; E1019-R1022 PolarHBondContact OE2-NH1 3.38Å; H1020-R1022 VanDerWaalsContact C-N 3.34Å; R1022-F1024 VanDerWaalsContact C-N 3.31Å; R1022-F1024 PolarHBondContact O-N 2.85Å; R1022-L1025 PolarHBondContact O-N 3.11Å; R1022-V1026 WeakPolarHBondContact O-CG2 3.4Å; R1022-V1026 PolarHBondContact O-N 3.22Å; R1022-V1026 VanDerWaalsContact O-N 3.07Å |
| 1023 | D | 91.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 172.9 | -70.5 | -28.9 | 0 | 0 | 0 | 111.2 | T189 Q190 E1019 H1020 V1021 L1025 V1026 Q1027 R1044 | T189-D1023 VanDerWaalsContact CA-OD1 3.25Å; T189-D1023 WeakPolarHBondContact CA-OD1 3.23Å; T189-D1023 HydrophobicContact CG2-CB 4.2Å; Q190-D1023 WeakPolarHBondContact CG-OD1 3.46Å; Q190-D1023 PolarHBondContact N-OD1 3.09Å; E1019-D1023 PolarHBondContact O-N 3.18Å; H1020-D1023 PolarHBondContact O-N 2.88Å; V1021-D1023 VanDerWaalsContact C-N 3.32Å; V1021-D1023 PolarHBondContact O-N 3.29Å; D1023-L1025 PolarHBondContact O-N 2.92Å; D1023-V1026 WeakPolarHBondContact O-CB 3.22Å; D1023-V1026 PolarHBondContact O-N 3.38Å; D1023-Q1027 WeakPolarHBondContact O-CG 3.24Å; D1023-Q1027 PolarHBondContact O-N 3.31Å; D1023-R1044 IonicContact OD2-CZ 2.72Å; D1023-R1044 IonicContact OD2-NE 2.59Å; D1023-R1044 IonicContact OD2-NH2 2.58Å; D1023-R1044 PolarHBondContact OD2-NH2 3.32Å |
| 1024 | F | 93.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 176.8 | -173.7 | -106.3 | 0 | 0 | 0 | 112.1 | T930 L988 L995 F1003 H1020 V1021 R1022 V1026 Q1027 I1028 | T930-F1024 HydrophobicContact CG2-CE1 4.31Å; L988-F1024 HydrophobicContact CD1-CZ 4.1Å; L988-F1024 HydrophobicContact CD2-CE1 4.18Å; L988-F1024 HydrophobicContact CD2-CZ 4Å; L995-F1024 HydrophobicContact CD1-CE2 3.74Å; L995-F1024 HydrophobicContact CD1-CZ 3.78Å; F1003-F1024 HydrophobicContact CB-CD2 3.81Å; F1003-F1024 HydrophobicContact CB-CE2 4.16Å; F1003-F1024 HydrophobicContact CD1-CD1 4.19Å; F1003-F1024 AromaticContact CD1-CD2 3.66Å; F1003-F1024 HydrophobicContact CD1-CD2 3.66Å; F1003-F1024 HydrophobicContact CD1-CE1 4.2Å; F1003-F1024 AromaticContact CD1-CE2 3.67Å; F1003-F1024 HydrophobicContact CD1-CE2 3.67Å; F1003-F1024 AromaticContact CD1-CG 3.93Å; F1003-F1024 HydrophobicContact CD1-CG 3.93Å; F1003-F1024 AromaticContact CD1-CZ 3.96Å; F1003-F1024 HydrophobicContact CD1-CZ 3.96Å; F1003-F1024 HydrophobicContact CD2-CB 3.49Å; F1003-F1024 VanDerWaalsContact CD2-CB 3.49Å; F1003-F1024 HydrophobicContact CD2-CD1 4.36Å; F1003-F1024 AromaticContact CD2-CD2 3.69Å; F1003-F1024 HydrophobicContact CD2-CD2 3.69Å; F1003-F1024 AromaticContact CD2-CG 3.59Å; F1003-F1024 HydrophobicContact CD2-CG 3.59Å; F1003-F1024 AromaticContact CE1-CD1 3.75Å; F1003-F1024 HydrophobicContact CE1-CD1 3.75Å; F1003-F1024 HydrophobicContact CE1-CD2 4.08Å; F1003-F1024 AromaticContact CE1-CE1 3.82Å; F1003-F1024 HydrophobicContact CE1-CE1 3.82Å; F1003-F1024 HydrophobicContact CE1-CE2 4.15Å; F1003-F1024 AromaticContact CE1-CG 3.89Å; F1003-F1024 HydrophobicContact CE1-CG 3.89Å; F1003-F1024 HydrophobicContact CE1-CZ 4.03Å; F1003-F1024 HydrophobicContact CE2-CB 3.4Å; F1003-F1024 AromaticContact CE2-CD1 3.96Å; F1003-F1024 HydrophobicContact CE2-CD1 3.96Å; F1003-F1024 HydrophobicContact CE2-CD2 4.13Å; F1003-F1024 AromaticContact CE2-CG 3.57Å; F1003-F1024 HydrophobicContact CE2-CG 3.57Å; F1003-F1024 HydrophobicContact CG-CB 4.16Å; F1003-F1024 HydrophobicContact CG-CD1 4.46Å; F1003-F1024 AromaticContact CG-CD2 3.42Å; F1003-F1024 HydrophobicContact CG-CD2 3.42Å; F1003-F1024 VanDerWaalsContact CG-CD2 3.42Å; F1003-F1024 AromaticContact CG-CE2 3.86Å; F1003-F1024 HydrophobicContact CG-CE2 3.86Å; F1003-F1024 AromaticContact CG-CG 3.77Å; F1003-F1024 HydrophobicContact CG-CG 3.77Å; F1003-F1024 HydrophobicContact CZ-CB 4Å; F1003-F1024 AromaticContact CZ-CD1 3.62Å; F1003-F1024 HydrophobicContact CZ-CD1 3.62Å; F1003-F1024 HydrophobicContact CZ-CD2 4.3Å; F1003-F1024 HydrophobicContact CZ-CE1 4.16Å; F1003-F1024 AromaticContact CZ-CG 3.71Å; F1003-F1024 HydrophobicContact CZ-CG 3.71Å; H1020-F1024 PolarHBondContact O-N 3.3Å; H1020-F1024 VanDerWaalsContact O-N 3.16Å; V1021-F1024 WeakPolarHBondContact O-CB 3.46Å; V1021-F1024 PolarHBondContact O-N 2.99Å; V1021-F1024 VanDerWaalsContact O-N 3.11Å; R1022-F1024 VanDerWaalsContact C-N 3.31Å; R1022-F1024 PolarHBondContact O-N 2.85Å; F1024-V1026 PolarHBondContact O-N 2.98Å; F1024-Q1027 PolarHBondContact O-N 2.89Å; F1024-I1028 HydrophobicContact CD1-CG2 3.95Å; F1024-I1028 HydrophobicContact CD2-CG2 4.48Å; F1024-I1028 HydrophobicContact CE1-CG2 3.55Å; F1024-I1028 HydrophobicContact CE2-CG2 4.15Å; F1024-I1028 HydrophobicContact CG-CG2 4.39Å; F1024-I1028 HydrophobicContact CZ-CG2 3.66Å; F1024-I1028 WeakPolarHBondContact O-CG2 3.47Å; F1024-I1028 PolarHBondContact O-N 3.12Å |
