| 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 | 34.1 | Very low | 69 | Low | 239 Ų | 239 | 83.4 Ų | 83.4 | 100% | 1.177 | 47% | 0.474 | S | S | * | . | 0 | 131 | 0 | -68.3 | -178.1 | -172.8 | 0 | 0 | 106 | E3 | M1-E3 PolarHBondContact O-N 3.37Å; M1-E3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 39.2 | Very low | 71.5 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 76% | 0.755 | 44% | 0.437 | S | S | * | . | trans | -56.1 | 116.3 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | T4 | S2-T4 PolarHBondContact O-N 3.21Š| ||
| 3 | E | 42.6 | Very low | 73.6 | Confident | 186 Ų | 186 | 70.7 Ų | 70.7 | 87% | 0.869 | 40% | 0.403 | S | S | * | . | trans | -53 | 110.9 | 161.1 | -77.1 | 169.7 | 171.4 | 0 | 0 | 106 | M1 S5 | M1-E3 PolarHBondContact O-N 3.37Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-S5 PolarHBondContact O-N 3.2Å | ||
| 4 | T | 46.4 | Very low | 75.4 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 71% | 0.712 | 37% | 0.374 | S | S | * | . | trans | -66.7 | 79.5 | 165.5 | 45.5 | 0 | 0 | 0 | 0 | 106 | S2 T6 | S2-T4 PolarHBondContact O-N 3.21Å; T4-T6 VanDerWaalsContact C-N 3.33Å; T4-T6 PolarHBondContact O-N 3.47Å; T4-T6 PolarHBondContact O-OG1 3.34Å | ||
| 5 | S | 52.3 | Low | 76.9 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | trans | -51.1 | 107.9 | 162.2 | 175.1 | 0 | 0 | 0 | 0 | 105.1 | E3 S7 | E3-S5 PolarHBondContact O-N 3.2Å; S5-S7 PolarHBondContact O-N 3.24Å | ||
| 6 | T | 63.6 | Low | 78.2 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | trans | -75.4 | 103 | -179.9 | -63.1 | 0 | 0 | 0 | 0 | 105.3 | T4 K33 | T4-T6 VanDerWaalsContact C-N 3.33Å; T4-T6 PolarHBondContact O-N 3.47Å; T4-T6 PolarHBondContact O-OG1 3.34Å; T6-K33 HydrophobicContact CG2-CD 4.44Å | ||
| 7 | S | 88.2 | Confident | 79.3 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | trans | -74.8 | 141.6 | 174 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | S5 L9 Y99 | S5-S7 PolarHBondContact O-N 3.24Å; S7-L9 PolarHBondContact O-N 2.92Å; S7-Y99 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 8 | L | 96.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -60 | 131.1 | 165.6 | -73.3 | 179.8 | 0 | 0 | 0 | 109.7 | L77 Y80 V83 L95 Y99 | L8-L77 HydrophobicContact CD1-CB 4.21Å; L8-L77 HydrophobicContact CD1-CD1 3.78Å; L8-Y80 WeakPolarHBondContact CD2-O 3.46Å; L8-V83 HydrophobicContact CD1-CB 4.46Å; L8-V83 HydrophobicContact CD1-CG1 3.75Å; L8-V83 HydrophobicContact CD2-CB 4.42Å; L8-V83 HydrophobicContact CD2-CG1 4.33Å; L8-L95 HydrophobicContact CD1-CD2 4.24Å; L8-Y99 HydrophobicContact CB-CD1 4.05Å; L8-Y99 HydrophobicContact CB-CD2 3.98Å; L8-Y99 HydrophobicContact CB-CE1 4.24Å; L8-Y99 HydrophobicContact CB-CE2 4.2Å; L8-Y99 HydrophobicContact CB-CG 3.9Å; L8-Y99 HydrophobicContact CD1-CD2 3.83Å; L8-Y99 HydrophobicContact CD1-CE2 3.57Å; L8-Y99 HydrophobicContact CG-CD2 4.29Å; L8-Y99 HydrophobicContact CG-CE1 4.46Å; L8-Y99 HydrophobicContact CG-CE2 4.05Å | ||
| 9 | L | 98.2 | Very high | 81.2 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 29% | 0.289 | S | S | . | . | trans | -102.7 | -27.1 | 173.8 | -59.3 | -175 | 0 | 0 | 0 | 111.5 | S7 Y31 V81 A102 K103 | S7-L9 PolarHBondContact O-N 2.92Å; L9-Y31 HydrophobicContact CD1-CD1 4.14Å; L9-Y31 HydrophobicContact CD1-CE1 3.82Å; L9-V81 HydrophobicContact CB-CG2 4.21Å; L9-V81 HydrophobicContact CD1-CG2 3.66Å; L9-V81 HydrophobicContact CG-CG2 3.8Å; L9-V81 PolarHBondContact N-O 2.9Å; L9-A102 CarbonylContact O-C 3.51Å; L9-A102 WeakPolarHBondContact O-CA 3.43Å; L9-K103 PolarHBondContact O-N 3.49Å | ||
| 10 | V | 98.8 | Very high | 82 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.9 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | L27 Y31 V81 A82 V83 K103 I105 L208 | V10-L27 HydrophobicContact CB-CD1 4.25Å; V10-L27 HydrophobicContact CB-CD2 4.25Å; V10-L27 HydrophobicContact CG1-CD1 3.79Å; V10-L27 HydrophobicContact CG1-CD2 4.07Å; V10-L27 HydrophobicContact CG2-CD2 3.96Å; V10-Y31 HydrophobicContact CG2-CE2 3.89Å; V10-V81 PolarHBondContact N-O 3.27Å; V10-A82 HydrophobicContact CB-CB 3.91Å; V10-A82 VanDerWaalsContact O-CA 3.26Å; V10-A82 WeakPolarHBondContact O-CA 3.25Å; V10-V83 PolarHBondContact O-N 3.35Å; V10-V83 VanDerWaalsContact O-N 3.14Å; V10-K103 CarbonylContact C-O 3.55Å; V10-K103 WeakPolarHBondContact CA-O 3.17Å; V10-I105 HydrophobicContact CG1-CD1 3.6Å; V10-I105 HydrophobicContact CG1-CG1 3.93Å; V10-L208 HydrophobicContact CG2-CD2 3.69Å |
| 11 | I | 98.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.4 | 173.5 | -60.9 | 162.2 | 0 | 0 | 0 | 108.1 | A13 L95 M96 A102 K103 V104 I105 | I11-A13 PolarHBondContact O-N 3.38Å; I11-L95 HydrophobicContact CD1-CB 3.69Å; I11-L95 HydrophobicContact CG1-CB 4.12Å; I11-L95 HydrophobicContact CG2-CB 4.29Å; I11-L95 HydrophobicContact CG2-CD1 4.08Å; I11-M96 HydrophobicContact CD1-CG 4.03Å; I11-A102 HydrophobicContact CD1-CB 3.71Å; I11-A102 HydrophobicContact CG1-CB 3.95Å; I11-K103 PolarHBondContact N-O 2.83Å; I11-V104 HydrophobicContact CB-CG2 4.42Å; I11-V104 CarbonylContact O-C 3.55Å; I11-V104 VanDerWaalsContact O-CA 3.27Å; I11-V104 WeakPolarHBondContact O-CA 3.29Å; I11-I105 PolarHBondContact O-N 3.36Å |
| 12 | G | 98.8 | Very high | 85.8 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 107 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G14 V83 I105 | G12-G14 VanDerWaalsContact C-N 3.28Å; G12-V83 VanDerWaalsContact CA-O 3.31Å; G12-V83 WeakPolarHBondContact CA-O 3.28Å; G12-V83 PolarHBondContact N-O 3.39Å; G12-I105 CarbonylContact C-O 3.56Å; G12-I105 WeakPolarHBondContact CA-O 3.29Å |
| 13 | A | 98.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -90.1 | 10.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I11 Y92 V104 I105 L106 Y179 V183 | I11-A13 PolarHBondContact O-N 3.38Å; A13-Y92 HydrophobicContact CB-CG 4.29Å; A13-V104 HydrophobicContact CB-CG1 3.87Å; A13-I105 PolarHBondContact N-O 3.14Å; A13-L106 HydrophobicContact CB-CD1 4.38Å; A13-L106 VanDerWaalsContact O-CD1 3.31Å; A13-L106 WeakPolarHBondContact O-CD1 3.27Å; A13-Y179 WeakPolarHBondContact O-CE1 3.4Å; A13-Y179 PolarHBondContact O-OH 3.42Å; A13-V183 HydrophobicContact CB-CG1 3.83Å; A13-V183 HydrophobicContact CB-CG2 4.33Å | ||
| 14 | G | 98.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 137.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G12 T20 C89 T107 | G12-G14 VanDerWaalsContact C-N 3.28Å; G14-T20 WeakPolarHBondContact O-CG2 3.42Å; G14-C89 WeakPolarHBondContact O-CB 3.34Å; G14-T107 WeakPolarHBondContact CA-OG1 3.27Å |
| 15 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 159.9 | 169.2 | -70.4 | 167.8 | 0 | 0 | 0 | 111.3 | T18 T20 L155 F159 Y176 Y179 | L15-T18 HydrophobicContact CB-CG2 4.26Å; L15-T18 WeakPolarHBondContact O-CB 2.79Å; L15-T18 WeakPolarHBondContact O-CG2 3.34Å; L15-T18 PolarHBondContact O-N 2.98Å; L15-T18 PolarHBondContact O-OG1 3.24Å; L15-T20 WeakPolarHBondContact O-CG2 3.42Å; L15-L155 HydrophobicContact CD2-CD2 4.35Å; L15-F159 HydrophobicContact CD1-CE1 3.72Å; L15-F159 HydrophobicContact CD1-CZ 4.34Å; L15-F159 HydrophobicContact CD2-CE1 3.76Å; L15-F159 HydrophobicContact CD2-CZ 4.29Å; L15-F159 HydrophobicContact CG-CE1 4.41Å; L15-Y176 HydrophobicContact CD1-CD2 3.54Å; L15-Y176 HydrophobicContact CD1-CE2 4.06Å; L15-Y179 HydrophobicContact CD1-CD1 3.45Å; L15-Y179 VanDerWaalsContact CD1-CD1 3.45Å; L15-Y179 HydrophobicContact CD1-CE1 4.05Å; L15-Y179 HydrophobicContact CD1-CG 3.98Å; L15-Y179 HydrophobicContact CD2-CD1 3.97Å; L15-Y179 HydrophobicContact CD2-CE1 3.88Å; L15-Y179 HydrophobicContact CD2-CG 4.31Å; L15-Y179 HydrophobicContact CG-CD1 3.51Å; L15-Y179 HydrophobicContact CG-CE1 3.54Å; L15-Y179 HydrophobicContact CG-CG 4.25Å |
| 16 | P | 97.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 147.7 | 173.8 | 21.8 | -33.9 | 0 | 0 | 0 | 111.5 | T18 D85 V86 W114 V122 | P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 2.87Å; P16-D85 WeakPolarHBondContact CA-OD1 3.31Å; P16-D85 WeakPolarHBondContact CB-OD1 3.36Å; P16-V86 HydrophobicContact CB-CG2 4.16Å; P16-V86 HydrophobicContact CG-CG1 4.26Å; P16-V86 HydrophobicContact CG-CG2 4.09Å; P16-W114 PolarHBondContact O-NE1 2.76Å; P16-V122 HydrophobicContact CB-CG2 4.2Å |
| 17 | R | 96.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 11.5 Ų | 11.5 | 8% | 0.075 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 18.6 | 177.8 | -49 | -50.9 | -55.9 | 174.5 | 1.5 | 115.6 | R109 S117 V118 S121 V122 N222 | R17-R109 WeakPolarHBondContact O-CD 3.43Å; R17-R109 PolarHBondContact O-NH1 3.14Å; R17-S117 PolarHBondContact NE-OG 2.96Å; R17-S117 PolarHBondContact NH2-OG 2.69Å; R17-V118 HydrophobicContact CG-CB 4.26Å; R17-V118 HydrophobicContact CG-CG2 4.24Å; R17-S121 WeakPolarHBondContact CD-OG 3.43Å; R17-S121 WeakPolarHBondContact CG-OG 3.4Å; R17-S121 PolarHBondContact NE-OG 3.17Å; R17-V122 HydrophobicContact CG-CG2 4.16Å; R17-N222 VanDerWaalsContact CZ-O 3.23Å; R17-N222 PolarHBondContact NH1-ND2 2.71Å; R17-N222 PolarHBondContact NH1-O 2.8Å; R17-N222 PolarHBondContact NH1-OD1 2.85Å; R17-N222 VanDerWaalsContact NH1-OD1 3.08Å; R17-N222 PolarHBondContact NH2-O 3.2Å |
| 18 | T | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -100.3 | 3.7 | 172.6 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | L15 P16 T107 Y176 | L15-T18 HydrophobicContact CB-CG2 4.26Å; L15-T18 WeakPolarHBondContact O-CB 2.79Å; L15-T18 WeakPolarHBondContact O-CG2 3.34Å; L15-T18 PolarHBondContact O-N 2.98Å; L15-T18 PolarHBondContact O-OG1 3.24Å; P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 2.87Å; T18-T107 VanDerWaalsContact CB-O 3.26Å; T18-T107 WeakPolarHBondContact CB-O 3.41Å; T18-T107 WeakPolarHBondContact O-CB 3.33Å; T18-T107 PolarHBondContact OG1-O 3.45Å; T18-T107 PolarHBondContact OG1-OG1 2.97Å; T18-Y176 HydrophobicContact CG2-CE2 3.77Å |
| 19 | G | 97.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 14 Ų | 14 | 16% | 0.155 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 106.3 | 10 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K21 S22 L23 | G19-K21 VanDerWaalsContact C-N 3.29Å; G19-K21 PolarHBondContact O-N 2.68Å; G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 3.42Å; G19-L23 PolarHBondContact O-N 3.39Å |
| 20 | T | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.3 | -38 | -178.5 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | G14 L15 L23 K24 D85 T107 | G14-T20 WeakPolarHBondContact O-CG2 3.42Å; L15-T20 WeakPolarHBondContact O-CG2 3.42Å; T20-L23 PolarHBondContact O-N 3.22Å; T20-K24 PolarHBondContact O-N 2.99Å; T20-D85 HydrophobicContact CG2-CB 4.27Å; T20-D85 PolarHBondContact OG1-OD1 3.26Å; T20-T107 WeakPolarHBondContact CG2-OG1 3.46Å |
| 21 | K | 97.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.022 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | 178.1 | -175.6 | 53.9 | -178.1 | 172 | 0 | 113.3 | G19 L23 K24 E25 H37 V39 V221 N222 E249 | G19-K21 VanDerWaalsContact C-N 3.29Å; G19-K21 PolarHBondContact O-N 2.68Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 2.97Å; K21-K24 HydrophobicContact CD-CB 4.46Å; K21-K24 HydrophobicContact CD-CD 3.82Å; K21-K24 WeakPolarHBondContact O-CB 3.44Å; K21-K24 PolarHBondContact O-N 3.01Å; K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 IonicContact NZ-OE1 3.97Å; K21-E25 PolarHBondContact O-N 2.75Å; K21-E25 VanDerWaalsContact O-N 3.16Å; K21-H37 VanDerWaalsContact CA-NE2 3.35Å; K21-H37 WeakPolarHBondContact CA-NE2 3.18Å; K21-H37 WeakPolarHBondContact CB-NE2 3.45Å; K21-H37 PolarHBondContact N-NE2 3.34Å; K21-V39 HydrophobicContact CD-CG1 4.15Å; K21-V221 HydrophobicContact CB-CG2 4.46Å; K21-V221 HydrophobicContact CG-CG2 3.93Å; K21-N222 HydrophobicContact CB-CB 3.7Å; K21-N222 HydrophobicContact CG-CB 3.67Å; K21-E249 VanDerWaalsContact NZ-CD 3.32Å; K21-E249 IonicContact NZ-OE1 3.44Å; K21-E249 PolarHBondContact NZ-OE1 3.49Å; K21-E249 IonicContact NZ-OE2 2.67Å |
| 22 | S | 97.7 | Very high | 98 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 169.7 | -79.4 | 0 | 0 | 0 | 0 | 111.6 | G19 E25 A26 P219 V221 | G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 3.42Å; S22-E25 PolarHBondContact O-N 2.84Å; S22-A26 WeakPolarHBondContact O-CB 3.41Å; S22-A26 PolarHBondContact O-N 3.3Å; S22-P219 WeakPolarHBondContact CB-O 3.12Å; S22-P219 PolarHBondContact OG-O 2.9Å; S22-V221 PolarHBondContact OG-N 3.33Å |
| 23 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 175.2 | 179.9 | 63.5 | 0 | 0 | 0 | 111.8 | G19 T20 K21 E25 A26 L27 T84 I105 T107 L204 | G19-L23 PolarHBondContact O-N 3.39Å; T20-L23 PolarHBondContact O-N 3.22Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 2.97Å; L23-E25 PolarHBondContact O-N 2.9Å; L23-A26 PolarHBondContact O-N 3.41Å; L23-L27 HydrophobicContact CD1-CD1 4Å; L23-L27 HydrophobicContact CD1-CD2 4.43Å; L23-L27 HydrophobicContact CD1-CG 3.98Å; L23-L27 HydrophobicContact CD2-CD1 4.41Å; L23-L27 HydrophobicContact CG-CD1 3.79Å; L23-L27 HydrophobicContact CG-CG 4.23Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 WeakPolarHBondContact O-CG 3.32Å; L23-L27 PolarHBondContact O-N 2.67Å; L23-T84 HydrophobicContact CB-CG2 4.5Å; L23-T84 HydrophobicContact CD2-CG2 3.87Å; L23-T84 HydrophobicContact CG-CG2 4.06Å; L23-I105 HydrophobicContact CD1-CD1 4.07Å; L23-I105 HydrophobicContact CD1-CG2 4.39Å; L23-I105 HydrophobicContact CD2-CB 4.03Å; L23-I105 HydrophobicContact CD2-CD1 4.45Å; L23-I105 HydrophobicContact CD2-CG2 3.68Å; L23-T107 HydrophobicContact CB-CG2 4.19Å; L23-T107 HydrophobicContact CD2-CG2 3.69Å; L23-L204 HydrophobicContact CD1-CD1 4.05Å; L23-L204 HydrophobicContact CD1-CD2 4.1Å |
| 24 | K | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.3 | -54.2 | 174.2 | -177.5 | -152.5 | -170.9 | -66 | 0 | 110.8 | T20 K21 A26 L27 E28 C35 H37 V39 E40 | T20-K24 PolarHBondContact O-N 2.99Å; K21-K24 HydrophobicContact CD-CB 4.46Å; K21-K24 HydrophobicContact CD-CD 3.82Å; K21-K24 WeakPolarHBondContact O-CB 3.44Å; K21-K24 PolarHBondContact O-N 3.01Å; K24-A26 VanDerWaalsContact C-N 3.35Å; K24-A26 PolarHBondContact O-N 3.02Å; K24-L27 PolarHBondContact O-N 3.05Å; K24-E28 IonicContact NZ-OE1 3.13Å; K24-E28 PolarHBondContact NZ-OE1 3.14Å; K24-E28 IonicContact NZ-OE2 2.81Å; K24-E28 PolarHBondContact NZ-OE2 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.18Å; K24-E28 PolarHBondContact O-N 2.92Å; K24-C35 HydrophobicContact CB-CB 4.42Å; K24-C35 WeakPolarHBondContact CE-O 3.46Å; K24-C35 HydrophobicContact CG-CB 3.61Å; K24-C35 PolarHBondContact NZ-O 2.86Å; K24-C35 VanDerWaalsContact NZ-O 3.17Å; K24-H37 HydrophobicContact CD-CB 3.68Å; K24-H37 HydrophobicContact CG-CB 4.11Å; K24-V39 HydrophobicContact CD-CG1 4.03Å; K24-E40 WeakPolarHBondContact CE-OE1 3.4Å; K24-E40 IonicContact NZ-OE1 3.53Å; K24-E40 PolarHBondContact NZ-OE1 3.48Å; K24-E40 VanDerWaalsContact NZ-OE1 3.13Å; K24-E40 IonicContact NZ-OE2 3.81Å |
| 25 | E | 98 | Very high | 97.8 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 21% | 0.206 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | -179.4 | -71.7 | -178.9 | -154.2 | 0 | 0 | 112.1 | K21 S22 L23 L27 E28 I29 P219 V221 | K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 IonicContact NZ-OE1 3.97Å; K21-E25 PolarHBondContact O-N 2.75Å; K21-E25 VanDerWaalsContact O-N 3.16Å; S22-E25 PolarHBondContact O-N 2.84Å; L23-E25 PolarHBondContact O-N 2.9Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 2.88Å; E25-E28 PolarHBondContact O-N 3.21Å; E25-I29 VanDerWaalsContact O-CG1 3.31Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.44Å; E25-P219 HydrophobicContact CB-CB 3.82Å; E25-P219 HydrophobicContact CB-CG 3.83Å; E25-V221 WeakPolarHBondContact OE1-CG2 3.46Å; E25-V221 WeakPolarHBondContact OE2-CG1 3.37Å |
