| 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 | 44.7 | Very low | 77.1 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 78% | 0.778 | 41% | 0.411 | S | S | * | . | 0 | 140.9 | 0 | -68.2 | 170.3 | 83.6 | 0 | 0 | 107.5 | |||||
| 2 | S | 44.7 | Very low | 77.9 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 72% | 0.72 | 45% | 0.445 | S | S | * | . | trans | -64.5 | 140.3 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | H4 | S2-H4 PolarHBondContact O-N 3.07Š| ||
| 3 | P | 54.9 | Low | 78.6 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | trans | -62.4 | 121.3 | -179.5 | 23.3 | -31.4 | 0 | 0 | 0 | 110.2 | N5 | P3-N5 VanDerWaalsContact C-N 3.31Å; P3-N5 PolarHBondContact O-N 3.37Å | ||
| 4 | H | 65.1 | Low | 79.3 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | trans | -75.6 | 86.9 | 170.3 | -67.4 | -67.3 | 0 | 0 | 0 | 108.5 | S2 F6 | S2-H4 PolarHBondContact O-N 3.07Å; H4-F6 HydrophobicContact CB-CD1 3.94Å; H4-F6 HydrophobicContact CB-CE1 3.67Å; H4-F6 HydrophobicContact CB-CZ 4.29Å; H4-F6 AromaticContact CG-CE1 3.88Å; H4-F6 AromaticContact ND1-CE1 3.67Å; H4-F6 PolarHBondContact O-N 3.38Å | ||
| 5 | N | 79.7 | Confident | 80.1 | Confident | 127 Ų | 127 | 77.7 Ų | 77.7 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | trans | -76.2 | 50.3 | 176 | -76.5 | -16.3 | 0 | 0 | 0 | 111.8 | P3 | P3-N5 VanDerWaalsContact C-N 3.31Å; P3-N5 PolarHBondContact O-N 3.37Å | ||
| 6 | F | 90.6 | Very high | 80.8 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | trans | -132 | 159.5 | 171.5 | 69.1 | -104.9 | 0 | 0 | 0 | 111 | H4 N24 Y26 L57 N115 M119 | H4-F6 HydrophobicContact CB-CD1 3.94Å; H4-F6 HydrophobicContact CB-CE1 3.67Å; H4-F6 HydrophobicContact CB-CZ 4.29Å; H4-F6 AromaticContact CG-CE1 3.88Å; H4-F6 AromaticContact ND1-CE1 3.67Å; H4-F6 PolarHBondContact O-N 3.38Å; F6-N24 CarbonylContact C-O 3.49Å; F6-N24 WeakPolarHBondContact CA-O 3.37Å; F6-Y26 AromaticContact CD2-CD2 3.92Å; F6-Y26 HydrophobicContact CD2-CD2 3.92Å; F6-Y26 HydrophobicContact CD2-CG 4.32Å; F6-Y26 HydrophobicContact CE1-CD2 4.25Å; F6-Y26 AromaticContact CE2-CD2 3.66Å; F6-Y26 HydrophobicContact CE2-CD2 3.66Å; F6-Y26 HydrophobicContact CE2-CG 4.27Å; F6-Y26 HydrophobicContact CG-CD2 4.35Å; F6-Y26 AromaticContact CZ-CD2 3.83Å; F6-Y26 HydrophobicContact CZ-CD2 3.83Å; F6-Y26 HydrophobicContact CZ-CE2 4.38Å; F6-L57 HydrophobicContact CE2-CD2 4.41Å; F6-L57 HydrophobicContact CZ-CD2 3.93Å; F6-N115 HydrophobicContact CE2-CB 4.11Å; F6-N115 PolarHBondContact O-ND2 3.43Å; F6-M119 HydrophobicContact CE2-CE 3.57Å; F6-M119 HydrophobicContact CZ-CE 3.87Å | ||
| 7 | E | 93 | Very high | 81.4 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -114.9 | 130.2 | 167.8 | -175.3 | 169.9 | -174 | 0 | 0 | 109.9 | H9 N24 Y26 K118 | E7-H9 IonicContact OE2-CE1 3.83Å; E7-H9 IonicContact OE2-NE2 3.62Å; E7-N24 PolarHBondContact N-O 2.96Å; E7-Y26 PolarHBondContact O-N 3.46Å; E7-K118 IonicContact OE1-NZ 3.65Å; E7-K118 PolarHBondContact OE1-NZ 3.49Å; E7-K118 VanDerWaalsContact OE1-NZ 3.07Å |
| 8 | F | 94.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | trans | -84.5 | 115 | 169 | -169.3 | -97.8 | 0 | 0 | 0 | 109.1 | L10 L17 Y26 F60 N115 K118 M119 Y122 | F8-L10 HydrophobicContact CE1-CD2 4.08Å; F8-L17 HydrophobicContact CE2-CD2 3.93Å; F8-L17 HydrophobicContact CZ-CD2 4.23Å; F8-Y26 AromaticContact CD2-CD1 3.71Å; F8-Y26 HydrophobicContact CD2-CD1 3.71Å; F8-Y26 AromaticContact CD2-CG 3.85Å; F8-Y26 HydrophobicContact CD2-CG 3.85Å; F8-Y26 AromaticContact CE2-CD1 3.84Å; F8-Y26 HydrophobicContact CE2-CD1 3.84Å; F8-Y26 HydrophobicContact CE2-CE1 4.38Å; F8-Y26 HydrophobicContact CE2-CG 4.44Å; F8-F60 HydrophobicContact CE2-CD1 4.49Å; F8-F60 HydrophobicContact CE2-CD2 4.44Å; F8-F60 AromaticContact CE2-CE1 3.97Å; F8-F60 HydrophobicContact CE2-CE1 3.97Å; F8-F60 AromaticContact CE2-CE2 3.87Å; F8-F60 HydrophobicContact CE2-CE2 3.87Å; F8-F60 AromaticContact CE2-CZ 3.6Å; F8-F60 HydrophobicContact CE2-CZ 3.6Å; F8-F60 HydrophobicContact CZ-CE1 4.35Å; F8-F60 AromaticContact CZ-CE2 3.74Å; F8-F60 HydrophobicContact CZ-CE2 3.74Å; F8-F60 AromaticContact CZ-CZ 3.56Å; F8-F60 HydrophobicContact CZ-CZ 3.56Å; F8-N115 HydrophobicContact CB-CB 4.38Å; F8-N115 PolarHBondContact N-OD1 3.32Å; F8-K118 HydrophobicContact CD1-CB 3.66Å; F8-K118 HydrophobicContact CD1-CD 4.48Å; F8-K118 HydrophobicContact CE1-CB 4.34Å; F8-K118 WeakPolarHBondContact O-CD 3.31Å; F8-K118 PolarHBondContact O-NZ 3.09Å; F8-M119 HydrophobicContact CB-CE 4.14Å; F8-M119 HydrophobicContact CB-CG 4.16Å; F8-M119 HydrophobicContact CD1-CG 3.88Å; F8-M119 HydrophobicContact CD2-CE 3.34Å; F8-M119 HydrophobicContact CD2-CG 3.48Å; F8-M119 VanDerWaalsContact CD2-CG 3.48Å; F8-M119 HydrophobicContact CD2-SD 4.27Å; F8-M119 HydrophobicContact CE1-CG 4.07Å; F8-M119 HydrophobicContact CE2-CE 4Å; F8-M119 HydrophobicContact CE2-CG 3.71Å; F8-M119 HydrophobicContact CG-CE 3.99Å; F8-M119 HydrophobicContact CG-CG 3.56Å; F8-M119 HydrophobicContact CZ-CG 4Å; F8-Y122 HydrophobicContact CE1-CD1 4.49Å; F8-Y122 HydrophobicContact CE1-CG 4.34Å; F8-Y122 HydrophobicContact CZ-CD1 4.02Å; F8-Y122 HydrophobicContact CZ-CG 4.31Å | ||
| 9 | H | 93.9 | Very high | 82 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | trans | -94.3 | 131.8 | 170.5 | -68.4 | -97.9 | 0 | 0 | 0 | 108.4 | E7 P11 Q25 | E7-H9 IonicContact OE2-CE1 3.83Å; E7-H9 IonicContact OE2-NE2 3.62Å; H9-P11 WeakPolarHBondContact O-CD 3.38Å; H9-Q25 PolarHBondContact NE2-NE2 3.27Å | ||
| 10 | L | 94.1 | Very high | 81.4 | Confident | 109 Ų | 109 | 79.4 Ų | 79.4 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | trans | -67.8 | 114 | 177 | -70.1 | 167.5 | 0 | 0 | 0 | 108.6 | F8 K118 Y122 | F8-L10 HydrophobicContact CE1-CD2 4.08Å; L10-K118 HydrophobicContact CD2-CB 4.23Å; L10-Y122 HydrophobicContact CD2-CD2 4.27Å; L10-Y122 HydrophobicContact CD2-CG 4.41Å | ||
| 11 | P | 92.2 | Very high | 80.6 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | trans | -79.9 | 153.8 | -178.2 | 36.9 | -39.1 | 0 | 0 | 0 | 110.6 | H9 S13 E16 L17 Y122 | H9-P11 WeakPolarHBondContact O-CD 3.38Å; P11-S13 WeakPolarHBondContact CB-O 3.35Å; P11-E16 WeakPolarHBondContact CA-OE2 3.34Å; P11-E16 HydrophobicContact CB-CB 3.9Å; P11-L17 HydrophobicContact CB-CD2 4.21Å; P11-L17 HydrophobicContact CB-CG 4.13Å; P11-L17 HydrophobicContact CG-CD1 3.92Å; P11-L17 HydrophobicContact CG-CD2 3.89Å; P11-L17 HydrophobicContact CG-CG 3.77Å; P11-Y122 HydrophobicContact CG-CD2 4.26Å; P11-Y122 HydrophobicContact CG-CE1 4.16Å; P11-Y122 HydrophobicContact CG-CE2 3.44Å; P11-Y122 VanDerWaalsContact CG-CE2 3.44Å; P11-Y122 WeakPolarHBondContact CG-OH 3.35Å | ||
| 12 | L | 87.6 | Confident | 82 | Confident | 156 Ų | 156 | 72.7 Ų | 72.7 | 82% | 0.817 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -80.9 | -32.2 | 171.1 | -62 | 177.4 | 0 | 0 | 0 | 111.2 | E16 | L12-E16 PolarHBondContact N-OE2 3.4Š|
| 13 | S | 87 | Confident | 83.8 | Confident | 40 Ų | 40 | 74 Ų | 74 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -129.3 | 138.2 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | P11 E15 E16 | P11-S13 WeakPolarHBondContact CB-O 3.35Å; S13-E15 WeakPolarHBondContact CB-OE2 3.5Å; S13-E15 PolarHBondContact O-N 3.08Å; S13-E15 VanDerWaalsContact O-N 3.08Å; S13-E16 PolarHBondContact N-OE1 3.25Å; S13-E16 WeakPolarHBondContact O-CB 3.28Å; S13-E16 PolarHBondContact O-N 3.39Å; S13-E16 WeakPolarHBondContact OG-CG 3.33Å; S13-E16 PolarHBondContact OG-OE1 3.33Å |
| 14 | P | 88.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 14% | 0.143 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -54.1 | -31.9 | -179.6 | -26.1 | 34.3 | 0 | 0 | 0 | 113.5 | E16 L17 Y64 | P14-E16 PolarHBondContact O-N 3.41Å; P14-L17 WeakPolarHBondContact O-CB 3.32Å; P14-L17 PolarHBondContact O-N 2.68Å; P14-Y64 HydrophobicContact CB-CE2 3.96Å; P14-Y64 WeakPolarHBondContact O-CE2 3.43Å; P14-Y64 PolarHBondContact O-OH 3.35Å |
| 15 | E | 90.7 | Very high | 86.5 | Confident | 107 Ų | 107 | 76 Ų | 76 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -63.5 | -21.3 | 180 | -61.1 | 76.4 | -168 | 0 | 0 | 113.2 | S13 L17 L18 | S13-E15 WeakPolarHBondContact CB-OE2 3.5Å; S13-E15 PolarHBondContact O-N 3.08Å; S13-E15 VanDerWaalsContact O-N 3.08Å; E15-L17 PolarHBondContact O-N 3.09Å; E15-L18 PolarHBondContact O-N 3.5Å |
| 16 | E | 90.9 | Very high | 87.1 | Confident | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -63.7 | -29.6 | 172.5 | -74.5 | 158 | -136.3 | 0 | 0 | 112 | P11 L12 S13 P14 L18 K19 | P11-E16 WeakPolarHBondContact CA-OE2 3.34Å; P11-E16 HydrophobicContact CB-CB 3.9Å; L12-E16 PolarHBondContact N-OE2 3.4Å; S13-E16 PolarHBondContact N-OE1 3.25Å; S13-E16 WeakPolarHBondContact O-CB 3.28Å; S13-E16 PolarHBondContact O-N 3.39Å; S13-E16 WeakPolarHBondContact OG-CG 3.33Å; S13-E16 PolarHBondContact OG-OE1 3.33Å; P14-E16 PolarHBondContact O-N 3.41Å; E16-L18 PolarHBondContact O-N 3.13Å; E16-K19 PolarHBondContact O-N 3.42Å; E16-K19 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 92.4 | Very high | 87.2 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -71.4 | -13.6 | 178.9 | -61.2 | 171.8 | 0 | 0 | 0 | 113 | F8 P11 P14 E15 V27 V28 F60 Y64 Y122 | F8-L17 HydrophobicContact CE2-CD2 3.93Å; F8-L17 HydrophobicContact CZ-CD2 4.23Å; P11-L17 HydrophobicContact CB-CD2 4.21Å; P11-L17 HydrophobicContact CB-CG 4.13Å; P11-L17 HydrophobicContact CG-CD1 3.92Å; P11-L17 HydrophobicContact CG-CD2 3.89Å; P11-L17 HydrophobicContact CG-CG 3.77Å; P14-L17 WeakPolarHBondContact O-CB 3.32Å; P14-L17 PolarHBondContact O-N 2.68Å; E15-L17 PolarHBondContact O-N 3.09Å; L17-V27 CarbonylContact O-C 3.54Å; L17-V27 VanDerWaalsContact O-CA 3.32Å; L17-V27 WeakPolarHBondContact O-CA 3.32Å; L17-V28 HydrophobicContact CB-CG2 3.82Å; L17-V28 PolarHBondContact O-N 3.46Å; L17-F60 HydrophobicContact CD1-CE1 3.81Å; L17-F60 HydrophobicContact CD1-CZ 3.92Å; L17-Y64 HydrophobicContact CB-CE2 4.21Å; L17-Y64 HydrophobicContact CD1-CD2 3.97Å; L17-Y64 HydrophobicContact CD1-CE2 4.1Å; L17-Y122 HydrophobicContact CD1-CE1 3.87Å |
| 18 | L | 90.6 | Very high | 87.3 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -87.5 | -13.7 | 174.1 | -63.3 | 173.6 | 0 | 0 | 0 | 112.8 | E15 E16 V28 V31 Y64 | E15-L18 PolarHBondContact O-N 3.5Å; E16-L18 PolarHBondContact O-N 3.13Å; L18-V28 HydrophobicContact CD2-CB 4.06Å; L18-V28 HydrophobicContact CD2-CG1 3.99Å; L18-V31 HydrophobicContact CD2-CG2 3.98Å; L18-Y64 WeakPolarHBondContact CD1-OH 3.26Å; L18-Y64 HydrophobicContact CD2-CE1 4Å; L18-Y64 HydrophobicContact CG-CE1 4.44Å; L18-Y64 VanDerWaalsContact CG-OH 3.31Å; L18-Y64 WeakPolarHBondContact CG-OH 3.39Å |
| 19 | K | 83.7 | Confident | 87.1 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -101.4 | 142.6 | -176.9 | -63 | 176.2 | -175 | 171 | 0 | 109.1 | E16 G21 V27 | E16-K19 PolarHBondContact O-N 3.42Å; E16-K19 VanDerWaalsContact O-N 3.13Å; K19-G21 PolarHBondContact O-N 3.07Å; K19-V27 WeakPolarHBondContact O-CG1 3.31Å |
| 20 | S | 68.9 | Low | 87.1 | Confident | 113 Ų | 113 | 79.8 Ų | 79.8 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | trans | -68.3 | 101.5 | 170.6 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | G | 64 | Low | 87.2 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | trans | -81.7 | -12.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K19 Q25 | K19-G21 PolarHBondContact O-N 3.07Å; G21-Q25 VanDerWaalsContact C-CD 3.47Å; G21-Q25 PolarHBondContact O-OE1 3.21Å | ||
| 22 | G | 75.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 77 Ų | 77 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 163.3 | 174.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q25 | G22-Q25 PolarHBondContact O-N 3.12Š|
| 23 | V | 81.4 | Confident | 88 | Confident | 130 Ų | 130 | 72.2 Ų | 72.2 | 79% | 0.788 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 135.6 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | Q25 | V23-Q25 PolarHBondContact O-N 3.37Š|
| 24 | N | 86.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 73.2 Ų | 73.2 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 23.4 | -179.2 | -55.9 | -29.7 | 0 | 0 | 0 | 114.8 | F6 E7 | F6-N24 CarbonylContact C-O 3.49Å; F6-N24 WeakPolarHBondContact CA-O 3.37Å; E7-N24 PolarHBondContact N-O 2.96Å |
| 25 | Q | 90.8 | Very high | 88.8 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 29% | 0.29 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 141.8 | 171.6 | -66.5 | -168.8 | -7.5 | 0 | 0 | 111.1 | H9 G21 G22 V23 V27 | H9-Q25 PolarHBondContact NE2-NE2 3.27Å; G21-Q25 VanDerWaalsContact C-CD 3.47Å; G21-Q25 PolarHBondContact O-OE1 3.21Å; G22-Q25 PolarHBondContact O-N 3.12Å; V23-Q25 PolarHBondContact O-N 3.37Å; Q25-V27 PolarHBondContact O-N 3.26Å |