| 1025 | L | 92 | Very high | 87.1 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -22.9 | 176 | -65.7 | -176.9 | 0 | 0 | 0 | 113.9 | I929 T930 L938 V1021 R1022 D1023 I1028 R1029 | I929-L1025 WeakPolarHBondContact O-CD2 3.35Å; T930-L1025 HydrophobicContact CG2-CD2 4.2Å; L938-L1025 HydrophobicContact CD1-CD1 4.27Å; V1021-L1025 HydrophobicContact CG1-CD1 4.22Å; V1021-L1025 HydrophobicContact CG1-CG 4.21Å; V1021-L1025 WeakPolarHBondContact O-CG 3.28Å; V1021-L1025 PolarHBondContact O-N 3.02Å; R1022-L1025 PolarHBondContact O-N 3.11Å; D1023-L1025 PolarHBondContact O-N 2.92Å; L1025-I1028 HydrophobicContact CD2-CD1 3.88Å; L1025-I1028 WeakPolarHBondContact O-CG1 3.37Å; L1025-R1029 WeakPolarHBondContact O-CD 3.26Å; L1025-R1029 VanDerWaalsContact O-CG 3.23Å; L1025-R1029 WeakPolarHBondContact O-CG 3.47Å; L1025-R1029 PolarHBondContact O-NE 2.9Å |
| 1026 | V | 89.7 | Confident | 86.4 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.1 | -50.5 | 167.8 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | G186 T189 R1022 D1023 F1024 I1028 R1029 | G186-V1026 WeakPolarHBondContact O-CG2 3.49Å; T189-V1026 HydrophobicContact CG2-CG1 4.39Å; R1022-V1026 WeakPolarHBondContact O-CG2 3.4Å; R1022-V1026 PolarHBondContact O-N 3.22Å; R1022-V1026 VanDerWaalsContact O-N 3.07Å; D1023-V1026 WeakPolarHBondContact O-CB 3.22Å; D1023-V1026 PolarHBondContact O-N 3.38Å; F1024-V1026 PolarHBondContact O-N 2.98Å; V1026-I1028 VanDerWaalsContact C-N 3.32Å; V1026-I1028 PolarHBondContact O-N 3.5Å; V1026-R1029 WeakPolarHBondContact O-CB 3.19Å; V1026-R1029 PolarHBondContact O-N 2.98Å |
| 1027 | Q | 90.8 | Very high | 85.4 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.1 | -38.6 | -177.6 | -71.1 | -178.4 | 52.3 | 0 | 0 | 113.4 | T189 D1023 F1024 R1029 E1030 L1039 | T189-Q1027 HydrophobicContact CG2-CG 3.97Å; D1023-Q1027 WeakPolarHBondContact O-CG 3.24Å; D1023-Q1027 PolarHBondContact O-N 3.31Å; F1024-Q1027 PolarHBondContact O-N 2.89Å; Q1027-R1029 PolarHBondContact O-N 2.91Å; Q1027-R1029 VanDerWaalsContact O-N 3.09Å; Q1027-E1030 PolarHBondContact O-N 2.89Å; Q1027-L1039 HydrophobicContact CG-CD2 4.26Å |
| 1028 | I | 91.6 | Very high | 84.3 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.108 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.5 | 178.3 | 68 | 177.5 | 0 | 0 | 0 | 113.6 | T930 F992 H994 L995 F1024 L1025 V1026 | T930-I1028 HydrophobicContact CG2-CD1 4.3Å; F992-I1028 HydrophobicContact CD1-CB 4.18Å; F992-I1028 HydrophobicContact CD1-CG2 4.36Å; F992-I1028 HydrophobicContact CD2-CG2 4.2Å; F992-I1028 HydrophobicContact CE1-CB 4.21Å; F992-I1028 HydrophobicContact CE1-CD1 4.15Å; F992-I1028 HydrophobicContact CE1-CG2 4.44Å; F992-I1028 HydrophobicContact CE2-CG2 4.29Å; F992-I1028 HydrophobicContact CG-CG2 4.23Å; F992-I1028 HydrophobicContact CZ-CD1 4.06Å; F992-I1028 HydrophobicContact CZ-CG2 4.42Å; H994-I1028 PolarHBondContact NE2-O 3.34Å; L995-I1028 HydrophobicContact CD1-CG2 4.02Å; F1024-I1028 HydrophobicContact CD1-CG2 3.95Å; F1024-I1028 HydrophobicContact CD2-CG2 4.48Å; F1024-I1028 HydrophobicContact CE1-CG2 3.55Å; F1024-I1028 HydrophobicContact CE2-CG2 4.15Å; F1024-I1028 HydrophobicContact CG-CG2 4.39Å; F1024-I1028 HydrophobicContact CZ-CG2 3.66Å; F1024-I1028 WeakPolarHBondContact O-CG2 3.47Å; F1024-I1028 PolarHBondContact O-N 3.12Å; L1025-I1028 HydrophobicContact CD2-CD1 3.88Å; L1025-I1028 WeakPolarHBondContact O-CG1 3.37Å; V1026-I1028 VanDerWaalsContact C-N 3.32Å; V1026-I1028 PolarHBondContact O-N 3.5Å |
| 1029 | R | 86.2 | Confident | 83.5 | Confident | 76 Ų | 76 | 35 Ų | 35 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -20.7 | 179.4 | -49.7 | -179.4 | 178.7 | 179.7 | -3.8 | 112.8 | R932 L1025 V1026 Q1027 | R932-R1029 VanDerWaalsContact NH2-CG 3.27Å; L1025-R1029 WeakPolarHBondContact O-CD 3.26Å; L1025-R1029 VanDerWaalsContact O-CG 3.23Å; L1025-R1029 WeakPolarHBondContact O-CG 3.47Å; L1025-R1029 PolarHBondContact O-NE 2.9Å; V1026-R1029 WeakPolarHBondContact O-CB 3.19Å; V1026-R1029 PolarHBondContact O-N 2.98Å; Q1027-R1029 PolarHBondContact O-N 2.91Å; Q1027-R1029 VanDerWaalsContact O-N 3.09Å |