| 26 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S22 L23 K24 I29 I30 W201 L204 Y218 P219 | S22-A26 WeakPolarHBondContact O-CB 3.41Å; S22-A26 PolarHBondContact O-N 3.3Å; L23-A26 PolarHBondContact O-N 3.41Å; K24-A26 VanDerWaalsContact C-N 3.35Å; K24-A26 PolarHBondContact O-N 3.02Å; A26-I29 PolarHBondContact O-N 3.18Å; A26-I30 VanDerWaalsContact O-CG1 3.3Å; A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 3.35Å; A26-W201 HydrophobicContact CB-CH2 3.75Å; A26-W201 HydrophobicContact CB-CZ3 3.65Å; A26-L204 HydrophobicContact CB-CD2 3.97Å; A26-Y218 HydrophobicContact CB-CD2 4.32Å; A26-Y218 HydrophobicContact CB-CE2 3.63Å; A26-P219 HydrophobicContact CB-CG 4.31Å |
| 27 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 177.2 | -66.7 | 170.2 | 0 | 0 | 0 | 112 | V10 L23 K24 E25 I29 I30 Y31 A82 T84 L208 | V10-L27 HydrophobicContact CB-CD1 4.25Å; V10-L27 HydrophobicContact CB-CD2 4.25Å; V10-L27 HydrophobicContact CG1-CD1 3.79Å; V10-L27 HydrophobicContact CG1-CD2 4.07Å; V10-L27 HydrophobicContact CG2-CD2 3.96Å; L23-L27 HydrophobicContact CD1-CD1 4Å; L23-L27 HydrophobicContact CD1-CD2 4.43Å; L23-L27 HydrophobicContact CD1-CG 3.98Å; L23-L27 HydrophobicContact CD2-CD1 4.41Å; L23-L27 HydrophobicContact CG-CD1 3.79Å; L23-L27 HydrophobicContact CG-CG 4.23Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 WeakPolarHBondContact O-CG 3.32Å; L23-L27 PolarHBondContact O-N 2.67Å; K24-L27 PolarHBondContact O-N 3.05Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 2.88Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I30 PolarHBondContact O-N 3.12Å; L27-Y31 HydrophobicContact CB-CD2 4.47Å; L27-Y31 HydrophobicContact CD2-CD2 4.38Å; L27-Y31 HydrophobicContact CD2-CE2 3.94Å; L27-Y31 WeakPolarHBondContact O-CB 3.25Å; L27-Y31 WeakPolarHBondContact O-CD2 3.46Å; L27-Y31 PolarHBondContact O-N 3.41Å; L27-A82 HydrophobicContact CB-CB 4.33Å; L27-A82 HydrophobicContact CD1-CB 3.79Å; L27-T84 HydrophobicContact CD1-CG2 4.15Å; L27-L208 HydrophobicContact CD2-CD1 3.75Å |
| 28 | E | 97.9 | Very high | 97.8 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 23% | 0.229 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | 174.5 | -70.9 | -177 | 149 | 0 | 0 | 111.9 | K24 E25 S32 K33 P34 C35 | K24-E28 IonicContact NZ-OE1 3.13Å; K24-E28 PolarHBondContact NZ-OE1 3.14Å; K24-E28 IonicContact NZ-OE2 2.81Å; K24-E28 PolarHBondContact NZ-OE2 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.18Å; K24-E28 PolarHBondContact O-N 2.92Å; E25-E28 PolarHBondContact O-N 3.21Å; E28-S32 WeakPolarHBondContact O-CA 3.37Å; E28-S32 PolarHBondContact O-N 3.1Å; E28-K33 WeakPolarHBondContact CG-O 3.21Å; E28-P34 WeakPolarHBondContact OE1-CA 3.34Å; E28-C35 HydrophobicContact CG-CB 3.81Å; E28-C35 PolarHBondContact OE1-N 2.81Å |
| 29 | I | 98.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 27.3 Ų | 27.3 | 32% | 0.318 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 172 | -68.2 | 161.7 | 0 | 0 | 0 | 111.1 | E25 A26 L27 W201 P213 I216 P219 | E25-I29 VanDerWaalsContact O-CG1 3.31Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.44Å; A26-I29 PolarHBondContact O-N 3.18Å; L27-I29 VanDerWaalsContact C-N 3.34Å; I29-W201 HydrophobicContact CB-CH2 4.13Å; I29-W201 HydrophobicContact CD1-CH2 4.1Å; I29-W201 HydrophobicContact CD1-CZ2 4.2Å; I29-W201 HydrophobicContact CG2-CH2 4.03Å; I29-W201 HydrophobicContact CG2-CZ2 4.4Å; I29-P213 HydrophobicContact CG2-CB 3.97Å; I29-P213 HydrophobicContact CG2-CG 3.72Å; I29-I216 HydrophobicContact CD1-CG2 4.17Å; I29-I216 HydrophobicContact CG2-CD1 4.33Å; I29-P219 HydrophobicContact CD1-CG 3.72Å |
| 30 | I | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 16% | 0.159 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | -178.2 | -74.1 | 167.7 | 0 | 0 | 0 | 111.6 | A26 L27 W201 L204 L208 V210 | A26-I30 VanDerWaalsContact O-CG1 3.3Å; A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 3.35Å; L27-I30 PolarHBondContact O-N 3.12Å; I30-W201 HydrophobicContact CD1-CE3 4.32Å; I30-W201 HydrophobicContact CD1-CZ3 3.77Å; I30-W201 HydrophobicContact CG1-CZ3 3.9Å; I30-L204 HydrophobicContact CD1-CD2 3.98Å; I30-L204 HydrophobicContact CD1-CG 4.21Å; I30-L208 HydrophobicContact CD1-CD1 3.94Å; I30-V210 HydrophobicContact CD1-CG2 4.29Å; I30-V210 HydrophobicContact CG1-CG2 4.45Å; I30-V210 HydrophobicContact CG2-CB 4.33Å; I30-V210 HydrophobicContact CG2-CG1 4.14Å; I30-V210 HydrophobicContact CG2-CG2 3.87Å |
| 31 | Y | 97.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 26.7 Ų | 26.7 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -102.7 | -9.5 | -169.7 | -67.8 | -63.2 | 0 | 0 | 0 | 114.4 | L9 V10 L27 K33 V81 L208 | L9-Y31 HydrophobicContact CD1-CD1 4.14Å; L9-Y31 HydrophobicContact CD1-CE1 3.82Å; V10-Y31 HydrophobicContact CG2-CE2 3.89Å; L27-Y31 HydrophobicContact CB-CD2 4.47Å; L27-Y31 HydrophobicContact CD2-CD2 4.38Å; L27-Y31 HydrophobicContact CD2-CE2 3.94Å; L27-Y31 WeakPolarHBondContact O-CB 3.25Å; L27-Y31 WeakPolarHBondContact O-CD2 3.46Å; L27-Y31 PolarHBondContact O-N 3.41Å; Y31-K33 PolarHBondContact O-N 2.78Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; Y31-V81 HydrophobicContact CD1-CG2 4.45Å; Y31-V81 HydrophobicContact CD2-CG1 4.18Å; Y31-V81 HydrophobicContact CD2-CG2 4.4Å; Y31-V81 HydrophobicContact CG-CG1 4.24Å; Y31-V81 HydrophobicContact CG-CG2 4.09Å; Y31-L208 HydrophobicContact CE2-CD1 4.29Å |
| 32 | S | 96.7 | Very high | 97.2 | Very high | 111 Ų | 111 | 27.6 Ų | 27.6 | 78% | 0.776 | 15% | 0.148 | S | C | * | . | S | Bend | trans | 50.1 | 36.4 | -174 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | E28 | E28-S32 WeakPolarHBondContact O-CA 3.37Å; E28-S32 PolarHBondContact O-N 3.1Å |
| 33 | K | 97.1 | Very high | 96.9 | Very high | 98 Ų | 98 | 28.1 Ų | 28.1 | 43% | 0.426 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -146.4 | 151.1 | -174.9 | -78.8 | -171.3 | -179.2 | -168 | 0 | 109.8 | T6 E28 Y31 V81 | T6-K33 HydrophobicContact CG2-CD 4.44Å; E28-K33 WeakPolarHBondContact CG-O 3.21Å; Y31-K33 PolarHBondContact O-N 2.78Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; K33-V81 HydrophobicContact CB-CB 3.76Å; K33-V81 HydrophobicContact CB-CG1 3.62Å; K33-V81 HydrophobicContact CB-CG2 4.47Å; K33-V81 HydrophobicContact CD-CB 4.17Å; K33-V81 HydrophobicContact CD-CG2 4.31Å |
| 34 | P | 97.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | trans | -68.8 | 143.3 | -170.1 | 28.6 | -35.7 | 0 | 0 | 0 | 112.6 | E28 G79 Y80 V81 | E28-P34 WeakPolarHBondContact OE1-CA 3.34Å; P34-G79 WeakPolarHBondContact CG-O 3.45Å; P34-Y80 HydrophobicContact CB-CD1 3.73Å; P34-Y80 HydrophobicContact CB-CE1 3.9Å; P34-Y80 HydrophobicContact CG-CD1 4.07Å; P34-Y80 HydrophobicContact CG-CE1 4.46Å; P34-Y80 WeakPolarHBondContact O-CA 3.39Å; P34-V81 PolarHBondContact O-N 2.92Å | ||
| 35 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.9 | 171.3 | 177.4 | 0 | 0 | 0 | 0 | 110 | K24 E28 A82 | K24-C35 HydrophobicContact CB-CB 4.42Å; K24-C35 WeakPolarHBondContact CE-O 3.46Å; K24-C35 HydrophobicContact CG-CB 3.61Å; K24-C35 PolarHBondContact NZ-O 2.86Å; K24-C35 VanDerWaalsContact NZ-O 3.17Å; E28-C35 HydrophobicContact CG-CB 3.81Å; E28-C35 PolarHBondContact OE1-N 2.81Å; C35-A82 CarbonylContact C-O 3.55Å; C35-A82 VanDerWaalsContact CA-O 3.3Å; C35-A82 WeakPolarHBondContact CA-O 3.49Å; C35-A82 HydrophobicContact CB-CB 3.99Å |
| 36 | Y | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.3 | 178.3 | -161.1 | -77.5 | 0 | 0 | 0 | 110.3 | I41 D48 W52 I76 L77 Y80 A82 V83 T84 | Y36-I41 HydrophobicContact CE1-CD1 4.07Å; Y36-I41 HydrophobicContact CE1-CG1 3.98Å; Y36-I41 VanDerWaalsContact OH-CG1 3.31Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.26Å; Y36-D48 WeakPolarHBondContact OH-CB 3.19Å; Y36-D48 PolarHBondContact OH-OD2 2.97Å; Y36-W52 HydrophobicContact CE1-CZ2 4.18Å; Y36-W52 AromaticContact CE1-NE1 3.79Å; Y36-W52 AromaticContact CZ-NE1 3.71Å; Y36-W52 PolarHBondContact OH-NE1 2.85Å; Y36-W52 VanDerWaalsContact OH-NE1 3.07Å; Y36-I76 HydrophobicContact CE2-CG2 3.74Å; Y36-L77 HydrophobicContact CD1-CD2 4.09Å; Y36-L77 HydrophobicContact CD2-CD2 3.82Å; Y36-L77 HydrophobicContact CE2-CD2 4.47Å; Y36-L77 HydrophobicContact CG-CD2 3.62Å; Y36-Y80 HydrophobicContact CD2-CD1 4.27Å; Y36-Y80 AromaticContact CD2-CD2 3.78Å; Y36-Y80 HydrophobicContact CD2-CD2 3.78Å; Y36-Y80 AromaticContact CD2-CE1 3.92Å; Y36-Y80 HydrophobicContact CD2-CE1 3.92Å; Y36-Y80 AromaticContact CD2-CE2 3.41Å; Y36-Y80 HydrophobicContact CD2-CE2 3.41Å; Y36-Y80 VanDerWaalsContact CD2-CE2 3.41Å; Y36-Y80 HydrophobicContact CD2-CG 4.19Å; Y36-Y80 AromaticContact CD2-CZ 3.46Å; Y36-Y80 VanDerWaalsContact CD2-CZ 3.46Å; Y36-Y80 HydrophobicContact CE2-CE2 4.03Å; Y36-Y80 HydrophobicContact CG-CE1 4.38Å; Y36-Y80 HydrophobicContact CG-CE2 4.47Å; Y36-A82 PolarHBondContact N-O 3.35Å; Y36-V83 HydrophobicContact CD1-CG2 4.35Å; Y36-V83 CarbonylContact O-C 3.48Å; Y36-V83 WeakPolarHBondContact O-CA 3.4Å; Y36-T84 PolarHBondContact O-N 2.88Å; Y36-T84 PolarHBondContact O-OG1 3.26Å |
| 37 | H | 98.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | trans | -160.6 | 160.9 | 178.9 | -176.1 | -61 | 0 | 0 | 0 | 109.1 | K21 K24 V39 E40 T84 D85 | K21-H37 VanDerWaalsContact CA-NE2 3.35Å; K21-H37 WeakPolarHBondContact CA-NE2 3.18Å; K21-H37 WeakPolarHBondContact CB-NE2 3.45Å; K21-H37 PolarHBondContact N-NE2 3.34Å; K24-H37 HydrophobicContact CD-CB 3.68Å; K24-H37 HydrophobicContact CG-CB 4.11Å; H37-V39 HydrophobicContact CB-CG1 3.98Å; H37-V39 PolarHBondContact ND1-N 3.3Å; H37-V39 VanDerWaalsContact ND1-N 3.14Å; H37-V39 PolarHBondContact O-N 3.04Å; H37-E40 HydrophobicContact CB-CG 4.47Å; H37-E40 VanDerWaalsContact O-CB 3.24Å; H37-E40 WeakPolarHBondContact O-CB 3.4Å; H37-E40 VanDerWaalsContact O-CG 3.27Å; H37-E40 WeakPolarHBondContact O-CG 3.28Å; H37-E40 PolarHBondContact O-N 3.44Å; H37-T84 WeakPolarHBondContact CA-O 3.45Å; H37-T84 PolarHBondContact CD2-OG1 3.44Å; H37-T84 VanDerWaalsContact CD2-OG1 3.29Å; H37-D85 VanDerWaalsContact CE1-CG 3.46Å; H37-D85 IonicContact CE1-OD2 2.83Å; H37-D85 PolarHBondContact CE1-OD2 3.22Å; H37-D85 IonicContact ND1-OD2 3.85Å; H37-D85 PolarHBondContact ND1-OD2 2.98Å; H37-D85 IonicContact NE2-OD2 2.59Å | ||
| 38 | M | 96.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -45.5 | -34.1 | 170.6 | -176.3 | 59.8 | 74 | 0 | 0 | 114.5 | E40 I41 V42 D85 V86 I147 M150 I151 | M38-E40 PolarHBondContact O-N 3.43Å; M38-I41 WeakPolarHBondContact O-CB 3.47Å; M38-I41 PolarHBondContact O-N 2.88Å; M38-I41 VanDerWaalsContact O-N 3.08Å; M38-I41 HydrophobicContact SD-CB 4.26Å; M38-I41 HydrophobicContact SD-CD1 4.14Å; M38-V42 HydrophobicContact CG-CG2 4.3Å; M38-V42 WeakPolarHBondContact O-CG2 3.31Å; M38-V42 PolarHBondContact O-N 2.9Å; M38-V42 HydrophobicContact SD-CG2 4.48Å; M38-D85 WeakPolarHBondContact CB-OD2 3.26Å; M38-V86 WeakPolarHBondContact CB-O 3.46Å; M38-V86 HydrophobicContact CE-CB 4.09Å; M38-V86 HydrophobicContact CE-CG2 3.59Å; M38-V86 PolarHBondContact N-O 3.36Å; M38-I147 HydrophobicContact SD-CD1 4.39Å; M38-M150 HydrophobicContact CE-CE 3.65Å; M38-M150 HydrophobicContact SD-CE 3.98Å; M38-I151 HydrophobicContact CE-CD1 4.1Å; M38-I151 HydrophobicContact CE-CG1 3.63Å |
| 39 | V | 94.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -33.2 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | K21 K24 H37 I41 V42 T43 E249 | K21-V39 HydrophobicContact CD-CG1 4.15Å; K24-V39 HydrophobicContact CD-CG1 4.03Å; H37-V39 HydrophobicContact CB-CG1 3.98Å; H37-V39 PolarHBondContact ND1-N 3.3Å; H37-V39 VanDerWaalsContact ND1-N 3.14Å; H37-V39 PolarHBondContact O-N 3.04Å; V39-I41 VanDerWaalsContact C-N 3.31Å; V39-I41 PolarHBondContact O-N 3.13Å; V39-V42 PolarHBondContact O-N 3.42Å; V39-T43 HydrophobicContact CG2-CG2 4.11Å; V39-T43 WeakPolarHBondContact O-CG2 3.36Å; V39-T43 PolarHBondContact O-N 3.08Å; V39-T43 PolarHBondContact O-OG1 3.01Å; V39-E249 HydrophobicContact CG2-CB 4.16Å; V39-E249 HydrophobicContact CG2-CG 4.14Å |
| 40 | E | 95.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.3 | -47.2 | -70.4 | 98.3 | 0 | 0 | 110.4 | K24 H37 M38 V42 K44 K45 Y80 | K24-E40 WeakPolarHBondContact CE-OE1 3.4Å; K24-E40 IonicContact NZ-OE1 3.53Å; K24-E40 PolarHBondContact NZ-OE1 3.48Å; K24-E40 VanDerWaalsContact NZ-OE1 3.13Å; K24-E40 IonicContact NZ-OE2 3.81Å; H37-E40 HydrophobicContact CB-CG 4.47Å; H37-E40 VanDerWaalsContact O-CB 3.24Å; H37-E40 WeakPolarHBondContact O-CB 3.4Å; H37-E40 VanDerWaalsContact O-CG 3.27Å; H37-E40 WeakPolarHBondContact O-CG 3.28Å; H37-E40 PolarHBondContact O-N 3.44Å; M38-E40 PolarHBondContact O-N 3.43Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-K44 HydrophobicContact CB-CG 4.46Å; E40-K44 VanDerWaalsContact CD-CE 3.44Å; E40-K44 CarbonylContact O-C 3.6Å; E40-K44 WeakPolarHBondContact O-CG 3.27Å; E40-K44 PolarHBondContact O-N 3.07Å; E40-K44 IonicContact OE1-NZ 3Å; E40-K44 WeakPolarHBondContact OE2-CE 3.48Å; E40-K44 IonicContact OE2-NZ 2.76Å; E40-K44 PolarHBondContact OE2-NZ 3.48Å; E40-K45 WeakPolarHBondContact O-CB 3.34Å; E40-K45 PolarHBondContact O-N 3.2Å; E40-Y80 HydrophobicContact CG-CE1 4.47Å |
| 41 | I | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.4 | -60.4 | 175.3 | 0 | 0 | 0 | 110.1 | Y36 M38 V39 K45 H46 I49 P87 M150 | Y36-I41 HydrophobicContact CE1-CD1 4.07Å; Y36-I41 HydrophobicContact CE1-CG1 3.98Å; Y36-I41 VanDerWaalsContact OH-CG1 3.31Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.26Å; M38-I41 WeakPolarHBondContact O-CB 3.47Å; M38-I41 PolarHBondContact O-N 2.88Å; M38-I41 VanDerWaalsContact O-N 3.08Å; M38-I41 HydrophobicContact SD-CB 4.26Å; M38-I41 HydrophobicContact SD-CD1 4.14Å; V39-I41 VanDerWaalsContact C-N 3.31Å; V39-I41 PolarHBondContact O-N 3.13Å; I41-K45 CarbonylContact O-C 3.41Å; I41-H46 PolarHBondContact O-CD2 2.83Å; I41-H46 PolarHBondContact O-N 2.96Å; I41-I49 HydrophobicContact CG2-CD1 4.14Å; I41-I49 HydrophobicContact CG2-CG1 3.47Å; I41-I49 VanDerWaalsContact CG2-CG1 3.47Å; I41-P87 VanDerWaalsContact CD1-CD 3.49Å; I41-P87 HydrophobicContact CD1-CG 3.93Å; I41-M150 HydrophobicContact CD1-CE 4.02Å; I41-M150 HydrophobicContact CD1-SD 4.22Å |
| 42 | V | 92.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.2 | -36 | -176.6 | 168.8 | 0 | 0 | 0 | 0 | 112.8 | M38 V39 E40 H46 L141 L143 I147 F250 | M38-V42 HydrophobicContact CG-CG2 4.3Å; M38-V42 WeakPolarHBondContact O-CG2 3.31Å; M38-V42 PolarHBondContact O-N 2.9Å; M38-V42 HydrophobicContact SD-CG2 4.48Å; V39-V42 PolarHBondContact O-N 3.42Å; E40-V42 VanDerWaalsContact C-N 3.35Å; V42-H46 PolarHBondContact O-CD2 2.9Å; V42-H46 PolarHBondContact O-NE2 3.28Å; V42-L141 HydrophobicContact CG1-CD1 3.98Å; V42-L143 HydrophobicContact CG1-CD1 4.25Å; V42-L143 HydrophobicContact CG2-CD1 4.18Å; V42-I147 HydrophobicContact CG2-CD1 4.2Å; V42-F250 HydrophobicContact CG1-CZ 4.22Å |
| 43 | T | 90.7 | Very high | 95.8 | Very high | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -101.5 | -33.3 | -172 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | V39 E249 F250 V253 | V39-T43 HydrophobicContact CG2-CG2 4.11Å; V39-T43 WeakPolarHBondContact O-CG2 3.36Å; V39-T43 PolarHBondContact O-N 3.08Å; V39-T43 PolarHBondContact O-OG1 3.01Å; T43-E249 HydrophobicContact CG2-CB 3.96Å; T43-F250 HydrophobicContact CG2-CD1 4.25Å; T43-F250 HydrophobicContact CG2-CD2 4.26Å; T43-F250 HydrophobicContact CG2-CE1 4.08Å; T43-F250 HydrophobicContact CG2-CE2 4.1Å; T43-F250 HydrophobicContact CG2-CG 4.38Å; T43-F250 HydrophobicContact CG2-CZ 4.03Å; T43-V253 HydrophobicContact CG2-CG2 3.89Å |