| 26 | Y | 92.1 | Very high | 89.2 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | trans | -62.3 | 133.1 | 170.7 | -175.3 | -89.8 | 0 | 0 | 0 | 110.2 | F6 E7 F8 V28 F60 D61 M119 | F6-Y26 AromaticContact CD2-CD2 3.92Å; F6-Y26 HydrophobicContact CD2-CD2 3.92Å; F6-Y26 HydrophobicContact CD2-CG 4.32Å; F6-Y26 HydrophobicContact CE1-CD2 4.25Å; F6-Y26 AromaticContact CE2-CD2 3.66Å; F6-Y26 HydrophobicContact CE2-CD2 3.66Å; F6-Y26 HydrophobicContact CE2-CG 4.27Å; F6-Y26 HydrophobicContact CG-CD2 4.35Å; F6-Y26 AromaticContact CZ-CD2 3.83Å; F6-Y26 HydrophobicContact CZ-CD2 3.83Å; F6-Y26 HydrophobicContact CZ-CE2 4.38Å; E7-Y26 PolarHBondContact O-N 3.46Å; F8-Y26 AromaticContact CD2-CD1 3.71Å; F8-Y26 HydrophobicContact CD2-CD1 3.71Å; F8-Y26 AromaticContact CD2-CG 3.85Å; F8-Y26 HydrophobicContact CD2-CG 3.85Å; F8-Y26 AromaticContact CE2-CD1 3.84Å; F8-Y26 HydrophobicContact CE2-CD1 3.84Å; F8-Y26 HydrophobicContact CE2-CE1 4.38Å; F8-Y26 HydrophobicContact CE2-CG 4.44Å; Y26-V28 HydrophobicContact CE1-CG2 4.2Å; Y26-F60 HydrophobicContact CD1-CD1 4.48Å; Y26-F60 AromaticContact CE1-CD1 3.48Å; Y26-F60 HydrophobicContact CE1-CD1 3.48Å; Y26-F60 VanDerWaalsContact CE1-CD1 3.48Å; Y26-F60 AromaticContact CE1-CE1 3.97Å; Y26-F60 HydrophobicContact CE1-CE1 3.97Å; Y26-F60 HydrophobicContact CE1-CG 4.23Å; Y26-F60 AromaticContact CZ-CD1 3.77Å; Y26-D61 PolarHBondContact OH-OD1 3.42Å; Y26-M119 HydrophobicContact CD1-CE 3.91Å; Y26-M119 HydrophobicContact CD2-CE 3.26Å; Y26-M119 HydrophobicContact CE1-CE 4.1Å; Y26-M119 HydrophobicContact CE2-CE 3.43Å; Y26-M119 VanDerWaalsContact CE2-CE 3.43Å; Y26-M119 HydrophobicContact CG-CE 3.51Å | ||
| 27 | V | 93.3 | Very high | 89.5 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | trans | -131.3 | 145.9 | 168.2 | -63.4 | 0 | 0 | 0 | 0 | 108.7 | L17 K19 Q25 R29 | L17-V27 CarbonylContact O-C 3.54Å; L17-V27 VanDerWaalsContact O-CA 3.32Å; L17-V27 WeakPolarHBondContact O-CA 3.32Å; K19-V27 WeakPolarHBondContact O-CG1 3.31Å; Q25-V27 PolarHBondContact O-N 3.26Å; V27-R29 PolarHBondContact O-N 3.27Å | ||
| 28 | V | 94.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 77.2 Ų | 77.2 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | trans | -64.5 | 125.1 | 169.8 | 169.1 | 0 | 0 | 0 | 0 | 107.9 | L17 L18 Y26 V31 F60 D61 Y64 | L17-V28 HydrophobicContact CB-CG2 3.82Å; L17-V28 PolarHBondContact O-N 3.46Å; L18-V28 HydrophobicContact CD2-CB 4.06Å; L18-V28 HydrophobicContact CD2-CG1 3.99Å; Y26-V28 HydrophobicContact CE1-CG2 4.2Å; V28-V31 HydrophobicContact CG1-CG2 4.44Å; V28-F60 HydrophobicContact CG2-CD1 4.37Å; V28-F60 HydrophobicContact CG2-CE1 4.18Å; V28-D61 WeakPolarHBondContact CA-OD1 2.96Å; V28-Y64 HydrophobicContact CB-CD1 4.29Å; V28-Y64 HydrophobicContact CB-CE1 4.49Å; V28-Y64 HydrophobicContact CB-CG 4.4Å; V28-Y64 HydrophobicContact CG1-CD1 3.61Å; V28-Y64 HydrophobicContact CG1-CE1 3.95Å; V28-Y64 HydrophobicContact CG1-CG 4.09Å; V28-Y64 HydrophobicContact CG2-CD1 3.87Å; V28-Y64 HydrophobicContact CG2-CD2 3.61Å; V28-Y64 HydrophobicContact CG2-CE1 4.3Å; V28-Y64 HydrophobicContact CG2-CE2 4.04Å; V28-Y64 HydrophobicContact CG2-CG 3.5Å | ||
| 29 | R | 91.9 | Very high | 90.1 | Very high | 209 Ų | 209 | 76 Ų | 76 | 79% | 0.789 | 42% | 0.419 | S | S | * | . | trans | -86.3 | -39.7 | -175.9 | -56.8 | 177.5 | -178.9 | 174.1 | 0.7 | 110.7 | V27 D61 | V27-R29 PolarHBondContact O-N 3.27Å; R29-D61 WeakPolarHBondContact CA-OD2 3.36Å; R29-D61 WeakPolarHBondContact CB-OD2 3.31Å; R29-D61 PolarHBondContact N-OD2 2.89Å | ||
| 30 | E | 93.5 | Very high | 90.8 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | trans | -141.8 | 137.1 | -176.9 | -171.8 | 178.9 | 177.7 | 0 | 0 | 111.5 | L32 D61 | E30-L32 HydrophobicContact CG-CD2 4.34Å; E30-D61 PolarHBondContact N-OD2 3.4Å | ||
| 31 | V | 96.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 67.2 Ų | 67.2 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | trans | -94.7 | 105.3 | 164 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | L18 V28 Y64 H68 | L18-V31 HydrophobicContact CD2-CG2 3.98Å; V28-V31 HydrophobicContact CG1-CG2 4.44Å; V31-Y64 HydrophobicContact CG2-CD1 4.26Å; V31-Y64 HydrophobicContact CG2-CE1 3.8Å; V31-H68 HydrophobicContact CG1-CB 4.31Å | ||
| 32 | L | 97.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | trans | -69.8 | 137.4 | -173.3 | -66.4 | 162.9 | 0 | 0 | 0 | 111.3 | E30 L37 Q40 S65 | E30-L32 HydrophobicContact CG-CD2 4.34Å; L32-L37 HydrophobicContact CB-CD2 3.8Å; L32-L37 HydrophobicContact CD1-CD2 4.46Å; L32-Q40 HydrophobicContact CD1-CB 4.2Å; L32-Q40 HydrophobicContact CD1-CG 3.9Å; L32-S65 PolarHBondContact N-OG 3.27Å | ||
| 33 | P | 97.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | trans | -58.8 | 142.8 | 172.4 | -23.1 | 31.7 | 0 | 0 | 0 | 112.3 | K35 H36 | P33-K35 HydrophobicContact CB-CG 4.18Å; P33-K35 PolarHBondContact O-N 2.97Å; P33-H36 PolarHBondContact O-N 3.02Å | ||
| 34 | V | 97.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 66.3 Ų | 66.3 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -47.3 | -41.9 | -178.3 | 171.8 | 0 | 0 | 0 | 0 | 113.3 | H36 L37 H69 I73 | V34-H36 PolarHBondContact O-N 3.23Å; V34-H36 VanDerWaalsContact O-N 3.09Å; V34-L37 HydrophobicContact CB-CD1 4.5Å; V34-L37 HydrophobicContact CG2-CD1 4.42Å; V34-L37 PolarHBondContact O-N 2.99Å; V34-L37 VanDerWaalsContact O-N 3.12Å; V34-H69 HydrophobicContact CG2-CB 3.89Å; V34-I73 HydrophobicContact CG1-CG2 3.98Å; V34-I73 HydrophobicContact CG2-CG2 4.14Å |
| 35 | K | 96.9 | Very high | 96.3 | Very high | 169 Ų | 169 | 63.3 Ų | 63.3 | 74% | 0.735 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.7 | -20.7 | 179.6 | 66.4 | -177.6 | -178.9 | -179.3 | 0 | 114.7 | P33 | P33-K35 HydrophobicContact CB-CG 4.18Å; P33-K35 PolarHBondContact O-N 2.97Å |
| 36 | H | 97.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -97.6 | -13.9 | -179.7 | -65.1 | -56 | 0 | 0 | 0 | 113.3 | P33 V34 S38 S39 Q40 | P33-H36 PolarHBondContact O-N 3.02Å; V34-H36 PolarHBondContact O-N 3.23Å; V34-H36 VanDerWaalsContact O-N 3.09Å; H36-S38 PolarHBondContact O-N 3.25Å; H36-S39 PolarHBondContact O-N 2.81Å; H36-S39 PolarHBondContact O-OG 3.2Å; H36-Q40 HydrophobicContact CB-CG 4.49Å; H36-Q40 WeakPolarHBondContact O-CB 3.41Å; H36-Q40 VanDerWaalsContact O-CG 3.27Å; H36-Q40 WeakPolarHBondContact O-CG 3.42Å; H36-Q40 PolarHBondContact O-N 2.95Å |
| 37 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | -171.4 | -61.5 | 179.2 | 0 | 0 | 0 | 112.6 | L32 V34 S39 Q40 L41 I66 H69 I73 L77 | L32-L37 HydrophobicContact CB-CD2 3.8Å; L32-L37 HydrophobicContact CD1-CD2 4.46Å; V34-L37 HydrophobicContact CB-CD1 4.5Å; V34-L37 HydrophobicContact CG2-CD1 4.42Å; V34-L37 PolarHBondContact O-N 2.99Å; V34-L37 VanDerWaalsContact O-N 3.12Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.44Å; L37-Q40 PolarHBondContact O-N 3.4Å; L37-L41 WeakPolarHBondContact O-CB 3.36Å; L37-L41 PolarHBondContact O-N 3.13Å; L37-I66 HydrophobicContact CB-CG1 4.28Å; L37-I66 HydrophobicContact CD1-CG1 4.12Å; L37-I66 HydrophobicContact CD2-CG1 4.24Å; L37-I66 HydrophobicContact CG-CG1 4.45Å; L37-H69 HydrophobicContact CD1-CB 4.41Å; L37-I73 HydrophobicContact CD1-CG2 3.74Å; L37-L77 HydrophobicContact CB-CD2 3.74Å; L37-L77 HydrophobicContact CD1-CD2 4.35Å |
| 38 | S | 97.7 | Very high | 97.2 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 179 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | H36 R42 | H36-S38 PolarHBondContact O-N 3.25Å; S38-R42 WeakPolarHBondContact O-CG 3.25Å; S38-R42 PolarHBondContact O-N 3.14Å |
| 39 | S | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 174.8 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | H36 L37 R42 A43 | H36-S39 PolarHBondContact O-N 2.81Å; H36-S39 PolarHBondContact O-OG 3.2Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.44Å; S39-R42 PolarHBondContact O-N 2.81Å; S39-A43 PolarHBondContact O-N 3.21Å |
| 40 | Q | 98.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.9 | -33.5 | -179.6 | -70.4 | -67.5 | -7.9 | 0 | 0 | 112 | L32 H36 L37 A43 F44 T62 | L32-Q40 HydrophobicContact CD1-CB 4.2Å; L32-Q40 HydrophobicContact CD1-CG 3.9Å; H36-Q40 HydrophobicContact CB-CG 4.49Å; H36-Q40 WeakPolarHBondContact O-CB 3.41Å; H36-Q40 VanDerWaalsContact O-CG 3.27Å; H36-Q40 WeakPolarHBondContact O-CG 3.42Å; H36-Q40 PolarHBondContact O-N 2.95Å; L37-Q40 PolarHBondContact O-N 3.4Å; Q40-A43 WeakPolarHBondContact O-CB 3.26Å; Q40-A43 PolarHBondContact O-N 3Å; Q40-F44 PolarHBondContact O-N 3.23Å; Q40-T62 HydrophobicContact CB-CG2 3.7Å |
| 41 | L | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 171.5 | -178.1 | 63 | 0 | 0 | 0 | 111.3 | L37 A43 F44 Q45 L77 D80 T81 F84 | L37-L41 WeakPolarHBondContact O-CB 3.36Å; L37-L41 PolarHBondContact O-N 3.13Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-F44 PolarHBondContact O-N 2.96Å; L41-Q45 VanDerWaalsContact O-CG 3.31Å; L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.4Å; L41-L77 HydrophobicContact CB-CD1 4.46Å; L41-L77 HydrophobicContact CD2-CD1 3.61Å; L41-D80 HydrophobicContact CD2-CB 4.09Å; L41-T81 HydrophobicContact CD1-CG2 4.42Å; L41-T81 WeakPolarHBondContact CD2-OG1 3.43Å; L41-F84 HydrophobicContact CD1-CD1 3.92Å; L41-F84 HydrophobicContact CD1-CE1 4.48Å |
| 42 | R | 98.4 | Very high | 97.6 | Very high | 167 Ų | 167 | 62 Ų | 62 | 63% | 0.63 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 174.7 | -67.4 | 179 | -146 | 148.3 | 2.6 | 112.2 | S38 S39 F44 Q45 S46 | S38-R42 WeakPolarHBondContact O-CG 3.25Å; S38-R42 PolarHBondContact O-N 3.14Å; S39-R42 PolarHBondContact O-N 2.81Å; R42-F44 VanDerWaalsContact C-N 3.33Å; R42-Q45 PolarHBondContact O-N 3.02Å; R42-S46 PolarHBondContact O-N 3.02Å |
| 43 | A | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S39 Q40 L41 Q45 S46 A47 | S39-A43 PolarHBondContact O-N 3.21Å; Q40-A43 WeakPolarHBondContact O-CB 3.26Å; Q40-A43 PolarHBondContact O-N 3Å; L41-A43 VanDerWaalsContact C-N 3.35Å; A43-Q45 PolarHBondContact O-N 3.08Å; A43-S46 WeakPolarHBondContact O-CB 3.43Å; A43-S46 PolarHBondContact O-N 2.78Å; A43-S46 VanDerWaalsContact O-N 3.14Å; A43-A47 PolarHBondContact O-N 3.11Å |
| 44 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.8 | -176.6 | -163.7 | 0 | 0 | 0 | 112.2 | Q40 L41 R42 S46 A47 F48 A55 I56 H59 V63 F84 L85 | Q40-F44 PolarHBondContact O-N 3.23Å; L41-F44 PolarHBondContact O-N 2.96Å; R42-F44 VanDerWaalsContact C-N 3.33Å; F44-S46 VanDerWaalsContact C-N 3.27Å; F44-S46 PolarHBondContact O-N 3Å; F44-A47 PolarHBondContact O-N 2.95Å; F44-F48 WeakPolarHBondContact O-CB 3.43Å; F44-F48 PolarHBondContact O-N 3.13Å; F44-A55 HydrophobicContact CD2-CB 3.99Å; F44-A55 HydrophobicContact CE2-CB 3.69Å; F44-I56 HydrophobicContact CE1-CD1 3.76Å; F44-I56 HydrophobicContact CE2-CB 4.49Å; F44-I56 HydrophobicContact CE2-CD1 4.46Å; F44-I56 HydrophobicContact CZ-CB 4.15Å; F44-I56 HydrophobicContact CZ-CD1 3.5Å; F44-I56 VanDerWaalsContact CZ-CD1 3.5Å; F44-I56 HydrophobicContact CZ-CG1 4.41Å; F44-H59 HydrophobicContact CB-CB 3.76Å; F44-H59 HydrophobicContact CD1-CB 3.86Å; F44-H59 HydrophobicContact CD2-CB 3.36Å; F44-H59 AromaticContact CD2-CD2 3.68Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 HydrophobicContact CE1-CB 4.35Å; F44-H59 HydrophobicContact CE2-CB 3.92Å; F44-H59 HydrophobicContact CG-CB 3.37Å; F44-H59 AromaticContact CG-CG 3.72Å; F44-H59 HydrophobicContact CZ-CB 4.4Å; F44-V63 HydrophobicContact CD1-CG2 4.05Å; F44-V63 HydrophobicContact CE1-CG2 3.64Å; F44-F84 HydrophobicContact CB-CE1 4.46Å; F44-F84 HydrophobicContact CD1-CD1 4.31Å; F44-F84 AromaticContact CD1-CE1 3.51Å; F44-F84 HydrophobicContact CD1-CE1 3.51Å; F44-F84 HydrophobicContact CD1-CZ 4.42Å; F44-F84 HydrophobicContact CD2-CE1 4.13Å; F44-F84 HydrophobicContact CD2-CZ 4.28Å; F44-F84 HydrophobicContact CE1-CD1 4.33Å; F44-F84 AromaticContact CE1-CE1 3.56Å; F44-F84 HydrophobicContact CE1-CE1 3.56Å; F44-F84 HydrophobicContact CE1-CZ 4.44Å; F44-F84 HydrophobicContact CE2-CE1 4.16Å; F44-F84 HydrophobicContact CE2-CZ 4.3Å; F44-F84 AromaticContact CG-CE1 3.77Å; F44-F84 HydrophobicContact CG-CE1 3.77Å; F44-F84 HydrophobicContact CG-CZ 4.3Å; F44-F84 AromaticContact CZ-CE1 3.87Å; F44-F84 HydrophobicContact CZ-CE1 3.87Å; F44-F84 HydrophobicContact CZ-CZ 4.35Å; F44-L85 HydrophobicContact CE1-CD2 4.22Å |