| 1030 | E | 84 | Confident | 83 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -107 | 133.6 | -178.1 | -58.2 | -171.5 | -170 | 0 | 0 | 110 | K94 H142 Q1027 A1032 | K94-E1030 IonicContact NZ-OE2 2.8Å; H142-E1030 IonicContact CE1-OE2 2.83Å; Q1027-E1030 PolarHBondContact O-N 2.89Å; E1030-A1032 PolarHBondContact O-N 2.69Å |
| 1031 | V | 82.7 | Confident | 82.3 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | trans | -82.7 | 111.4 | 169 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | T91 R92 V95 H994 | T91-V1031 PolarHBondContact O-N 3.07Å; R92-V1031 HydrophobicContact CG-CG2 4.27Å; V95-V1031 HydrophobicContact CG2-CB 3.83Å; V95-V1031 HydrophobicContact CG2-CG1 3.34Å; H994-V1031 HydrophobicContact CB-CG1 4.1Å; H994-V1031 HydrophobicContact CB-CG2 4.29Å | ||
| 1032 | A | 76.2 | Confident | 81.7 | Confident | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | trans | -70.8 | 137 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1030 L1036 | E1030-A1032 PolarHBondContact O-N 2.69Å; A1032-L1036 HydrophobicContact CB-CD2 3.71Å | ||
| 1033 | G | 68.7 | Low | 81.3 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | trans | -75.9 | -169.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K94 Q996 D1035 | K94-G1033 WeakPolarHBondContact O-CA 3.4Å; Q996-G1033 PolarHBondContact NE2-O 3.25Å; G1033-D1035 PolarHBondContact O-N 2.98Å | ||
| 1034 | E | 67.9 | Low | 81 | Confident | 191 Ų | 191 | 46 Ų | 46 | 89% | 0.893 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -63.1 | -32.4 | 176.2 | -67.1 | -178.8 | 172.5 | 0 | 0 | 112.5 | Q996 | Q996-E1034 PolarHBondContact NE2-O 2.86Š|
| 1035 | D | 70.5 | Confident | 80.6 | Confident | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | trans | -83.1 | 116.6 | 177.8 | -176.3 | 6.1 | 0 | 0 | 0 | 111.3 | G1033 S1037 | G1033-D1035 PolarHBondContact O-N 2.98Å; D1035-S1037 VanDerWaalsContact CG-OG 3.29Å; D1035-S1037 WeakPolarHBondContact OD1-CB 3.36Å; D1035-S1037 PolarHBondContact OD1-N 2.9Å; D1035-S1037 PolarHBondContact OD1-OG 2.78Å; D1035-S1037 PolarHBondContact OD2-OG 3.22Å | ||
| 1036 | L | 75.7 | Confident | 80.2 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | trans | -104.6 | 7.2 | 178.1 | -61.6 | 178.6 | 0 | 0 | 0 | 113.4 | Q996 T998 Q999 A1032 D1038 L1039 L1041 | Q996-L1036 HydrophobicContact CB-CD1 4.07Å; Q996-L1036 HydrophobicContact CB-CD2 4.47Å; Q996-L1036 HydrophobicContact CG-CD1 4.27Å; Q996-L1036 HydrophobicContact CG-CD2 4.05Å; T998-L1036 WeakPolarHBondContact OG1-CD1 3.45Å; Q999-L1036 HydrophobicContact CG-CD1 4.44Å; Q999-L1036 HydrophobicContact CG-CD2 4.26Å; A1032-L1036 HydrophobicContact CB-CD2 3.71Å; L1036-D1038 PolarHBondContact O-N 3.47Å; L1036-D1038 VanDerWaalsContact O-N 3.15Å; L1036-L1039 HydrophobicContact CB-CD1 4.47Å; L1036-L1039 HydrophobicContact CD2-CD1 3.77Å; L1036-L1039 WeakPolarHBondContact O-CB 3.4Å; L1036-L1039 PolarHBondContact O-N 3.2Å; L1036-L1041 HydrophobicContact CB-CD1 4.31Å; L1036-L1041 HydrophobicContact CD1-CD1 3.87Å | ||
| 1037 | S | 73.1 | Confident | 80 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -55.9 | -34.5 | -173.9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | D1035 L1039 Y1040 | D1035-S1037 VanDerWaalsContact CG-OG 3.29Å; D1035-S1037 WeakPolarHBondContact OD1-CB 3.36Å; D1035-S1037 PolarHBondContact OD1-N 2.9Å; D1035-S1037 PolarHBondContact OD1-OG 2.78Å; D1035-S1037 PolarHBondContact OD2-OG 3.22Å; S1037-L1039 VanDerWaalsContact C-N 3.27Å; S1037-L1039 PolarHBondContact O-N 3.48Å; S1037-Y1040 PolarHBondContact O-N 3.46Å |
| 1038 | D | 72 | Confident | 79.8 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -77.8 | -7.9 | -178.5 | 82.3 | -42.5 | 0 | 0 | 0 | 114.6 | K94 K192 L1036 Y1040 | K94-D1038 VanDerWaalsContact CE-CG 3.49Å; K94-D1038 WeakPolarHBondContact CE-OD1 3.37Å; K94-D1038 WeakPolarHBondContact CE-OD2 3.4Å; K94-D1038 IonicContact NZ-OD1 2.68Å; K94-D1038 PolarHBondContact NZ-OD1 3.15Å; K94-D1038 IonicContact NZ-OD2 3.79Å; K94-D1038 PolarHBondContact NZ-OD2 2.76Å; K192-D1038 IonicContact NZ-OD2 2.89Å; L1036-D1038 PolarHBondContact O-N 3.47Å; L1036-D1038 VanDerWaalsContact O-N 3.15Å; D1038-Y1040 VanDerWaalsContact C-N 3.32Å; D1038-Y1040 WeakPolarHBondContact O-CD2 3.13Å; D1038-Y1040 VanDerWaalsContact O-CE2 3.28Å; D1038-Y1040 WeakPolarHBondContact O-CE2 3.32Å |