| 44 | K | 90.7 | Very high | 95.8 | Very high | 110 Ų | 110 | 34.9 Ų | 34.9 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -17.3 | -168.3 | 63.8 | 174.5 | -163 | -169.9 | 0 | 116.6 | E40 | E40-K44 HydrophobicContact CB-CG 4.46Å; E40-K44 VanDerWaalsContact CD-CE 3.44Å; E40-K44 CarbonylContact O-C 3.6Å; E40-K44 WeakPolarHBondContact O-CG 3.27Å; E40-K44 PolarHBondContact O-N 3.07Å; E40-K44 IonicContact OE1-NZ 3Å; E40-K44 WeakPolarHBondContact OE2-CE 3.48Å; E40-K44 IonicContact OE2-NZ 2.76Å; E40-K44 PolarHBondContact OE2-NZ 3.48Å |
| 45 | K | 93.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 32.6 Ų | 32.6 | 35% | 0.348 | 18% | 0.178 | S | C | . | . | trans | -121.1 | 44.7 | -176.1 | -61.7 | -56.5 | 179.3 | 169.5 | 0 | 112.2 | E40 I41 C47 D48 | E40-K45 WeakPolarHBondContact O-CB 3.34Å; E40-K45 PolarHBondContact O-N 3.2Å; I41-K45 CarbonylContact O-C 3.41Å; K45-C47 PolarHBondContact O-N 3.09Å; K45-C47 VanDerWaalsContact O-N 3.11Å; K45-D48 HydrophobicContact CB-CB 4.23Å; K45-D48 WeakPolarHBondContact CB-OD2 3.23Å; K45-D48 WeakPolarHBondContact O-CB 3.34Å; K45-D48 PolarHBondContact O-N 3.39Å | ||
| 46 | H | 93.1 | Very high | 95.9 | Very high | 64 Ų | 64 | 32.6 Ų | 32.6 | 30% | 0.296 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36 | 178.4 | -68.1 | -163.9 | 0 | 0 | 0 | 112.2 | I41 V42 D48 I49 L141 | I41-H46 PolarHBondContact O-CD2 2.83Å; I41-H46 PolarHBondContact O-N 2.96Å; V42-H46 PolarHBondContact O-CD2 2.9Å; V42-H46 PolarHBondContact O-NE2 3.28Å; H46-D48 PolarHBondContact O-N 3.23Å; H46-I49 WeakPolarHBondContact O-CB 3.37Å; H46-I49 WeakPolarHBondContact O-CD1 3.32Å; H46-I49 VanDerWaalsContact O-CG1 3.25Å; H46-I49 WeakPolarHBondContact O-CG1 3.44Å; H46-I49 PolarHBondContact O-N 3.32Å; H46-I49 VanDerWaalsContact O-N 3.14Å; H46-L141 PolarHBondContact CE1-O 2.83Å |
| 47 | C | 93.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 60% | 0.601 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.6 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | K45 I49 | K45-C47 PolarHBondContact O-N 3.09Å; K45-C47 VanDerWaalsContact O-N 3.11Å; C47-I49 PolarHBondContact O-N 3.18Å |
| 48 | D | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73 | -17.7 | 177 | -69.6 | -9.8 | 0 | 0 | 0 | 112 | Y36 K45 H46 G50 K51 W52 | Y36-D48 WeakPolarHBondContact OH-CB 3.19Å; Y36-D48 PolarHBondContact OH-OD2 2.97Å; K45-D48 HydrophobicContact CB-CB 4.23Å; K45-D48 WeakPolarHBondContact CB-OD2 3.23Å; K45-D48 WeakPolarHBondContact O-CB 3.34Å; K45-D48 PolarHBondContact O-N 3.39Å; H46-D48 PolarHBondContact O-N 3.23Å; D48-G50 VanDerWaalsContact C-N 3.29Å; D48-G50 PolarHBondContact O-N 3.39Å; D48-K51 PolarHBondContact O-N 3.24Å; D48-K51 VanDerWaalsContact O-N 3.11Å; D48-K51 WeakPolarHBondContact OD1-CE 3.26Å; D48-K51 IonicContact OD1-NZ 3.77Å; D48-K51 PolarHBondContact OD1-NZ 2.78Å; D48-W52 WeakPolarHBondContact O-CB 3.45Å; D48-W52 PolarHBondContact O-N 3.01Å |
| 49 | I | 97.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.5 | -49.1 | 174.7 | -63.9 | 167.9 | 0 | 0 | 0 | 110.3 | I41 H46 C47 K51 Q53 L143 E146 I147 M150 | I41-I49 HydrophobicContact CG2-CD1 4.14Å; I41-I49 HydrophobicContact CG2-CG1 3.47Å; I41-I49 VanDerWaalsContact CG2-CG1 3.47Å; H46-I49 WeakPolarHBondContact O-CB 3.37Å; H46-I49 WeakPolarHBondContact O-CD1 3.32Å; H46-I49 VanDerWaalsContact O-CG1 3.25Å; H46-I49 WeakPolarHBondContact O-CG1 3.44Å; H46-I49 PolarHBondContact O-N 3.32Å; H46-I49 VanDerWaalsContact O-N 3.14Å; C47-I49 PolarHBondContact O-N 3.18Å; I49-K51 PolarHBondContact O-N 2.82Å; I49-Q53 VanDerWaalsContact O-CB 3.29Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.47Å; I49-L143 HydrophobicContact CD1-CD2 4.2Å; I49-E146 HydrophobicContact CG2-CB 3.81Å; I49-I147 HydrophobicContact CD1-CB 4.07Å; I49-I147 HydrophobicContact CD1-CG1 4.37Å; I49-M150 HydrophobicContact CB-SD 4.42Å; I49-M150 HydrophobicContact CG1-SD 4.45Å; I49-M150 HydrophobicContact CG2-CB 4.36Å; I49-M150 HydrophobicContact CG2-SD 4.36Å |
| 50 | G | 97 | Very high | 95.6 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D48 T54 | D48-G50 VanDerWaalsContact C-N 3.29Å; D48-G50 PolarHBondContact O-N 3.39Å; G50-T54 PolarHBondContact O-N 3.44Å; G50-T54 PolarHBondContact O-OG1 3.26Å |
| 51 | K | 98 | Very high | 95.4 | Very high | 90 Ų | 90 | 42 Ų | 42 | 39% | 0.391 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.3 | -51.3 | 178 | -59.3 | 179.5 | -170 | 159.6 | 0 | 110.7 | D48 I49 Q53 T54 L55 I76 | D48-K51 PolarHBondContact O-N 3.24Å; D48-K51 VanDerWaalsContact O-N 3.11Å; D48-K51 WeakPolarHBondContact OD1-CE 3.26Å; D48-K51 IonicContact OD1-NZ 3.77Å; D48-K51 PolarHBondContact OD1-NZ 2.78Å; I49-K51 PolarHBondContact O-N 2.82Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 3.16Å; K51-T54 WeakPolarHBondContact O-CB 3.39Å; K51-T54 PolarHBondContact O-N 3.19Å; K51-T54 VanDerWaalsContact O-N 3.09Å; K51-L55 WeakPolarHBondContact O-CG 3.44Å; K51-L55 PolarHBondContact O-N 3.26Å; K51-L55 VanDerWaalsContact O-N 3.07Å; K51-I76 HydrophobicContact CB-CD1 3.75Å; K51-I76 HydrophobicContact CB-CG1 4.05Å; K51-I76 HydrophobicContact CD-CG1 3.91Å |
| 52 | W | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.6 | -78.2 | 118.1 | 0 | 0 | 0 | 112.1 | Y36 D48 T54 L55 F56 L73 I76 L77 P87 A88 F91 M150 | Y36-W52 HydrophobicContact CE1-CZ2 4.18Å; Y36-W52 AromaticContact CE1-NE1 3.79Å; Y36-W52 AromaticContact CZ-NE1 3.71Å; Y36-W52 PolarHBondContact OH-NE1 2.85Å; Y36-W52 VanDerWaalsContact OH-NE1 3.07Å; D48-W52 WeakPolarHBondContact O-CB 3.45Å; D48-W52 PolarHBondContact O-N 3.01Å; W52-T54 VanDerWaalsContact C-N 3.25Å; W52-T54 PolarHBondContact O-N 3.26Å; W52-L55 HydrophobicContact CE3-CD1 3.89Å; W52-L55 HydrophobicContact CZ3-CD1 4.04Å; W52-L55 PolarHBondContact O-N 3.32Å; W52-L55 VanDerWaalsContact O-N 3.1Å; W52-F56 HydrophobicContact CB-CE2 4.33Å; W52-F56 HydrophobicContact CE3-CE2 4.24Å; W52-F56 HydrophobicContact CE3-CZ 4.45Å; W52-F56 WeakPolarHBondContact O-CD2 3.3Å; W52-F56 PolarHBondContact O-N 2.99Å; W52-L73 HydrophobicContact CH2-CD2 3.63Å; W52-L73 HydrophobicContact CZ3-CD2 3.45Å; W52-L73 VanDerWaalsContact CZ3-CD2 3.45Å; W52-I76 HydrophobicContact CD2-CD1 3.8Å; W52-I76 HydrophobicContact CE3-CD1 4.21Å; W52-I76 HydrophobicContact CG-CD1 4.13Å; W52-I76 HydrophobicContact CZ2-CB 4.41Å; W52-I76 HydrophobicContact CZ2-CD1 4.19Å; W52-I76 HydrophobicContact CZ2-CG2 3.61Å; W52-L77 HydrophobicContact CZ2-CD2 4.42Å; W52-P87 HydrophobicContact CB-CG 4.14Å; W52-P87 HydrophobicContact CD2-CB 4.02Å; W52-P87 HydrophobicContact CD2-CG 3.28Å; W52-P87 VanDerWaalsContact CE2-CG 3.41Å; W52-P87 HydrophobicContact CE3-CB 4.08Å; W52-P87 HydrophobicContact CE3-CG 3.81Å; W52-P87 HydrophobicContact CG-CB 4.25Å; W52-P87 HydrophobicContact CG-CG 3.43Å; W52-P87 VanDerWaalsContact CG-CG 3.43Å; W52-P87 HydrophobicContact CZ2-CG 4.05Å; W52-P87 HydrophobicContact CZ3-CG 4.39Å; W52-A88 HydrophobicContact CH2-CB 3.67Å; W52-A88 HydrophobicContact CZ2-CB 4.02Å; W52-A88 HydrophobicContact CZ3-CB 4.5Å; W52-F91 HydrophobicContact CE3-CD2 4.35Å; W52-F91 HydrophobicContact CE3-CE2 4.25Å; W52-F91 AromaticContact CZ3-CD2 3.75Å; W52-F91 HydrophobicContact CZ3-CD2 3.75Å; W52-F91 HydrophobicContact CZ3-CE2 4.07Å; W52-M150 HydrophobicContact CB-CG 3.75Å; W52-M150 HydrophobicContact CB-SD 3.53Å; W52-M150 VanDerWaalsContact CB-SD 3.53Å; W52-M150 HydrophobicContact CG-SD 4.05Å |
| 53 | Q | 98.1 | Very high | 94.3 | Very high | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 176.2 | -175.8 | 59.5 | 62 | 0 | 0 | 112.3 | I49 K51 F56 T57 K149 M150 D153 | I49-Q53 VanDerWaalsContact O-CB 3.29Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.47Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 3.16Å; Q53-F56 PolarHBondContact O-N 3.39Å; Q53-T57 PolarHBondContact NE2-OG1 3.44Å; Q53-T57 WeakPolarHBondContact O-CB 3.37Å; Q53-T57 PolarHBondContact O-N 3.14Å; Q53-T57 PolarHBondContact O-OG1 3.18Å; Q53-K149 VanDerWaalsContact NE2-CE 3.3Å; Q53-K149 VanDerWaalsContact OE1-C 3.3Å; Q53-K149 VanDerWaalsContact OE1-CG 3.28Å; Q53-M150 VanDerWaalsContact OE1-CA 3.3Å; Q53-M150 VanDerWaalsContact OE1-N 3.12Å; Q53-D153 PolarHBondContact NE2-OD2 2.95Å |
| 54 | T | 97.7 | Very high | 94.2 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | G50 K51 W52 T57 E58 M68 | G50-T54 PolarHBondContact O-N 3.44Å; G50-T54 PolarHBondContact O-OG1 3.26Å; K51-T54 WeakPolarHBondContact O-CB 3.39Å; K51-T54 PolarHBondContact O-N 3.19Å; K51-T54 VanDerWaalsContact O-N 3.09Å; W52-T54 VanDerWaalsContact C-N 3.25Å; W52-T54 PolarHBondContact O-N 3.26Å; T54-T57 PolarHBondContact O-N 3.43Å; T54-E58 PolarHBondContact O-N 3.14Å; T54-E58 VanDerWaalsContact O-N 3.09Å; T54-M68 HydrophobicContact CG2-CE 3.45Å; T54-M68 VanDerWaalsContact CG2-CE 3.45Å |
| 55 | L | 98.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.9 | -58.2 | 178 | 0 | 0 | 0 | 112.5 | K51 W52 E58 A59 M68 L73 I76 F91 | K51-L55 WeakPolarHBondContact O-CG 3.44Å; K51-L55 PolarHBondContact O-N 3.26Å; K51-L55 VanDerWaalsContact O-N 3.07Å; W52-L55 HydrophobicContact CE3-CD1 3.89Å; W52-L55 HydrophobicContact CZ3-CD1 4.04Å; W52-L55 PolarHBondContact O-N 3.32Å; W52-L55 VanDerWaalsContact O-N 3.1Å; L55-E58 PolarHBondContact O-N 3.09Å; L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 2.83Å; L55-M68 HydrophobicContact CD2-CE 4.46Å; L55-M68 HydrophobicContact CD2-SD 3.8Å; L55-L73 HydrophobicContact CD1-CD2 4Å; L55-L73 HydrophobicContact CD1-CG 4.23Å; L55-I76 HydrophobicContact CD1-CD1 3.64Å; L55-F91 HydrophobicContact CB-CE2 4.09Å; L55-F91 HydrophobicContact CB-CZ 3.98Å |
| 56 | F | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -35 | 177 | -70.5 | -59.8 | 0 | 0 | 0 | 113.2 | W52 Q53 E58 A59 L60 P87 A90 F91 M150 D153 S154 Y157 | W52-F56 HydrophobicContact CB-CE2 4.33Å; W52-F56 HydrophobicContact CE3-CE2 4.24Å; W52-F56 HydrophobicContact CE3-CZ 4.45Å; W52-F56 WeakPolarHBondContact O-CD2 3.3Å; W52-F56 PolarHBondContact O-N 2.99Å; Q53-F56 PolarHBondContact O-N 3.39Å; F56-E58 PolarHBondContact O-N 2.94Å; F56-A59 PolarHBondContact O-N 2.9Å; F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CD1 3.28Å; F56-L60 VanDerWaalsContact O-CG 3.22Å; F56-L60 WeakPolarHBondContact O-CG 3.38Å; F56-L60 PolarHBondContact O-N 3.02Å; F56-P87 HydrophobicContact CE2-CB 3.46Å; F56-P87 VanDerWaalsContact CE2-CB 3.46Å; F56-P87 HydrophobicContact CZ-CB 3.62Å; F56-A90 HydrophobicContact CE1-CB 3.87Å; F56-A90 HydrophobicContact CZ-CB 4.21Å; F56-F91 AromaticContact CD1-CE2 3.64Å; F56-F91 HydrophobicContact CD1-CE2 3.64Å; F56-F91 AromaticContact CD1-CZ 3.75Å; F56-F91 HydrophobicContact CD1-CZ 3.75Å; F56-F91 AromaticContact CE1-CD2 3.81Å; F56-F91 HydrophobicContact CE1-CD2 3.81Å; F56-F91 AromaticContact CE1-CE2 3.15Å; F56-F91 HydrophobicContact CE1-CE2 3.15Å; F56-F91 AromaticContact CE1-CZ 3.69Å; F56-F91 HydrophobicContact CE1-CZ 3.69Å; F56-F91 HydrophobicContact CE2-CE2 4.23Å; F56-F91 HydrophobicContact CG-CE2 4.32Å; F56-F91 HydrophobicContact CG-CZ 4.5Å; F56-F91 AromaticContact CZ-CD2 3.97Å; F56-F91 HydrophobicContact CZ-CD2 3.97Å; F56-F91 AromaticContact CZ-CE2 3.49Å; F56-F91 HydrophobicContact CZ-CE2 3.49Å; F56-F91 VanDerWaalsContact CZ-CE2 3.49Å; F56-F91 HydrophobicContact CZ-CZ 4.42Å; F56-M150 HydrophobicContact CD2-CG 4.47Å; F56-M150 HydrophobicContact CE2-CG 4.38Å; F56-D153 HydrophobicContact CB-CB 3.91Å; F56-D153 HydrophobicContact CG-CB 4.3Å; F56-S154 VanDerWaalsContact CE1-CA 3.47Å; F56-S154 VanDerWaalsContact CE2-CB 3.45Å; F56-S154 VanDerWaalsContact CZ-CA 3.48Å; F56-Y157 HydrophobicContact CD1-CD1 4.38Å; F56-Y157 HydrophobicContact CD1-CG 4.33Å; F56-Y157 HydrophobicContact CE1-CD1 4.15Å; F56-Y157 HydrophobicContact CE1-CG 4.45Å |
| 57 | T | 96.2 | Very high | 94.4 | Very high | 67 Ų | 67 | 60.7 Ų | 60.7 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 173.5 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | Q53 T54 N61 | Q53-T57 PolarHBondContact NE2-OG1 3.44Å; Q53-T57 WeakPolarHBondContact O-CB 3.37Å; Q53-T57 PolarHBondContact O-N 3.14Å; Q53-T57 PolarHBondContact O-OG1 3.18Å; T54-T57 PolarHBondContact O-N 3.43Å; T57-N61 PolarHBondContact O-N 3.4Å; T57-N61 PolarHBondContact O-ND2 3.48Å; T57-N61 VanDerWaalsContact O-ND2 3.11Å; T57-N61 PolarHBondContact O-OD1 3.02Å |
| 58 | E | 96.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 176.4 | -171.7 | 54.3 | -148.1 | 0 | 0 | 112.9 | T54 L55 F56 L60 N61 T64 D65 I69 | T54-E58 PolarHBondContact O-N 3.14Å; T54-E58 VanDerWaalsContact O-N 3.09Å; L55-E58 PolarHBondContact O-N 3.09Å; F56-E58 PolarHBondContact O-N 2.94Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-N61 WeakPolarHBondContact O-CB 3.34Å; E58-N61 PolarHBondContact O-N 2.95Å; E58-N61 VanDerWaalsContact O-N 3.09Å; E58-N61 PolarHBondContact OE2-ND2 3.23Å; E58-T64 WeakPolarHBondContact OE1-CA 3.5Å; E58-D65 HydrophobicContact CG-CB 4.42Å; E58-D65 PolarHBondContact OE1-N 2.92Å; E58-I69 HydrophobicContact CB-CG1 4.45Å; E58-I69 HydrophobicContact CG-CD1 4.36Å; E58-I69 HydrophobicContact CG-CG1 4.2Å |
| 59 | A | 96.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -27.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L55 F56 I69 F91 Y157 | L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 2.83Å; F56-A59 PolarHBondContact O-N 2.9Å; A59-I69 HydrophobicContact CB-CD1 3.84Å; A59-F91 HydrophobicContact CB-CE1 3.66Å; A59-F91 HydrophobicContact CB-CZ 3.75Å; A59-Y157 HydrophobicContact CB-CD2 3.97Å; A59-Y157 HydrophobicContact CB-CE1 4.28Å; A59-Y157 HydrophobicContact CB-CE2 3.66Å; A59-Y157 HydrophobicContact CB-CG 4.42Å |
| 60 | L | 93.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.9 | 175.6 | -65.7 | 168.7 | 0 | 0 | 0 | 112.8 | F56 E58 D153 Y157 | F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CD1 3.28Å; F56-L60 VanDerWaalsContact O-CG 3.22Å; F56-L60 WeakPolarHBondContact O-CG 3.38Å; F56-L60 PolarHBondContact O-N 3.02Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-D153 HydrophobicContact CD1-CB 3.88Å; L60-Y157 HydrophobicContact CD2-CD2 4.07Å |
| 61 | N | 90.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.9 | 150.1 | 173.9 | -73.1 | -29.9 | 0 | 0 | 0 | 111.3 | T57 E58 T63 T64 | T57-N61 PolarHBondContact O-N 3.4Å; T57-N61 PolarHBondContact O-ND2 3.48Å; T57-N61 VanDerWaalsContact O-ND2 3.11Å; T57-N61 PolarHBondContact O-OD1 3.02Å; E58-N61 WeakPolarHBondContact O-CB 3.34Å; E58-N61 PolarHBondContact O-N 2.95Å; E58-N61 VanDerWaalsContact O-N 3.09Å; E58-N61 PolarHBondContact OE2-ND2 3.23Å; N61-T63 PolarHBondContact O-N 3.42Å; N61-T64 PolarHBondContact O-OG1 3.45Å |
| 62 | M | 80.9 | Confident | 94.5 | Very high | 198 Ų | 198 | 60.3 Ų | 60.3 | 98% | 0.975 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -64 | -25.4 | 176.1 | -65.5 | -176.6 | -66.7 | 0 | 0 | 113.8 | ||
| 63 | T | 84.9 | Confident | 94.5 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 74% | 0.742 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -118.1 | 76.1 | -180 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | N61 | N61-T63 PolarHBondContact O-N 3.42Š|
| 64 | T | 87.2 | Confident | 94.5 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | trans | -71.7 | 126.2 | -176.8 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | E58 N61 E66 I69 | E58-T64 WeakPolarHBondContact OE1-CA 3.5Å; N61-T64 PolarHBondContact O-OG1 3.45Å; T64-E66 PolarHBondContact O-N 3.12Å; T64-I69 HydrophobicContact CG2-CD1 3.33Å | ||
| 65 | D | 92.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -84.1 | 91.6 | 165.9 | -174.4 | -13.6 | 0 | 0 | 0 | 110.5 | E58 T67 M68 I69 | E58-D65 HydrophobicContact CG-CB 4.42Å; E58-D65 PolarHBondContact OE1-N 2.92Å; D65-T67 PolarHBondContact O-N 2.85Å; D65-T67 WeakPolarHBondContact OD1-CA 3.42Å; D65-T67 WeakPolarHBondContact OD1-CB 3.43Å; D65-T67 PolarHBondContact OD1-N 3.45Å; D65-M68 HydrophobicContact CB-CB 3.84Å; D65-M68 VanDerWaalsContact CG-CB 3.5Å; D65-M68 WeakPolarHBondContact O-CB 3.35Å; D65-M68 PolarHBondContact O-N 2.79Å; D65-M68 PolarHBondContact OD1-N 3.37Å; D65-I69 PolarHBondContact O-N 3.45Å; D65-I69 VanDerWaalsContact O-N 3.11Å | ||