| 45 | Q | 98.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 57 Ų | 57 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 173.5 | -72.2 | 171.2 | -9.9 | 0 | 0 | 112.4 | L41 R42 A43 R49 F84 | L41-Q45 VanDerWaalsContact O-CG 3.31Å; L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.4Å; R42-Q45 PolarHBondContact O-N 3.02Å; A43-Q45 PolarHBondContact O-N 3.08Å; Q45-R49 WeakPolarHBondContact O-CG 2.98Å; Q45-R49 PolarHBondContact O-N 2.83Å; Q45-F84 HydrophobicContact CB-CE2 4.24Å; Q45-F84 HydrophobicContact CB-CZ 4.31Å; Q45-F84 HydrophobicContact CG-CD1 4.07Å; Q45-F84 HydrophobicContact CG-CD2 3.75Å; Q45-F84 HydrophobicContact CG-CE1 4.02Å; Q45-F84 HydrophobicContact CG-CE2 3.72Å; Q45-F84 HydrophobicContact CG-CG 3.93Å; Q45-F84 HydrophobicContact CG-CZ 3.86Å |
| 46 | S | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 175.7 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | R42 A43 F44 F48 R49 A50 | R42-S46 PolarHBondContact O-N 3.02Å; A43-S46 WeakPolarHBondContact O-CB 3.43Å; A43-S46 PolarHBondContact O-N 2.78Å; A43-S46 VanDerWaalsContact O-N 3.14Å; F44-S46 VanDerWaalsContact C-N 3.27Å; F44-S46 PolarHBondContact O-N 3Å; S46-F48 VanDerWaalsContact C-N 3.32Å; S46-F48 PolarHBondContact O-N 3.01Å; S46-R49 WeakPolarHBondContact O-CB 3.24Å; S46-R49 PolarHBondContact O-N 2.84Å; S46-A50 PolarHBondContact O-N 3.04Å |
| 47 | A | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A43 F44 R49 A50 Q51 A55 H59 | A43-A47 PolarHBondContact O-N 3.11Å; F44-A47 PolarHBondContact O-N 2.95Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 2.96Å; A47-A50 PolarHBondContact O-N 2.8Å; A47-Q51 WeakPolarHBondContact O-CG 3.32Å; A47-Q51 PolarHBondContact O-N 3.35Å; A47-A55 HydrophobicContact CB-CB 3.91Å; A47-H59 VanDerWaalsContact CB-NE2 3.28Å; A47-H59 WeakPolarHBondContact CB-NE2 3.33Å |
| 48 | F | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 175.5 | 173.9 | -102.6 | 0 | 0 | 0 | 112.8 | F44 S46 A50 G52 P53 A55 F84 V88 R91 | F44-F48 WeakPolarHBondContact O-CB 3.43Å; F44-F48 PolarHBondContact O-N 3.13Å; S46-F48 VanDerWaalsContact C-N 3.32Å; S46-F48 PolarHBondContact O-N 3.01Å; F48-A50 VanDerWaalsContact C-N 3.27Å; F48-A50 PolarHBondContact O-N 3.3Å; F48-G52 VanDerWaalsContact CD2-C 3.42Å; F48-G52 VanDerWaalsContact CD2-O 3.28Å; F48-G52 WeakPolarHBondContact CD2-O 3.43Å; F48-G52 WeakPolarHBondContact O-CA 3.32Å; F48-G52 PolarHBondContact O-N 3.15Å; F48-P53 HydrophobicContact CE2-CG 4.24Å; F48-A55 HydrophobicContact CB-CB 4.17Å; F48-F84 HydrophobicContact CB-CE2 4Å; F48-F84 HydrophobicContact CB-CZ 3.7Å; F48-F84 AromaticContact CD1-CE2 3.76Å; F48-F84 HydrophobicContact CD1-CE2 3.76Å; F48-F84 HydrophobicContact CD1-CZ 4.31Å; F48-F84 HydrophobicContact CE1-CE2 4.47Å; F48-F84 AromaticContact CG-CE2 3.92Å; F48-F84 HydrophobicContact CG-CE2 3.92Å; F48-F84 HydrophobicContact CG-CZ 4Å; F48-V88 HydrophobicContact CD2-CB 4.4Å; F48-V88 HydrophobicContact CD2-CG1 4.22Å; F48-V88 HydrophobicContact CD2-CG2 3.73Å; F48-V88 HydrophobicContact CE2-CB 4.11Å; F48-V88 HydrophobicContact CE2-CG1 4.06Å; F48-V88 HydrophobicContact CE2-CG2 3.82Å; F48-V88 HydrophobicContact CG-CG2 4.15Å; F48-V88 HydrophobicContact CZ-CG2 4.28Å; F48-R91 HydrophobicContact CE2-CB 4.29Å; F48-R91 HydrophobicContact CE2-CG 4.34Å; F48-R91 HydrophobicContact CZ-CB 3.89Å; F48-R91 HydrophobicContact CZ-CG 4.02Å |
| 49 | R | 97.7 | Very high | 97.6 | Very high | 201 Ų | 201 | 49.9 Ų | 49.9 | 76% | 0.758 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.9 | -30.2 | 174.6 | -68 | 168.6 | -172.6 | 166.7 | 2.8 | 112.6 | Q45 S46 A47 | Q45-R49 WeakPolarHBondContact O-CG 2.98Å; Q45-R49 PolarHBondContact O-N 2.83Å; S46-R49 WeakPolarHBondContact O-CB 3.24Å; S46-R49 PolarHBondContact O-N 2.84Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 2.96Å |
| 50 | A | 96.6 | Very high | 97.6 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -85.6 | -43.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S46 A47 F48 | S46-A50 PolarHBondContact O-N 3.04Å; A47-A50 PolarHBondContact O-N 2.8Å; F48-A50 VanDerWaalsContact C-N 3.27Å; F48-A50 PolarHBondContact O-N 3.3Å |
| 51 | Q | 94.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -125.1 | 9.4 | -172 | 75.4 | -155.9 | 30.8 | 0 | 0 | 114.4 | A47 A55 E58 | A47-Q51 WeakPolarHBondContact O-CG 3.32Å; A47-Q51 PolarHBondContact O-N 3.35Å; Q51-A55 HydrophobicContact CG-CB 3.93Å; Q51-E58 PolarHBondContact NE2-OE2 3.04Å |
| 52 | G | 96.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 67 | -151.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F48 L54 A55 | F48-G52 VanDerWaalsContact CD2-C 3.42Å; F48-G52 VanDerWaalsContact CD2-O 3.28Å; F48-G52 WeakPolarHBondContact CD2-O 3.43Å; F48-G52 WeakPolarHBondContact O-CA 3.32Å; F48-G52 PolarHBondContact O-N 3.15Å; G52-L54 PolarHBondContact O-N 2.92Å; G52-L54 VanDerWaalsContact O-N 3.09Å; G52-A55 VanDerWaalsContact O-CB 3.28Å; G52-A55 WeakPolarHBondContact O-CB 3.36Å; G52-A55 PolarHBondContact O-N 3.41Å |
| 53 | P | 97.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.1 | -19.2 | -174.5 | -23.7 | 33.3 | 0 | 0 | 0 | 115.6 | F48 A55 I56 V88 R91 H92 E95 N120 | F48-P53 HydrophobicContact CE2-CG 4.24Å; P53-A55 PolarHBondContact O-N 3.35Å; P53-I56 WeakPolarHBondContact O-CG2 3.46Å; P53-I56 PolarHBondContact O-N 3.05Å; P53-V88 HydrophobicContact CB-CG1 4.29Å; P53-R91 HydrophobicContact CG-CB 4.31Å; P53-R91 HydrophobicContact CG-CG 4.01Å; P53-H92 HydrophobicContact CB-CB 3.6Å; P53-H92 VanDerWaalsContact CB-CG 3.46Å; P53-H92 HydrophobicContact CG-CB 3.65Å; P53-E95 VanDerWaalsContact CD-OE2 3.24Å; P53-E95 WeakPolarHBondContact CD-OE2 3.3Å; P53-E95 WeakPolarHBondContact CG-OE2 3.35Å; P53-N120 PolarHBondContact O-ND2 3.41Å; P53-N120 VanDerWaalsContact O-ND2 3.09Å |
| 54 | L | 97.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -66.9 | -15.1 | 175.3 | -66.2 | -179.1 | 0 | 0 | 0 | 112.8 | G52 I56 L57 A116 | G52-L54 PolarHBondContact O-N 2.92Å; G52-L54 VanDerWaalsContact O-N 3.09Å; L54-I56 PolarHBondContact O-N 2.83Å; L54-L57 HydrophobicContact CB-CD1 4.38Å; L54-L57 HydrophobicContact CD2-CD1 4.08Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 WeakPolarHBondContact O-CG 3.49Å; L54-L57 PolarHBondContact O-N 2.62Å; L54-A116 HydrophobicContact CD2-CB 3.64Å |
| 55 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -53.6 | -26.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F44 A47 F48 Q51 G52 P53 L57 E58 H59 | F44-A55 HydrophobicContact CD2-CB 3.99Å; F44-A55 HydrophobicContact CE2-CB 3.69Å; A47-A55 HydrophobicContact CB-CB 3.91Å; F48-A55 HydrophobicContact CB-CB 4.17Å; Q51-A55 HydrophobicContact CG-CB 3.93Å; G52-A55 VanDerWaalsContact O-CB 3.28Å; G52-A55 WeakPolarHBondContact O-CB 3.36Å; G52-A55 PolarHBondContact O-N 3.41Å; P53-A55 PolarHBondContact O-N 3.35Å; A55-L57 PolarHBondContact O-N 2.86Å; A55-E58 PolarHBondContact O-N 2.67Å; A55-H59 PolarHBondContact O-CD2 3.26Å; A55-H59 VanDerWaalsContact O-CD2 3.3Å; A55-H59 PolarHBondContact O-N 3.12Å |
| 56 | I | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -28.1 | 176.9 | -164.5 | 65.6 | 0 | 0 | 0 | 113 | F44 P53 L54 E58 H59 F60 V63 A116 M119 N120 | F44-I56 HydrophobicContact CE1-CD1 3.76Å; F44-I56 HydrophobicContact CE2-CB 4.49Å; F44-I56 HydrophobicContact CE2-CD1 4.46Å; F44-I56 HydrophobicContact CZ-CB 4.15Å; F44-I56 HydrophobicContact CZ-CD1 3.5Å; F44-I56 VanDerWaalsContact CZ-CD1 3.5Å; F44-I56 HydrophobicContact CZ-CG1 4.41Å; P53-I56 WeakPolarHBondContact O-CG2 3.46Å; P53-I56 PolarHBondContact O-N 3.05Å; L54-I56 PolarHBondContact O-N 2.83Å; I56-E58 PolarHBondContact O-N 2.87Å; I56-E58 VanDerWaalsContact O-N 3.13Å; I56-H59 PolarHBondContact O-N 3.09Å; I56-H59 VanDerWaalsContact O-N 3.16Å; I56-F60 HydrophobicContact CD1-CB 4.44Å; I56-F60 HydrophobicContact CD1-CD2 4.2Å; I56-F60 HydrophobicContact CG1-CB 4.41Å; I56-F60 HydrophobicContact CG1-CD2 4.1Å; I56-F60 WeakPolarHBondContact O-CB 3.21Å; I56-F60 PolarHBondContact O-N 3.42Å; I56-V63 HydrophobicContact CD1-CG2 4.03Å; I56-A116 HydrophobicContact CG2-CB 3.69Å; I56-M119 HydrophobicContact CG1-CB 3.74Å; I56-M119 HydrophobicContact CG1-SD 4.47Å; I56-M119 HydrophobicContact CG2-CB 4.02Å; I56-M119 HydrophobicContact CG2-SD 4.36Å; I56-N120 VanDerWaalsContact CB-OD1 3.3Å; I56-N120 WeakPolarHBondContact CB-OD1 3.34Å; I56-N120 WeakPolarHBondContact CG1-OD1 3.33Å; I56-N120 WeakPolarHBondContact CG2-ND2 3.29Å |
| 57 | L | 97 | Very high | 97.3 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -23.9 | -178.8 | -61.9 | 174.2 | 0 | 0 | 0 | 112.7 | F6 L54 A55 A112 N115 A116 M119 | F6-L57 HydrophobicContact CE2-CD2 4.41Å; F6-L57 HydrophobicContact CZ-CD2 3.93Å; L54-L57 HydrophobicContact CB-CD1 4.38Å; L54-L57 HydrophobicContact CD2-CD1 4.08Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 WeakPolarHBondContact O-CG 3.49Å; L54-L57 PolarHBondContact O-N 2.62Å; A55-L57 PolarHBondContact O-N 2.86Å; L57-A112 HydrophobicContact CD1-CB 3.95Å; L57-N115 HydrophobicContact CD2-CB 3.78Å; L57-A116 HydrophobicContact CD1-CB 4.44Å; L57-A116 HydrophobicContact CD2-CB 4.04Å; L57-A116 HydrophobicContact CG-CB 4.09Å; L57-M119 HydrophobicContact CD2-SD 3.98Å |
| 58 | E | 96.3 | Very high | 97.2 | Very high | 110 Ų | 110 | 35.1 Ų | 35.1 | 51% | 0.514 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -105.4 | -18 | 179.7 | -62.4 | 176.5 | 157.6 | 0 | 0 | 112.4 | Q51 A55 I56 | Q51-E58 PolarHBondContact NE2-OE2 3.04Å; A55-E58 PolarHBondContact O-N 2.67Å; I56-E58 PolarHBondContact O-N 2.87Å; I56-E58 VanDerWaalsContact O-N 3.13Å |
| 59 | H | 97.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -121.1 | 8.4 | -169.6 | -71 | -73.2 | 0 | 0 | 0 | 114.5 | F44 A47 A55 I56 D61 T62 | F44-H59 HydrophobicContact CB-CB 3.76Å; F44-H59 HydrophobicContact CD1-CB 3.86Å; F44-H59 HydrophobicContact CD2-CB 3.36Å; F44-H59 AromaticContact CD2-CD2 3.68Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 HydrophobicContact CE1-CB 4.35Å; F44-H59 HydrophobicContact CE2-CB 3.92Å; F44-H59 HydrophobicContact CG-CB 3.37Å; F44-H59 AromaticContact CG-CG 3.72Å; F44-H59 HydrophobicContact CZ-CB 4.4Å; A47-H59 VanDerWaalsContact CB-NE2 3.28Å; A47-H59 WeakPolarHBondContact CB-NE2 3.33Å; A55-H59 PolarHBondContact O-CD2 3.26Å; A55-H59 VanDerWaalsContact O-CD2 3.3Å; A55-H59 PolarHBondContact O-N 3.12Å; I56-H59 PolarHBondContact O-N 3.09Å; I56-H59 VanDerWaalsContact O-N 3.16Å; H59-D61 VanDerWaalsContact C-N 3.27Å; H59-D61 PolarHBondContact O-N 2.92Å; H59-T62 VanDerWaalsContact O-CB 3.27Å; H59-T62 WeakPolarHBondContact O-CB 3.25Å; H59-T62 PolarHBondContact O-N 3.37Å; H59-T62 VanDerWaalsContact O-N 3.1Å |
| 60 | F | 97.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 179.7 | -174.8 | -87.3 | 0 | 0 | 0 | 112.5 | F8 L17 Y26 V28 I56 T62 V63 Y64 M119 Y122 | F8-F60 HydrophobicContact CE2-CD1 4.49Å; F8-F60 HydrophobicContact CE2-CD2 4.44Å; F8-F60 AromaticContact CE2-CE1 3.97Å; F8-F60 HydrophobicContact CE2-CE1 3.97Å; F8-F60 AromaticContact CE2-CE2 3.87Å; F8-F60 HydrophobicContact CE2-CE2 3.87Å; F8-F60 AromaticContact CE2-CZ 3.6Å; F8-F60 HydrophobicContact CE2-CZ 3.6Å; F8-F60 HydrophobicContact CZ-CE1 4.35Å; F8-F60 AromaticContact CZ-CE2 3.74Å; F8-F60 HydrophobicContact CZ-CE2 3.74Å; F8-F60 AromaticContact CZ-CZ 3.56Å; F8-F60 HydrophobicContact CZ-CZ 3.56Å; L17-F60 HydrophobicContact CD1-CE1 3.81Å; L17-F60 HydrophobicContact CD1-CZ 3.92Å; Y26-F60 HydrophobicContact CD1-CD1 4.48Å; Y26-F60 AromaticContact CE1-CD1 3.48Å; Y26-F60 HydrophobicContact CE1-CD1 3.48Å; Y26-F60 VanDerWaalsContact CE1-CD1 3.48Å; Y26-F60 AromaticContact CE1-CE1 3.97Å; Y26-F60 HydrophobicContact CE1-CE1 3.97Å; Y26-F60 HydrophobicContact CE1-CG 4.23Å; Y26-F60 AromaticContact CZ-CD1 3.77Å; V28-F60 HydrophobicContact CG2-CD1 4.37Å; V28-F60 HydrophobicContact CG2-CE1 4.18Å; I56-F60 HydrophobicContact CD1-CB 4.44Å; I56-F60 HydrophobicContact CD1-CD2 4.2Å; I56-F60 HydrophobicContact CG1-CB 4.41Å; I56-F60 HydrophobicContact CG1-CD2 4.1Å; I56-F60 WeakPolarHBondContact O-CB 3.21Å; I56-F60 PolarHBondContact O-N 3.42Å; F60-T62 PolarHBondContact O-N 3.18Å; F60-V63 PolarHBondContact O-N 2.81Å; F60-Y64 HydrophobicContact CE1-CD2 4.47Å; F60-Y64 PolarHBondContact O-N 2.85Å; F60-M119 HydrophobicContact CB-CE 4.38Å; F60-M119 HydrophobicContact CB-SD 4.14Å; F60-M119 HydrophobicContact CD2-CB 3.71Å; F60-M119 HydrophobicContact CD2-CG 3.68Å; F60-M119 HydrophobicContact CD2-SD 4.04Å; F60-M119 HydrophobicContact CE2-CB 3.99Å; F60-M119 HydrophobicContact CE2-CG 3.98Å; F60-M119 HydrophobicContact CG-CE 4.36Å; F60-M119 HydrophobicContact CG-CG 4.36Å; F60-M119 HydrophobicContact CG-SD 4.24Å; F60-Y122 HydrophobicContact CE2-CD1 4.04Å; F60-Y122 AromaticContact CZ-CD1 3.78Å; F60-Y122 HydrophobicContact CZ-CD1 3.78Å; F60-Y122 AromaticContact CZ-CE1 3.97Å; F60-Y122 HydrophobicContact CZ-CE1 3.97Å |