| 1039 | L | 77.2 | Confident | 79.5 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -84.3 | -12.3 | 170.4 | -62.6 | -178 | 0 | 0 | 0 | 112.1 | Q999 Q1027 L1036 S1037 L1041 | Q999-L1039 HydrophobicContact CG-CD1 3.68Å; Q999-L1039 VanDerWaalsContact NE2-CD1 3.34Å; Q1027-L1039 HydrophobicContact CG-CD2 4.26Å; L1036-L1039 HydrophobicContact CB-CD1 4.47Å; L1036-L1039 HydrophobicContact CD2-CD1 3.77Å; L1036-L1039 WeakPolarHBondContact O-CB 3.4Å; L1036-L1039 PolarHBondContact O-N 3.2Å; S1037-L1039 VanDerWaalsContact C-N 3.27Å; S1037-L1039 PolarHBondContact O-N 3.48Å; L1039-L1041 HydrophobicContact CB-CD2 4.01Å; L1039-L1041 HydrophobicContact CB-CG 3.9Å; L1039-L1041 PolarHBondContact O-N 2.84Å |
| 1040 | Y | 79.7 | Confident | 79.5 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 42.1 | 179.6 | -57.6 | -84.3 | 0 | 0 | 0 | 112.7 | T191 H195 S1037 D1038 E1042 E1043 R1044 | T191-Y1040 HydrophobicContact CG2-CD2 4.08Å; T191-Y1040 HydrophobicContact CG2-CG 3.78Å; H195-Y1040 HydrophobicContact CB-CE2 4.07Å; H195-Y1040 WeakPolarHBondContact CB-OH 3.23Å; H195-Y1040 AromaticContact CD2-CD1 3.47Å; H195-Y1040 VanDerWaalsContact CD2-CD1 3.47Å; H195-Y1040 WeakPolarHBondContact CD2-CD1 3.5Å; H195-Y1040 AromaticContact CD2-CD2 3.65Å; H195-Y1040 AromaticContact CD2-CE1 3.26Å; H195-Y1040 WeakPolarHBondContact CD2-CE1 3.47Å; H195-Y1040 AromaticContact CD2-CE2 3.46Å; H195-Y1040 VanDerWaalsContact CD2-CE2 3.46Å; H195-Y1040 WeakPolarHBondContact CD2-CE2 3.22Å; H195-Y1040 AromaticContact CD2-CG 3.66Å; H195-Y1040 AromaticContact CD2-CZ 3.24Å; H195-Y1040 AromaticContact CE1-CD1 3.85Å; H195-Y1040 AromaticContact CE1-CE1 3.44Å; H195-Y1040 VanDerWaalsContact CE1-CE1 3.44Å; H195-Y1040 WeakPolarHBondContact CE1-CE1 3.31Å; H195-Y1040 AromaticContact CG-CE1 3.59Å; H195-Y1040 AromaticContact CG-CE2 3.84Å; H195-Y1040 AromaticContact CG-CZ 3.33Å; H195-Y1040 AromaticContact ND1-CE1 3.7Å; H195-Y1040 AromaticContact ND1-CZ 3.84Å; H195-Y1040 AromaticContact NE2-CD1 3.19Å; H195-Y1040 WeakPolarHBondContact NE2-CD1 2.94Å; H195-Y1040 AromaticContact NE2-CE1 3.19Å; H195-Y1040 WeakPolarHBondContact NE2-CE1 3.33Å; H195-Y1040 AromaticContact NE2-CG 3.73Å; H195-Y1040 AromaticContact NE2-CZ 3.72Å; S1037-Y1040 PolarHBondContact O-N 3.46Å; D1038-Y1040 VanDerWaalsContact C-N 3.32Å; D1038-Y1040 WeakPolarHBondContact O-CD2 3.13Å; D1038-Y1040 VanDerWaalsContact O-CE2 3.28Å; D1038-Y1040 WeakPolarHBondContact O-CE2 3.32Å; Y1040-E1042 VanDerWaalsContact C-N 3.25Å; Y1040-E1042 PolarHBondContact O-N 3.07Å; Y1040-E1043 PolarHBondContact O-N 3.22Å; Y1040-E1043 VanDerWaalsContact O-N 3.15Å; Y1040-R1044 PolarHBondContact O-N 2.96Å |
| 1041 | L | 80.5 | Confident | 79.6 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -34.7 | -175.2 | -66 | -179.6 | 0 | 0 | 0 | 112.3 | Q999 V1002 L1036 L1039 R1044 E1045 | Q999-L1041 HydrophobicContact CG-CD1 4.23Å; V1002-L1041 HydrophobicContact CB-CD2 4.31Å; V1002-L1041 HydrophobicContact CG1-CD2 4.18Å; V1002-L1041 HydrophobicContact CG2-CB 4.37Å; V1002-L1041 HydrophobicContact CG2-CD2 4.36Å; L1036-L1041 HydrophobicContact CB-CD1 4.31Å; L1036-L1041 HydrophobicContact CD1-CD1 3.87Å; L1039-L1041 HydrophobicContact CB-CD2 4.01Å; L1039-L1041 HydrophobicContact CB-CG 3.9Å; L1039-L1041 PolarHBondContact O-N 2.84Å; L1041-R1044 CarbonylContact O-C 3.53Å; L1041-R1044 PolarHBondContact O-N 2.99Å; L1041-E1045 WeakPolarHBondContact O-CB 3.37Å; L1041-E1045 VanDerWaalsContact O-CG 3.28Å; L1041-E1045 WeakPolarHBondContact O-CG 3.48Å; L1041-E1045 PolarHBondContact O-N 3.25Å |
| 1042 | E | 80.6 | Confident | 79.6 | Confident | 165 Ų | 165 | 60.1 Ų | 60.1 | 77% | 0.771 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 176.5 | -66.2 | -177.9 | 177.1 | 0 | 0 | 112.5 | Y1040 R1044 E1045 A1046 | Y1040-E1042 VanDerWaalsContact C-N 3.25Å; Y1040-E1042 PolarHBondContact O-N 3.07Å; E1042-R1044 VanDerWaalsContact C-N 3.31Å; E1042-E1045 PolarHBondContact O-N 2.83Å; E1042-A1046 PolarHBondContact O-N 3.3Å |