| 66 | E | 93.5 | Very high | 94.4 | Very high | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -31.8 | 177.6 | -171.7 | 179.1 | 173.5 | 0 | 0 | 112.4 | T64 I69 H70 | T64-E66 PolarHBondContact O-N 3.12Å; E66-I69 PolarHBondContact O-N 3.3Å; E66-H70 WeakPolarHBondContact CG-NE2 3.22Å; E66-H70 WeakPolarHBondContact O-CB 3.42Å; E66-H70 PolarHBondContact O-CD2 3.46Å; E66-H70 VanDerWaalsContact O-CG 3.27Å; E66-H70 PolarHBondContact O-N 2.96Å; E66-H70 IonicContact OE1-CE1 2.88Å; E66-H70 PolarHBondContact OE1-CE1 2.85Å; E66-H70 IonicContact OE1-NE2 3.89Å; E66-H70 PolarHBondContact OE1-NE2 2.86Å |
| 67 | T | 95.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 63 Ų | 63 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.3 | -40.2 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | D65 R71 | D65-T67 PolarHBondContact O-N 2.85Å; D65-T67 WeakPolarHBondContact OD1-CA 3.42Å; D65-T67 WeakPolarHBondContact OD1-CB 3.43Å; D65-T67 PolarHBondContact OD1-N 3.45Å; T67-R71 WeakPolarHBondContact O-CB 3.39Å; T67-R71 PolarHBondContact O-N 2.88Å |
| 68 | M | 96.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -48 | 173.3 | -172.5 | -70.1 | -162 | 0 | 0 | 110.7 | T54 L55 D65 H70 R71 G72 | T54-M68 HydrophobicContact CG2-CE 3.45Å; T54-M68 VanDerWaalsContact CG2-CE 3.45Å; L55-M68 HydrophobicContact CD2-CE 4.46Å; L55-M68 HydrophobicContact CD2-SD 3.8Å; D65-M68 HydrophobicContact CB-CB 3.84Å; D65-M68 VanDerWaalsContact CG-CB 3.5Å; D65-M68 WeakPolarHBondContact O-CB 3.35Å; D65-M68 PolarHBondContact O-N 2.79Å; D65-M68 PolarHBondContact OD1-N 3.37Å; M68-H70 PolarHBondContact O-N 3.39Å; M68-R71 PolarHBondContact O-N 2.86Å; M68-G72 PolarHBondContact O-N 3.37Å |
| 69 | I | 97.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 178.6 | -68 | 175.1 | 0 | 0 | 0 | 110.7 | E58 A59 T64 D65 E66 R71 G72 L73 F91 E94 | E58-I69 HydrophobicContact CB-CG1 4.45Å; E58-I69 HydrophobicContact CG-CD1 4.36Å; E58-I69 HydrophobicContact CG-CG1 4.2Å; A59-I69 HydrophobicContact CB-CD1 3.84Å; T64-I69 HydrophobicContact CG2-CD1 3.33Å; D65-I69 PolarHBondContact O-N 3.45Å; D65-I69 VanDerWaalsContact O-N 3.11Å; E66-I69 PolarHBondContact O-N 3.3Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 2.7Å; I69-G72 PolarHBondContact O-N 2.86Å; I69-L73 HydrophobicContact CG2-CD1 3.69Å; I69-L73 HydrophobicContact CG2-CG 4.15Å; I69-L73 WeakPolarHBondContact O-CB 3.49Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 2.62Å; I69-F91 HydrophobicContact CD1-CE1 4.31Å; I69-F91 HydrophobicContact CG2-CD1 4.06Å; I69-F91 HydrophobicContact CG2-CE1 3.86Å; I69-E94 HydrophobicContact CG2-CB 4.5Å; I69-E94 HydrophobicContact CG2-CG 4.25Å |
| 70 | H | 97.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | -178.7 | -74.6 | -169.9 | 0 | 0 | 0 | 113 | E66 M68 S74 I98 | E66-H70 WeakPolarHBondContact CG-NE2 3.22Å; E66-H70 WeakPolarHBondContact O-CB 3.42Å; E66-H70 PolarHBondContact O-CD2 3.46Å; E66-H70 VanDerWaalsContact O-CG 3.27Å; E66-H70 PolarHBondContact O-N 2.96Å; E66-H70 IonicContact OE1-CE1 2.88Å; E66-H70 PolarHBondContact OE1-CE1 2.85Å; E66-H70 IonicContact OE1-NE2 3.89Å; E66-H70 PolarHBondContact OE1-NE2 2.86Å; M68-H70 PolarHBondContact O-N 3.39Å; H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.69Å; H70-S74 VanDerWaalsContact O-N 3.08Å; H70-S74 PolarHBondContact O-OG 3.14Å; H70-I98 HydrophobicContact CB-CD1 3.98Å; H70-I98 HydrophobicContact CB-CG1 3.98Å |
| 71 | R | 97.5 | Very high | 94.7 | Very high | 133 Ų | 133 | 62.1 Ų | 62.1 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 175.3 | -176.2 | 175.9 | 58 | 75 | 3.6 | 111.3 | T67 M68 I69 L73 S74 E75 | T67-R71 WeakPolarHBondContact O-CB 3.39Å; T67-R71 PolarHBondContact O-N 2.88Å; M68-R71 PolarHBondContact O-N 2.86Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 2.7Å; R71-L73 PolarHBondContact O-N 3.46Å; R71-S74 PolarHBondContact O-N 2.93Å; R71-E75 HydrophobicContact CG-CG 4.5Å; R71-E75 VanDerWaalsContact CG-OE1 3.31Å; R71-E75 WeakPolarHBondContact CG-OE1 3.48Å; R71-E75 IonicContact CZ-OE1 3.9Å; R71-E75 IonicContact NH1-OE1 2.81Å; R71-E75 PolarHBondContact NH1-OE1 3.38Å; R71-E75 IonicContact NH1-OE2 3.19Å; R71-E75 WeakPolarHBondContact O-CG 3.42Å; R71-E75 PolarHBondContact O-N 3.45Å |
| 72 | G | 98.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M68 I69 E75 I76 | M68-G72 PolarHBondContact O-N 3.37Å; I69-G72 PolarHBondContact O-N 2.86Å; G72-E75 PolarHBondContact O-N 2.81Å; G72-I76 VanDerWaalsContact O-CG1 3.28Å; G72-I76 WeakPolarHBondContact O-CG1 3.2Å; G72-I76 PolarHBondContact O-N 2.97Å |
| 73 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 172.7 | -72.1 | 172.8 | 0 | 0 | 0 | 111.4 | W52 L55 I69 R71 E75 I76 L77 F91 E94 L95 I98 | W52-L73 HydrophobicContact CH2-CD2 3.63Å; W52-L73 HydrophobicContact CZ3-CD2 3.45Å; W52-L73 VanDerWaalsContact CZ3-CD2 3.45Å; L55-L73 HydrophobicContact CD1-CD2 4Å; L55-L73 HydrophobicContact CD1-CG 4.23Å; I69-L73 HydrophobicContact CG2-CD1 3.69Å; I69-L73 HydrophobicContact CG2-CG 4.15Å; I69-L73 WeakPolarHBondContact O-CB 3.49Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 2.62Å; R71-L73 PolarHBondContact O-N 3.46Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 2.95Å; L73-I76 PolarHBondContact O-N 3.35Å; L73-L77 WeakPolarHBondContact O-CB 3.29Å; L73-L77 VanDerWaalsContact O-CG 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 2.96Å; L73-F91 HydrophobicContact CD1-CB 4.05Å; L73-F91 HydrophobicContact CD1-CD1 4.41Å; L73-F91 HydrophobicContact CD1-CG 4.26Å; L73-F91 HydrophobicContact CD2-CB 4.03Å; L73-F91 HydrophobicContact CD2-CD2 3.99Å; L73-F91 HydrophobicContact CD2-CG 4.05Å; L73-E94 HydrophobicContact CD1-CB 3.7Å; L73-L95 HydrophobicContact CB-CD2 4.23Å; L73-L95 HydrophobicContact CD1-CD2 4.21Å; L73-L95 HydrophobicContact CD1-CG 4.43Å; L73-L95 HydrophobicContact CD2-CD2 4.34Å; L73-I98 HydrophobicContact CB-CD1 3.87Å; L73-I98 HydrophobicContact CD1-CD1 3.83Å |
| 74 | S | 97.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 178.5 | -56 | 0 | 0 | 0 | 0 | 112.1 | H70 R71 D78 | H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.69Å; H70-S74 VanDerWaalsContact O-N 3.08Å; H70-S74 PolarHBondContact O-OG 3.14Å; R71-S74 PolarHBondContact O-N 2.93Å; S74-D78 PolarHBondContact O-N 3Å; S74-D78 VanDerWaalsContact O-N 3.1Å |
| 75 | E | 97 | Very high | 97.1 | Very high | 111 Ų | 111 | 40.8 Ų | 40.8 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 177.6 | -75 | 170.9 | -169.4 | 0 | 0 | 113 | R71 G72 L73 | R71-E75 HydrophobicContact CG-CG 4.5Å; R71-E75 VanDerWaalsContact CG-OE1 3.31Å; R71-E75 WeakPolarHBondContact CG-OE1 3.48Å; R71-E75 IonicContact CZ-OE1 3.9Å; R71-E75 IonicContact NH1-OE1 2.81Å; R71-E75 PolarHBondContact NH1-OE1 3.38Å; R71-E75 IonicContact NH1-OE2 3.19Å; R71-E75 WeakPolarHBondContact O-CG 3.42Å; R71-E75 PolarHBondContact O-N 3.45Å; G72-E75 PolarHBondContact O-N 2.81Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 2.95Å |
| 76 | I | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -39.7 | 178.7 | -67.7 | 168.5 | 0 | 0 | 0 | 111.1 | Y36 K51 W52 L55 G72 L73 | Y36-I76 HydrophobicContact CE2-CG2 3.74Å; K51-I76 HydrophobicContact CB-CD1 3.75Å; K51-I76 HydrophobicContact CB-CG1 4.05Å; K51-I76 HydrophobicContact CD-CG1 3.91Å; W52-I76 HydrophobicContact CD2-CD1 3.8Å; W52-I76 HydrophobicContact CE3-CD1 4.21Å; W52-I76 HydrophobicContact CG-CD1 4.13Å; W52-I76 HydrophobicContact CZ2-CB 4.41Å; W52-I76 HydrophobicContact CZ2-CD1 4.19Å; W52-I76 HydrophobicContact CZ2-CG2 3.61Å; L55-I76 HydrophobicContact CD1-CD1 3.64Å; G72-I76 VanDerWaalsContact O-CG1 3.28Å; G72-I76 WeakPolarHBondContact O-CG1 3.2Å; G72-I76 PolarHBondContact O-N 2.97Å; L73-I76 PolarHBondContact O-N 3.35Å |
| 77 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -94.1 | 3.7 | -171.8 | -58.7 | 171.1 | 0 | 0 | 0 | 113.1 | L8 Y36 W52 L73 G79 Y80 V83 L95 | L8-L77 HydrophobicContact CD1-CB 4.21Å; L8-L77 HydrophobicContact CD1-CD1 3.78Å; Y36-L77 HydrophobicContact CD1-CD2 4.09Å; Y36-L77 HydrophobicContact CD2-CD2 3.82Å; Y36-L77 HydrophobicContact CE2-CD2 4.47Å; Y36-L77 HydrophobicContact CG-CD2 3.62Å; W52-L77 HydrophobicContact CZ2-CD2 4.42Å; L73-L77 WeakPolarHBondContact O-CB 3.29Å; L73-L77 VanDerWaalsContact O-CG 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 2.96Å; L77-G79 PolarHBondContact O-N 3.49Å; L77-Y80 PolarHBondContact O-N 3.26Å; L77-Y80 VanDerWaalsContact O-N 3.12Å; L77-V83 HydrophobicContact CD1-CG1 4.5Å; L77-V83 HydrophobicContact CD2-CB 4.12Å; L77-V83 HydrophobicContact CD2-CG2 3.86Å; L77-L95 HydrophobicContact CD1-CD1 4.41Å; L77-L95 HydrophobicContact CD1-CD2 3.41Å; L77-L95 VanDerWaalsContact CD1-CD2 3.41Å |
| 78 | D | 96 | Very high | 97.8 | Very high | 106 Ų | 106 | 26.8 Ų | 26.8 | 57% | 0.567 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.8 | 173.5 | -175.8 | 48.6 | 0 | 0 | 0 | 111.3 | S74 Y80 | S74-D78 PolarHBondContact O-N 3Å; S74-D78 VanDerWaalsContact O-N 3.1Å; D78-Y80 VanDerWaalsContact C-N 3.32Å; D78-Y80 WeakPolarHBondContact O-CD2 3.39Å; D78-Y80 PolarHBondContact O-N 3.2Å |
| 79 | G | 95.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 33% | 0.33 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -5.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P34 L77 | P34-G79 WeakPolarHBondContact CG-O 3.45Å; L77-G79 PolarHBondContact O-N 3.49Å |
| 80 | Y | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | trans | -95.5 | 141.4 | 176.6 | -65.6 | -91.2 | 0 | 0 | 0 | 111.9 | L8 P34 Y36 E40 L77 D78 | L8-Y80 WeakPolarHBondContact CD2-O 3.46Å; P34-Y80 HydrophobicContact CB-CD1 3.73Å; P34-Y80 HydrophobicContact CB-CE1 3.9Å; P34-Y80 HydrophobicContact CG-CD1 4.07Å; P34-Y80 HydrophobicContact CG-CE1 4.46Å; P34-Y80 WeakPolarHBondContact O-CA 3.39Å; Y36-Y80 HydrophobicContact CD2-CD1 4.27Å; Y36-Y80 AromaticContact CD2-CD2 3.78Å; Y36-Y80 HydrophobicContact CD2-CD2 3.78Å; Y36-Y80 AromaticContact CD2-CE1 3.92Å; Y36-Y80 HydrophobicContact CD2-CE1 3.92Å; Y36-Y80 AromaticContact CD2-CE2 3.41Å; Y36-Y80 HydrophobicContact CD2-CE2 3.41Å; Y36-Y80 VanDerWaalsContact CD2-CE2 3.41Å; Y36-Y80 HydrophobicContact CD2-CG 4.19Å; Y36-Y80 AromaticContact CD2-CZ 3.46Å; Y36-Y80 VanDerWaalsContact CD2-CZ 3.46Å; Y36-Y80 HydrophobicContact CE2-CE2 4.03Å; Y36-Y80 HydrophobicContact CG-CE1 4.38Å; Y36-Y80 HydrophobicContact CG-CE2 4.47Å; E40-Y80 HydrophobicContact CG-CE1 4.47Å; L77-Y80 PolarHBondContact O-N 3.26Å; L77-Y80 VanDerWaalsContact O-N 3.12Å; D78-Y80 VanDerWaalsContact C-N 3.32Å; D78-Y80 WeakPolarHBondContact O-CD2 3.39Å; D78-Y80 PolarHBondContact O-N 3.2Å | ||
| 81 | V | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -89.1 | -22.1 | 175.8 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | L9 V10 Y31 K33 P34 | L9-V81 HydrophobicContact CB-CG2 4.21Å; L9-V81 HydrophobicContact CD1-CG2 3.66Å; L9-V81 HydrophobicContact CG-CG2 3.8Å; L9-V81 PolarHBondContact N-O 2.9Å; V10-V81 PolarHBondContact N-O 3.27Å; Y31-V81 HydrophobicContact CD1-CG2 4.45Å; Y31-V81 HydrophobicContact CD2-CG1 4.18Å; Y31-V81 HydrophobicContact CD2-CG2 4.4Å; Y31-V81 HydrophobicContact CG-CG1 4.24Å; Y31-V81 HydrophobicContact CG-CG2 4.09Å; K33-V81 HydrophobicContact CB-CB 3.76Å; K33-V81 HydrophobicContact CB-CG1 3.62Å; K33-V81 HydrophobicContact CB-CG2 4.47Å; K33-V81 HydrophobicContact CD-CB 4.17Å; K33-V81 HydrophobicContact CD-CG2 4.31Å; P34-V81 PolarHBondContact O-N 2.92Å |
| 82 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 163.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V10 L27 C35 Y36 | V10-A82 HydrophobicContact CB-CB 3.91Å; V10-A82 VanDerWaalsContact O-CA 3.26Å; V10-A82 WeakPolarHBondContact O-CA 3.25Å; L27-A82 HydrophobicContact CB-CB 4.33Å; L27-A82 HydrophobicContact CD1-CB 3.79Å; C35-A82 CarbonylContact C-O 3.55Å; C35-A82 VanDerWaalsContact CA-O 3.3Å; C35-A82 WeakPolarHBondContact CA-O 3.49Å; C35-A82 HydrophobicContact CB-CB 3.99Å; Y36-A82 PolarHBondContact N-O 3.35Å |
| 83 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.2 | 174.6 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | L8 V10 G12 Y36 L77 A88 L95 | L8-V83 HydrophobicContact CD1-CB 4.46Å; L8-V83 HydrophobicContact CD1-CG1 3.75Å; L8-V83 HydrophobicContact CD2-CB 4.42Å; L8-V83 HydrophobicContact CD2-CG1 4.33Å; V10-V83 PolarHBondContact O-N 3.35Å; V10-V83 VanDerWaalsContact O-N 3.14Å; G12-V83 VanDerWaalsContact CA-O 3.31Å; G12-V83 WeakPolarHBondContact CA-O 3.28Å; G12-V83 PolarHBondContact N-O 3.39Å; Y36-V83 HydrophobicContact CD1-CG2 4.35Å; Y36-V83 CarbonylContact O-C 3.48Å; Y36-V83 WeakPolarHBondContact O-CA 3.4Å; L77-V83 HydrophobicContact CD1-CG1 4.5Å; L77-V83 HydrophobicContact CD2-CB 4.12Å; L77-V83 HydrophobicContact CD2-CG2 3.86Å; V83-A88 HydrophobicContact CG2-CB 3.22Å; V83-L95 HydrophobicContact CG1-CD1 4.03Å |
| 84 | T | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | trans | -145.1 | 164.9 | 180 | 55.4 | 0 | 0 | 0 | 0 | 110 | L23 L27 Y36 H37 | L23-T84 HydrophobicContact CB-CG2 4.5Å; L23-T84 HydrophobicContact CD2-CG2 3.87Å; L23-T84 HydrophobicContact CG-CG2 4.06Å; L27-T84 HydrophobicContact CD1-CG2 4.15Å; Y36-T84 PolarHBondContact O-N 2.88Å; Y36-T84 PolarHBondContact O-OG1 3.26Å; H37-T84 WeakPolarHBondContact CA-O 3.45Å; H37-T84 PolarHBondContact CD2-OG1 3.44Å; H37-T84 VanDerWaalsContact CD2-OG1 3.29Å | ||
| 85 | D | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 68.4 | 177.4 | 174.8 | -155.4 | 31.6 | 0 | 0 | 0 | 114.6 | P16 T20 H37 M38 A88 C89 | P16-D85 WeakPolarHBondContact CA-OD1 3.31Å; P16-D85 WeakPolarHBondContact CB-OD1 3.36Å; T20-D85 HydrophobicContact CG2-CB 4.27Å; T20-D85 PolarHBondContact OG1-OD1 3.26Å; H37-D85 VanDerWaalsContact CE1-CG 3.46Å; H37-D85 IonicContact CE1-OD2 2.83Å; H37-D85 PolarHBondContact CE1-OD2 3.22Å; H37-D85 IonicContact ND1-OD2 3.85Å; H37-D85 PolarHBondContact ND1-OD2 2.98Å; H37-D85 IonicContact NE2-OD2 2.59Å; M38-D85 WeakPolarHBondContact CB-OD2 3.26Å; D85-A88 PolarHBondContact O-N 2.94Å; D85-C89 WeakPolarHBondContact O-CB 3.45Å; D85-C89 PolarHBondContact O-N 3.15Å |
| 86 | V | 98 | Very high | 98.1 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 152.5 | 164 | -79.4 | 0 | 0 | 0 | 0 | 110.9 | P16 M38 L155 | P16-V86 HydrophobicContact CB-CG2 4.16Å; P16-V86 HydrophobicContact CG-CG1 4.26Å; P16-V86 HydrophobicContact CG-CG2 4.09Å; M38-V86 WeakPolarHBondContact CB-O 3.46Å; M38-V86 HydrophobicContact CE-CB 4.09Å; M38-V86 HydrophobicContact CE-CG2 3.59Å; M38-V86 PolarHBondContact N-O 3.36Å; V86-L155 HydrophobicContact CG1-CD2 4.2Å |
| 87 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.6 | -18 | -4.3 | 28.6 | -33.8 | 0 | 0 | 0 | 114.3 | I41 W52 F56 C89 A90 M150 | I41-P87 VanDerWaalsContact CD1-CD 3.49Å; I41-P87 HydrophobicContact CD1-CG 3.93Å; W52-P87 HydrophobicContact CB-CG 4.14Å; W52-P87 HydrophobicContact CD2-CB 4.02Å; W52-P87 HydrophobicContact CD2-CG 3.28Å; W52-P87 VanDerWaalsContact CE2-CG 3.41Å; W52-P87 HydrophobicContact CE3-CB 4.08Å; W52-P87 HydrophobicContact CE3-CG 3.81Å; W52-P87 HydrophobicContact CG-CB 4.25Å; W52-P87 HydrophobicContact CG-CG 3.43Å; W52-P87 VanDerWaalsContact CG-CG 3.43Å; W52-P87 HydrophobicContact CZ2-CG 4.05Å; W52-P87 HydrophobicContact CZ3-CG 4.39Å; F56-P87 HydrophobicContact CE2-CB 3.46Å; F56-P87 VanDerWaalsContact CE2-CB 3.46Å; F56-P87 HydrophobicContact CZ-CB 3.62Å; P87-C89 VanDerWaalsContact C-N 3.33Å; P87-C89 PolarHBondContact O-N 2.83Å; P87-A90 WeakPolarHBondContact O-CB 3.44Å; P87-A90 PolarHBondContact O-N 3.34Å; P87-M150 HydrophobicContact CG-CE 4.37Å; P87-M150 HydrophobicContact CG-SD 4.17Å |