| 61 | D | 97.1 | Very high | 97 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -31.9 | 176.8 | -77 | 12.4 | 0 | 0 | 0 | 112.8 | Y26 V28 R29 E30 H59 S65 | Y26-D61 PolarHBondContact OH-OD1 3.42Å; V28-D61 WeakPolarHBondContact CA-OD1 2.96Å; R29-D61 WeakPolarHBondContact CA-OD2 3.36Å; R29-D61 WeakPolarHBondContact CB-OD2 3.31Å; R29-D61 PolarHBondContact N-OD2 2.89Å; E30-D61 PolarHBondContact N-OD2 3.4Å; H59-D61 VanDerWaalsContact C-N 3.27Å; H59-D61 PolarHBondContact O-N 2.92Å; D61-S65 VanDerWaalsContact O-CB 3.29Å; D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 2.98Å; D61-S65 PolarHBondContact O-OG 3.45Å |
| 62 | T | 98 | Very high | 96.9 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 172.3 | -58 | 0 | 0 | 0 | 0 | 111.1 | Q40 H59 F60 S65 I66 | Q40-T62 HydrophobicContact CB-CG2 3.7Å; H59-T62 VanDerWaalsContact O-CB 3.27Å; H59-T62 WeakPolarHBondContact O-CB 3.25Å; H59-T62 PolarHBondContact O-N 3.37Å; H59-T62 VanDerWaalsContact O-N 3.1Å; F60-T62 PolarHBondContact O-N 3.18Å; T62-S65 PolarHBondContact O-N 3.45Å; T62-I66 HydrophobicContact CG2-CD1 4.16Å; T62-I66 WeakPolarHBondContact O-CG1 3.48Å; T62-I66 PolarHBondContact O-N 3.32Å; T62-I66 VanDerWaalsContact O-N 3.09Å |
| 63 | V | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | -178.8 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | F44 I56 F60 S65 I66 L67 L85 A123 | F44-V63 HydrophobicContact CD1-CG2 4.05Å; F44-V63 HydrophobicContact CE1-CG2 3.64Å; I56-V63 HydrophobicContact CD1-CG2 4.03Å; F60-V63 PolarHBondContact O-N 2.81Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.46Å; V63-I66 WeakPolarHBondContact O-CB 3.4Å; V63-I66 PolarHBondContact O-N 3.06Å; V63-L67 HydrophobicContact CG1-CD1 4.37Å; V63-L67 WeakPolarHBondContact O-CG 3.44Å; V63-L67 PolarHBondContact O-N 3.4Å; V63-L85 HydrophobicContact CG1-CD1 3.89Å; V63-L85 HydrophobicContact CG2-CD2 4.27Å; V63-A123 HydrophobicContact CG1-CB 3.79Å |
| 64 | Y | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.4 | -46 | 173.8 | -179.2 | -89.4 | 0 | 0 | 0 | 111.6 | P14 L17 L18 V28 V31 F60 I66 L67 H68 | P14-Y64 HydrophobicContact CB-CE2 3.96Å; P14-Y64 WeakPolarHBondContact O-CE2 3.43Å; P14-Y64 PolarHBondContact O-OH 3.35Å; L17-Y64 HydrophobicContact CB-CE2 4.21Å; L17-Y64 HydrophobicContact CD1-CD2 3.97Å; L17-Y64 HydrophobicContact CD1-CE2 4.1Å; L18-Y64 WeakPolarHBondContact CD1-OH 3.26Å; L18-Y64 HydrophobicContact CD2-CE1 4Å; L18-Y64 HydrophobicContact CG-CE1 4.44Å; L18-Y64 VanDerWaalsContact CG-OH 3.31Å; L18-Y64 WeakPolarHBondContact CG-OH 3.39Å; V28-Y64 HydrophobicContact CB-CD1 4.29Å; V28-Y64 HydrophobicContact CB-CE1 4.49Å; V28-Y64 HydrophobicContact CB-CG 4.4Å; V28-Y64 HydrophobicContact CG1-CD1 3.61Å; V28-Y64 HydrophobicContact CG1-CE1 3.95Å; V28-Y64 HydrophobicContact CG1-CG 4.09Å; V28-Y64 HydrophobicContact CG2-CD1 3.87Å; V28-Y64 HydrophobicContact CG2-CD2 3.61Å; V28-Y64 HydrophobicContact CG2-CE1 4.3Å; V28-Y64 HydrophobicContact CG2-CE2 4.04Å; V28-Y64 HydrophobicContact CG2-CG 3.5Å; V31-Y64 HydrophobicContact CG2-CD1 4.26Å; V31-Y64 HydrophobicContact CG2-CE1 3.8Å; F60-Y64 HydrophobicContact CE1-CD2 4.47Å; F60-Y64 PolarHBondContact O-N 2.85Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3.09Å; Y64-L67 WeakPolarHBondContact O-CB 3.43Å; Y64-L67 PolarHBondContact O-N 3.22Å; Y64-H68 HydrophobicContact CE1-CB 4.24Å; Y64-H68 WeakPolarHBondContact O-CB 3.27Å; Y64-H68 PolarHBondContact O-N 3.45Å |
| 65 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | -180 | -57 | 0 | 0 | 0 | 0 | 112.3 | L32 D61 T62 V63 H68 H69 | L32-S65 PolarHBondContact N-OG 3.27Å; D61-S65 VanDerWaalsContact O-CB 3.29Å; D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 2.98Å; D61-S65 PolarHBondContact O-OG 3.45Å; T62-S65 PolarHBondContact O-N 3.45Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.46Å; S65-H68 PolarHBondContact O-N 3.14Å; S65-H69 WeakPolarHBondContact O-CB 3.45Å; S65-H69 PolarHBondContact O-CD2 2.73Å; S65-H69 PolarHBondContact O-N 3.26Å |
| 66 | I | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 172.8 | -71.3 | 164.1 | 0 | 0 | 0 | 110.9 | L37 T62 V63 Y64 H69 F70 I73 T81 | L37-I66 HydrophobicContact CB-CG1 4.28Å; L37-I66 HydrophobicContact CD1-CG1 4.12Å; L37-I66 HydrophobicContact CD2-CG1 4.24Å; L37-I66 HydrophobicContact CG-CG1 4.45Å; T62-I66 HydrophobicContact CG2-CD1 4.16Å; T62-I66 WeakPolarHBondContact O-CG1 3.48Å; T62-I66 PolarHBondContact O-N 3.32Å; T62-I66 VanDerWaalsContact O-N 3.09Å; V63-I66 WeakPolarHBondContact O-CB 3.4Å; V63-I66 PolarHBondContact O-N 3.06Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3.09Å; I66-H69 CarbonylContact O-C 3.39Å; I66-H69 PolarHBondContact O-N 3.37Å; I66-F70 VanDerWaalsContact O-CA 3.26Å; I66-F70 WeakPolarHBondContact O-CA 3.42Å; I66-F70 PolarHBondContact O-N 2.91Å; I66-I73 HydrophobicContact CB-CD1 4.43Å; I66-I73 HydrophobicContact CG2-CD1 3.65Å; I66-T81 HydrophobicContact CD1-CG2 4.01Å; I66-T81 HydrophobicContact CG2-CG2 4.24Å |
| 67 | L | 96.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.7 | -68.5 | 168.9 | 0 | 0 | 0 | 111.5 | V63 Y64 H69 F70 R126 L127 | V63-L67 HydrophobicContact CG1-CD1 4.37Å; V63-L67 WeakPolarHBondContact O-CG 3.44Å; V63-L67 PolarHBondContact O-N 3.4Å; Y64-L67 WeakPolarHBondContact O-CB 3.43Å; Y64-L67 PolarHBondContact O-N 3.22Å; L67-H69 VanDerWaalsContact C-N 3.31Å; L67-H69 PolarHBondContact O-N 3.05Å; L67-F70 VanDerWaalsContact O-CB 3.25Å; L67-F70 WeakPolarHBondContact O-CB 3.13Å; L67-F70 PolarHBondContact O-N 3.09Å; L67-R126 HydrophobicContact CD1-CB 3.77Å; L67-R126 HydrophobicContact CD2-CB 4.01Å; L67-L127 HydrophobicContact CD2-CB 4.01Å; L67-L127 HydrophobicContact CD2-CD1 3.89Å |
| 68 | H | 96.6 | Very high | 96.6 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.1 | -179.5 | -92.5 | 0 | 0 | 0 | 112 | V31 Y64 S65 | V31-H68 HydrophobicContact CG1-CB 4.31Å; Y64-H68 HydrophobicContact CE1-CB 4.24Å; Y64-H68 WeakPolarHBondContact O-CB 3.27Å; Y64-H68 PolarHBondContact O-N 3.45Å; S65-H68 PolarHBondContact O-N 3.14Å |
| 69 | H | 96.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 13 | 179.5 | -66.6 | -60.5 | 0 | 0 | 0 | 114 | V34 L37 S65 I66 L67 R71 S72 I73 | V34-H69 HydrophobicContact CG2-CB 3.89Å; L37-H69 HydrophobicContact CD1-CB 4.41Å; S65-H69 WeakPolarHBondContact O-CB 3.45Å; S65-H69 PolarHBondContact O-CD2 2.73Å; S65-H69 PolarHBondContact O-N 3.26Å; I66-H69 CarbonylContact O-C 3.39Å; I66-H69 PolarHBondContact O-N 3.37Å; L67-H69 VanDerWaalsContact C-N 3.31Å; L67-H69 PolarHBondContact O-N 3.05Å; H69-R71 PolarHBondContact O-N 3.15Å; H69-S72 PolarHBondContact O-N 2.91Å; H69-S72 PolarHBondContact O-OG 3.45Å; H69-I73 HydrophobicContact CB-CG2 3.78Å; H69-I73 WeakPolarHBondContact O-CG2 3.27Å; H69-I73 PolarHBondContact O-N 2.98Å; H69-I73 VanDerWaalsContact O-N 3.14Å |
| 70 | F | 96.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.9 | -165.5 | -173.3 | -94.6 | 0 | 0 | 0 | 114.2 | I66 L67 K78 L127 S130 F131 M134 | I66-F70 VanDerWaalsContact O-CA 3.26Å; I66-F70 WeakPolarHBondContact O-CA 3.42Å; I66-F70 PolarHBondContact O-N 2.91Å; L67-F70 VanDerWaalsContact O-CB 3.25Å; L67-F70 WeakPolarHBondContact O-CB 3.13Å; L67-F70 PolarHBondContact O-N 3.09Å; F70-K78 HydrophobicContact CD2-CD 4.22Å; F70-K78 HydrophobicContact CD2-CG 4.25Å; F70-K78 HydrophobicContact CE1-CD 4.16Å; F70-K78 HydrophobicContact CE2-CB 3.99Å; F70-K78 HydrophobicContact CE2-CD 3.79Å; F70-K78 HydrophobicContact CE2-CG 3.91Å; F70-K78 HydrophobicContact CZ-CB 4.48Å; F70-K78 HydrophobicContact CZ-CD 3.77Å; F70-K78 HydrophobicContact CZ-CG 4.38Å; F70-K78 WeakPolarHBondContact O-CE 3.36Å; F70-K78 PolarHBondContact O-NZ 3.14Å; F70-L127 HydrophobicContact CD2-CD1 3.88Å; F70-L127 HydrophobicContact CE2-CD1 3.57Å; F70-S130 VanDerWaalsContact CE1-C 3.45Å; F70-S130 VanDerWaalsContact CE1-O 3.24Å; F70-S130 WeakPolarHBondContact CE1-O 3.45Å; F70-F131 HydrophobicContact CE2-CD2 4.04Å; F70-F131 AromaticContact CE2-CE2 3.9Å; F70-F131 HydrophobicContact CE2-CE2 3.9Å; F70-F131 HydrophobicContact CE2-CG 4.49Å; F70-F131 HydrophobicContact CE2-CZ 4.29Å; F70-F131 HydrophobicContact CZ-CB 4.43Å; F70-F131 AromaticContact CZ-CD1 3.99Å; F70-F131 HydrophobicContact CZ-CD1 3.99Å; F70-F131 AromaticContact CZ-CD2 3.78Å; F70-F131 HydrophobicContact CZ-CD2 3.78Å; F70-F131 HydrophobicContact CZ-CE1 4.2Å; F70-F131 AromaticContact CZ-CE2 3.97Å; F70-F131 HydrophobicContact CZ-CE2 3.97Å; F70-F131 AromaticContact CZ-CG 3.79Å; F70-F131 HydrophobicContact CZ-CG 3.79Å; F70-F131 HydrophobicContact CZ-CZ 4.2Å; F70-M134 HydrophobicContact CE1-CB 4.2Å; F70-M134 HydrophobicContact CE1-SD 4.01Å |
| 71 | R | 93.8 | Very high | 96.8 | Very high | 187 Ų | 187 | 46.5 Ų | 46.5 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.1 | 178.1 | -66.5 | -173.5 | -179.3 | 166.1 | 5.5 | 113.8 | H69 Q137 | H69-R71 PolarHBondContact O-N 3.15Å; R71-Q137 VanDerWaalsContact NH2-NE2 3.17Å |
| 72 | S | 93.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 47 Ų | 47 | 57% | 0.573 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -13 | -173 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | H69 | H69-S72 PolarHBondContact O-N 2.91Å; H69-S72 PolarHBondContact O-OG 3.45Å |
| 73 | I | 96.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -87 | 156.2 | 179.4 | 63.4 | -178.5 | 0 | 0 | 0 | 112.2 | V34 L37 I66 H69 L77 K78 | V34-I73 HydrophobicContact CG1-CG2 3.98Å; V34-I73 HydrophobicContact CG2-CG2 4.14Å; L37-I73 HydrophobicContact CD1-CG2 3.74Å; I66-I73 HydrophobicContact CB-CD1 4.43Å; I66-I73 HydrophobicContact CG2-CD1 3.65Å; H69-I73 HydrophobicContact CB-CG2 3.78Å; H69-I73 WeakPolarHBondContact O-CG2 3.27Å; H69-I73 PolarHBondContact O-N 2.98Å; H69-I73 VanDerWaalsContact O-N 3.14Å; I73-L77 HydrophobicContact CB-CD2 4.21Å; I73-L77 HydrophobicContact CD1-CD2 4.24Å; I73-L77 HydrophobicContact CD1-CG 4.44Å; I73-L77 HydrophobicContact CG2-CD2 4.38Å; I73-K78 HydrophobicContact CD1-CG 3.8Å; I73-K78 HydrophobicContact CG1-CD 4.29Å; I73-K78 HydrophobicContact CG1-CG 3.75Å; I73-K78 WeakPolarHBondContact O-CE 3.16Å; I73-K78 PolarHBondContact O-NZ 2.82Å |
| 74 | E | 95.1 | Very high | 96.9 | Very high | 148 Ų | 148 | 52.6 Ų | 52.6 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | trans | -61.8 | 143 | 179.3 | -63.7 | -178.6 | 174.2 | 0 | 0 | 111.9 | G76 L77 K78 | E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.08Å; E74-L77 PolarHBondContact O-N 3.23Å; E74-L77 VanDerWaalsContact O-N 3.14Å; E74-K78 PolarHBondContact O-N 2.89Å | ||
| 75 | P | 94.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.6 | -42.4 | 179.4 | -27 | 34.9 | 0 | 0 | 0 | 113.7 | L77 K78 E79 | P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 2.89Å; P75-K78 WeakPolarHBondContact O-CB 3.09Å; P75-K78 PolarHBondContact O-N 2.94Å; P75-E79 PolarHBondContact O-N 3.31Å |
| 76 | G | 96.9 | Very high | 96.9 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E74 K78 E79 D80 | E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.08Å; G76-K78 VanDerWaalsContact C-N 3.3Å; G76-K78 PolarHBondContact O-N 3.39Å; G76-E79 PolarHBondContact O-N 2.91Å; G76-D80 WeakPolarHBondContact O-CB 3.33Å; G76-D80 VanDerWaalsContact O-CG 3.24Å; G76-D80 PolarHBondContact O-N 2.73Å |
| 77 | L | 97.4 | Very high | 97 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 176.5 | -178.9 | 61.2 | 0 | 0 | 0 | 112 | L37 L41 I73 E74 P75 T81 | L37-L77 HydrophobicContact CB-CD2 3.74Å; L37-L77 HydrophobicContact CD1-CD2 4.35Å; L41-L77 HydrophobicContact CB-CD1 4.46Å; L41-L77 HydrophobicContact CD2-CD1 3.61Å; I73-L77 HydrophobicContact CB-CD2 4.21Å; I73-L77 HydrophobicContact CD1-CD2 4.24Å; I73-L77 HydrophobicContact CD1-CG 4.44Å; I73-L77 HydrophobicContact CG2-CD2 4.38Å; E74-L77 PolarHBondContact O-N 3.23Å; E74-L77 VanDerWaalsContact O-N 3.14Å; P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 2.89Å; L77-T81 WeakPolarHBondContact O-CB 3.36Å; L77-T81 PolarHBondContact O-N 3.2Å; L77-T81 VanDerWaalsContact O-N 3.08Å; L77-T81 PolarHBondContact O-OG1 3.23Å |