| 1043 | E | 83.6 | Confident | 80 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 174.9 | -67.2 | -179.4 | -163.4 | 0 | 0 | 110.5 | T191 H195 Y1040 A1046 E1047 | T191-E1043 HydrophobicContact CG2-CB 4.3Å; T191-E1043 VanDerWaalsContact CG2-OE2 3.23Å; T191-E1043 WeakPolarHBondContact CG2-OE2 3.34Å; H195-E1043 IonicContact CD2-OE2 2.81Å; H195-E1043 IonicContact CE1-OE1 3.81Å; H195-E1043 PolarHBondContact CE1-OE1 2.89Å; H195-E1043 VanDerWaalsContact CE1-OE1 3.3Å; H195-E1043 IonicContact CE1-OE2 3.9Å; H195-E1043 VanDerWaalsContact NE2-CD 3.34Å; H195-E1043 IonicContact NE2-OE1 3.44Å; H195-E1043 PolarHBondContact NE2-OE1 3.36Å; H195-E1043 IonicContact NE2-OE2 2.82Å; H195-E1043 PolarHBondContact NE2-OE2 3.1Å; Y1040-E1043 PolarHBondContact O-N 3.22Å; Y1040-E1043 VanDerWaalsContact O-N 3.15Å; E1043-A1046 WeakPolarHBondContact O-CB 3.29Å; E1043-A1046 PolarHBondContact O-N 3.38Å; E1043-E1047 PolarHBondContact O-N 3.33Å |
| 1044 | R | 84.2 | Confident | 80.7 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.8 | -163.7 | 55.3 | 157.4 | 162.2 | -6 | 111.9 | V1002 H1020 D1023 Y1040 L1041 E1042 A1046 E1047 I1048 | V1002-R1044 HydrophobicContact CG1-CB 4.3Å; V1002-R1044 HydrophobicContact CG1-CG 4.07Å; H1020-R1044 PolarHBondContact ND1-NH2 3.4Å; D1023-R1044 IonicContact OD2-CZ 2.72Å; D1023-R1044 IonicContact OD2-NE 2.59Å; D1023-R1044 IonicContact OD2-NH2 2.58Å; D1023-R1044 PolarHBondContact OD2-NH2 3.32Å; Y1040-R1044 PolarHBondContact O-N 2.96Å; L1041-R1044 CarbonylContact O-C 3.53Å; L1041-R1044 PolarHBondContact O-N 2.99Å; E1042-R1044 VanDerWaalsContact C-N 3.31Å; R1044-A1046 VanDerWaalsContact C-N 3.29Å; R1044-A1046 PolarHBondContact O-N 3.21Å; R1044-E1047 WeakPolarHBondContact CD-OE2 3.33Å; R1044-E1047 IonicContact CZ-OE2 3.86Å; R1044-E1047 IonicContact NE-OE2 2.66Å; R1044-E1047 IonicContact NH1-OE2 2.83Å; R1044-E1047 PolarHBondContact NH1-OE2 3.24Å; R1044-E1047 PolarHBondContact O-N 3.21Å; R1044-I1048 HydrophobicContact CG-CD1 4.14Å; R1044-I1048 WeakPolarHBondContact O-CB 3.35Å; R1044-I1048 WeakPolarHBondContact O-CD1 3.44Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.47Å; R1044-I1048 PolarHBondContact O-N 3.2Å |
| 1045 | E | 84.9 | Confident | 81.3 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 172.5 | -77.7 | 177.9 | 169.7 | 0 | 0 | 111.1 | R1001 V1002 L1041 E1042 I1048 A1049 | R1001-E1045 IonicContact CZ-OE1 3.79Å; R1001-E1045 IonicContact NE-OE1 3.88Å; R1001-E1045 IonicContact NH2-OE1 2.87Å; R1001-E1045 PolarHBondContact NH2-OE1 3.05Å; V1002-E1045 HydrophobicContact CG1-CG 4.39Å; V1002-E1045 HydrophobicContact CG2-CG 3.62Å; V1002-E1045 WeakPolarHBondContact CG2-OE1 3.28Å; L1041-E1045 WeakPolarHBondContact O-CB 3.37Å; L1041-E1045 VanDerWaalsContact O-CG 3.28Å; L1041-E1045 WeakPolarHBondContact O-CG 3.48Å; L1041-E1045 PolarHBondContact O-N 3.25Å; E1042-E1045 PolarHBondContact O-N 2.83Å; E1045-I1048 PolarHBondContact O-N 3.29Å; E1045-A1049 WeakPolarHBondContact O-CB 3.31Å; E1045-A1049 PolarHBondContact O-N 3.37Å |
| 1046 | A | 85.5 | Confident | 81.6 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1042 E1043 R1044 A1049 Q1050 | E1042-A1046 PolarHBondContact O-N 3.3Å; E1043-A1046 WeakPolarHBondContact O-CB 3.29Å; E1043-A1046 PolarHBondContact O-N 3.38Å; R1044-A1046 VanDerWaalsContact C-N 3.29Å; R1044-A1046 PolarHBondContact O-N 3.21Å; A1046-A1049 PolarHBondContact O-N 3.06Å; A1046-Q1050 WeakPolarHBondContact O-CB 3.36Å; A1046-Q1050 PolarHBondContact O-N 3.34Å |
| 1047 | E | 85.2 | Confident | 81.6 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.8 | -72.8 | 178.5 | 173.8 | 0 | 0 | 112 | E1043 R1044 Q1050 A1051 | E1043-E1047 PolarHBondContact O-N 3.33Å; R1044-E1047 WeakPolarHBondContact CD-OE2 3.33Å; R1044-E1047 IonicContact CZ-OE2 3.86Å; R1044-E1047 IonicContact NE-OE2 2.66Å; R1044-E1047 IonicContact NH1-OE2 2.83Å; R1044-E1047 PolarHBondContact NH1-OE2 3.24Å; R1044-E1047 PolarHBondContact O-N 3.21Å; E1047-Q1050 PolarHBondContact O-N 3.13Å; E1047-A1051 WeakPolarHBondContact O-CB 3.35Å; E1047-A1051 PolarHBondContact O-N 3.48Å |