| 88 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -66 | -28.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W52 V83 D85 A90 F91 | W52-A88 HydrophobicContact CH2-CB 3.67Å; W52-A88 HydrophobicContact CZ2-CB 4.02Å; W52-A88 HydrophobicContact CZ3-CB 4.5Å; V83-A88 HydrophobicContact CG2-CB 3.22Å; D85-A88 PolarHBondContact O-N 2.94Å; A88-A90 PolarHBondContact O-N 3.26Å; A88-A90 VanDerWaalsContact O-N 3.07Å; A88-F91 PolarHBondContact O-N 2.72Å |
| 89 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -57.6 | -24.2 | 177.9 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | G14 D85 P87 F91 Y92 Y179 | G14-C89 WeakPolarHBondContact O-CB 3.34Å; D85-C89 WeakPolarHBondContact O-CB 3.45Å; D85-C89 PolarHBondContact O-N 3.15Å; P87-C89 VanDerWaalsContact C-N 3.33Å; P87-C89 PolarHBondContact O-N 2.83Å; C89-F91 VanDerWaalsContact C-N 3.27Å; C89-F91 PolarHBondContact O-N 2.93Å; C89-Y92 WeakPolarHBondContact O-CD1 3.47Å; C89-Y179 PolarHBondContact O-OH 2.93Å |
| 90 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -68.6 | -27.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F56 P87 A88 S154 Y157 A158 | F56-A90 HydrophobicContact CE1-CB 3.87Å; F56-A90 HydrophobicContact CZ-CB 4.21Å; P87-A90 WeakPolarHBondContact O-CB 3.44Å; P87-A90 PolarHBondContact O-N 3.34Å; A88-A90 PolarHBondContact O-N 3.26Å; A88-A90 VanDerWaalsContact O-N 3.07Å; A90-S154 WeakPolarHBondContact CB-O 3.37Å; A90-Y157 HydrophobicContact CB-CD1 3.92Å; A90-Y157 WeakPolarHBondContact O-CE1 3.34Å; A90-A158 HydrophobicContact CB-CB 3.88Å |
| 91 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -100.5 | 24.8 | -178.9 | -72.5 | -69.4 | 0 | 0 | 0 | 113.5 | W52 L55 F56 A59 I69 L73 A88 C89 R93 E94 L95 Y157 | W52-F91 HydrophobicContact CE3-CD2 4.35Å; W52-F91 HydrophobicContact CE3-CE2 4.25Å; W52-F91 AromaticContact CZ3-CD2 3.75Å; W52-F91 HydrophobicContact CZ3-CD2 3.75Å; W52-F91 HydrophobicContact CZ3-CE2 4.07Å; L55-F91 HydrophobicContact CB-CE2 4.09Å; L55-F91 HydrophobicContact CB-CZ 3.98Å; F56-F91 AromaticContact CD1-CE2 3.64Å; F56-F91 HydrophobicContact CD1-CE2 3.64Å; F56-F91 AromaticContact CD1-CZ 3.75Å; F56-F91 HydrophobicContact CD1-CZ 3.75Å; F56-F91 AromaticContact CE1-CD2 3.81Å; F56-F91 HydrophobicContact CE1-CD2 3.81Å; F56-F91 AromaticContact CE1-CE2 3.15Å; F56-F91 HydrophobicContact CE1-CE2 3.15Å; F56-F91 AromaticContact CE1-CZ 3.69Å; F56-F91 HydrophobicContact CE1-CZ 3.69Å; F56-F91 HydrophobicContact CE2-CE2 4.23Å; F56-F91 HydrophobicContact CG-CE2 4.32Å; F56-F91 HydrophobicContact CG-CZ 4.5Å; F56-F91 AromaticContact CZ-CD2 3.97Å; F56-F91 HydrophobicContact CZ-CD2 3.97Å; F56-F91 AromaticContact CZ-CE2 3.49Å; F56-F91 HydrophobicContact CZ-CE2 3.49Å; F56-F91 VanDerWaalsContact CZ-CE2 3.49Å; F56-F91 HydrophobicContact CZ-CZ 4.42Å; A59-F91 HydrophobicContact CB-CE1 3.66Å; A59-F91 HydrophobicContact CB-CZ 3.75Å; I69-F91 HydrophobicContact CD1-CE1 4.31Å; I69-F91 HydrophobicContact CG2-CD1 4.06Å; I69-F91 HydrophobicContact CG2-CE1 3.86Å; L73-F91 HydrophobicContact CD1-CB 4.05Å; L73-F91 HydrophobicContact CD1-CD1 4.41Å; L73-F91 HydrophobicContact CD1-CG 4.26Å; L73-F91 HydrophobicContact CD2-CB 4.03Å; L73-F91 HydrophobicContact CD2-CD2 3.99Å; L73-F91 HydrophobicContact CD2-CG 4.05Å; A88-F91 PolarHBondContact O-N 2.72Å; C89-F91 VanDerWaalsContact C-N 3.27Å; C89-F91 PolarHBondContact O-N 2.93Å; F91-R93 PolarHBondContact O-N 3.38Å; F91-R93 VanDerWaalsContact O-N 3.14Å; F91-E94 WeakPolarHBondContact CA-OE2 3.44Å; F91-E94 HydrophobicContact CB-CB 4.46Å; F91-E94 HydrophobicContact CD1-CB 4.43Å; F91-E94 HydrophobicContact CD1-CG 4.07Å; F91-E94 PolarHBondContact O-N 2.87Å; F91-L95 WeakPolarHBondContact O-CB 3.09Å; F91-L95 VanDerWaalsContact O-CG 3.27Å; F91-L95 WeakPolarHBondContact O-CG 3.02Å; F91-L95 PolarHBondContact O-N 3.37Å; F91-Y157 HydrophobicContact CD1-CD1 4.27Å; F91-Y157 AromaticContact CD1-CE1 3.59Å; F91-Y157 HydrophobicContact CD1-CE1 3.59Å; F91-Y157 HydrophobicContact CE1-CD1 4.06Å; F91-Y157 AromaticContact CE1-CE1 3.52Å; F91-Y157 HydrophobicContact CE1-CE1 3.52Å; F91-Y157 HydrophobicContact CG-CE1 4.33Å; F91-Y157 HydrophobicContact CZ-CD1 4.33Å; F91-Y157 HydrophobicContact CZ-CE1 4.24Å |
| 92 | Y | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.7 | -30.5 | -175.2 | 76.6 | -84.7 | 0 | 0 | 0 | 113 | A13 C89 M96 M182 V183 T186 V187 | A13-Y92 HydrophobicContact CB-CG 4.29Å; C89-Y92 WeakPolarHBondContact O-CD1 3.47Å; Y92-M96 HydrophobicContact CD2-SD 4.11Å; Y92-M96 WeakPolarHBondContact O-CB 3.47Å; Y92-M96 WeakPolarHBondContact O-CG 3.49Å; Y92-M96 PolarHBondContact O-N 2.92Å; Y92-M182 HydrophobicContact CE1-CE 4.47Å; Y92-V183 HydrophobicContact CD1-CG2 4.29Å; Y92-V183 HydrophobicContact CE1-CG2 3.87Å; Y92-V183 HydrophobicContact CE2-CG1 4.47Å; Y92-V183 HydrophobicContact CE2-CG2 4.36Å; Y92-T186 HydrophobicContact CE2-CG2 3.87Å; Y92-T186 WeakPolarHBondContact OH-CB 3.35Å; Y92-T186 PolarHBondContact OH-OG1 3.08Å; Y92-T186 VanDerWaalsContact OH-OG1 3.05Å; Y92-V187 HydrophobicContact CD2-CG2 4.04Å; Y92-V187 HydrophobicContact CE2-CG2 3.87Å |
| 93 | R | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 26.6 Ų | 26.6 | 22% | 0.219 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.4 | -47.8 | 179 | -70.3 | 179.7 | -76.6 | -105.6 | 1.4 | 111.5 | F91 L95 M96 S97 M182 T186 | F91-R93 PolarHBondContact O-N 3.38Å; F91-R93 VanDerWaalsContact O-N 3.14Å; R93-L95 VanDerWaalsContact C-N 3.35Å; R93-M96 WeakPolarHBondContact O-CB 3.21Å; R93-M96 PolarHBondContact O-N 3Å; R93-M96 VanDerWaalsContact O-N 3.14Å; R93-S97 PolarHBondContact O-N 2.97Å; R93-S97 PolarHBondContact O-OG 2.57Å; R93-M182 PolarHBondContact NH1-SD 3.42Å; R93-T186 HydrophobicContact CG-CG2 3.93Å |
| 94 | E | 98.1 | Very high | 98 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 178.2 | -62.3 | 82.6 | 167.7 | 0 | 0 | 109.7 | I69 L73 F91 M96 S97 I98 Y157 | I69-E94 HydrophobicContact CG2-CB 4.5Å; I69-E94 HydrophobicContact CG2-CG 4.25Å; L73-E94 HydrophobicContact CD1-CB 3.7Å; F91-E94 WeakPolarHBondContact CA-OE2 3.44Å; F91-E94 HydrophobicContact CB-CB 4.46Å; F91-E94 HydrophobicContact CD1-CB 4.43Å; F91-E94 HydrophobicContact CD1-CG 4.07Å; F91-E94 PolarHBondContact O-N 2.87Å; E94-M96 VanDerWaalsContact C-N 3.31Å; E94-M96 PolarHBondContact O-N 3.28Å; E94-S97 WeakPolarHBondContact O-CB 3.41Å; E94-S97 PolarHBondContact O-N 3.13Å; E94-S97 VanDerWaalsContact O-N 3.09Å; E94-I98 WeakPolarHBondContact O-CD1 3.35Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.46Å; E94-I98 PolarHBondContact O-N 2.89Å; E94-Y157 PolarHBondContact OE1-OH 3.06Å |
| 95 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 172.8 | -68 | 172.5 | 0 | 0 | 0 | 112.2 | L8 I11 L73 L77 V83 F91 R93 S97 I98 Y99 | L8-L95 HydrophobicContact CD1-CD2 4.24Å; I11-L95 HydrophobicContact CD1-CB 3.69Å; I11-L95 HydrophobicContact CG1-CB 4.12Å; I11-L95 HydrophobicContact CG2-CB 4.29Å; I11-L95 HydrophobicContact CG2-CD1 4.08Å; L73-L95 HydrophobicContact CB-CD2 4.23Å; L73-L95 HydrophobicContact CD1-CD2 4.21Å; L73-L95 HydrophobicContact CD1-CG 4.43Å; L73-L95 HydrophobicContact CD2-CD2 4.34Å; L77-L95 HydrophobicContact CD1-CD1 4.41Å; L77-L95 HydrophobicContact CD1-CD2 3.41Å; L77-L95 VanDerWaalsContact CD1-CD2 3.41Å; V83-L95 HydrophobicContact CG1-CD1 4.03Å; F91-L95 WeakPolarHBondContact O-CB 3.09Å; F91-L95 VanDerWaalsContact O-CG 3.27Å; F91-L95 WeakPolarHBondContact O-CG 3.02Å; F91-L95 PolarHBondContact O-N 3.37Å; R93-L95 VanDerWaalsContact C-N 3.35Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-I98 PolarHBondContact O-N 2.94Å; L95-Y99 HydrophobicContact CD2-CD2 4.33Å; L95-Y99 HydrophobicContact CD2-CE2 4.07Å; L95-Y99 WeakPolarHBondContact O-CB 3.38Å; L95-Y99 WeakPolarHBondContact O-CD2 3.31Å; L95-Y99 PolarHBondContact O-N 3.35Å |
| 96 | M | 98 | Very high | 98.1 | Very high | 22 Ų | 22 | 26 Ų | 26 | 11% | 0.108 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -32.7 | 173.7 | -76.8 | 171.5 | 66.1 | 0 | 0 | 112.9 | I11 Y92 R93 E94 Y99 P100 V104 V187 | I11-M96 HydrophobicContact CD1-CG 4.03Å; Y92-M96 HydrophobicContact CD2-SD 4.11Å; Y92-M96 WeakPolarHBondContact O-CB 3.47Å; Y92-M96 WeakPolarHBondContact O-CG 3.49Å; Y92-M96 PolarHBondContact O-N 2.92Å; R93-M96 WeakPolarHBondContact O-CB 3.21Å; R93-M96 PolarHBondContact O-N 3Å; R93-M96 VanDerWaalsContact O-N 3.14Å; E94-M96 VanDerWaalsContact C-N 3.31Å; E94-M96 PolarHBondContact O-N 3.28Å; M96-Y99 CarbonylContact O-C 3.31Å; M96-P100 WeakPolarHBondContact O-CA 3.2Å; M96-V104 HydrophobicContact CG-CG2 3.83Å; M96-V104 HydrophobicContact SD-CG2 3.8Å; M96-V187 HydrophobicContact CE-CB 4.47Å; M96-V187 HydrophobicContact CE-CG1 4.05Å; M96-V187 HydrophobicContact CE-CG2 4.36Å; M96-V187 HydrophobicContact SD-CG1 4.27Å; M96-V187 HydrophobicContact SD-CG2 3.81Å |
| 97 | S | 97.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 26 Ų | 26 | 52% | 0.524 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -68.7 | -43.1 | 174.1 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | R93 E94 L95 | R93-S97 PolarHBondContact O-N 2.97Å; R93-S97 PolarHBondContact O-OG 2.57Å; E94-S97 WeakPolarHBondContact O-CB 3.41Å; E94-S97 PolarHBondContact O-N 3.13Å; E94-S97 VanDerWaalsContact O-N 3.09Å; L95-S97 VanDerWaalsContact C-N 3.32Å |
| 98 | I | 97.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 27 Ų | 27 | 21% | 0.205 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.7 | -41 | 178.8 | -59.4 | 159.6 | 0 | 0 | 0 | 110.9 | H70 L73 E94 L95 P100 | H70-I98 HydrophobicContact CB-CD1 3.98Å; H70-I98 HydrophobicContact CB-CG1 3.98Å; L73-I98 HydrophobicContact CB-CD1 3.87Å; L73-I98 HydrophobicContact CD1-CD1 3.83Å; E94-I98 WeakPolarHBondContact O-CD1 3.35Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.46Å; E94-I98 PolarHBondContact O-N 2.89Å; L95-I98 PolarHBondContact O-N 2.94Å; I98-P100 VanDerWaalsContact C-CD 3.47Å; I98-P100 WeakPolarHBondContact O-CD 3.48Å |
| 99 | Y | 97.2 | Very high | 98 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | trans | -118.7 | 75 | -176.1 | -52.5 | -76.7 | 0 | 0 | 0 | 110.6 | S7 L8 L95 M96 N101 A102 R191 | S7-Y99 WeakPolarHBondContact OG-CD1 3.45Å; L8-Y99 HydrophobicContact CB-CD1 4.05Å; L8-Y99 HydrophobicContact CB-CD2 3.98Å; L8-Y99 HydrophobicContact CB-CE1 4.24Å; L8-Y99 HydrophobicContact CB-CE2 4.2Å; L8-Y99 HydrophobicContact CB-CG 3.9Å; L8-Y99 HydrophobicContact CD1-CD2 3.83Å; L8-Y99 HydrophobicContact CD1-CE2 3.57Å; L8-Y99 HydrophobicContact CG-CD2 4.29Å; L8-Y99 HydrophobicContact CG-CE1 4.46Å; L8-Y99 HydrophobicContact CG-CE2 4.05Å; L95-Y99 HydrophobicContact CD2-CD2 4.33Å; L95-Y99 HydrophobicContact CD2-CE2 4.07Å; L95-Y99 WeakPolarHBondContact O-CB 3.38Å; L95-Y99 WeakPolarHBondContact O-CD2 3.31Å; L95-Y99 PolarHBondContact O-N 3.35Å; M96-Y99 CarbonylContact O-C 3.31Å; Y99-N101 PolarHBondContact O-N 2.9Å; Y99-N101 VanDerWaalsContact O-N 3.1Å; Y99-A102 WeakPolarHBondContact O-CB 3.37Å; Y99-A102 PolarHBondContact O-N 3.36Å; Y99-R191 PolarHBondContact O-NH2 2.75Å | ||
| 100 | P | 96.7 | Very high | 97.9 | Very high | 78 Ų | 78 | 34.4 Ų | 34.4 | 51% | 0.506 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.6 | -172.7 | 24.7 | -35.3 | 0 | 0 | 0 | 114.2 | M96 I98 R191 | M96-P100 WeakPolarHBondContact O-CA 3.2Å; I98-P100 VanDerWaalsContact C-CD 3.47Å; I98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-R191 PolarHBondContact O-NH1 3.44Å; P100-R191 PolarHBondContact O-NH2 2.91Å |
| 101 | N | 96.1 | Very high | 97.9 | Very high | 157 Ų | 157 | 37.4 Ų | 37.4 | 84% | 0.84 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.5 | 178.2 | -62.8 | -38.4 | 0 | 0 | 0 | 113.5 | Y99 | Y99-N101 PolarHBondContact O-N 2.9Å; Y99-N101 VanDerWaalsContact O-N 3.1Å |
| 102 | A | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | trans | -67.8 | 139 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L9 I11 Y99 R191 | L9-A102 CarbonylContact O-C 3.51Å; L9-A102 WeakPolarHBondContact O-CA 3.43Å; I11-A102 HydrophobicContact CD1-CB 3.71Å; I11-A102 HydrophobicContact CG1-CB 3.95Å; Y99-A102 WeakPolarHBondContact O-CB 3.37Å; Y99-A102 PolarHBondContact O-N 3.36Å; A102-R191 PolarHBondContact O-NE 2.98Å; A102-R191 VanDerWaalsContact O-NE 3.14Å; A102-R191 PolarHBondContact O-NH2 3.14Å | ||
| 103 | K | 98.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 27% | 0.265 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 147.1 | 170.6 | -72.6 | 178.7 | 179.9 | 173 | 0 | 109.5 | L9 V10 I11 F207 L208 | L9-K103 PolarHBondContact O-N 3.49Å; V10-K103 CarbonylContact C-O 3.55Å; V10-K103 WeakPolarHBondContact CA-O 3.17Å; I11-K103 PolarHBondContact N-O 2.83Å; K103-F207 HydrophobicContact CB-CE1 3.64Å; K103-F207 HydrophobicContact CB-CZ 3.78Å; K103-F207 HydrophobicContact CD-CD1 4.29Å; K103-F207 HydrophobicContact CD-CE1 3.93Å; K103-F207 HydrophobicContact CD-CE2 4.49Å; K103-F207 HydrophobicContact CD-CZ 4.03Å; K103-F207 WeakPolarHBondContact CE-O 3.22Å; K103-F207 HydrophobicContact CG-CE1 4.16Å; K103-F207 HydrophobicContact CG-CZ 4.02Å; K103-F207 PolarHBondContact NZ-O 3.1Å; K103-L208 HydrophobicContact CB-CD2 4.33Å; K103-L208 HydrophobicContact CD-CD2 3.86Å; K103-L208 PolarHBondContact NZ-O 3.49Å |
| 104 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.2 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | I11 A13 M96 V187 R191 L192 L193 | I11-V104 HydrophobicContact CB-CG2 4.42Å; I11-V104 CarbonylContact O-C 3.55Å; I11-V104 VanDerWaalsContact O-CA 3.27Å; I11-V104 WeakPolarHBondContact O-CA 3.29Å; A13-V104 HydrophobicContact CB-CG1 3.87Å; M96-V104 HydrophobicContact CG-CG2 3.83Å; M96-V104 HydrophobicContact SD-CG2 3.8Å; V104-V187 HydrophobicContact CB-CG1 3.83Å; V104-V187 HydrophobicContact CB-CG2 4.47Å; V104-V187 HydrophobicContact CG1-CG1 4.35Å; V104-V187 HydrophobicContact CG1-CG2 4.12Å; V104-V187 HydrophobicContact CG2-CG1 3.8Å; V104-V187 HydrophobicContact CG2-CG2 4.45Å; V104-R191 PolarHBondContact N-O 2.95Å; V104-L192 HydrophobicContact CB-CD1 4.32Å; V104-L192 HydrophobicContact CG1-CD1 4.15Å; V104-L192 WeakPolarHBondContact O-CA 3.31Å; V104-L193 PolarHBondContact O-N 3.32Å |
| 105 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.8 | 176.3 | -56.4 | 179.8 | 0 | 0 | 0 | 108.4 | V10 I11 G12 A13 L23 T107 L193 H195 L204 F207 L208 | V10-I105 HydrophobicContact CG1-CD1 3.6Å; V10-I105 HydrophobicContact CG1-CG1 3.93Å; I11-I105 PolarHBondContact O-N 3.36Å; G12-I105 CarbonylContact C-O 3.56Å; G12-I105 WeakPolarHBondContact CA-O 3.29Å; A13-I105 PolarHBondContact N-O 3.14Å; L23-I105 HydrophobicContact CD1-CD1 4.07Å; L23-I105 HydrophobicContact CD1-CG2 4.39Å; L23-I105 HydrophobicContact CD2-CB 4.03Å; L23-I105 HydrophobicContact CD2-CD1 4.45Å; L23-I105 HydrophobicContact CD2-CG2 3.68Å; I105-T107 HydrophobicContact CG2-CG2 4.47Å; I105-L193 WeakPolarHBondContact CA-O 3.38Å; I105-L193 HydrophobicContact CG1-CB 4.36Å; I105-L193 HydrophobicContact CG2-CD2 4.38Å; I105-H195 HydrophobicContact CG2-CB 3.71Å; I105-L204 HydrophobicContact CD1-CD1 3.42Å; I105-L204 VanDerWaalsContact CD1-CD1 3.42Å; I105-F207 HydrophobicContact CG1-CD1 4.35Å; I105-F207 HydrophobicContact CG1-CE1 3.96Å; I105-L208 HydrophobicContact CD1-CD2 4.41Å |
| 106 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 104.2 | 173.9 | 178 | 63.4 | 0 | 0 | 0 | 108.7 | A13 V108 Y179 N180 V183 Q184 L192 L193 H195 | A13-L106 HydrophobicContact CB-CD1 4.38Å; A13-L106 VanDerWaalsContact O-CD1 3.31Å; A13-L106 WeakPolarHBondContact O-CD1 3.27Å; L106-V108 HydrophobicContact CD2-CG1 4.1Å; L106-V108 HydrophobicContact CG-CG1 3.82Å; L106-Y179 HydrophobicContact CD1-CE1 4.41Å; L106-N180 HydrophobicContact CD2-CB 4.42Å; L106-V183 HydrophobicContact CB-CG1 4.23Å; L106-V183 HydrophobicContact CD1-CB 4.28Å; L106-V183 HydrophobicContact CD1-CG1 4.1Å; L106-V183 HydrophobicContact CD1-CG2 4.37Å; L106-V183 HydrophobicContact CD2-CB 4.05Å; L106-V183 HydrophobicContact CD2-CG1 3.97Å; L106-V183 HydrophobicContact CG-CG1 4.31Å; L106-Q184 HydrophobicContact CD2-CG 3.85Å; L106-L192 HydrophobicContact CB-CD1 4.11Å; L106-L193 PolarHBondContact N-O 3.14Å; L106-H195 PolarHBondContact O-N 2.93Å |