| 78 | K | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -47.2 | 177.7 | -51.8 | 175.5 | -161.5 | -169.2 | 0 | 110.4 | F70 I73 E74 P75 G76 T81 L82 F131 M134 | F70-K78 HydrophobicContact CD2-CD 4.22Å; F70-K78 HydrophobicContact CD2-CG 4.25Å; F70-K78 HydrophobicContact CE1-CD 4.16Å; F70-K78 HydrophobicContact CE2-CB 3.99Å; F70-K78 HydrophobicContact CE2-CD 3.79Å; F70-K78 HydrophobicContact CE2-CG 3.91Å; F70-K78 HydrophobicContact CZ-CB 4.48Å; F70-K78 HydrophobicContact CZ-CD 3.77Å; F70-K78 HydrophobicContact CZ-CG 4.38Å; F70-K78 WeakPolarHBondContact O-CE 3.36Å; F70-K78 PolarHBondContact O-NZ 3.14Å; I73-K78 HydrophobicContact CD1-CG 3.8Å; I73-K78 HydrophobicContact CG1-CD 4.29Å; I73-K78 HydrophobicContact CG1-CG 3.75Å; I73-K78 WeakPolarHBondContact O-CE 3.16Å; I73-K78 PolarHBondContact O-NZ 2.82Å; E74-K78 PolarHBondContact O-N 2.89Å; P75-K78 WeakPolarHBondContact O-CB 3.09Å; P75-K78 PolarHBondContact O-N 2.94Å; G76-K78 VanDerWaalsContact C-N 3.3Å; G76-K78 PolarHBondContact O-N 3.39Å; K78-T81 PolarHBondContact O-N 3.23Å; K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 PolarHBondContact O-N 3.39Å; K78-F131 HydrophobicContact CB-CE1 4.05Å; K78-F131 HydrophobicContact CB-CE2 4.15Å; K78-F131 HydrophobicContact CB-CZ 3.43Å; K78-F131 VanDerWaalsContact CB-CZ 3.43Å; K78-M134 PolarHBondContact NZ-SD 2.78Å; K78-M134 VanDerWaalsContact NZ-SD 3.45Å |
| 79 | E | 97.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | -179.8 | -70.1 | 171.5 | -176.7 | 0 | 0 | 111.1 | P75 G76 T81 L82 E83 | P75-E79 PolarHBondContact O-N 3.31Å; G76-E79 PolarHBondContact O-N 2.91Å; E79-T81 VanDerWaalsContact C-N 3.28Å; E79-T81 PolarHBondContact O-N 3.02Å; E79-L82 PolarHBondContact O-N 3.1Å; E79-L82 VanDerWaalsContact O-N 3.1Å; E79-E83 PolarHBondContact O-N 3.07Å |
| 80 | D | 98.2 | Very high | 97.2 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 175.5 | -77 | -15.9 | 0 | 0 | 0 | 111.6 | L41 G76 F84 | L41-D80 HydrophobicContact CD2-CB 4.09Å; G76-D80 WeakPolarHBondContact O-CB 3.33Å; G76-D80 VanDerWaalsContact O-CG 3.24Å; G76-D80 PolarHBondContact O-N 2.73Å; D80-F84 WeakPolarHBondContact O-CB 3.48Å; D80-F84 PolarHBondContact O-N 2.98Å |
| 81 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 111 | L41 I66 L77 K78 E79 F84 L85 L127 | L41-T81 HydrophobicContact CD1-CG2 4.42Å; L41-T81 WeakPolarHBondContact CD2-OG1 3.43Å; I66-T81 HydrophobicContact CD1-CG2 4.01Å; I66-T81 HydrophobicContact CG2-CG2 4.24Å; L77-T81 WeakPolarHBondContact O-CB 3.36Å; L77-T81 PolarHBondContact O-N 3.2Å; L77-T81 VanDerWaalsContact O-N 3.08Å; L77-T81 PolarHBondContact O-OG1 3.23Å; K78-T81 PolarHBondContact O-N 3.23Å; E79-T81 VanDerWaalsContact C-N 3.28Å; E79-T81 PolarHBondContact O-N 3.02Å; T81-F84 PolarHBondContact O-N 2.85Å; T81-L85 HydrophobicContact CG2-CD1 4.13Å; T81-L85 HydrophobicContact CG2-CG 4.31Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.05Å; T81-L127 HydrophobicContact CG2-CD2 3.85Å |
| 82 | L | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -50 | 179.8 | 178.1 | 61.7 | 0 | 0 | 0 | 111.8 | K78 E79 F84 L85 K86 L124 L127 L128 F131 | K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 PolarHBondContact O-N 3.39Å; E79-L82 PolarHBondContact O-N 3.1Å; E79-L82 VanDerWaalsContact O-N 3.1Å; L82-F84 PolarHBondContact O-N 2.89Å; L82-L85 PolarHBondContact O-N 3.36Å; L82-K86 HydrophobicContact CD1-CD 4.32Å; L82-K86 HydrophobicContact CD1-CG 4.42Å; L82-K86 HydrophobicContact CG-CD 4.23Å; L82-K86 VanDerWaalsContact O-CG 3.3Å; L82-K86 WeakPolarHBondContact O-CG 3.26Å; L82-K86 PolarHBondContact O-N 3.08Å; L82-L124 HydrophobicContact CD1-CD1 3.78Å; L82-L127 VanDerWaalsContact CA-CD2 3.47Å; L82-L127 HydrophobicContact CB-CD2 3.79Å; L82-L127 HydrophobicContact CD1-CD2 4.08Å; L82-L127 HydrophobicContact CD1-CG 4.4Å; L82-L128 HydrophobicContact CD1-CD2 3.77Å; L82-L128 HydrophobicContact CD1-CG 4.13Å; L82-L128 HydrophobicContact CD2-CD2 4.43Å; L82-F131 HydrophobicContact CB-CE2 3.94Å; L82-F131 HydrophobicContact CB-CZ 4.41Å; L82-F131 HydrophobicContact CD2-CD2 4.1Å; L82-F131 HydrophobicContact CD2-CE2 3.81Å; L82-F131 HydrophobicContact CD2-CZ 4.23Å; L82-F131 HydrophobicContact CG-CE2 4.35Å |
| 83 | E | 98.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 176.3 | -73.5 | -160.6 | 172.1 | 0 | 0 | 111.7 | E79 K87 | E79-E83 PolarHBondContact O-N 3.07Å; E83-K87 WeakPolarHBondContact O-CG 3.4Å; E83-K87 PolarHBondContact O-N 3.3Å; E83-K87 VanDerWaalsContact O-N 3.16Å; E83-K87 IonicContact OE2-NZ 3.07Å |
| 84 | F | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 178.9 | 177.8 | -121.6 | 0 | 0 | 0 | 111.9 | L41 F44 Q45 F48 D80 T81 L82 K86 K87 V88 | L41-F84 HydrophobicContact CD1-CD1 3.92Å; L41-F84 HydrophobicContact CD1-CE1 4.48Å; F44-F84 HydrophobicContact CB-CE1 4.46Å; F44-F84 HydrophobicContact CD1-CD1 4.31Å; F44-F84 AromaticContact CD1-CE1 3.51Å; F44-F84 HydrophobicContact CD1-CE1 3.51Å; F44-F84 HydrophobicContact CD1-CZ 4.42Å; F44-F84 HydrophobicContact CD2-CE1 4.13Å; F44-F84 HydrophobicContact CD2-CZ 4.28Å; F44-F84 HydrophobicContact CE1-CD1 4.33Å; F44-F84 AromaticContact CE1-CE1 3.56Å; F44-F84 HydrophobicContact CE1-CE1 3.56Å; F44-F84 HydrophobicContact CE1-CZ 4.44Å; F44-F84 HydrophobicContact CE2-CE1 4.16Å; F44-F84 HydrophobicContact CE2-CZ 4.3Å; F44-F84 AromaticContact CG-CE1 3.77Å; F44-F84 HydrophobicContact CG-CE1 3.77Å; F44-F84 HydrophobicContact CG-CZ 4.3Å; F44-F84 AromaticContact CZ-CE1 3.87Å; F44-F84 HydrophobicContact CZ-CE1 3.87Å; F44-F84 HydrophobicContact CZ-CZ 4.35Å; Q45-F84 HydrophobicContact CB-CE2 4.24Å; Q45-F84 HydrophobicContact CB-CZ 4.31Å; Q45-F84 HydrophobicContact CG-CD1 4.07Å; Q45-F84 HydrophobicContact CG-CD2 3.75Å; Q45-F84 HydrophobicContact CG-CE1 4.02Å; Q45-F84 HydrophobicContact CG-CE2 3.72Å; Q45-F84 HydrophobicContact CG-CG 3.93Å; Q45-F84 HydrophobicContact CG-CZ 3.86Å; F48-F84 HydrophobicContact CB-CE2 4Å; F48-F84 HydrophobicContact CB-CZ 3.7Å; F48-F84 AromaticContact CD1-CE2 3.76Å; F48-F84 HydrophobicContact CD1-CE2 3.76Å; F48-F84 HydrophobicContact CD1-CZ 4.31Å; F48-F84 HydrophobicContact CE1-CE2 4.47Å; F48-F84 AromaticContact CG-CE2 3.92Å; F48-F84 HydrophobicContact CG-CE2 3.92Å; F48-F84 HydrophobicContact CG-CZ 4Å; D80-F84 WeakPolarHBondContact O-CB 3.48Å; D80-F84 PolarHBondContact O-N 2.98Å; T81-F84 PolarHBondContact O-N 2.85Å; L82-F84 PolarHBondContact O-N 2.89Å; F84-K86 VanDerWaalsContact C-N 3.3Å; F84-K86 PolarHBondContact O-N 3.48Å; F84-K87 WeakPolarHBondContact O-CA 3.32Å; F84-K87 WeakPolarHBondContact O-CB 3.17Å; F84-K87 PolarHBondContact O-N 2.66Å; F84-V88 HydrophobicContact CD1-CG2 4.4Å; F84-V88 HydrophobicContact CD2-CG2 4.18Å; F84-V88 HydrophobicContact CE1-CG2 3.97Å; F84-V88 HydrophobicContact CE2-CG2 3.71Å; F84-V88 HydrophobicContact CG-CG2 4.5Å; F84-V88 HydrophobicContact CZ-CG2 3.6Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.36Å |
| 85 | L | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 178.8 | -70.4 | -179.5 | 0 | 0 | 0 | 112.6 | F44 V63 T81 L82 K87 V88 V89 A123 L124 L127 | F44-L85 HydrophobicContact CE1-CD2 4.22Å; V63-L85 HydrophobicContact CG1-CD1 3.89Å; V63-L85 HydrophobicContact CG2-CD2 4.27Å; T81-L85 HydrophobicContact CG2-CD1 4.13Å; T81-L85 HydrophobicContact CG2-CG 4.31Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.05Å; L82-L85 PolarHBondContact O-N 3.36Å; L85-K87 VanDerWaalsContact C-N 3.3Å; L85-K87 PolarHBondContact O-N 2.94Å; L85-V88 PolarHBondContact O-N 3.39Å; L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 3.01Å; L85-A123 HydrophobicContact CD1-CB 4.03Å; L85-A123 HydrophobicContact CD2-CB 4.42Å; L85-L124 HydrophobicContact CB-CB 4.44Å; L85-L124 HydrophobicContact CB-CD1 4.08Å; L85-L127 HydrophobicContact CD1-CD2 3.81Å |
| 86 | K | 98.4 | Very high | 97.6 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 171.2 | -72.9 | 172 | 67.1 | 178.2 | 0 | 111.6 | L82 F84 S90 L124 | L82-K86 HydrophobicContact CD1-CD 4.32Å; L82-K86 HydrophobicContact CD1-CG 4.42Å; L82-K86 HydrophobicContact CG-CD 4.23Å; L82-K86 VanDerWaalsContact O-CG 3.3Å; L82-K86 WeakPolarHBondContact O-CG 3.26Å; L82-K86 PolarHBondContact O-N 3.08Å; F84-K86 VanDerWaalsContact C-N 3.3Å; F84-K86 PolarHBondContact O-N 3.48Å; K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.33Å; K86-L124 HydrophobicContact CG-CD1 3.84Å |
| 87 | K | 98.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.8 | -69.2 | 163.2 | -175.5 | 159.3 | 0 | 111.2 | E83 F84 L85 R91 | E83-K87 WeakPolarHBondContact O-CG 3.4Å; E83-K87 PolarHBondContact O-N 3.3Å; E83-K87 VanDerWaalsContact O-N 3.16Å; E83-K87 IonicContact OE2-NZ 3.07Å; F84-K87 WeakPolarHBondContact O-CA 3.32Å; F84-K87 WeakPolarHBondContact O-CB 3.17Å; F84-K87 PolarHBondContact O-N 2.66Å; L85-K87 VanDerWaalsContact C-N 3.3Å; L85-K87 PolarHBondContact O-N 2.94Å; K87-R91 WeakPolarHBondContact O-CB 3.47Å; K87-R91 PolarHBondContact O-N 2.88Å |
| 88 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | F48 P53 F84 L85 R91 H92 N120 | F48-V88 HydrophobicContact CD2-CB 4.4Å; F48-V88 HydrophobicContact CD2-CG1 4.22Å; F48-V88 HydrophobicContact CD2-CG2 3.73Å; F48-V88 HydrophobicContact CE2-CB 4.11Å; F48-V88 HydrophobicContact CE2-CG1 4.06Å; F48-V88 HydrophobicContact CE2-CG2 3.82Å; F48-V88 HydrophobicContact CG-CG2 4.15Å; F48-V88 HydrophobicContact CZ-CG2 4.28Å; P53-V88 HydrophobicContact CB-CG1 4.29Å; F84-V88 HydrophobicContact CD1-CG2 4.4Å; F84-V88 HydrophobicContact CD2-CG2 4.18Å; F84-V88 HydrophobicContact CE1-CG2 3.97Å; F84-V88 HydrophobicContact CE2-CG2 3.71Å; F84-V88 HydrophobicContact CG-CG2 4.5Å; F84-V88 HydrophobicContact CZ-CG2 3.6Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.36Å; L85-V88 PolarHBondContact O-N 3.39Å; V88-R91 PolarHBondContact O-N 2.91Å; V88-H92 PolarHBondContact O-N 3.45Å; V88-N120 WeakPolarHBondContact CG1-OD1 3.45Å |
| 89 | V | 98.2 | Very high | 97.1 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L85 R91 H92 S93 N120 L124 | L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 3.01Å; V89-R91 PolarHBondContact O-N 3.3Å; V89-H92 PolarHBondContact O-N 3.38Å; V89-S93 WeakPolarHBondContact O-CB 3.28Å; V89-S93 PolarHBondContact O-N 2.99Å; V89-N120 HydrophobicContact CG2-CB 4.01Å; V89-L124 HydrophobicContact CB-CD2 4.01Å; V89-L124 HydrophobicContact CG1-CD2 4.2Å; V89-L124 HydrophobicContact CG2-CB 4.13Å; V89-L124 HydrophobicContact CG2-CD2 3.8Å |
| 90 | S | 98 | Very high | 96.8 | Very high | 62 Ų | 62 | 62 Ų | 62 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | K86 S93 Q94 | K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.33Å; S90-S93 PolarHBondContact O-N 3.02Å; S90-Q94 WeakPolarHBondContact O-CG 3.35Å; S90-Q94 PolarHBondContact O-N 3.01Å; S90-Q94 VanDerWaalsContact O-N 3.13Å |
| 91 | R | 97.8 | Very high | 96.6 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.5 | -178.1 | 62.4 | -178.5 | -158.1 | 4.7 | 111.8 | F48 P53 K87 V88 V89 S93 Q94 E95 | F48-R91 HydrophobicContact CE2-CB 4.29Å; F48-R91 HydrophobicContact CE2-CG 4.34Å; F48-R91 HydrophobicContact CZ-CB 3.89Å; F48-R91 HydrophobicContact CZ-CG 4.02Å; P53-R91 HydrophobicContact CG-CB 4.31Å; P53-R91 HydrophobicContact CG-CG 4.01Å; K87-R91 WeakPolarHBondContact O-CB 3.47Å; K87-R91 PolarHBondContact O-N 2.88Å; V88-R91 PolarHBondContact O-N 2.91Å; V89-R91 PolarHBondContact O-N 3.3Å; R91-S93 VanDerWaalsContact C-N 3.31Å; R91-S93 PolarHBondContact O-N 3.1Å; R91-Q94 PolarHBondContact O-N 3.18Å; R91-E95 IonicContact CZ-OE1 3.17Å; R91-E95 IonicContact NE-OE1 2.68Å; R91-E95 PolarHBondContact NE-OE1 3.3Å; R91-E95 IonicContact NH2-OE1 2.83Å; R91-E95 PolarHBondContact NH2-OE1 2.92Å; R91-E95 PolarHBondContact O-N 3.28Å |
| 92 | H | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 178.1 | -152.9 | 170 | 0 | 0 | 0 | 111 | P53 V88 V89 Q94 E95 L96 H113 L117 N120 | P53-H92 HydrophobicContact CB-CB 3.6Å; P53-H92 VanDerWaalsContact CB-CG 3.46Å; P53-H92 HydrophobicContact CG-CB 3.65Å; V88-H92 PolarHBondContact O-N 3.45Å; V89-H92 PolarHBondContact O-N 3.38Å; H92-Q94 VanDerWaalsContact C-N 3.26Å; H92-Q94 PolarHBondContact O-N 3.16Å; H92-E95 PolarHBondContact O-N 3.13Å; H92-E95 VanDerWaalsContact O-N 3.09Å; H92-L96 WeakPolarHBondContact O-CG 3.31Å; H92-L96 PolarHBondContact O-N 3.28Å; H92-H113 AromaticContact NE2-ND1 3.75Å; H92-L117 PolarHBondContact CE1-N 3.23Å; H92-N120 PolarHBondContact ND1-ND2 3.2Å |
| 93 | S | 97.3 | Very high | 96 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | V89 S90 R91 | V89-S93 WeakPolarHBondContact O-CB 3.28Å; V89-S93 PolarHBondContact O-N 2.99Å; S90-S93 PolarHBondContact O-N 3.02Å; R91-S93 VanDerWaalsContact C-N 3.31Å; R91-S93 PolarHBondContact O-N 3.1Å |