| 1048 | I | 84.9 | Confident | 81.6 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 175.4 | -71.7 | 168 | 0 | 0 | 0 | 109.7 | V1002 D1005 S1009 F1010 R1044 E1045 Q1050 A1051 Q1052 | V1002-I1048 HydrophobicContact CG1-CD1 3.84Å; V1002-I1048 WeakPolarHBondContact O-CD1 3.17Å; D1005-I1048 HydrophobicContact CB-CG2 4.25Å; S1009-I1048 VanDerWaalsContact OG-CG2 3.25Å; S1009-I1048 WeakPolarHBondContact OG-CG2 3.45Å; F1010-I1048 HydrophobicContact CE2-CG1 3.86Å; F1010-I1048 HydrophobicContact CZ-CG1 3.94Å; R1044-I1048 HydrophobicContact CG-CD1 4.14Å; R1044-I1048 WeakPolarHBondContact O-CB 3.35Å; R1044-I1048 WeakPolarHBondContact O-CD1 3.44Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.47Å; R1044-I1048 PolarHBondContact O-N 3.2Å; E1045-I1048 PolarHBondContact O-N 3.29Å; I1048-Q1050 VanDerWaalsContact C-N 3.32Å; I1048-Q1050 PolarHBondContact O-N 3.42Å; I1048-A1051 PolarHBondContact O-N 2.98Å; I1048-Q1052 WeakPolarHBondContact O-CB 3.46Å; I1048-Q1052 PolarHBondContact O-N 3.22Å |
| 1049 | A | 85.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1045 A1046 A1053 | E1045-A1049 WeakPolarHBondContact O-CB 3.31Å; E1045-A1049 PolarHBondContact O-N 3.37Å; A1046-A1049 PolarHBondContact O-N 3.06Å; A1049-A1053 WeakPolarHBondContact O-CB 3.41Å; A1049-A1053 PolarHBondContact O-N 3.22Å |
| 1050 | Q | 86.7 | Confident | 80.9 | Confident | 135 Ų | 135 | 67 Ų | 67 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 175.2 | -175.8 | 179.6 | -0.1 | 0 | 0 | 111.9 | A1046 E1047 I1048 A1053 A1054 | A1046-Q1050 WeakPolarHBondContact O-CB 3.36Å; A1046-Q1050 PolarHBondContact O-N 3.34Å; E1047-Q1050 PolarHBondContact O-N 3.13Å; I1048-Q1050 VanDerWaalsContact C-N 3.32Å; I1048-Q1050 PolarHBondContact O-N 3.42Å; Q1050-A1053 PolarHBondContact O-N 3.12Å; Q1050-A1054 WeakPolarHBondContact O-CB 3.43Å; Q1050-A1054 PolarHBondContact O-N 2.56Å |
| 1051 | A | 85.6 | Confident | 80.2 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1010 E1047 I1048 A1054 K1055 | F1010-A1051 HydrophobicContact CD1-CB 3.88Å; F1010-A1051 HydrophobicContact CE1-CB 3.54Å; F1010-A1051 HydrophobicContact CZ-CB 4.47Å; E1047-A1051 WeakPolarHBondContact O-CB 3.35Å; E1047-A1051 PolarHBondContact O-N 3.48Å; I1048-A1051 PolarHBondContact O-N 2.98Å; A1051-A1054 PolarHBondContact O-N 3.07Å; A1051-K1055 WeakPolarHBondContact O-CB 3.45Å; A1051-K1055 PolarHBondContact O-N 3.25Å |
| 1052 | Q | 84.3 | Confident | 79 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.7 | -169.1 | 174 | 7.9 | 0 | 0 | 111.9 | I1048 K1055 L1056 | I1048-Q1052 WeakPolarHBondContact O-CB 3.46Å; I1048-Q1052 PolarHBondContact O-N 3.22Å; Q1052-K1055 WeakPolarHBondContact O-CB 3.29Å; Q1052-K1055 PolarHBondContact O-N 3.41Å; Q1052-L1056 WeakPolarHBondContact O-CG 3.36Å; Q1052-L1056 PolarHBondContact O-N 3.31Å |
| 1053 | A | 84.2 | Confident | 77.2 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 28% | 0.281 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1049 Q1050 L1056 R1057 | A1049-A1053 WeakPolarHBondContact O-CB 3.41Å; A1049-A1053 PolarHBondContact O-N 3.22Å; Q1050-A1053 PolarHBondContact O-N 3.12Å; A1053-L1056 PolarHBondContact O-N 3.22Å; A1053-R1057 WeakPolarHBondContact O-CG 3.36Å; A1053-R1057 PolarHBondContact O-N 2.91Å |
| 1054 | A | 83 | Confident | 75.6 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1050 A1051 R1057 R1058 | Q1050-A1054 WeakPolarHBondContact O-CB 3.43Å; Q1050-A1054 PolarHBondContact O-N 2.56Å; A1051-A1054 PolarHBondContact O-N 3.07Å; A1054-R1057 PolarHBondContact O-N 3.37Å; A1054-R1058 WeakPolarHBondContact O-CG 3.47Å; A1054-R1058 PolarHBondContact O-N 3.09Å |
| 1055 | K | 81.3 | Confident | 74 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.035 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 171.8 | -177.7 | -178.6 | -176.4 | 176.9 | 0 | 110.8 | E953 F1008 D1011 A1051 Q1052 R1057 R1058 H1059 | E953-K1055 WeakPolarHBondContact OE1-CE 3.4Å; E953-K1055 IonicContact OE1-NZ 3.75Å; E953-K1055 PolarHBondContact OE1-NZ 3.49Å; E953-K1055 IonicContact OE2-NZ 3.62Å; E953-K1055 PolarHBondContact OE2-NZ 3.42Å; F1008-K1055 PolarHBondContact O-NZ 3.44Å; D1011-K1055 VanDerWaalsContact OD1-CE 3.24Å; D1011-K1055 WeakPolarHBondContact OD1-CE 3.48Å; D1011-K1055 IonicContact OD1-NZ 2.89Å; D1011-K1055 PolarHBondContact OD1-NZ 2.88Å; D1011-K1055 IonicContact OD2-NZ 3.65Å; D1011-K1055 PolarHBondContact OD2-NZ 2.74Å; A1051-K1055 WeakPolarHBondContact O-CB 3.45Å; A1051-K1055 PolarHBondContact O-N 3.25Å; Q1052-K1055 WeakPolarHBondContact O-CB 3.29Å; Q1052-K1055 PolarHBondContact O-N 3.41Å; K1055-R1057 VanDerWaalsContact C-N 3.33Å; K1055-R1057 PolarHBondContact O-N 3.12Å; K1055-R1058 WeakPolarHBondContact O-CB 3.49Å; K1055-R1058 PolarHBondContact O-N 3.47Å; K1055-R1058 VanDerWaalsContact O-N 3.12Å; K1055-H1059 PolarHBondContact O-CD2 2.74Å; K1055-H1059 PolarHBondContact O-N 3.38Å |