| 107 | T | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.6 | 173.4 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | G14 T18 T20 L23 I105 H195 | G14-T107 WeakPolarHBondContact CA-OG1 3.27Å; T18-T107 VanDerWaalsContact CB-O 3.26Å; T18-T107 WeakPolarHBondContact CB-O 3.41Å; T18-T107 WeakPolarHBondContact O-CB 3.33Å; T18-T107 PolarHBondContact OG1-O 3.45Å; T18-T107 PolarHBondContact OG1-OG1 2.97Å; T20-T107 WeakPolarHBondContact CG2-OG1 3.46Å; L23-T107 HydrophobicContact CB-CG2 4.19Å; L23-T107 HydrophobicContact CD2-CG2 3.69Å; I105-T107 HydrophobicContact CG2-CG2 4.47Å; T107-H195 CarbonylContact C-O 3.52Å; T107-H195 VanDerWaalsContact CA-O 3.23Å; T107-H195 WeakPolarHBondContact CA-O 3.41Å; T107-H195 HydrophobicContact CG2-CB 4.34Å |
| 108 | V | 98.2 | Very high | 97.3 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 13% | 0.127 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 155.2 | -175.8 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | L106 I194 H195 K196 L197 | L106-V108 HydrophobicContact CD2-CG1 4.1Å; L106-V108 HydrophobicContact CG-CG1 3.82Å; V108-I194 HydrophobicContact CG1-CG2 4.13Å; V108-I194 HydrophobicContact CG2-CG2 3.57Å; V108-H195 PolarHBondContact N-O 2.98Å; V108-K196 HydrophobicContact CG2-CB 4.5Å; V108-K196 HydrophobicContact CG2-CG 3.91Å; V108-L197 PolarHBondContact O-N 2.94Å |
| 109 | R | 96.3 | Very high | 97.2 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | trans | -150.1 | 171.5 | 172 | 69.3 | -176 | -66.1 | 158.9 | 11.1 | 109.9 | R17 K111 S113 W114 Y176 | R17-R109 WeakPolarHBondContact O-CD 3.43Å; R17-R109 PolarHBondContact O-NH1 3.14Å; R109-K111 PolarHBondContact O-N 3.03Å; R109-S113 PolarHBondContact NH2-OG 2.97Å; R109-W114 HydrophobicContact CG-CB 3.68Å; R109-W114 HydrophobicContact CG-CG 4.45Å; R109-Y176 PolarHBondContact N-OH 2.94Å; R109-Y176 PolarHBondContact O-OH 3.1Å; R109-Y176 VanDerWaalsContact O-OH 3.08Å | ||
| 110 | D | 97 | Very high | 96.9 | Very high | 95 Ų | 95 | 40.4 Ų | 40.4 | 51% | 0.508 | 21% | 0.213 | S | C | . | . | trans | -53.9 | 134.3 | 171.4 | 169.3 | 68.9 | 0 | 0 | 0 | 111.4 | N112 S113 W114 | D110-N112 PolarHBondContact O-N 3.38Å; D110-N112 WeakPolarHBondContact OD2-CB 3.37Å; D110-N112 PolarHBondContact OD2-N 3.3Å; D110-N112 VanDerWaalsContact OD2-N 3.09Å; D110-S113 CarbonylContact O-C 3.59Å; D110-S113 WeakPolarHBondContact O-CB 3.47Å; D110-S113 PolarHBondContact O-N 3.07Å; D110-S113 WeakPolarHBondContact OD2-CB 3.31Å; D110-S113 PolarHBondContact OD2-N 3.24Å; D110-W114 WeakPolarHBondContact O-CB 3.42Å; D110-W114 PolarHBondContact O-N 3.45Å | ||
| 111 | K | 97.3 | Very high | 96.6 | Very high | 63 Ų | 63 | 37 Ų | 37 | 27% | 0.274 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -36.3 | -172.4 | 70.6 | -176.7 | -173.9 | -179.9 | 0 | 113.6 | R109 W114 L115 L173 Y176 E177 | R109-K111 PolarHBondContact O-N 3.03Å; K111-W114 WeakPolarHBondContact O-CB 3.44Å; K111-W114 PolarHBondContact O-N 3.28Å; K111-L115 WeakPolarHBondContact O-CB 3.14Å; K111-L115 PolarHBondContact O-N 3.45Å; K111-L173 HydrophobicContact CB-CD2 3.81Å; K111-L173 HydrophobicContact CD-CD2 4.25Å; K111-L173 HydrophobicContact CG-CD2 3.87Å; K111-L173 VanDerWaalsContact O-CD2 3.29Å; K111-L173 WeakPolarHBondContact O-CD2 3.36Å; K111-Y176 HydrophobicContact CB-CD1 3.8Å; K111-Y176 HydrophobicContact CB-CE1 3.94Å; K111-E177 VanDerWaalsContact CD-CD 3.42Å; K111-E177 HydrophobicContact CD-CG 3.96Å; K111-E177 WeakPolarHBondContact CD-OE1 3.1Å; K111-E177 WeakPolarHBondContact CE-OE1 3.42Å; K111-E177 IonicContact NZ-OE1 2.84Å; K111-E177 PolarHBondContact NZ-OE1 3Å; K111-E177 IonicContact NZ-OE2 2.65Å; K111-E177 PolarHBondContact NZ-OE2 2.67Å |
| 112 | N | 97.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 31.3 Ų | 31.3 | 50% | 0.497 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.8 | -40 | 179.2 | -62.7 | -59 | 0 | 0 | 0 | 110.3 | D110 W114 L115 S116 | D110-N112 PolarHBondContact O-N 3.38Å; D110-N112 WeakPolarHBondContact OD2-CB 3.37Å; D110-N112 PolarHBondContact OD2-N 3.3Å; D110-N112 VanDerWaalsContact OD2-N 3.09Å; N112-W114 VanDerWaalsContact C-N 3.32Å; N112-L115 PolarHBondContact O-N 3.48Å; N112-S116 WeakPolarHBondContact O-CB 3.19Å; N112-S116 PolarHBondContact O-N 3.27Å |
| 113 | S | 96.4 | Very high | 96 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61 | -41 | 170.9 | -167.3 | 0 | 0 | 0 | 0 | 111.8 | R109 D110 S117 | R109-S113 PolarHBondContact NH2-OG 2.97Å; D110-S113 CarbonylContact O-C 3.59Å; D110-S113 WeakPolarHBondContact O-CB 3.47Å; D110-S113 PolarHBondContact O-N 3.07Å; D110-S113 WeakPolarHBondContact OD2-CB 3.31Å; D110-S113 PolarHBondContact OD2-N 3.24Å; S113-S117 PolarHBondContact O-N 3.26Å |
| 114 | W | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -53.1 | 174.3 | 175 | 77.6 | 0 | 0 | 0 | 111.6 | P16 R109 D110 K111 N112 S116 S117 V118 L172 Y176 | P16-W114 PolarHBondContact O-NE1 2.76Å; R109-W114 HydrophobicContact CG-CB 3.68Å; R109-W114 HydrophobicContact CG-CG 4.45Å; D110-W114 WeakPolarHBondContact O-CB 3.42Å; D110-W114 PolarHBondContact O-N 3.45Å; K111-W114 WeakPolarHBondContact O-CB 3.44Å; K111-W114 PolarHBondContact O-N 3.28Å; N112-W114 VanDerWaalsContact C-N 3.32Å; W114-S116 VanDerWaalsContact C-N 3.31Å; W114-S116 PolarHBondContact O-N 2.95Å; W114-S117 CarbonylContact O-C 3.58Å; W114-S117 WeakPolarHBondContact O-CA 3.46Å; W114-S117 PolarHBondContact O-N 3.06Å; W114-V118 HydrophobicContact CH2-CG1 4.32Å; W114-V118 HydrophobicContact CZ2-CB 4.48Å; W114-V118 HydrophobicContact CZ2-CG1 4.33Å; W114-V118 HydrophobicContact CZ2-CG2 4.45Å; W114-V118 HydrophobicContact CZ3-CG1 4.46Å; W114-V118 PolarHBondContact O-N 2.89Å; W114-L172 HydrophobicContact CZ3-CB 4.42Å; W114-Y176 HydrophobicContact CB-CE1 4.48Å; W114-Y176 HydrophobicContact CB-CE2 4.35Å; W114-Y176 AromaticContact CD1-CE2 3.72Å; W114-Y176 HydrophobicContact CD2-CD1 4.46Å; W114-Y176 AromaticContact CD2-CD2 3.41Å; W114-Y176 HydrophobicContact CD2-CD2 3.41Å; W114-Y176 VanDerWaalsContact CD2-CD2 3.41Å; W114-Y176 AromaticContact CD2-CE2 3.72Å; W114-Y176 HydrophobicContact CD2-CE2 3.72Å; W114-Y176 AromaticContact CD2-CG 3.84Å; W114-Y176 HydrophobicContact CD2-CG 3.84Å; W114-Y176 AromaticContact CE2-CD2 3.44Å; W114-Y176 VanDerWaalsContact CE2-CD2 3.44Å; W114-Y176 AromaticContact CE2-CE2 3.82Å; W114-Y176 HydrophobicContact CE3-CD1 4.24Å; W114-Y176 AromaticContact CE3-CD2 3.71Å; W114-Y176 HydrophobicContact CE3-CD2 3.71Å; W114-Y176 HydrophobicContact CE3-CE2 4.38Å; W114-Y176 AromaticContact CE3-CG 3.65Å; W114-Y176 HydrophobicContact CE3-CG 3.65Å; W114-Y176 AromaticContact CG-CD2 3.9Å; W114-Y176 HydrophobicContact CG-CD2 3.9Å; W114-Y176 AromaticContact CG-CE2 3.67Å; W114-Y176 HydrophobicContact CG-CE2 3.67Å; W114-Y176 HydrophobicContact CG-CG 4.46Å; W114-Y176 HydrophobicContact CH2-CD2 4.05Å; W114-Y176 HydrophobicContact CH2-CG 4.27Å; W114-Y176 AromaticContact CZ2-CD2 3.77Å; W114-Y176 HydrophobicContact CZ2-CD2 3.77Å; W114-Y176 HydrophobicContact CZ2-CG 4.44Å; W114-Y176 HydrophobicContact CZ3-CD2 4.03Å; W114-Y176 AromaticContact CZ3-CG 3.89Å; W114-Y176 HydrophobicContact CZ3-CG 3.89Å; W114-Y176 AromaticContact NE1-CD2 3.9Å; W114-Y176 AromaticContact NE1-CE2 3.79Å |
| 115 | L | 97.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -49.3 | 178.3 | 178 | 69.4 | 0 | 0 | 0 | 110.4 | K111 N112 S117 V118 R119 D169 L172 L173 | K111-L115 WeakPolarHBondContact O-CB 3.14Å; K111-L115 PolarHBondContact O-N 3.45Å; N112-L115 PolarHBondContact O-N 3.48Å; L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3.42Å; L115-V118 HydrophobicContact CD1-CG1 4.44Å; L115-V118 WeakPolarHBondContact O-CG1 3.43Å; L115-V118 PolarHBondContact O-N 3.35Å; L115-R119 HydrophobicContact CD1-CG 4.22Å; L115-R119 HydrophobicContact CG-CG 4.41Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 VanDerWaalsContact O-CG 3.27Å; L115-R119 WeakPolarHBondContact O-CG 3.45Å; L115-R119 PolarHBondContact O-N 3.28Å; L115-D169 HydrophobicContact CD1-CB 4.41Å; L115-D169 HydrophobicContact CD2-CB 3.75Å; L115-L172 HydrophobicContact CD1-CB 4.17Å; L115-L172 HydrophobicContact CD1-CD1 4.13Å; L115-L173 HydrophobicContact CB-CD2 3.84Å; L115-L173 HydrophobicContact CB-CG 4.41Å; L115-L173 HydrophobicContact CD2-CD1 3.89Å; L115-L173 HydrophobicContact CD2-CD2 4.19Å; L115-L173 HydrophobicContact CD2-CG 3.96Å |
| 116 | S | 95.8 | Very high | 95 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.5 | -41.1 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | N112 W114 H120 R224 | N112-S116 WeakPolarHBondContact O-CB 3.19Å; N112-S116 PolarHBondContact O-N 3.27Å; W114-S116 VanDerWaalsContact C-N 3.31Å; W114-S116 PolarHBondContact O-N 2.95Å; S116-H120 PolarHBondContact O-ND1 3.23Å; S116-R224 PolarHBondContact O-NH2 3.11Å; S116-R224 PolarHBondContact OG-NH1 2.71Å; S116-R224 PolarHBondContact OG-NH2 3.44Å |
| 117 | S | 95.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 178 | -169.7 | 0 | 0 | 0 | 0 | 113.3 | R17 S113 W114 L115 H120 S121 | R17-S117 PolarHBondContact NE-OG 2.96Å; R17-S117 PolarHBondContact NH2-OG 2.69Å; S113-S117 PolarHBondContact O-N 3.26Å; W114-S117 CarbonylContact O-C 3.58Å; W114-S117 WeakPolarHBondContact O-CA 3.46Å; W114-S117 PolarHBondContact O-N 3.06Å; L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3.42Å; S117-H120 PolarHBondContact O-N 2.72Å; S117-S121 PolarHBondContact O-OG 2.84Å |
| 118 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.5 | -36 | -177.2 | 82.1 | 0 | 0 | 0 | 0 | 111.2 | R17 W114 L115 H120 S121 V122 L123 | R17-V118 HydrophobicContact CG-CB 4.26Å; R17-V118 HydrophobicContact CG-CG2 4.24Å; W114-V118 HydrophobicContact CH2-CG1 4.32Å; W114-V118 HydrophobicContact CZ2-CB 4.48Å; W114-V118 HydrophobicContact CZ2-CG1 4.33Å; W114-V118 HydrophobicContact CZ2-CG2 4.45Å; W114-V118 HydrophobicContact CZ3-CG1 4.46Å; W114-V118 PolarHBondContact O-N 2.89Å; L115-V118 HydrophobicContact CD1-CG1 4.44Å; L115-V118 WeakPolarHBondContact O-CG1 3.43Å; L115-V118 PolarHBondContact O-N 3.35Å; V118-H120 VanDerWaalsContact C-N 3.3Å; V118-H120 PolarHBondContact O-N 2.94Å; V118-S121 PolarHBondContact O-N 3.36Å; V118-S121 PolarHBondContact O-OG 3.2Å; V118-V122 HydrophobicContact CG2-CB 4.07Å; V118-V122 PolarHBondContact O-N 3.29Å; V118-L123 HydrophobicContact CG2-CB 4.07Å; V118-L123 HydrophobicContact CG2-CD1 3.89Å; V118-L123 HydrophobicContact CG2-CG 3.93Å; V118-L123 PolarHBondContact O-N 2.68Å |
| 119 | R | 94.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 173.2 | -69.9 | -55 | -172.2 | -164 | 0.5 | 114 | L115 S121 L123 P124 I166 D167 D169 L172 | L115-R119 HydrophobicContact CD1-CG 4.22Å; L115-R119 HydrophobicContact CG-CG 4.41Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 VanDerWaalsContact O-CG 3.27Å; L115-R119 WeakPolarHBondContact O-CG 3.45Å; L115-R119 PolarHBondContact O-N 3.28Å; R119-S121 VanDerWaalsContact C-N 3.34Å; R119-L123 WeakPolarHBondContact CD-O 3.2Å; R119-L123 PolarHBondContact NH1-O 2.84Å; R119-P124 WeakPolarHBondContact O-CA 3.37Å; R119-P124 WeakPolarHBondContact O-CB 3.3Å; R119-I166 PolarHBondContact NH1-O 3.46Å; R119-I166 PolarHBondContact NH2-O 2.82Å; R119-D167 PolarHBondContact NH2-O 2.87Å; R119-D169 IonicContact CZ-OD1 3.52Å; R119-D169 IonicContact NE-OD1 2.53Å; R119-D169 PolarHBondContact NE-OD1 3.17Å; R119-D169 IonicContact NH2-OD1 3.99Å; R119-D169 PolarHBondContact NH2-OD1 2.83Å; R119-L172 VanDerWaalsContact CZ-CD1 3.46Å; R119-L172 VanDerWaalsContact NH2-CD1 3.29Å |
| 120 | H | 90.7 | Very high | 93.2 | Very high | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 19.3 | 179.8 | -65.8 | 86.9 | 0 | 0 | 0 | 113.1 | S116 S117 V118 Y130 R224 | S116-H120 PolarHBondContact O-ND1 3.23Å; S117-H120 PolarHBondContact O-N 2.72Å; V118-H120 VanDerWaalsContact C-N 3.3Å; V118-H120 PolarHBondContact O-N 2.94Å; H120-Y130 PolarHBondContact O-OH 3.01Å; H120-R224 HydrophobicContact CB-CG 4.35Å |
| 121 | S | 90.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.9 | -73.4 | -177.9 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | R17 S117 V118 R119 L134 | R17-S121 WeakPolarHBondContact CD-OG 3.43Å; R17-S121 WeakPolarHBondContact CG-OG 3.4Å; R17-S121 PolarHBondContact NE-OG 3.17Å; S117-S121 PolarHBondContact O-OG 2.84Å; V118-S121 PolarHBondContact O-N 3.36Å; V118-S121 PolarHBondContact O-OG 3.2Å; R119-S121 VanDerWaalsContact C-N 3.34Å; S121-L134 WeakPolarHBondContact O-CD2 3.27Å |
| 122 | V | 89.5 | Confident | 92.2 | Very high | 37 Ų | 37 | 45 Ų | 45 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -41.2 | -167.7 | -175.8 | 0 | 0 | 0 | 0 | 112 | P16 R17 V118 P124 I151 | P16-V122 HydrophobicContact CB-CG2 4.2Å; R17-V122 HydrophobicContact CG-CG2 4.16Å; V118-V122 HydrophobicContact CG2-CB 4.07Å; V118-V122 PolarHBondContact O-N 3.29Å; V122-P124 VanDerWaalsContact C-CD 3.41Å; V122-P124 WeakPolarHBondContact O-CD 3.46Å; V122-I151 HydrophobicContact CG1-CG2 4.19Å |
| 123 | L | 92.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | trans | -125.9 | 60.1 | -173.9 | -57.8 | 175.1 | 0 | 0 | 0 | 111.3 | V118 R119 M152 L155 | V118-L123 HydrophobicContact CG2-CB 4.07Å; V118-L123 HydrophobicContact CG2-CD1 3.89Å; V118-L123 HydrophobicContact CG2-CG 3.93Å; V118-L123 PolarHBondContact O-N 2.68Å; R119-L123 WeakPolarHBondContact CD-O 3.2Å; R119-L123 PolarHBondContact NH1-O 2.84Å; L123-M152 HydrophobicContact CD2-SD 4.24Å; L123-L155 HydrophobicContact CD1-CD1 3.66Å; L123-L155 HydrophobicContact CD2-CD1 3.76Å; L123-L155 HydrophobicContact CG-CD1 4.2Å | ||
| 124 | P | 92.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.071 | 23% | 0.234 | C | C | . | . | trans | -56.5 | 151.4 | 169.3 | 28.4 | -34.3 | 0 | 0 | 0 | 110.5 | R119 V122 D128 Y130 L134 | R119-P124 WeakPolarHBondContact O-CA 3.37Å; R119-P124 WeakPolarHBondContact O-CB 3.3Å; V122-P124 VanDerWaalsContact C-CD 3.41Å; V122-P124 WeakPolarHBondContact O-CD 3.46Å; P124-D128 HydrophobicContact CB-CB 4.46Å; P124-Y130 HydrophobicContact CB-CD1 3.85Å; P124-Y130 HydrophobicContact CG-CD1 4.02Å; P124-L134 HydrophobicContact CG-CD2 3.98Å | ||
| 125 | K | 93.4 | Very high | 90.6 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 27% | 0.27 | 25% | 0.251 | S | S | . | . | trans | -62.6 | 147.4 | 171.2 | -72 | -174.2 | 177.9 | 171.2 | 0 | 109.8 | N127 D128 D167 D169 | K125-N127 WeakPolarHBondContact CB-OD1 3.35Å; K125-N127 PolarHBondContact O-N 3.26Å; K125-N127 VanDerWaalsContact O-N 3.11Å; K125-D128 HydrophobicContact CB-CB 4.36Å; K125-D128 VanDerWaalsContact O-CB 3.3Å; K125-D128 WeakPolarHBondContact O-CB 3.37Å; K125-D128 PolarHBondContact O-N 3.48Å; K125-D167 WeakPolarHBondContact CA-OD1 3.43Å; K125-D167 WeakPolarHBondContact CB-OD1 3.19Å; K125-D167 WeakPolarHBondContact CE-O 3.18Å; K125-D169 WeakPolarHBondContact CE-OD1 3.42Å; K125-D169 VanDerWaalsContact CE-OD2 3.31Å; K125-D169 WeakPolarHBondContact CE-OD2 3.27Å; K125-D169 IonicContact NZ-OD1 2.71Å; K125-D169 IonicContact NZ-OD2 3.37Å; K125-D169 PolarHBondContact NZ-OD2 3.25Å | ||
| 126 | S | 89.8 | Confident | 90 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.4 | -177.9 | -49.1 | 0 | 0 | 0 | 0 | 112.6 | D167 | S126-D167 VanDerWaalsContact CB-OD2 3.24Å; S126-D167 WeakPolarHBondContact CB-OD2 3.45Å; S126-D167 PolarHBondContact N-OD1 3.02Å; S126-D167 PolarHBondContact OG-OD1 3.22Å; S126-D167 PolarHBondContact OG-OD2 3.38Å |