| 94 | Q | 96.8 | Very high | 95.8 | Very high | 132 Ų | 132 | 69.9 Ų | 69.9 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.9 | -33.3 | 177.1 | -69.8 | 167.2 | 2.9 | 0 | 0 | 112.1 | S90 R91 H92 | S90-Q94 WeakPolarHBondContact O-CG 3.35Å; S90-Q94 PolarHBondContact O-N 3.01Å; S90-Q94 VanDerWaalsContact O-N 3.13Å; R91-Q94 PolarHBondContact O-N 3.18Å; H92-Q94 VanDerWaalsContact C-N 3.26Å; H92-Q94 PolarHBondContact O-N 3.16Å |
| 95 | E | 95 | Very high | 95.5 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -83.2 | -20.1 | 179.8 | -66.6 | 174.8 | 167 | 0 | 0 | 112.4 | P53 R91 H92 S97 S98 I99 | P53-E95 VanDerWaalsContact CD-OE2 3.24Å; P53-E95 WeakPolarHBondContact CD-OE2 3.3Å; P53-E95 WeakPolarHBondContact CG-OE2 3.35Å; R91-E95 IonicContact CZ-OE1 3.17Å; R91-E95 IonicContact NE-OE1 2.68Å; R91-E95 PolarHBondContact NE-OE1 3.3Å; R91-E95 IonicContact NH2-OE1 2.83Å; R91-E95 PolarHBondContact NH2-OE1 2.92Å; R91-E95 PolarHBondContact O-N 3.28Å; H92-E95 PolarHBondContact O-N 3.13Å; H92-E95 VanDerWaalsContact O-N 3.09Å; E95-S97 VanDerWaalsContact C-N 3.34Å; E95-S97 PolarHBondContact O-N 3.21Å; E95-S98 PolarHBondContact O-N 3.3Å; E95-S98 VanDerWaalsContact O-N 3.17Å; E95-S98 PolarHBondContact O-OG 2.74Å; E95-I99 HydrophobicContact CB-CD1 3.91Å; E95-I99 WeakPolarHBondContact O-CD1 3.46Å; E95-I99 VanDerWaalsContact O-CG1 3.31Å; E95-I99 WeakPolarHBondContact O-CG1 3.47Å; E95-I99 PolarHBondContact O-N 3.33Å |
| 96 | L | 93.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 73 Ų | 73 | 23% | 0.225 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -54.1 | -44.9 | -174.7 | -84.6 | 178.4 | 0 | 0 | 0 | 113.5 | H92 S98 I99 L100 L117 | H92-L96 WeakPolarHBondContact O-CG 3.31Å; H92-L96 PolarHBondContact O-N 3.28Å; L96-S98 VanDerWaalsContact C-N 3.35Å; L96-S98 PolarHBondContact O-N 3.29Å; L96-I99 PolarHBondContact O-N 3.04Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.33Å; L96-L100 PolarHBondContact O-N 3.2Å; L96-L117 HydrophobicContact CD1-CD1 4.12Å; L96-L117 HydrophobicContact CD1-CD2 4.45Å; L96-L117 HydrophobicContact CD2-CD1 4.34Å; L96-L117 HydrophobicContact CD2-CD2 4.14Å |
| 97 | S | 93.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | -178.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | E95 I99 L100 D101 | E95-S97 VanDerWaalsContact C-N 3.34Å; E95-S97 PolarHBondContact O-N 3.21Å; S97-I99 VanDerWaalsContact C-N 3.33Å; S97-I99 PolarHBondContact O-N 3.32Å; S97-L100 PolarHBondContact O-N 3.01Å; S97-D101 WeakPolarHBondContact O-CB 3.35Å; S97-D101 VanDerWaalsContact O-CG 3.25Å; S97-D101 PolarHBondContact O-N 3.06Å |
| 98 | S | 94.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.8 | -34.2 | 179.5 | 83.9 | 0 | 0 | 0 | 0 | 112.3 | E95 L96 L100 D102 | E95-S98 PolarHBondContact O-N 3.3Å; E95-S98 VanDerWaalsContact O-N 3.17Å; E95-S98 PolarHBondContact O-OG 2.74Å; L96-S98 VanDerWaalsContact C-N 3.35Å; L96-S98 PolarHBondContact O-N 3.29Å; S98-L100 VanDerWaalsContact C-N 3.33Å; S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.48Å |
| 99 | I | 93.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.9 | -66.4 | 159.2 | 0 | 0 | 0 | 110.5 | E95 L96 S97 L105 H113 | E95-I99 HydrophobicContact CB-CD1 3.91Å; E95-I99 WeakPolarHBondContact O-CD1 3.46Å; E95-I99 VanDerWaalsContact O-CG1 3.31Å; E95-I99 WeakPolarHBondContact O-CG1 3.47Å; E95-I99 PolarHBondContact O-N 3.33Å; L96-I99 PolarHBondContact O-N 3.04Å; S97-I99 VanDerWaalsContact C-N 3.33Å; S97-I99 PolarHBondContact O-N 3.32Å; I99-L105 HydrophobicContact CG2-CD2 3.82Å; I99-H113 VanDerWaalsContact CD1-CE1 3.45Å; I99-H113 WeakPolarHBondContact CD1-CE1 3.48Å; I99-H113 WeakPolarHBondContact CD1-ND1 3.3Å; I99-H113 HydrophobicContact CG2-CB 4.28Å |
| 100 | L | 92.1 | Very high | 94 | Very high | 118 Ų | 118 | 74.2 Ų | 74.2 | 62% | 0.618 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72.1 | -34.9 | -179.7 | -70.2 | 172.9 | 0 | 0 | 0 | 112.5 | L96 S97 S98 D102 | L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.33Å; L96-L100 PolarHBondContact O-N 3.2Å; S97-L100 PolarHBondContact O-N 3.01Å; S98-L100 VanDerWaalsContact C-N 3.33Å; L100-D102 VanDerWaalsContact C-N 3.31Å |
| 101 | D | 94.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 74.1 Ų | 74.1 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79 | -13.5 | 179.4 | -67.4 | -24.2 | 0 | 0 | 0 | 113.2 | S97 A103 | S97-D101 WeakPolarHBondContact O-CB 3.35Å; S97-D101 VanDerWaalsContact O-CG 3.25Å; S97-D101 PolarHBondContact O-N 3.06Å; D101-A103 PolarHBondContact O-N 2.88Å |
| 102 | D | 94 | Very high | 93.6 | Very high | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | trans | -75.7 | 96.3 | 179.6 | -172.1 | -0.5 | 0 | 0 | 0 | 112 | S98 L100 A104 L105 | S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.48Å; L100-D102 VanDerWaalsContact C-N 3.31Å; D102-A104 PolarHBondContact O-N 2.93Å; D102-A104 WeakPolarHBondContact OD1-CA 3.21Å; D102-A104 WeakPolarHBondContact OD1-CB 3.17Å; D102-A104 PolarHBondContact OD1-N 3.41Å; D102-L105 HydrophobicContact CB-CB 4.2Å; D102-L105 VanDerWaalsContact O-CB 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.47Å; D102-L105 PolarHBondContact O-N 3.35Å; D102-L105 PolarHBondContact OD1-N 2.87Å | ||
| 103 | A | 89.9 | Confident | 93.6 | Very high | 103 Ų | 103 | 70.4 Ų | 70.4 | 85% | 0.851 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D101 | D101-A103 PolarHBondContact O-N 2.88Š|
| 104 | A | 93.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 71 Ų | 71 | 74% | 0.744 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D102 S106 | D102-A104 PolarHBondContact O-N 2.93Å; D102-A104 WeakPolarHBondContact OD1-CA 3.21Å; D102-A104 WeakPolarHBondContact OD1-CB 3.17Å; D102-A104 PolarHBondContact OD1-N 3.41Å; A104-S106 PolarHBondContact O-N 3.43Å |
| 105 | L | 92.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | trans | -62.9 | 122.9 | -178.2 | -165.4 | 72.8 | 0 | 0 | 0 | 111.3 | I99 D102 D109 R110 | I99-L105 HydrophobicContact CG2-CD2 3.82Å; D102-L105 HydrophobicContact CB-CB 4.2Å; D102-L105 VanDerWaalsContact O-CB 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.47Å; D102-L105 PolarHBondContact O-N 3.35Å; D102-L105 PolarHBondContact OD1-N 2.87Å; L105-D109 HydrophobicContact CD1-CB 3.71Å; L105-D109 HydrophobicContact CG-CB 4.01Å; L105-R110 HydrophobicContact CD2-CB 4.15Å | ||
| 106 | S | 92.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 33% | 0.329 | 39% | 0.389 | S | S | . | . | trans | -64.9 | 156.1 | -179 | 84.3 | 0 | 0 | 0 | 0 | 111.7 | A104 S108 D109 R110 | A104-S106 PolarHBondContact O-N 3.43Å; S106-S108 PolarHBondContact O-N 3.45Å; S106-S108 PolarHBondContact OG-N 3.36Å; S106-D109 WeakPolarHBondContact CB-OD2 3.42Å; S106-D109 PolarHBondContact O-N 3.31Å; S106-D109 PolarHBondContact OG-N 3.01Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD2 3.3Å; S106-R110 WeakPolarHBondContact O-CB 3.36Å; S106-R110 PolarHBondContact O-N 3.36Å | ||
| 107 | G | 90.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.6 | -33.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S111 | G107-S111 PolarHBondContact O-N 2.83Å; G107-S111 VanDerWaalsContact O-N 3.1Å; G107-S111 PolarHBondContact O-OG 3.36Å; G107-S111 VanDerWaalsContact O-OG 3.09Å |
| 108 | S | 91.2 | Very high | 94.1 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | S106 S111 A112 | S106-S108 PolarHBondContact O-N 3.45Å; S106-S108 PolarHBondContact OG-N 3.36Å; S108-S111 PolarHBondContact O-N 2.89Å; S108-A112 PolarHBondContact O-N 3.35Å |
| 109 | D | 92.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | -179.7 | -59.2 | -39.5 | 0 | 0 | 0 | 110.9 | L105 S106 S111 A112 H113 | L105-D109 HydrophobicContact CD1-CB 3.71Å; L105-D109 HydrophobicContact CG-CB 4.01Å; S106-D109 WeakPolarHBondContact CB-OD2 3.42Å; S106-D109 PolarHBondContact O-N 3.31Å; S106-D109 PolarHBondContact OG-N 3.01Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD2 3.3Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 2.9Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.35Å; D109-H113 PolarHBondContact O-CD2 2.83Å; D109-H113 PolarHBondContact O-N 3.42Å |
| 110 | R | 93.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57 | -45.9 | 172.3 | -172.4 | -178.9 | -62.5 | -91.4 | -5.5 | 111.6 | L105 S106 H113 L114 | L105-R110 HydrophobicContact CD2-CB 4.15Å; S106-R110 WeakPolarHBondContact O-CB 3.36Å; S106-R110 PolarHBondContact O-N 3.36Å; R110-H113 PolarHBondContact O-N 3.01Å; R110-L114 WeakPolarHBondContact O-CB 3.38Å; R110-L114 PolarHBondContact O-N 3.32Å |
| 111 | S | 93.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 176.3 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | G107 S108 D109 L114 N115 | G107-S111 PolarHBondContact O-N 2.83Å; G107-S111 VanDerWaalsContact O-N 3.1Å; G107-S111 PolarHBondContact O-OG 3.36Å; G107-S111 VanDerWaalsContact O-OG 3.09Å; S108-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 2.9Å; S111-L114 PolarHBondContact O-N 2.87Å; S111-N115 WeakPolarHBondContact O-CB 3.16Å; S111-N115 PolarHBondContact O-N 3.01Å; S111-N115 PolarHBondContact O-ND2 2.99Å |
| 112 | A | 95.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L57 S108 D109 N115 A116 | L57-A112 HydrophobicContact CD1-CB 3.95Å; S108-A112 PolarHBondContact O-N 3.35Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.35Å; A112-N115 PolarHBondContact O-N 2.91Å; A112-A116 VanDerWaalsContact O-CB 3.29Å; A112-A116 WeakPolarHBondContact O-CB 3.28Å; A112-A116 PolarHBondContact O-N 3.1Å |
| 113 | H | 95.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175 | -81.4 | -72.3 | 0 | 0 | 0 | 112.4 | H92 I99 D109 R110 A116 L117 | H92-H113 AromaticContact NE2-ND1 3.75Å; I99-H113 VanDerWaalsContact CD1-CE1 3.45Å; I99-H113 WeakPolarHBondContact CD1-CE1 3.48Å; I99-H113 WeakPolarHBondContact CD1-ND1 3.3Å; I99-H113 HydrophobicContact CG2-CB 4.28Å; D109-H113 PolarHBondContact O-CD2 2.83Å; D109-H113 PolarHBondContact O-N 3.42Å; R110-H113 PolarHBondContact O-N 3.01Å; H113-A116 PolarHBondContact O-N 2.89Å; H113-L117 VanDerWaalsContact O-CB 3.31Å; H113-L117 WeakPolarHBondContact O-CB 3.44Å; H113-L117 PolarHBondContact O-N 2.9Å |
| 114 | L | 95.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 40.1 Ų | 40.1 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.7 | 177.8 | 60.1 | 0 | 0 | 0 | 111.7 | R110 S111 L117 K118 | R110-L114 WeakPolarHBondContact O-CB 3.38Å; R110-L114 PolarHBondContact O-N 3.32Å; S111-L114 PolarHBondContact O-N 2.87Å; L114-L117 PolarHBondContact O-N 3.14Å; L114-K118 HydrophobicContact CD1-CG 4.42Å; L114-K118 HydrophobicContact CG-CD 4.47Å; L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.35Å |
| 115 | N | 97.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 177.2 | -76.3 | -30.7 | 0 | 0 | 0 | 111.5 | F6 F8 L57 S111 A112 L117 K118 M119 | F6-N115 HydrophobicContact CE2-CB 4.11Å; F6-N115 PolarHBondContact O-ND2 3.43Å; F8-N115 HydrophobicContact CB-CB 4.38Å; F8-N115 PolarHBondContact N-OD1 3.32Å; L57-N115 HydrophobicContact CD2-CB 3.78Å; S111-N115 WeakPolarHBondContact O-CB 3.16Å; S111-N115 PolarHBondContact O-N 3.01Å; S111-N115 PolarHBondContact O-ND2 2.99Å; A112-N115 PolarHBondContact O-N 2.91Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 2.94Å; N115-K118 PolarHBondContact O-N 3.24Å; N115-M119 WeakPolarHBondContact O-CB 3.28Å; N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.31Å; N115-M119 PolarHBondContact O-N 3.48Å |
| 116 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L54 I56 L57 A112 H113 N120 | L54-A116 HydrophobicContact CD2-CB 3.64Å; I56-A116 HydrophobicContact CG2-CB 3.69Å; L57-A116 HydrophobicContact CD1-CB 4.44Å; L57-A116 HydrophobicContact CD2-CB 4.04Å; L57-A116 HydrophobicContact CG-CB 4.09Å; A112-A116 VanDerWaalsContact O-CB 3.29Å; A112-A116 WeakPolarHBondContact O-CB 3.28Å; A112-A116 PolarHBondContact O-N 3.1Å; H113-A116 PolarHBondContact O-N 2.89Å; A116-N120 WeakPolarHBondContact O-CB 3.42Å; A116-N120 PolarHBondContact O-N 2.94Å; A116-N120 PolarHBondContact O-ND2 2.92Å |
| 117 | L | 97.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 177.5 | -175.8 | 65 | 0 | 0 | 0 | 110.6 | H92 L96 H113 L114 N115 M119 N120 C121 | H92-L117 PolarHBondContact CE1-N 3.23Å; L96-L117 HydrophobicContact CD1-CD1 4.12Å; L96-L117 HydrophobicContact CD1-CD2 4.45Å; L96-L117 HydrophobicContact CD2-CD1 4.34Å; L96-L117 HydrophobicContact CD2-CD2 4.14Å; H113-L117 VanDerWaalsContact O-CB 3.31Å; H113-L117 WeakPolarHBondContact O-CB 3.44Å; H113-L117 PolarHBondContact O-N 2.9Å; L114-L117 PolarHBondContact O-N 3.14Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 2.94Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 3.29Å; L117-N120 PolarHBondContact O-N 2.9Å; L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 3.34Å; L117-C121 PolarHBondContact O-SG 3.48Å; L117-C121 VanDerWaalsContact O-SG 3.35Å |