| 1056 | L | 75.6 | Confident | 72.1 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 175.4 | -72.8 | 168.9 | 0 | 0 | 0 | 112.3 | Q1052 A1053 R1058 H1059 A1060 | Q1052-L1056 WeakPolarHBondContact O-CG 3.36Å; Q1052-L1056 PolarHBondContact O-N 3.31Å; A1053-L1056 PolarHBondContact O-N 3.22Å; L1056-R1058 PolarHBondContact O-N 3.41Å; L1056-H1059 PolarHBondContact O-N 3.19Å; L1056-A1060 WeakPolarHBondContact O-CB 3.48Å; L1056-A1060 PolarHBondContact O-N 3.3Å |
| 1057 | R | 76.9 | Confident | 70.2 | Confident | 167 Ų | 167 | 72.1 Ų | 72.1 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 174.7 | -74.7 | -178.3 | -132.3 | 167.9 | 1.2 | 112.8 | A1053 A1054 K1055 H1059 A1060 C1061 | A1053-R1057 WeakPolarHBondContact O-CG 3.36Å; A1053-R1057 PolarHBondContact O-N 2.91Å; A1054-R1057 PolarHBondContact O-N 3.37Å; K1055-R1057 VanDerWaalsContact C-N 3.33Å; K1055-R1057 PolarHBondContact O-N 3.12Å; R1057-H1059 VanDerWaalsContact C-N 3.32Å; R1057-H1059 PolarHBondContact O-N 3.44Å; R1057-A1060 WeakPolarHBondContact O-CB 3.35Å; R1057-A1060 PolarHBondContact O-N 3Å; R1057-C1061 PolarHBondContact O-N 2.85Å; R1057-C1061 VanDerWaalsContact O-N 3.15Å; R1057-C1061 PolarHBondContact O-SG 3.5Å |
| 1058 | R | 72.8 | Confident | 68.1 | Low | 153 Ų | 153 | 73.8 Ų | 73.8 | 58% | 0.577 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 176 | -72.7 | 177.9 | -174.6 | 166.3 | 2.6 | 111.5 | A1054 K1055 L1056 A1060 C1061 | A1054-R1058 WeakPolarHBondContact O-CG 3.47Å; A1054-R1058 PolarHBondContact O-N 3.09Å; K1055-R1058 WeakPolarHBondContact O-CB 3.49Å; K1055-R1058 PolarHBondContact O-N 3.47Å; K1055-R1058 VanDerWaalsContact O-N 3.12Å; L1056-R1058 PolarHBondContact O-N 3.41Å; R1058-A1060 VanDerWaalsContact C-N 3.35Å; R1058-C1061 PolarHBondContact O-N 3.1Å |
| 1059 | H | 69.2 | Low | 66.1 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 17% | 0.167 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 174 | -73 | -68.7 | 0 | 0 | 0 | 112.2 | Q1012 K1055 L1056 R1057 C1061 V1062 I1065 | Q1012-H1059 PolarHBondContact NE2-CE1 2.87Å; Q1012-H1059 PolarHBondContact NE2-NE2 3.13Å; K1055-H1059 PolarHBondContact O-CD2 2.74Å; K1055-H1059 PolarHBondContact O-N 3.38Å; L1056-H1059 PolarHBondContact O-N 3.19Å; R1057-H1059 VanDerWaalsContact C-N 3.32Å; R1057-H1059 PolarHBondContact O-N 3.44Å; H1059-C1061 VanDerWaalsContact C-N 3.25Å; H1059-C1061 PolarHBondContact O-N 3.21Å; H1059-V1062 PolarHBondContact O-N 2.85Å; H1059-V1062 VanDerWaalsContact O-N 3.16Å; H1059-I1065 HydrophobicContact CB-CG2 3.99Å |
| 1060 | A | 64.3 | Low | 64.1 | Low | 51 Ų | 51 | 83.7 Ų | 83.7 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -28.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1056 R1057 R1058 V1062 L1066 | L1056-A1060 WeakPolarHBondContact O-CB 3.48Å; L1056-A1060 PolarHBondContact O-N 3.3Å; R1057-A1060 WeakPolarHBondContact O-CB 3.35Å; R1057-A1060 PolarHBondContact O-N 3Å; R1058-A1060 VanDerWaalsContact C-N 3.35Å; A1060-V1062 PolarHBondContact O-N 2.75Å; A1060-L1066 HydrophobicContact CB-CD1 3.46Å; A1060-L1066 VanDerWaalsContact CB-CD1 3.46Å |
| 1061 | C | 64.8 | Low | 62.2 | Low | 107 Ų | 107 | 81.2 Ų | 81.2 | 72% | 0.723 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.5 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 114.1 | R1057 R1058 H1059 P1063 | R1057-C1061 PolarHBondContact O-N 2.85Å; R1057-C1061 VanDerWaalsContact O-N 3.15Å; R1057-C1061 PolarHBondContact O-SG 3.5Å; R1058-C1061 PolarHBondContact O-N 3.1Å; H1059-C1061 VanDerWaalsContact C-N 3.25Å; H1059-C1061 PolarHBondContact O-N 3.21Å; C1061-P1063 WeakPolarHBondContact O-CD 3.37Å |
| 1062 | V | 55.8 | Low | 60.2 | Low | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -102.4 | 108.7 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | H1059 A1060 G1064 I1065 | H1059-V1062 PolarHBondContact O-N 2.85Å; H1059-V1062 VanDerWaalsContact O-N 3.16Å; A1060-V1062 PolarHBondContact O-N 2.75Å; V1062-G1064 PolarHBondContact O-N 2.91Å; V1062-I1065 HydrophobicContact CB-CD1 3.65Å; V1062-I1065 HydrophobicContact CB-CG1 4.01Å; V1062-I1065 HydrophobicContact CG1-CD1 3.7Å; V1062-I1065 HydrophobicContact CG1-CG1 3.92Å; V1062-I1065 HydrophobicContact CG2-CD1 4.14Å; V1062-I1065 PolarHBondContact O-N 3.07Å |