| 127 | N | 90 | Very high | 89.6 | Confident | 143 Ų | 143 | 50.5 Ų | 50.5 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0 | 177.5 | 67.7 | -2.7 | 0 | 0 | 0 | 114.3 | K125 | K125-N127 WeakPolarHBondContact CB-OD1 3.35Å; K125-N127 PolarHBondContact O-N 3.26Å; K125-N127 VanDerWaalsContact O-N 3.11Å |
| 128 | D | 90 | Very high | 89.2 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -82.7 | 134.4 | -179.5 | -162.3 | -53.5 | 0 | 0 | 0 | 111.4 | P124 K125 Y130 S131 | P124-D128 HydrophobicContact CB-CB 4.46Å; K125-D128 HydrophobicContact CB-CB 4.36Å; K125-D128 VanDerWaalsContact O-CB 3.3Å; K125-D128 WeakPolarHBondContact O-CB 3.37Å; K125-D128 PolarHBondContact O-N 3.48Å; D128-Y130 PolarHBondContact O-N 3.06Å; D128-Y130 VanDerWaalsContact O-N 3.09Å; D128-Y130 VanDerWaalsContact OD1-CB 3.28Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.35Å; D128-Y130 PolarHBondContact OD1-N 3.46Å; D128-S131 VanDerWaalsContact O-CB 3.31Å; D128-S131 WeakPolarHBondContact O-CB 3.44Å; D128-S131 PolarHBondContact O-N 2.78Å |
| 129 | S | 87.4 | Confident | 88.8 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -52.6 | -28.6 | 172.2 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | S131 Q132 R133 | S129-S131 VanDerWaalsContact C-N 3.29Å; S129-S131 PolarHBondContact O-N 3.36Å; S129-Q132 PolarHBondContact O-N 3.08Å; S129-R133 PolarHBondContact O-N 3.27Å; S129-R133 PolarHBondContact OG-NH2 3.26Å |
| 130 | Y | 87 | Confident | 88.3 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 177.1 | -171.4 | -87.6 | 0 | 0 | 0 | 111.8 | H120 P124 D128 Q132 R133 L134 I227 M231 | H120-Y130 PolarHBondContact O-OH 3.01Å; P124-Y130 HydrophobicContact CB-CD1 3.85Å; P124-Y130 HydrophobicContact CG-CD1 4.02Å; D128-Y130 PolarHBondContact O-N 3.06Å; D128-Y130 VanDerWaalsContact O-N 3.09Å; D128-Y130 VanDerWaalsContact OD1-CB 3.28Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.35Å; D128-Y130 PolarHBondContact OD1-N 3.46Å; Y130-Q132 VanDerWaalsContact C-N 3.28Å; Y130-Q132 PolarHBondContact O-N 3.23Å; Y130-R133 PolarHBondContact O-N 2.83Å; Y130-R133 VanDerWaalsContact O-N 3.14Å; Y130-L134 HydrophobicContact CD1-CB 4.48Å; Y130-L134 HydrophobicContact CE1-CB 4.28Å; Y130-L134 WeakPolarHBondContact O-CB 3.49Å; Y130-L134 PolarHBondContact O-N 2.65Å; Y130-I227 WeakPolarHBondContact OH-CG2 3.37Å; Y130-M231 WeakPolarHBondContact OH-CG 3.35Å |
| 131 | S | 87.5 | Confident | 88.1 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -44 | 174.8 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | D128 S129 R133 L134 D135 | D128-S131 VanDerWaalsContact O-CB 3.31Å; D128-S131 WeakPolarHBondContact O-CB 3.44Å; D128-S131 PolarHBondContact O-N 2.78Å; S129-S131 VanDerWaalsContact C-N 3.29Å; S129-S131 PolarHBondContact O-N 3.36Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.41Å; S131-L134 WeakPolarHBondContact O-CB 3.19Å; S131-L134 PolarHBondContact O-N 2.74Å; S131-D135 VanDerWaalsContact O-CG 3.25Å; S131-D135 PolarHBondContact O-N 3.4Å |
| 132 | Q | 85.9 | Confident | 87.8 | Confident | 133 Ų | 133 | 59 Ų | 59 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.5 | -35.8 | 178.2 | -60.8 | 177.1 | 13.6 | 0 | 0 | 112.8 | S129 Y130 K136 | S129-Q132 PolarHBondContact O-N 3.08Å; Y130-Q132 VanDerWaalsContact C-N 3.28Å; Y130-Q132 PolarHBondContact O-N 3.23Å; Q132-K136 WeakPolarHBondContact O-CG 3.39Å; Q132-K136 PolarHBondContact O-N 3.3Å; Q132-K136 VanDerWaalsContact O-N 3.14Å |
| 133 | R | 84.6 | Confident | 87.6 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.2 | -74.8 | -170.9 | -71.2 | -94.9 | -7.1 | 111 | S129 Y130 S131 D135 K136 A137 | S129-R133 PolarHBondContact O-N 3.27Å; S129-R133 PolarHBondContact OG-NH2 3.26Å; Y130-R133 PolarHBondContact O-N 2.83Å; Y130-R133 VanDerWaalsContact O-N 3.14Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.41Å; R133-D135 VanDerWaalsContact C-N 3.33Å; R133-D135 PolarHBondContact O-N 3Å; R133-K136 PolarHBondContact O-N 3.25Å; R133-A137 PolarHBondContact O-N 2.91Å |
| 134 | L | 86.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.6 | -177.7 | 62.3 | 0 | 0 | 0 | 111.5 | S121 P124 Y130 S131 A137 K138 M231 | S121-L134 WeakPolarHBondContact O-CD2 3.27Å; P124-L134 HydrophobicContact CG-CD2 3.98Å; Y130-L134 HydrophobicContact CD1-CB 4.48Å; Y130-L134 HydrophobicContact CE1-CB 4.28Å; Y130-L134 WeakPolarHBondContact O-CB 3.49Å; Y130-L134 PolarHBondContact O-N 2.65Å; S131-L134 WeakPolarHBondContact O-CB 3.19Å; S131-L134 PolarHBondContact O-N 2.74Å; L134-A137 PolarHBondContact O-N 3.16Å; L134-K138 VanDerWaalsContact CD2-NZ 3.32Å; L134-K138 HydrophobicContact CG-CD 4.32Å; L134-K138 WeakPolarHBondContact O-CG 3.47Å; L134-K138 PolarHBondContact O-N 3.09Å; L134-M231 HydrophobicContact CD1-CE 3.98Å; L134-M231 HydrophobicContact CD1-SD 3.79Å |
| 135 | D | 87.1 | Confident | 86.8 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.8 | -67.1 | -25.7 | 0 | 0 | 0 | 112 | S131 R133 A137 K138 Q139 | S131-D135 VanDerWaalsContact O-CG 3.25Å; S131-D135 PolarHBondContact O-N 3.4Å; R133-D135 VanDerWaalsContact C-N 3.33Å; R133-D135 PolarHBondContact O-N 3Å; D135-A137 VanDerWaalsContact C-N 3.32Å; D135-A137 PolarHBondContact O-N 3.42Å; D135-K138 PolarHBondContact O-N 3.44Å; D135-Q139 WeakPolarHBondContact O-CB 3.47Å; D135-Q139 PolarHBondContact O-N 3.34Å |
| 136 | K | 85.2 | Confident | 86.8 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 172.7 | -73.3 | -179.9 | -176.2 | -175.8 | 0 | 112 | Q132 R133 Q139 A140 | Q132-K136 WeakPolarHBondContact O-CG 3.39Å; Q132-K136 PolarHBondContact O-N 3.3Å; Q132-K136 VanDerWaalsContact O-N 3.14Å; R133-K136 PolarHBondContact O-N 3.25Å; K136-Q139 PolarHBondContact O-N 2.75Å; K136-A140 WeakPolarHBondContact O-CB 3.37Å; K136-A140 PolarHBondContact O-N 2.99Å |
| 137 | A | 85.9 | Confident | 87 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R133 L134 D135 Q139 A140 L141 M231 I234 | R133-A137 PolarHBondContact O-N 2.91Å; L134-A137 PolarHBondContact O-N 3.16Å; D135-A137 VanDerWaalsContact C-N 3.32Å; D135-A137 PolarHBondContact O-N 3.42Å; A137-Q139 VanDerWaalsContact C-N 3.31Å; A137-Q139 PolarHBondContact O-N 3.27Å; A137-A140 PolarHBondContact O-N 3.35Å; A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 WeakPolarHBondContact O-CG 3.35Å; A137-L141 PolarHBondContact O-N 3.18Å; A137-M231 HydrophobicContact CB-SD 3.55Å; A137-M231 VanDerWaalsContact CB-SD 3.55Å; A137-I234 HydrophobicContact CB-CB 4.16Å; A137-I234 HydrophobicContact CB-CG2 3.75Å |
| 138 | K | 87.7 | Confident | 87.2 | Confident | 24 Ų | 24 | 59 Ų | 59 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 175 | -71.1 | 165.7 | -175.5 | 162.8 | 0 | 112.3 | L134 D135 L141 H142 L143 I147 N148 | L134-K138 VanDerWaalsContact CD2-NZ 3.32Å; L134-K138 HydrophobicContact CG-CD 4.32Å; L134-K138 WeakPolarHBondContact O-CG 3.47Å; L134-K138 PolarHBondContact O-N 3.09Å; D135-K138 PolarHBondContact O-N 3.44Å; K138-L141 CarbonylContact O-C 3.51Å; K138-L141 PolarHBondContact O-N 3.18Å; K138-H142 PolarHBondContact O-N 3.24Å; K138-H142 VanDerWaalsContact O-N 3.14Å; K138-L143 HydrophobicContact CB-CB 4.47Å; K138-L143 HydrophobicContact CG-CD1 4.36Å; K138-L143 PolarHBondContact O-N 3.04Å; K138-I147 HydrophobicContact CD-CG2 4.11Å; K138-I147 HydrophobicContact CG-CG2 4.41Å; K138-N148 VanDerWaalsContact CE-OD1 3.31Å; K138-N148 WeakPolarHBondContact CE-OD1 3.49Å; K138-N148 PolarHBondContact NZ-OD1 3.21Å |
| 139 | Q | 86.1 | Confident | 87.4 | Confident | 147 Ų | 147 | 61.3 Ų | 61.3 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65 | -45.1 | 175.3 | -173.6 | -179.9 | 10.6 | 0 | 0 | 111.7 | D135 K136 A137 L141 H142 | D135-Q139 WeakPolarHBondContact O-CB 3.47Å; D135-Q139 PolarHBondContact O-N 3.34Å; K136-Q139 PolarHBondContact O-N 2.75Å; A137-Q139 VanDerWaalsContact C-N 3.31Å; A137-Q139 PolarHBondContact O-N 3.27Å; Q139-L141 PolarHBondContact O-N 2.98Å; Q139-H142 PolarHBondContact O-N 3.11Å |
| 140 | A | 84.7 | Confident | 87.9 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -29.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K136 A137 H142 I234 | K136-A140 WeakPolarHBondContact O-CB 3.37Å; K136-A140 PolarHBondContact O-N 2.99Å; A137-A140 PolarHBondContact O-N 3.35Å; A140-H142 VanDerWaalsContact C-N 3.35Å; A140-I234 HydrophobicContact CB-CG2 3.83Å |
| 141 | L | 85.2 | Confident | 88.3 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.5 | 174.2 | -69.9 | 171.1 | 0 | 0 | 0 | 114.1 | V42 H46 A137 K138 Q139 L143 I234 F250 V253 F255 | V42-L141 HydrophobicContact CG1-CD1 3.98Å; H46-L141 PolarHBondContact CE1-O 2.83Å; A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 WeakPolarHBondContact O-CG 3.35Å; A137-L141 PolarHBondContact O-N 3.18Å; K138-L141 CarbonylContact O-C 3.51Å; K138-L141 PolarHBondContact O-N 3.18Å; Q139-L141 PolarHBondContact O-N 2.98Å; L141-L143 HydrophobicContact CB-CD1 3.84Å; L141-L143 HydrophobicContact CB-CG 3.78Å; L141-L143 HydrophobicContact CD1-CD1 3.93Å; L141-L143 PolarHBondContact O-N 3.49Å; L141-L143 VanDerWaalsContact O-N 3.13Å; L141-I234 HydrophobicContact CD1-CD1 3.94Å; L141-I234 HydrophobicContact CG-CD1 4.46Å; L141-I234 HydrophobicContact CG-CG2 4.15Å; L141-F250 HydrophobicContact CD2-CE1 3.94Å; L141-V253 HydrophobicContact CD2-CG1 4.06Å; L141-F255 HydrophobicContact CD2-CD1 4.22Å; L141-F255 HydrophobicContact CD2-CE1 3.33Å; L141-F255 HydrophobicContact CD2-CZ 3.7Å; L141-F255 HydrophobicContact CG-CE1 4.27Å |
| 142 | H | 84.4 | Confident | 88.7 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 26.3 | -178.1 | -55.1 | -75 | 0 | 0 | 0 | 115.2 | K138 Q139 A140 G144 | K138-H142 PolarHBondContact O-N 3.24Å; K138-H142 VanDerWaalsContact O-N 3.14Å; Q139-H142 PolarHBondContact O-N 3.11Å; A140-H142 VanDerWaalsContact C-N 3.35Å; H142-G144 PolarHBondContact O-N 3.39Å |
| 143 | L | 86.8 | Confident | 89.2 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | trans | -76.9 | -13.1 | -178.6 | -62.4 | 170.1 | 0 | 0 | 0 | 113.4 | V42 I49 K138 L141 I147 | V42-L143 HydrophobicContact CG1-CD1 4.25Å; V42-L143 HydrophobicContact CG2-CD1 4.18Å; I49-L143 HydrophobicContact CD1-CD2 4.2Å; K138-L143 HydrophobicContact CB-CB 4.47Å; K138-L143 HydrophobicContact CG-CD1 4.36Å; K138-L143 PolarHBondContact O-N 3.04Å; L141-L143 HydrophobicContact CB-CD1 3.84Å; L141-L143 HydrophobicContact CB-CG 3.78Å; L141-L143 HydrophobicContact CD1-CD1 3.93Å; L141-L143 PolarHBondContact O-N 3.49Å; L141-L143 VanDerWaalsContact O-N 3.13Å; L143-I147 HydrophobicContact CB-CB 4.27Å; L143-I147 HydrophobicContact CB-CD1 4.24Å; L143-I147 HydrophobicContact CB-CG2 3.92Å; L143-I147 HydrophobicContact CD1-CD1 3.79Å; L143-I147 HydrophobicContact CD2-CD1 4.31Å; L143-I147 HydrophobicContact CG-CD1 4.33Å | ||
| 144 | G | 80.3 | Confident | 89.9 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -172.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H142 E146 | H142-G144 PolarHBondContact O-N 3.39Å; G144-E146 VanDerWaalsContact C-N 3.31Å; G144-E146 VanDerWaalsContact CA-OE2 3.29Å; G144-E146 WeakPolarHBondContact CA-OE2 3.34Å |
| 145 | N | 87.4 | Confident | 90.4 | Very high | 129 Ų | 129 | 47.3 Ų | 47.3 | 69% | 0.69 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.4 | 173.2 | -74.7 | -27.3 | 0 | 0 | 0 | 111.7 | I147 N148 K149 | N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 2.93Å; N145-N148 WeakPolarHBondContact O-CB 3.39Å; N145-N148 PolarHBondContact O-N 3.36Å; N145-N148 VanDerWaalsContact O-N 3.09Å; N145-K149 PolarHBondContact O-N 2.95Å |
| 146 | E | 92.4 | Very high | 90.8 | Very high | 121 Ų | 121 | 48 Ų | 48 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62 | -35.4 | -178.3 | -66.2 | 82.3 | 172 | 0 | 0 | 111.4 | I49 G144 N148 K149 M150 | I49-E146 HydrophobicContact CG2-CB 3.81Å; G144-E146 VanDerWaalsContact C-N 3.31Å; G144-E146 VanDerWaalsContact CA-OE2 3.29Å; G144-E146 WeakPolarHBondContact CA-OE2 3.34Å; E146-N148 VanDerWaalsContact C-N 3.29Å; E146-N148 PolarHBondContact O-N 2.83Å; E146-K149 PolarHBondContact O-N 3.5Å; E146-M150 PolarHBondContact O-N 3.39Å |
| 147 | I | 95.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 174.4 | -164.5 | 173.7 | 0 | 0 | 0 | 112.1 | M38 V42 I49 K138 L143 N145 M150 I151 | M38-I147 HydrophobicContact SD-CD1 4.39Å; V42-I147 HydrophobicContact CG2-CD1 4.2Å; I49-I147 HydrophobicContact CD1-CB 4.07Å; I49-I147 HydrophobicContact CD1-CG1 4.37Å; K138-I147 HydrophobicContact CD-CG2 4.11Å; K138-I147 HydrophobicContact CG-CG2 4.41Å; L143-I147 HydrophobicContact CB-CB 4.27Å; L143-I147 HydrophobicContact CB-CD1 4.24Å; L143-I147 HydrophobicContact CB-CG2 3.92Å; L143-I147 HydrophobicContact CD1-CD1 3.79Å; L143-I147 HydrophobicContact CD2-CD1 4.31Å; L143-I147 HydrophobicContact CG-CD1 4.33Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 2.93Å; I147-M150 HydrophobicContact CG1-CE 4.11Å; I147-M150 PolarHBondContact O-N 2.94Å; I147-I151 HydrophobicContact CD1-CD1 4.5Å; I147-I151 HydrophobicContact CG1-CD1 3.99Å; I147-I151 HydrophobicContact CG1-CG1 4.45Å; I147-I151 WeakPolarHBondContact O-CB 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.24Å |
| 148 | N | 93.3 | Very high | 92 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 177.9 | -68.4 | -24.2 | 0 | 0 | 0 | 110.3 | K138 N145 E146 M150 I151 M152 | K138-N148 VanDerWaalsContact CE-OD1 3.31Å; K138-N148 WeakPolarHBondContact CE-OD1 3.49Å; K138-N148 PolarHBondContact NZ-OD1 3.21Å; N145-N148 WeakPolarHBondContact O-CB 3.39Å; N145-N148 PolarHBondContact O-N 3.36Å; N145-N148 VanDerWaalsContact O-N 3.09Å; E146-N148 VanDerWaalsContact C-N 3.29Å; E146-N148 PolarHBondContact O-N 2.83Å; N148-M150 PolarHBondContact O-N 3.4Å; N148-I151 PolarHBondContact O-N 3.28Å; N148-M152 WeakPolarHBondContact O-CB 3.26Å; N148-M152 VanDerWaalsContact O-CG 3.24Å; N148-M152 WeakPolarHBondContact O-CG 3.31Å; N148-M152 PolarHBondContact O-N 2.78Å |
| 149 | K | 95 | Very high | 92.4 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 46% | 0.461 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.2 | -171.1 | -179.3 | 161.3 | 35.6 | 0 | 111.3 | Q53 N145 E146 I151 M152 D153 | Q53-K149 VanDerWaalsContact NE2-CE 3.3Å; Q53-K149 VanDerWaalsContact OE1-C 3.3Å; Q53-K149 VanDerWaalsContact OE1-CG 3.28Å; N145-K149 PolarHBondContact O-N 2.95Å; E146-K149 PolarHBondContact O-N 3.5Å; K149-I151 PolarHBondContact O-N 2.87Å; K149-M152 PolarHBondContact O-N 3.37Å; K149-D153 IonicContact NZ-OD1 3.33Å; K149-D153 IonicContact NZ-OD2 3.18Å; K149-D153 PolarHBondContact NZ-OD2 3.45Å; K149-D153 WeakPolarHBondContact O-CB 3.31Å; K149-D153 PolarHBondContact O-N 3.16Å |
| 150 | M | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 178.2 | -178.3 | -158.8 | 69.6 | 0 | 0 | 111.8 | M38 I41 I49 W52 Q53 F56 P87 E146 I147 N148 S154 | M38-M150 HydrophobicContact CE-CE 3.65Å; M38-M150 HydrophobicContact SD-CE 3.98Å; I41-M150 HydrophobicContact CD1-CE 4.02Å; I41-M150 HydrophobicContact CD1-SD 4.22Å; I49-M150 HydrophobicContact CB-SD 4.42Å; I49-M150 HydrophobicContact CG1-SD 4.45Å; I49-M150 HydrophobicContact CG2-CB 4.36Å; I49-M150 HydrophobicContact CG2-SD 4.36Å; W52-M150 HydrophobicContact CB-CG 3.75Å; W52-M150 HydrophobicContact CB-SD 3.53Å; W52-M150 VanDerWaalsContact CB-SD 3.53Å; W52-M150 HydrophobicContact CG-SD 4.05Å; Q53-M150 VanDerWaalsContact OE1-CA 3.3Å; Q53-M150 VanDerWaalsContact OE1-N 3.12Å; F56-M150 HydrophobicContact CD2-CG 4.47Å; F56-M150 HydrophobicContact CE2-CG 4.38Å; P87-M150 HydrophobicContact CG-CE 4.37Å; P87-M150 HydrophobicContact CG-SD 4.17Å; E146-M150 PolarHBondContact O-N 3.39Å; I147-M150 HydrophobicContact CG1-CE 4.11Å; I147-M150 PolarHBondContact O-N 2.94Å; N148-M150 PolarHBondContact O-N 3.4Å; M150-S154 VanDerWaalsContact O-CB 3.27Å; M150-S154 WeakPolarHBondContact O-CB 3.46Å; M150-S154 PolarHBondContact O-N 3.31Å; M150-S154 PolarHBondContact O-OG 2.86Å |