| 118 | K | 97.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 176.7 | -66 | 172.9 | 178.9 | 174.4 | 0 | 111.1 | E7 F8 L10 L114 N115 Y122 | E7-K118 IonicContact OE1-NZ 3.65Å; E7-K118 PolarHBondContact OE1-NZ 3.49Å; E7-K118 VanDerWaalsContact OE1-NZ 3.07Å; F8-K118 HydrophobicContact CD1-CB 3.66Å; F8-K118 HydrophobicContact CD1-CD 4.48Å; F8-K118 HydrophobicContact CE1-CB 4.34Å; F8-K118 WeakPolarHBondContact O-CD 3.31Å; F8-K118 PolarHBondContact O-NZ 3.09Å; L10-K118 HydrophobicContact CD2-CB 4.23Å; L114-K118 HydrophobicContact CD1-CG 4.42Å; L114-K118 HydrophobicContact CG-CD 4.47Å; L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.35Å; N115-K118 PolarHBondContact O-N 3.24Å; K118-Y122 WeakPolarHBondContact O-CB 3.38Å; K118-Y122 PolarHBondContact O-N 3.36Å |
| 119 | M | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 179.7 | -78.1 | 179.7 | 168.4 | 0 | 0 | 112.8 | F6 F8 Y26 I56 L57 F60 N115 L117 Y122 A123 | F6-M119 HydrophobicContact CE2-CE 3.57Å; F6-M119 HydrophobicContact CZ-CE 3.87Å; F8-M119 HydrophobicContact CB-CE 4.14Å; F8-M119 HydrophobicContact CB-CG 4.16Å; F8-M119 HydrophobicContact CD1-CG 3.88Å; F8-M119 HydrophobicContact CD2-CE 3.34Å; F8-M119 HydrophobicContact CD2-CG 3.48Å; F8-M119 VanDerWaalsContact CD2-CG 3.48Å; F8-M119 HydrophobicContact CD2-SD 4.27Å; F8-M119 HydrophobicContact CE1-CG 4.07Å; F8-M119 HydrophobicContact CE2-CE 4Å; F8-M119 HydrophobicContact CE2-CG 3.71Å; F8-M119 HydrophobicContact CG-CE 3.99Å; F8-M119 HydrophobicContact CG-CG 3.56Å; F8-M119 HydrophobicContact CZ-CG 4Å; Y26-M119 HydrophobicContact CD1-CE 3.91Å; Y26-M119 HydrophobicContact CD2-CE 3.26Å; Y26-M119 HydrophobicContact CE1-CE 4.1Å; Y26-M119 HydrophobicContact CE2-CE 3.43Å; Y26-M119 VanDerWaalsContact CE2-CE 3.43Å; Y26-M119 HydrophobicContact CG-CE 3.51Å; I56-M119 HydrophobicContact CG1-CB 3.74Å; I56-M119 HydrophobicContact CG1-SD 4.47Å; I56-M119 HydrophobicContact CG2-CB 4.02Å; I56-M119 HydrophobicContact CG2-SD 4.36Å; L57-M119 HydrophobicContact CD2-SD 3.98Å; F60-M119 HydrophobicContact CB-CE 4.38Å; F60-M119 HydrophobicContact CB-SD 4.14Å; F60-M119 HydrophobicContact CD2-CB 3.71Å; F60-M119 HydrophobicContact CD2-CG 3.68Å; F60-M119 HydrophobicContact CD2-SD 4.04Å; F60-M119 HydrophobicContact CE2-CB 3.99Å; F60-M119 HydrophobicContact CE2-CG 3.98Å; F60-M119 HydrophobicContact CG-CE 4.36Å; F60-M119 HydrophobicContact CG-CG 4.36Å; F60-M119 HydrophobicContact CG-SD 4.24Å; N115-M119 WeakPolarHBondContact O-CB 3.28Å; N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.31Å; N115-M119 PolarHBondContact O-N 3.48Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 3.29Å; M119-Y122 PolarHBondContact O-N 3.1Å; M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 3.18Å |
| 120 | N | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | -179.6 | -78.2 | -45.6 | 0 | 0 | 0 | 111.8 | P53 I56 V88 V89 H92 A116 L117 L124 | P53-N120 PolarHBondContact O-ND2 3.41Å; P53-N120 VanDerWaalsContact O-ND2 3.09Å; I56-N120 VanDerWaalsContact CB-OD1 3.3Å; I56-N120 WeakPolarHBondContact CB-OD1 3.34Å; I56-N120 WeakPolarHBondContact CG1-OD1 3.33Å; I56-N120 WeakPolarHBondContact CG2-ND2 3.29Å; V88-N120 WeakPolarHBondContact CG1-OD1 3.45Å; V89-N120 HydrophobicContact CG2-CB 4.01Å; H92-N120 PolarHBondContact ND1-ND2 3.2Å; A116-N120 WeakPolarHBondContact O-CB 3.42Å; A116-N120 PolarHBondContact O-N 2.94Å; A116-N120 PolarHBondContact O-ND2 2.92Å; L117-N120 PolarHBondContact O-N 2.9Å; N120-L124 PolarHBondContact O-N 3.09Å; N120-L124 VanDerWaalsContact O-N 3.1Å |
| 121 | C | 98.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 177.6 | -70 | 0 | 0 | 0 | 0 | 111.4 | L117 A123 L124 I125 | L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 3.34Å; L117-C121 PolarHBondContact O-SG 3.48Å; L117-C121 VanDerWaalsContact O-SG 3.35Å; C121-A123 PolarHBondContact O-N 3.27Å; C121-L124 PolarHBondContact O-N 3.11Å; C121-I125 WeakPolarHBondContact O-CB 3.46Å; C121-I125 WeakPolarHBondContact O-CD1 3.36Å; C121-I125 VanDerWaalsContact O-CG1 3.26Å; C121-I125 WeakPolarHBondContact O-CG1 3.2Å; C121-I125 PolarHBondContact O-N 3.22Å |
| 122 | Y | 98.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 177.1 | 175.6 | -99 | 0 | 0 | 0 | 111.2 | F8 L10 P11 L17 F60 K118 M119 L124 I125 R126 | F8-Y122 HydrophobicContact CE1-CD1 4.49Å; F8-Y122 HydrophobicContact CE1-CG 4.34Å; F8-Y122 HydrophobicContact CZ-CD1 4.02Å; F8-Y122 HydrophobicContact CZ-CG 4.31Å; L10-Y122 HydrophobicContact CD2-CD2 4.27Å; L10-Y122 HydrophobicContact CD2-CG 4.41Å; P11-Y122 HydrophobicContact CG-CD2 4.26Å; P11-Y122 HydrophobicContact CG-CE1 4.16Å; P11-Y122 HydrophobicContact CG-CE2 3.44Å; P11-Y122 VanDerWaalsContact CG-CE2 3.44Å; P11-Y122 WeakPolarHBondContact CG-OH 3.35Å; L17-Y122 HydrophobicContact CD1-CE1 3.87Å; F60-Y122 HydrophobicContact CE2-CD1 4.04Å; F60-Y122 AromaticContact CZ-CD1 3.78Å; F60-Y122 HydrophobicContact CZ-CD1 3.78Å; F60-Y122 AromaticContact CZ-CE1 3.97Å; F60-Y122 HydrophobicContact CZ-CE1 3.97Å; K118-Y122 WeakPolarHBondContact O-CB 3.38Å; K118-Y122 PolarHBondContact O-N 3.36Å; M119-Y122 PolarHBondContact O-N 3.1Å; Y122-L124 PolarHBondContact O-N 3.3Å; Y122-I125 PolarHBondContact O-N 3.06Å; Y122-R126 HydrophobicContact CD1-CG 4.12Å; Y122-R126 HydrophobicContact CD2-CG 3.9Å; Y122-R126 HydrophobicContact CE1-CG 3.75Å; Y122-R126 HydrophobicContact CE2-CG 3.49Å; Y122-R126 VanDerWaalsContact CE2-CG 3.49Å; Y122-R126 HydrophobicContact CG-CG 4.2Å; Y122-R126 VanDerWaalsContact CZ-CG 3.41Å; Y122-R126 WeakPolarHBondContact O-CB 3.47Å; Y122-R126 VanDerWaalsContact O-CG 3.25Å; Y122-R126 WeakPolarHBondContact O-CG 3.14Å; Y122-R126 PolarHBondContact O-N 3.44Å |
| 123 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.4 | -48.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V63 L85 M119 C121 L127 | V63-A123 HydrophobicContact CG1-CB 3.79Å; L85-A123 HydrophobicContact CD1-CB 4.03Å; L85-A123 HydrophobicContact CD2-CB 4.42Å; M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 3.18Å; C121-A123 PolarHBondContact O-N 3.27Å; A123-L127 WeakPolarHBondContact O-CB 3.33Å; A123-L127 PolarHBondContact O-N 2.94Å |
| 124 | L | 98.5 | Very high | 96 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | -179.9 | 178.5 | 60 | 0 | 0 | 0 | 111.9 | L82 L85 K86 V89 N120 C121 Y122 L127 L128 | L82-L124 HydrophobicContact CD1-CD1 3.78Å; L85-L124 HydrophobicContact CB-CB 4.44Å; L85-L124 HydrophobicContact CB-CD1 4.08Å; K86-L124 HydrophobicContact CG-CD1 3.84Å; V89-L124 HydrophobicContact CB-CD2 4.01Å; V89-L124 HydrophobicContact CG1-CD2 4.2Å; V89-L124 HydrophobicContact CG2-CB 4.13Å; V89-L124 HydrophobicContact CG2-CD2 3.8Å; N120-L124 PolarHBondContact O-N 3.09Å; N120-L124 VanDerWaalsContact O-N 3.1Å; C121-L124 PolarHBondContact O-N 3.11Å; Y122-L124 PolarHBondContact O-N 3.3Å; L124-L127 PolarHBondContact O-N 2.91Å; L124-L128 HydrophobicContact CD1-CD1 4.29Å; L124-L128 HydrophobicContact CD1-CG 4.4Å; L124-L128 HydrophobicContact CG-CD1 4.2Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 2.86Å |
| 125 | I | 97.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 179.6 | -68.8 | 165 | 0 | 0 | 0 | 110.3 | C121 Y122 L127 L128 E129 | C121-I125 WeakPolarHBondContact O-CB 3.46Å; C121-I125 WeakPolarHBondContact O-CD1 3.36Å; C121-I125 VanDerWaalsContact O-CG1 3.26Å; C121-I125 WeakPolarHBondContact O-CG1 3.2Å; C121-I125 PolarHBondContact O-N 3.22Å; Y122-I125 PolarHBondContact O-N 3.06Å; I125-L127 PolarHBondContact O-N 3.31Å; I125-L128 PolarHBondContact O-N 3.22Å; I125-L128 VanDerWaalsContact O-N 3.15Å; I125-E129 HydrophobicContact CG2-CG 4.37Å; I125-E129 WeakPolarHBondContact O-CG 3.31Å; I125-E129 PolarHBondContact O-N 2.95Å |
| 126 | R | 96.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -34 | 179.4 | -67 | -53.6 | -61.4 | -169.7 | -10.5 | 112.8 | L67 Y122 E129 S130 | L67-R126 HydrophobicContact CD1-CB 3.77Å; L67-R126 HydrophobicContact CD2-CB 4.01Å; Y122-R126 HydrophobicContact CD1-CG 4.12Å; Y122-R126 HydrophobicContact CD2-CG 3.9Å; Y122-R126 HydrophobicContact CE1-CG 3.75Å; Y122-R126 HydrophobicContact CE2-CG 3.49Å; Y122-R126 VanDerWaalsContact CE2-CG 3.49Å; Y122-R126 HydrophobicContact CG-CG 4.2Å; Y122-R126 VanDerWaalsContact CZ-CG 3.41Å; Y122-R126 WeakPolarHBondContact O-CB 3.47Å; Y122-R126 VanDerWaalsContact O-CG 3.25Å; Y122-R126 WeakPolarHBondContact O-CG 3.14Å; Y122-R126 PolarHBondContact O-N 3.44Å; R126-E129 VanDerWaalsContact CD-OE2 3.31Å; R126-E129 WeakPolarHBondContact CD-OE2 3.32Å; R126-E129 IonicContact CZ-OE2 3.26Å; R126-E129 VanDerWaalsContact CZ-OE2 3.26Å; R126-E129 IonicContact NE-OE2 3.37Å; R126-E129 PolarHBondContact NE-OE2 3.01Å; R126-E129 IonicContact NH1-OE2 2.84Å; R126-E129 PolarHBondContact NH1-OE2 3.34Å; R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 3.47Å; R126-S130 PolarHBondContact O-OG 3.09Å |
| 127 | L | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 176.9 | -170.6 | 62.9 | 0 | 0 | 0 | 110.9 | L67 F70 T81 L82 L85 A123 L124 I125 S130 F131 | L67-L127 HydrophobicContact CD2-CB 4.01Å; L67-L127 HydrophobicContact CD2-CD1 3.89Å; F70-L127 HydrophobicContact CD2-CD1 3.88Å; F70-L127 HydrophobicContact CE2-CD1 3.57Å; T81-L127 HydrophobicContact CG2-CD2 3.85Å; L82-L127 VanDerWaalsContact CA-CD2 3.47Å; L82-L127 HydrophobicContact CB-CD2 3.79Å; L82-L127 HydrophobicContact CD1-CD2 4.08Å; L82-L127 HydrophobicContact CD1-CG 4.4Å; L85-L127 HydrophobicContact CD1-CD2 3.81Å; A123-L127 WeakPolarHBondContact O-CB 3.33Å; A123-L127 PolarHBondContact O-N 2.94Å; L124-L127 PolarHBondContact O-N 2.91Å; I125-L127 PolarHBondContact O-N 3.31Å; L127-S130 WeakPolarHBondContact O-CB 3.24Å; L127-S130 PolarHBondContact O-N 3.47Å; L127-S130 VanDerWaalsContact O-N 3.14Å; L127-F131 HydrophobicContact CD1-CD2 4.5Å; L127-F131 HydrophobicContact CD1-CE2 4.12Å; L127-F131 HydrophobicContact CG-CD2 4.21Å; L127-F131 HydrophobicContact CG-CE2 3.96Å; L127-F131 VanDerWaalsContact O-CD2 3.26Å; L127-F131 WeakPolarHBondContact O-CD2 3.45Å; L127-F131 PolarHBondContact O-N 2.98Å; L127-F131 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 96.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 174.7 | -72.3 | 168.2 | 0 | 0 | 0 | 111.8 | L82 L124 I125 S130 F131 E132 | L82-L128 HydrophobicContact CD1-CD2 3.77Å; L82-L128 HydrophobicContact CD1-CG 4.13Å; L82-L128 HydrophobicContact CD2-CD2 4.43Å; L124-L128 HydrophobicContact CD1-CD1 4.29Å; L124-L128 HydrophobicContact CD1-CG 4.4Å; L124-L128 HydrophobicContact CG-CD1 4.2Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 2.86Å; I125-L128 PolarHBondContact O-N 3.22Å; I125-L128 VanDerWaalsContact O-N 3.15Å; L128-S130 PolarHBondContact O-N 3.34Å; L128-F131 WeakPolarHBondContact O-CB 3.44Å; L128-F131 PolarHBondContact O-N 2.95Å; L128-F131 VanDerWaalsContact O-N 3.08Å; L128-E132 WeakPolarHBondContact O-CG 3.43Å; L128-E132 PolarHBondContact O-N 3.16Å |
| 129 | E | 95.6 | Very high | 89.9 | Confident | 67 Ų | 67 | 54 Ų | 54 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.3 | -37.6 | 175 | -71.5 | 175.5 | 172.3 | 0 | 0 | 111.7 | I125 R126 E132 N133 | I125-E129 HydrophobicContact CG2-CG 4.37Å; I125-E129 WeakPolarHBondContact O-CG 3.31Å; I125-E129 PolarHBondContact O-N 2.95Å; R126-E129 VanDerWaalsContact CD-OE2 3.31Å; R126-E129 WeakPolarHBondContact CD-OE2 3.32Å; R126-E129 IonicContact CZ-OE2 3.26Å; R126-E129 VanDerWaalsContact CZ-OE2 3.26Å; R126-E129 IonicContact NE-OE2 3.37Å; R126-E129 PolarHBondContact NE-OE2 3.01Å; R126-E129 IonicContact NH1-OE2 2.84Å; R126-E129 PolarHBondContact NH1-OE2 3.34Å; E129-E132 PolarHBondContact O-N 2.88Å; E129-N133 VanDerWaalsContact O-CB 3.32Å; E129-N133 WeakPolarHBondContact O-CB 3.47Å; E129-N133 PolarHBondContact O-N 3.43Å; E129-N133 PolarHBondContact O-ND2 3.3Å |
| 130 | S | 94.9 | Very high | 88.2 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | F70 R126 L127 L128 M134 | F70-S130 VanDerWaalsContact CE1-C 3.45Å; F70-S130 VanDerWaalsContact CE1-O 3.24Å; F70-S130 WeakPolarHBondContact CE1-O 3.45Å; R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 3.47Å; R126-S130 PolarHBondContact O-OG 3.09Å; L127-S130 WeakPolarHBondContact O-CB 3.24Å; L127-S130 PolarHBondContact O-N 3.47Å; L127-S130 VanDerWaalsContact O-N 3.14Å; L128-S130 PolarHBondContact O-N 3.34Å; S130-M134 WeakPolarHBondContact O-CB 3.27Å; S130-M134 PolarHBondContact O-N 2.92Å; S130-M134 VanDerWaalsContact O-N 3.11Å |