| 1063 | P | 43.9 | Very low | 58.2 | Low | 129 Ų | 129 | 90.6 Ų | 90.6 | 84% | 0.838 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 122.7 | -178.9 | -23.4 | 32.8 | 0 | 0 | 0 | 111.6 | C1061 | C1061-P1063 WeakPolarHBondContact O-CD 3.37Š|
| 1064 | G | 49.9 | Very low | 55.7 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -2.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1062 | V1062-G1064 PolarHBondContact O-N 2.91Š|
| 1065 | I | 49.1 | Very low | 53.3 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 47% | 0.467 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -80.5 | -38.8 | 174.1 | -71.7 | -170.9 | 0 | 0 | 0 | 112.3 | H1059 V1062 | H1059-I1065 HydrophobicContact CB-CG2 3.99Å; V1062-I1065 HydrophobicContact CB-CD1 3.65Å; V1062-I1065 HydrophobicContact CB-CG1 4.01Å; V1062-I1065 HydrophobicContact CG1-CD1 3.7Å; V1062-I1065 HydrophobicContact CG1-CG1 3.92Å; V1062-I1065 HydrophobicContact CG2-CD1 4.14Å; V1062-I1065 PolarHBondContact O-N 3.07Å |
| 1066 | L | 46.2 | Very low | 51.9 | Low | 47 Ų | 47 | 109 Ų | 109 | 25% | 0.246 | 61% | 0.609 | C | S | . | * | S | Bend | trans | -86.3 | 132.6 | 173 | -67 | 177.5 | 0 | 0 | 0 | 109.4 | A1060 E1070 V1071 | A1060-L1066 HydrophobicContact CB-CD1 3.46Å; A1060-L1066 VanDerWaalsContact CB-CD1 3.46Å; L1066-E1070 HydrophobicContact CB-CB 4.12Å; L1066-E1070 HydrophobicContact CD2-CB 4.32Å; L1066-V1071 HydrophobicContact CB-CG2 4.22Å |
| 1067 | G | 45.5 | Very low | 50.7 | Low | 25 Ų | 25 | 109.8 Ų | 109.8 | 26% | 0.258 | 62% | 0.615 | S | S | . | * | trans | -59.8 | 154.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1069 E1070 | G1067-H1069 PolarHBondContact O-N 3.21Å; G1067-E1070 PolarHBondContact N-OE2 3.03Å; G1067-E1070 WeakPolarHBondContact O-CB 3.47Å; G1067-E1070 PolarHBondContact O-N 2.93Å | ||
| 1068 | P | 39.9 | Very low | 49.2 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -20.1 | 180 | -24.6 | 32.6 | 0 | 0 | 0 | 114.6 | ||
| 1069 | H | 44.5 | Very low | 47.9 | Very low | 166 Ų | 166 | 103.9 Ų | 103.9 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -12.7 | 178.8 | -37.2 | -52 | 0 | 0 | 0 | 113.4 | G1067 | G1067-H1069 PolarHBondContact O-N 3.21Š|
| 1070 | E | 43.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 108.1 Ų | 108.1 | 48% | 0.477 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | -8.4 | -177.3 | -62.8 | 177.5 | 150.5 | 0 | 0 | 112.1 | L1066 G1067 | L1066-E1070 HydrophobicContact CB-CB 4.12Å; L1066-E1070 HydrophobicContact CD2-CB 4.32Å; G1067-E1070 PolarHBondContact N-OE2 3.03Å; G1067-E1070 WeakPolarHBondContact O-CB 3.47Å; G1067-E1070 PolarHBondContact O-N 2.93Å |
| 1071 | V | 45.7 | Very low | 45.3 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -84.1 | -22.4 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | L1066 M1073 | L1066-V1071 HydrophobicContact CB-CG2 4.22Å; V1071-M1073 VanDerWaalsContact C-N 3.27Å; V1071-M1073 PolarHBondContact O-N 3.13Å; V1071-M1073 VanDerWaalsContact O-N 3.15Å |
| 1072 | D | 44.1 | Very low | 43.9 | Very low | 144 Ų | 144 | 112.3 Ų | 112.3 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 13.7 | -172.6 | -74.8 | -20.7 | 0 | 0 | 0 | 115.4 | ||
| 1073 | M | 41.8 | Very low | 43 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 85% | 0.852 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 11.5 | -179.8 | -73.1 | -103.6 | -74.4 | 0 | 0 | 113.5 | V1071 | V1071-M1073 VanDerWaalsContact C-N 3.27Å; V1071-M1073 PolarHBondContact O-N 3.13Å; V1071-M1073 VanDerWaalsContact O-N 3.15Å |
| 1074 | C | 32.3 | Very low | 43 | Very low | 111 Ų | 111 | 114 Ų | 114 | 75% | 0.75 | 66% | 0.656 | S | S | * | * | trans | -132.9 | 64.9 | -179 | -75.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1075 | D | 33.3 | Very low | 42.3 | Very low | 243 Ų | 243 | 117.3 Ų | 117.3 | 100% | 1.299 | 64% | 0.643 | S | S | * | * | trans | -129.4 | 0 | 155.5 | -94.1 | -21.5 | 0 | 0 | 0 | 109.2 |
Retrieved 1,075 of 1,075 residues in 2158.6 ms
(Link to these results)