| 131 | F | 94.2 | Very high | 86.7 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 172.8 | -85.3 | -79.4 | 0 | 0 | 0 | 112.4 | F70 K78 L82 L127 L128 M134 T135 | F70-F131 HydrophobicContact CE2-CD2 4.04Å; F70-F131 AromaticContact CE2-CE2 3.9Å; F70-F131 HydrophobicContact CE2-CE2 3.9Å; F70-F131 HydrophobicContact CE2-CG 4.49Å; F70-F131 HydrophobicContact CE2-CZ 4.29Å; F70-F131 HydrophobicContact CZ-CB 4.43Å; F70-F131 AromaticContact CZ-CD1 3.99Å; F70-F131 HydrophobicContact CZ-CD1 3.99Å; F70-F131 AromaticContact CZ-CD2 3.78Å; F70-F131 HydrophobicContact CZ-CD2 3.78Å; F70-F131 HydrophobicContact CZ-CE1 4.2Å; F70-F131 AromaticContact CZ-CE2 3.97Å; F70-F131 HydrophobicContact CZ-CE2 3.97Å; F70-F131 AromaticContact CZ-CG 3.79Å; F70-F131 HydrophobicContact CZ-CG 3.79Å; F70-F131 HydrophobicContact CZ-CZ 4.2Å; K78-F131 HydrophobicContact CB-CE1 4.05Å; K78-F131 HydrophobicContact CB-CE2 4.15Å; K78-F131 HydrophobicContact CB-CZ 3.43Å; K78-F131 VanDerWaalsContact CB-CZ 3.43Å; L82-F131 HydrophobicContact CB-CE2 3.94Å; L82-F131 HydrophobicContact CB-CZ 4.41Å; L82-F131 HydrophobicContact CD2-CD2 4.1Å; L82-F131 HydrophobicContact CD2-CE2 3.81Å; L82-F131 HydrophobicContact CD2-CZ 4.23Å; L82-F131 HydrophobicContact CG-CE2 4.35Å; L127-F131 HydrophobicContact CD1-CD2 4.5Å; L127-F131 HydrophobicContact CD1-CE2 4.12Å; L127-F131 HydrophobicContact CG-CD2 4.21Å; L127-F131 HydrophobicContact CG-CE2 3.96Å; L127-F131 VanDerWaalsContact O-CD2 3.26Å; L127-F131 WeakPolarHBondContact O-CD2 3.45Å; L127-F131 PolarHBondContact O-N 2.98Å; L127-F131 VanDerWaalsContact O-N 3.09Å; L128-F131 WeakPolarHBondContact O-CB 3.44Å; L128-F131 PolarHBondContact O-N 2.95Å; L128-F131 VanDerWaalsContact O-N 3.08Å; F131-M134 PolarHBondContact O-N 3.18Å; F131-T135 PolarHBondContact O-N 2.94Å; F131-T135 PolarHBondContact O-OG1 3.27Å |
| 132 | E | 92.1 | Very high | 84.8 | Confident | 123 Ų | 123 | 68 Ų | 68 | 58% | 0.575 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.3 | -49.5 | 178.5 | -70.7 | 174.2 | 175.9 | 0 | 0 | 110.8 | L128 E129 M134 T135 S136 | L128-E132 WeakPolarHBondContact O-CG 3.43Å; L128-E132 PolarHBondContact O-N 3.16Å; E129-E132 PolarHBondContact O-N 2.88Å; E132-M134 VanDerWaalsContact C-N 3.3Å; E132-M134 PolarHBondContact O-N 3.46Å; E132-T135 PolarHBondContact O-N 3.28Å; E132-T135 VanDerWaalsContact O-N 3.13Å; E132-S136 PolarHBondContact O-N 2.98Å; E132-S136 PolarHBondContact O-OG 3.3Å |
| 133 | N | 90.1 | Very high | 82.9 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 178.4 | -74.2 | -37.6 | 0 | 0 | 0 | 113 | E129 Q137 | E129-N133 VanDerWaalsContact O-CB 3.32Å; E129-N133 WeakPolarHBondContact O-CB 3.47Å; E129-N133 PolarHBondContact O-N 3.43Å; E129-N133 PolarHBondContact O-ND2 3.3Å; N133-Q137 WeakPolarHBondContact O-CG 3.37Å; N133-Q137 PolarHBondContact O-N 3.42Å; N133-Q137 VanDerWaalsContact O-N 3.13Å |
| 134 | M | 86.5 | Confident | 80.7 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 176.6 | -176.1 | 171.4 | 176.6 | 0 | 0 | 111.6 | F70 K78 S130 F131 E132 Q137 T138 | F70-M134 HydrophobicContact CE1-CB 4.2Å; F70-M134 HydrophobicContact CE1-SD 4.01Å; K78-M134 PolarHBondContact NZ-SD 2.78Å; K78-M134 VanDerWaalsContact NZ-SD 3.45Å; S130-M134 WeakPolarHBondContact O-CB 3.27Å; S130-M134 PolarHBondContact O-N 2.92Å; S130-M134 VanDerWaalsContact O-N 3.11Å; F131-M134 PolarHBondContact O-N 3.18Å; E132-M134 VanDerWaalsContact C-N 3.3Å; E132-M134 PolarHBondContact O-N 3.46Å; M134-Q137 PolarHBondContact O-N 2.96Å; M134-T138 PolarHBondContact O-N 3.18Å; M134-T138 VanDerWaalsContact O-N 3.07Å; M134-T138 PolarHBondContact O-OG1 2.61Å |
| 135 | T | 77.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 58% | 0.577 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 176.8 | -53 | 0 | 0 | 0 | 0 | 111.2 | F131 E132 Q137 T138 S139 | F131-T135 PolarHBondContact O-N 2.94Å; F131-T135 PolarHBondContact O-OG1 3.27Å; E132-T135 PolarHBondContact O-N 3.28Å; E132-T135 VanDerWaalsContact O-N 3.13Å; T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.09Å; T135-T138 PolarHBondContact O-N 3.13Å; T135-S139 PolarHBondContact O-N 3.33Å; T135-S139 PolarHBondContact O-OG 2.89Å |
| 136 | S | 75.1 | Confident | 76.2 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | E132 S139 L140 | E132-S136 PolarHBondContact O-N 2.98Å; E132-S136 PolarHBondContact O-OG 3.3Å; S136-S139 PolarHBondContact O-OG 2.92Å; S136-L140 VanDerWaalsContact O-CG 3.28Å; S136-L140 WeakPolarHBondContact O-CG 3.42Å; S136-L140 PolarHBondContact O-N 3.25Å |
| 137 | Q | 72.2 | Confident | 73.7 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 174.6 | -74.8 | -178 | -2 | 0 | 0 | 112 | R71 N133 M134 T135 L140 I141 | R71-Q137 VanDerWaalsContact NH2-NE2 3.17Å; N133-Q137 WeakPolarHBondContact O-CG 3.37Å; N133-Q137 PolarHBondContact O-N 3.42Å; N133-Q137 VanDerWaalsContact O-N 3.13Å; M134-Q137 PolarHBondContact O-N 2.96Å; T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.09Å; Q137-L140 PolarHBondContact O-N 3.18Å; Q137-I141 WeakPolarHBondContact O-CD1 3.5Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.35Å; Q137-I141 PolarHBondContact O-N 3.28Å; Q137-I141 VanDerWaalsContact O-N 3.12Å |
| 138 | T | 70 | Confident | 71.4 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 179.1 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | M134 T135 L140 I141 D142 | M134-T138 PolarHBondContact O-N 3.18Å; M134-T138 VanDerWaalsContact O-N 3.07Å; M134-T138 PolarHBondContact O-OG1 2.61Å; T135-T138 PolarHBondContact O-N 3.13Å; T138-L140 VanDerWaalsContact C-N 3.35Å; T138-L140 PolarHBondContact O-N 3.41Å; T138-I141 PolarHBondContact O-N 3.06Å; T138-D142 PolarHBondContact O-N 3.41Å |
| 139 | S | 63 | Low | 68.8 | Low | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 176.8 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | T135 S136 L143 | T135-S139 PolarHBondContact O-N 3.33Å; T135-S139 PolarHBondContact O-OG 2.89Å; S136-S139 PolarHBondContact O-OG 2.92Å; S139-L143 WeakPolarHBondContact O-CG 3.36Å; S139-L143 PolarHBondContact O-N 3.25Å |
| 140 | L | 61.7 | Low | 66.2 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.7 | -39.4 | 173.2 | -72.3 | 171.3 | 0 | 0 | 0 | 112.5 | S136 Q137 T138 L143 D144 | S136-L140 VanDerWaalsContact O-CG 3.28Å; S136-L140 WeakPolarHBondContact O-CG 3.42Å; S136-L140 PolarHBondContact O-N 3.25Å; Q137-L140 PolarHBondContact O-N 3.18Å; T138-L140 VanDerWaalsContact C-N 3.35Å; T138-L140 PolarHBondContact O-N 3.41Å; L140-L143 PolarHBondContact O-N 3.31Å; L140-D144 PolarHBondContact O-N 2.86Å |
| 141 | I | 67.4 | Low | 63.9 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 52% | 0.518 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.9 | -39.7 | 178.5 | -65.9 | 163.9 | 0 | 0 | 0 | 110.9 | Q137 T138 L143 D144 I145 | Q137-I141 WeakPolarHBondContact O-CD1 3.5Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.35Å; Q137-I141 PolarHBondContact O-N 3.28Å; Q137-I141 VanDerWaalsContact O-N 3.12Å; T138-I141 PolarHBondContact O-N 3.06Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 2.83Å; I141-D144 PolarHBondContact O-N 2.68Å; I141-D144 VanDerWaalsContact O-N 3.09Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.46Å; I141-I145 PolarHBondContact O-N 3.01Å; I141-I145 VanDerWaalsContact O-N 3.08Å |
| 142 | D | 57.7 | Low | 61.2 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.4 | -34 | 178.8 | -159.1 | 35.7 | 0 | 0 | 0 | 112.1 | T138 D144 G146 | T138-D142 PolarHBondContact O-N 3.41Å; D142-D144 VanDerWaalsContact C-N 3.35Å; D142-D144 PolarHBondContact O-N 3.18Å; D142-G146 PolarHBondContact O-N 3.06Å |
| 143 | L | 58.1 | Low | 59 | Low | 134 Ų | 134 | 120.3 Ų | 120.3 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.7 | -34.4 | 171.8 | -71.5 | 168.8 | 0 | 0 | 0 | 113 | S139 L140 I141 | S139-L143 WeakPolarHBondContact O-CG 3.36Å; S139-L143 PolarHBondContact O-N 3.25Å; L140-L143 PolarHBondContact O-N 3.31Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 2.83Å |
| 144 | D | 52.6 | Low | 56.5 | Low | 144 Ų | 144 | 120.6 Ų | 120.6 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.4 | -25.4 | -176.9 | -135.7 | 11.1 | 0 | 0 | 0 | 112.3 | L140 I141 D142 | L140-D144 PolarHBondContact O-N 2.86Å; I141-D144 PolarHBondContact O-N 2.68Å; I141-D144 VanDerWaalsContact O-N 3.09Å; D142-D144 VanDerWaalsContact C-N 3.35Å; D142-D144 PolarHBondContact O-N 3.18Å |
| 145 | I | 54.1 | Low | 54.4 | Low | 136 Ų | 136 | 126.1 Ų | 126.1 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.4 | -24.3 | 177.3 | -62.3 | 171.3 | 0 | 0 | 0 | 111.9 | I141 G147 | I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.46Å; I141-I145 PolarHBondContact O-N 3.01Å; I141-I145 VanDerWaalsContact O-N 3.08Å; I145-G147 VanDerWaalsContact C-N 3.32Å; I145-G147 PolarHBondContact O-N 3.43Å |
| 146 | G | 47.2 | Very low | 52.6 | Low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -2.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | D142 K148 | D142-G146 PolarHBondContact O-N 3.06Å; G146-K148 PolarHBondContact O-N 3.23Å; G146-K148 VanDerWaalsContact O-N 3.07Å |
| 147 | G | 43.4 | Very low | 51.2 | Low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | trans | -84.1 | 50.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | I145 | I145-G147 VanDerWaalsContact C-N 3.32Å; I145-G147 PolarHBondContact O-N 3.43Å | ||
| 148 | K | 48.9 | Very low | 49.9 | Very low | 214 Ų | 214 | 133 Ų | 133 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -138.3 | 78.1 | 162 | -95.2 | -174.3 | 179.4 | 172 | 0 | 111.9 | G146 | G146-K148 PolarHBondContact O-N 3.23Å; G146-K148 VanDerWaalsContact O-N 3.07Å | ||
| 149 | G | 42.6 | Very low | 48.4 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -160.8 | 84.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 150 | K | 40.4 | Very low | 47.4 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | 39.7 | 118.2 | 154.4 | -68.6 | 179.1 | 179.1 | 176.7 | 0 | 119.6 | A152 | K150-A152 PolarHBondContact O-N 3.17Š| ||
| 151 | R | 46.9 | Very low | 46.6 | Very low | 256 Ų | 256 | 141.5 Ų | 141.5 | 97% | 0.966 | 79% | 0.785 | S | S | * | * | trans | -45.4 | 124.8 | 159.6 | -66.8 | 177.3 | 175.2 | -178.1 | -2 | 111.9 | ||||
| 152 | A | 37.3 | Very low | 46 | Very low | 98 Ų | 98 | 151.8 Ų | 151.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 113.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | K150 A154 | K150-A152 PolarHBondContact O-N 3.17Å; A152-A154 PolarHBondContact O-N 3.26Å | ||
| 153 | R | 45.9 | Very low | 45.4 | Very low | 240 Ų | 240 | 153.2 Ų | 153.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -75 | 111.4 | 175.1 | -174.4 | -178.1 | -169.4 | 176.6 | 3.4 | 107.5 | ||||
| 154 | A | 37.5 | Very low | 44.8 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -116.6 | 120 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A152 | A152-A154 PolarHBondContact O-N 3.26Š| ||
| 155 | K | 43.2 | Very low | 44.3 | Very low | 191 Ų | 191 | 154.8 Ų | 154.8 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | trans | -88.6 | 144.7 | 172.3 | -127.5 | -174.9 | -178.7 | -173.6 | 0 | 107.8 | ||||
| 156 | A | 39.9 | Very low | 43.8 | Very low | 82 Ų | 82 | 155.9 Ų | 155.9 | 68% | 0.678 | 84% | 0.843 | S | S | * | * | trans | 113.8 | 112.4 | 142 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 157 | T | 45.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 161.6 Ų | 161.6 | 78% | 0.779 | 86% | 0.855 | S | S | * | * | 74.3 | 149.4 | 128.1 | 41.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 158 | L | 43.5 | Very low | 43.6 | Very low | 180 Ų | 180 | 168.2 Ų | 168.2 | 94% | 0.942 | 87% | 0.868 | S | S | * | * | trans | 85.5 | 118.4 | 174.3 | -54.2 | 151.3 | 0 | 0 | 0 | 111.8 | ||||
| 159 | G | 38.7 | Very low | 43.2 | Very low | 75 Ų | 75 | 164.9 Ų | 164.9 | 77% | 0.773 | 86% | 0.864 | S | S | * | * | cis | 140.3 | 107.5 | 23.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 160 | F | 41.9 | Very low | 43.2 | Very low | 213 Ų | 213 | 172.2 Ų | 172.2 | 93% | 0.934 | 87% | 0.874 | S | S | * | * | trans | -105.3 | 116.7 | -179 | -134.6 | -90.7 | 0 | 0 | 0 | 107.1 | ||||
| 161 | D | 45.7 | Very low | 43.4 | Very low | 153 Ų | 153 | 169.3 Ų | 169.3 | 82% | 0.818 | 87% | 0.872 | S | S | * | * | trans | -104.5 | 143.9 | 171.5 | -135.5 | -10.6 | 0 | 0 | 0 | 108 | ||||
| 162 | W | 55 | Low | 43.1 | Very low | 316 Ų | 316 | 161.5 Ų | 161.5 | 100% | 1.197 | 86% | 0.864 | S | S | * | * | trans | -70 | 0 | -175 | -78.3 | 90.3 | 0 | 0 | 0 | 113.6 |
Retrieved 162 of 162 residues in 48.8 ms
(Link to these results)