| 151 | I | 96.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 176.1 | -70.8 | 166.3 | 0 | 0 | 0 | 109.9 | M38 V122 I147 N148 K149 S154 L155 | M38-I151 HydrophobicContact CE-CD1 4.1Å; M38-I151 HydrophobicContact CE-CG1 3.63Å; V122-I151 HydrophobicContact CG1-CG2 4.19Å; I147-I151 HydrophobicContact CD1-CD1 4.5Å; I147-I151 HydrophobicContact CG1-CD1 3.99Å; I147-I151 HydrophobicContact CG1-CG1 4.45Å; I147-I151 WeakPolarHBondContact O-CB 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.24Å; N148-I151 PolarHBondContact O-N 3.28Å; K149-I151 PolarHBondContact O-N 2.87Å; I151-S154 PolarHBondContact O-N 2.95Å; I151-S154 PolarHBondContact O-OG 3.48Å; I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 3.23Å |
| 152 | M | 95.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | -178.3 | -76 | -50.1 | -52 | 0 | 0 | 112.8 | L123 N148 K149 S154 L155 R156 L164 I166 | L123-M152 HydrophobicContact CD2-SD 4.24Å; N148-M152 WeakPolarHBondContact O-CB 3.26Å; N148-M152 VanDerWaalsContact O-CG 3.24Å; N148-M152 WeakPolarHBondContact O-CG 3.31Å; N148-M152 PolarHBondContact O-N 2.78Å; K149-M152 PolarHBondContact O-N 3.37Å; M152-S154 VanDerWaalsContact C-N 3.3Å; M152-S154 PolarHBondContact O-N 3.47Å; M152-L155 PolarHBondContact O-N 3.08Å; M152-R156 WeakPolarHBondContact O-CG 3.14Å; M152-R156 PolarHBondContact O-N 3Å; M152-L164 HydrophobicContact CE-CD2 4.14Å; M152-I166 HydrophobicContact CE-CG2 3.28Å; M152-I166 HydrophobicContact SD-CG2 3.88Å |
| 153 | D | 96.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -33.1 | 178.9 | -68.9 | -14 | 0 | 0 | 0 | 111.3 | Q53 F56 L60 K149 L155 R156 Y157 | Q53-D153 PolarHBondContact NE2-OD2 2.95Å; F56-D153 HydrophobicContact CB-CB 3.91Å; F56-D153 HydrophobicContact CG-CB 4.3Å; L60-D153 HydrophobicContact CD1-CB 3.88Å; K149-D153 IonicContact NZ-OD1 3.33Å; K149-D153 IonicContact NZ-OD2 3.18Å; K149-D153 PolarHBondContact NZ-OD2 3.45Å; K149-D153 WeakPolarHBondContact O-CB 3.31Å; K149-D153 PolarHBondContact O-N 3.16Å; D153-L155 VanDerWaalsContact C-N 3.35Å; D153-L155 PolarHBondContact O-N 3.45Å; D153-R156 PolarHBondContact O-N 3.35Å; D153-R156 IonicContact OD1-NH1 2.71Å; D153-R156 PolarHBondContact OD1-NH1 3.47Å; D153-Y157 WeakPolarHBondContact O-CB 3.28Å; D153-Y157 PolarHBondContact O-N 3.1Å |
| 154 | S | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 172.6 | 78.4 | 0 | 0 | 0 | 0 | 113 | F56 A90 M150 I151 M152 A158 | F56-S154 VanDerWaalsContact CE1-CA 3.47Å; F56-S154 VanDerWaalsContact CE2-CB 3.45Å; F56-S154 VanDerWaalsContact CZ-CA 3.48Å; A90-S154 WeakPolarHBondContact CB-O 3.37Å; M150-S154 VanDerWaalsContact O-CB 3.27Å; M150-S154 WeakPolarHBondContact O-CB 3.46Å; M150-S154 PolarHBondContact O-N 3.31Å; M150-S154 PolarHBondContact O-OG 2.86Å; I151-S154 PolarHBondContact O-N 2.95Å; I151-S154 PolarHBondContact O-OG 3.48Å; M152-S154 VanDerWaalsContact C-N 3.3Å; M152-S154 PolarHBondContact O-N 3.47Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.32Å; S154-A158 PolarHBondContact O-N 2.93Å |
| 155 | L | 97.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73 | -41.1 | 178.1 | -69.3 | 171.1 | 0 | 0 | 0 | 111.7 | L15 V86 L123 I151 M152 D153 Y157 A158 F159 L164 | L15-L155 HydrophobicContact CD2-CD2 4.35Å; V86-L155 HydrophobicContact CG1-CD2 4.2Å; L123-L155 HydrophobicContact CD1-CD1 3.66Å; L123-L155 HydrophobicContact CD2-CD1 3.76Å; L123-L155 HydrophobicContact CG-CD1 4.2Å; I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 3.23Å; M152-L155 PolarHBondContact O-N 3.08Å; D153-L155 VanDerWaalsContact C-N 3.35Å; D153-L155 PolarHBondContact O-N 3.45Å; L155-Y157 VanDerWaalsContact C-N 3.31Å; L155-Y157 PolarHBondContact O-N 3.42Å; L155-A158 PolarHBondContact O-N 3.03Å; L155-F159 HydrophobicContact CB-CD2 4.27Å; L155-F159 HydrophobicContact CB-CE2 4.03Å; L155-F159 HydrophobicContact CD2-CE2 4.11Å; L155-F159 HydrophobicContact CD2-CZ 3.92Å; L155-F159 VanDerWaalsContact O-CB 3.29Å; L155-F159 WeakPolarHBondContact O-CB 3.42Å; L155-F159 VanDerWaalsContact O-CD2 3.27Å; L155-F159 WeakPolarHBondContact O-CD2 3.43Å; L155-F159 WeakPolarHBondContact O-CG 3.35Å; L155-F159 PolarHBondContact O-N 3.39Å; L155-L164 HydrophobicContact CB-CD2 4.24Å |
| 156 | R | 96.5 | Very high | 94.5 | Very high | 81 Ų | 81 | 48 Ų | 48 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 172.7 | -72.3 | 174.8 | 173.7 | 153.5 | -5 | 111.3 | M152 D153 F159 Q160 E161 D162 L164 | M152-R156 WeakPolarHBondContact O-CG 3.14Å; M152-R156 PolarHBondContact O-N 3Å; D153-R156 PolarHBondContact O-N 3.35Å; D153-R156 IonicContact OD1-NH1 2.71Å; D153-R156 PolarHBondContact OD1-NH1 3.47Å; R156-F159 PolarHBondContact O-N 3.46Å; R156-Q160 WeakPolarHBondContact O-CA 3.1Å; R156-Q160 PolarHBondContact O-N 3.12Å; R156-E161 WeakPolarHBondContact CG-O 3.43Å; R156-E161 PolarHBondContact O-N 3.14Å; R156-E161 VanDerWaalsContact O-N 3.13Å; R156-D162 PolarHBondContact NE-O 2.77Å; R156-L164 HydrophobicContact CG-CB 4.31Å |
| 157 | Y | 97.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177.8 | -169.7 | -115.5 | 0 | 0 | 0 | 112 | F56 A59 L60 A90 F91 E94 D153 L155 Q160 | F56-Y157 HydrophobicContact CD1-CD1 4.38Å; F56-Y157 HydrophobicContact CD1-CG 4.33Å; F56-Y157 HydrophobicContact CE1-CD1 4.15Å; F56-Y157 HydrophobicContact CE1-CG 4.45Å; A59-Y157 HydrophobicContact CB-CD2 3.97Å; A59-Y157 HydrophobicContact CB-CE1 4.28Å; A59-Y157 HydrophobicContact CB-CE2 3.66Å; A59-Y157 HydrophobicContact CB-CG 4.42Å; L60-Y157 HydrophobicContact CD2-CD2 4.07Å; A90-Y157 HydrophobicContact CB-CD1 3.92Å; A90-Y157 WeakPolarHBondContact O-CE1 3.34Å; F91-Y157 HydrophobicContact CD1-CD1 4.27Å; F91-Y157 AromaticContact CD1-CE1 3.59Å; F91-Y157 HydrophobicContact CD1-CE1 3.59Å; F91-Y157 HydrophobicContact CE1-CD1 4.06Å; F91-Y157 AromaticContact CE1-CE1 3.52Å; F91-Y157 HydrophobicContact CE1-CE1 3.52Å; F91-Y157 HydrophobicContact CG-CE1 4.33Å; F91-Y157 HydrophobicContact CZ-CD1 4.33Å; F91-Y157 HydrophobicContact CZ-CE1 4.24Å; E94-Y157 PolarHBondContact OE1-OH 3.06Å; D153-Y157 WeakPolarHBondContact O-CB 3.28Å; D153-Y157 PolarHBondContact O-N 3.1Å; L155-Y157 VanDerWaalsContact C-N 3.31Å; L155-Y157 PolarHBondContact O-N 3.42Å; Y157-Q160 PolarHBondContact O-N 3.4Å |
| 158 | A | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A90 S154 L155 Q160 Y179 M182 | A90-A158 HydrophobicContact CB-CB 3.88Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.32Å; S154-A158 PolarHBondContact O-N 2.93Å; L155-A158 PolarHBondContact O-N 3.03Å; A158-Q160 VanDerWaalsContact C-N 3.28Å; A158-Q160 PolarHBondContact O-N 2.68Å; A158-Y179 HydrophobicContact CB-CD2 4.03Å; A158-Y179 HydrophobicContact CB-CE2 3.77Å; A158-Y179 VanDerWaalsContact O-CD2 3.28Å; A158-Y179 WeakPolarHBondContact O-CD2 3.36Å; A158-M182 WeakPolarHBondContact O-CE 3.27Å |
| 159 | F | 96.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.1 | -14.4 | -177.2 | -60.4 | -27 | 0 | 0 | 0 | 113.9 | L15 L155 R156 E161 L164 C175 K178 | L15-F159 HydrophobicContact CD1-CE1 3.72Å; L15-F159 HydrophobicContact CD1-CZ 4.34Å; L15-F159 HydrophobicContact CD2-CE1 3.76Å; L15-F159 HydrophobicContact CD2-CZ 4.29Å; L15-F159 HydrophobicContact CG-CE1 4.41Å; L155-F159 HydrophobicContact CB-CD2 4.27Å; L155-F159 HydrophobicContact CB-CE2 4.03Å; L155-F159 HydrophobicContact CD2-CE2 4.11Å; L155-F159 HydrophobicContact CD2-CZ 3.92Å; L155-F159 VanDerWaalsContact O-CB 3.29Å; L155-F159 WeakPolarHBondContact O-CB 3.42Å; L155-F159 VanDerWaalsContact O-CD2 3.27Å; L155-F159 WeakPolarHBondContact O-CD2 3.43Å; L155-F159 WeakPolarHBondContact O-CG 3.35Å; L155-F159 PolarHBondContact O-N 3.39Å; R156-F159 PolarHBondContact O-N 3.46Å; F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 HydrophobicContact CB-CB 4.16Å; F159-L164 HydrophobicContact CD2-CD1 3.87Å; F159-L164 HydrophobicContact CD2-CD2 3.81Å; F159-L164 HydrophobicContact CE2-CD1 4.33Å; F159-L164 HydrophobicContact CE2-CD2 4.05Å; F159-C175 HydrophobicContact CB-CB 4.12Å; F159-C175 HydrophobicContact CD1-CB 3.88Å; F159-C175 HydrophobicContact CD2-CB 3.69Å; F159-C175 HydrophobicContact CE1-CB 4.15Å; F159-C175 HydrophobicContact CE2-CB 3.97Å; F159-C175 HydrophobicContact CG-CB 3.64Å; F159-C175 HydrophobicContact CZ-CB 4.2Å; F159-K178 PolarHBondContact O-NZ 3.49Å |
| 160 | Q | 94.7 | Very high | 95 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 50.5 | -168.7 | -57.7 | 177.5 | -16.2 | 0 | 0 | 110.3 | R156 Y157 A158 | R156-Q160 WeakPolarHBondContact O-CA 3.1Å; R156-Q160 PolarHBondContact O-N 3.12Å; Y157-Q160 PolarHBondContact O-N 3.4Å; A158-Q160 VanDerWaalsContact C-N 3.28Å; A158-Q160 PolarHBondContact O-N 2.68Å |
| 161 | E | 93 | Very high | 94.9 | Very high | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | trans | -139.6 | 102.8 | -177.7 | -178.3 | 52.6 | -107.2 | 0 | 0 | 110.2 | R156 F159 N163 L164 | R156-E161 WeakPolarHBondContact CG-O 3.43Å; R156-E161 PolarHBondContact O-N 3.14Å; R156-E161 VanDerWaalsContact O-N 3.13Å; F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 HydrophobicContact CB-CB 4.16Å; E161-N163 PolarHBondContact OE1-N 3.35Å; E161-L164 HydrophobicContact CG-CB 4.24Å; E161-L164 HydrophobicContact CG-CD1 4.44Å | ||
| 162 | D | 88.1 | Confident | 94.9 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33.8 | -179.4 | -68.6 | -31.7 | 0 | 0 | 0 | 111.8 | R156 L164 | R156-D162 PolarHBondContact NE-O 2.77Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.68Å |
| 163 | N | 88.8 | Confident | 95 | Very high | 143 Ų | 143 | 49.9 Ų | 49.9 | 77% | 0.765 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 40.1 | -177 | -62 | -54 | 0 | 0 | 0 | 111.9 | E161 D165 | E161-N163 PolarHBondContact OE1-N 3.35Å; N163-D165 PolarHBondContact O-N 2.94Å |
| 164 | L | 90.1 | Very high | 95 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | trans | -60.7 | 103.2 | 179.7 | -175.8 | 66.7 | 0 | 0 | 0 | 111.3 | M152 L155 R156 F159 E161 D162 I166 V171 L172 | M152-L164 HydrophobicContact CE-CD2 4.14Å; L155-L164 HydrophobicContact CB-CD2 4.24Å; R156-L164 HydrophobicContact CG-CB 4.31Å; F159-L164 HydrophobicContact CD2-CD1 3.87Å; F159-L164 HydrophobicContact CD2-CD2 3.81Å; F159-L164 HydrophobicContact CE2-CD1 4.33Å; F159-L164 HydrophobicContact CE2-CD2 4.05Å; E161-L164 HydrophobicContact CG-CB 4.24Å; E161-L164 HydrophobicContact CG-CD1 4.44Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.68Å; L164-I166 HydrophobicContact CD2-CG2 4.08Å; L164-I166 HydrophobicContact CG-CG2 4.13Å; L164-I166 PolarHBondContact O-N 2.92Å; L164-I166 VanDerWaalsContact O-N 3.16Å; L164-V171 HydrophobicContact CD1-CG1 4.16Å; L164-L172 HydrophobicContact CD1-CD2 4.09Å | ||
| 165 | D | 92.9 | Very high | 95 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | trans | -76.6 | 96.4 | 167.1 | -177.4 | -4.4 | 0 | 0 | 0 | 109.1 | N163 D167 N168 | N163-D165 PolarHBondContact O-N 2.94Å; D165-D167 PolarHBondContact O-N 2.88Å; D165-D167 PolarHBondContact OD1-N 3.37Å; D165-N168 HydrophobicContact CB-CB 4.05Å; D165-N168 PolarHBondContact O-N 3.04Å; D165-N168 PolarHBondContact OD1-N 3.48Å; D165-N168 WeakPolarHBondContact OD2-CB 3.24Å | ||
| 166 | I | 91 | Very high | 95 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.205 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20 | 179.8 | 58.9 | 167.6 | 0 | 0 | 0 | 113.4 | R119 M152 L164 | R119-I166 PolarHBondContact NH1-O 3.46Å; R119-I166 PolarHBondContact NH2-O 2.82Å; M152-I166 HydrophobicContact CE-CG2 3.28Å; M152-I166 HydrophobicContact SD-CG2 3.88Å; L164-I166 HydrophobicContact CD2-CG2 4.08Å; L164-I166 HydrophobicContact CG-CG2 4.13Å; L164-I166 PolarHBondContact O-N 2.92Å; L164-I166 VanDerWaalsContact O-N 3.16Å |
| 167 | D | 94.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15.3 | -179.1 | -78 | -39.1 | 0 | 0 | 0 | 112.4 | R119 K125 S126 D165 D169 | R119-D167 PolarHBondContact NH2-O 2.87Å; K125-D167 WeakPolarHBondContact CA-OD1 3.43Å; K125-D167 WeakPolarHBondContact CB-OD1 3.19Å; K125-D167 WeakPolarHBondContact CE-O 3.18Å; S126-D167 VanDerWaalsContact CB-OD2 3.24Å; S126-D167 WeakPolarHBondContact CB-OD2 3.45Å; S126-D167 PolarHBondContact N-OD1 3.02Å; S126-D167 PolarHBondContact OG-OD1 3.22Å; S126-D167 PolarHBondContact OG-OD2 3.38Å; D165-D167 PolarHBondContact O-N 2.88Å; D165-D167 PolarHBondContact OD1-N 3.37Å; D167-D169 PolarHBondContact O-N 3.13Å |
| 168 | N | 96.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | trans | -84.6 | 109.7 | 176.7 | -170.8 | -26 | 0 | 0 | 0 | 111.4 | D165 E170 V171 L172 | D165-N168 HydrophobicContact CB-CB 4.05Å; D165-N168 PolarHBondContact O-N 3.04Å; D165-N168 PolarHBondContact OD1-N 3.48Å; D165-N168 WeakPolarHBondContact OD2-CB 3.24Å; N168-E170 PolarHBondContact O-N 3.14Å; N168-E170 WeakPolarHBondContact OD1-CB 3.35Å; N168-E170 PolarHBondContact OD1-N 2.53Å; N168-V171 HydrophobicContact CB-CB 4Å; N168-V171 HydrophobicContact CB-CG2 3.9Å; N168-V171 WeakPolarHBondContact ND2-CG2 3.49Å; N168-V171 PolarHBondContact O-N 2.59Å; N168-V171 PolarHBondContact OD1-N 3.22Å; N168-L172 PolarHBondContact O-N 3.43Å; N168-L172 VanDerWaalsContact O-N 3.12Å | ||
| 169 | D | 97.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 60 Ų | 60 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | -178.8 | -72.3 | -23.2 | 0 | 0 | 0 | 113 | L115 R119 K125 D167 L172 L173 | L115-D169 HydrophobicContact CD1-CB 4.41Å; L115-D169 HydrophobicContact CD2-CB 3.75Å; R119-D169 IonicContact CZ-OD1 3.52Å; R119-D169 IonicContact NE-OD1 2.53Å; R119-D169 PolarHBondContact NE-OD1 3.17Å; R119-D169 IonicContact NH2-OD1 3.99Å; R119-D169 PolarHBondContact NH2-OD1 2.83Å; K125-D169 WeakPolarHBondContact CE-OD1 3.42Å; K125-D169 VanDerWaalsContact CE-OD2 3.31Å; K125-D169 WeakPolarHBondContact CE-OD2 3.27Å; K125-D169 IonicContact NZ-OD1 2.71Å; K125-D169 IonicContact NZ-OD2 3.37Å; K125-D169 PolarHBondContact NZ-OD2 3.25Å; D167-D169 PolarHBondContact O-N 3.13Å; D169-L172 PolarHBondContact O-N 3.39Å; D169-L173 WeakPolarHBondContact O-CB 2.85Å; D169-L173 VanDerWaalsContact O-CG 3.27Å; D169-L173 WeakPolarHBondContact O-CG 3.06Å; D169-L173 PolarHBondContact O-N 2.87Å |
| 170 | E | 97.2 | Very high | 95.3 | Very high | 142 Ų | 142 | 60.4 Ų | 60.4 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | 178.4 | -65.8 | 177.2 | 175.4 | 0 | 0 | 110 | N168 L172 L173 E174 | N168-E170 PolarHBondContact O-N 3.14Å; N168-E170 WeakPolarHBondContact OD1-CB 3.35Å; N168-E170 PolarHBondContact OD1-N 2.53Å; E170-L172 PolarHBondContact O-N 2.87Å; E170-L173 PolarHBondContact O-N 3.46Å; E170-E174 WeakPolarHBondContact O-CG 3.1Å; E170-E174 PolarHBondContact O-N 3.38Å |
| 171 | V | 96.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L164 N168 L173 E174 C175 | L164-V171 HydrophobicContact CD1-CG1 4.16Å; N168-V171 HydrophobicContact CB-CB 4Å; N168-V171 HydrophobicContact CB-CG2 3.9Å; N168-V171 WeakPolarHBondContact ND2-CG2 3.49Å; N168-V171 PolarHBondContact O-N 2.59Å; N168-V171 PolarHBondContact OD1-N 3.22Å; V171-L173 PolarHBondContact O-N 3.23Å; V171-E174 PolarHBondContact O-N 3.09Å; V171-C175 WeakPolarHBondContact O-CB 3.2Å; V171-C175 PolarHBondContact O-N 2.93Å; V171-C175 PolarHBondContact O-SG 2.94Å |
| 172 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.9 | -75.2 | -172.4 | 0 | 0 | 0 | 112.9 | W114 L115 R119 L164 N168 D169 E170 C175 Y176 | W114-L172 HydrophobicContact CZ3-CB 4.42Å; L115-L172 HydrophobicContact CD1-CB 4.17Å; L115-L172 HydrophobicContact CD1-CD1 4.13Å; R119-L172 VanDerWaalsContact CZ-CD1 3.46Å; R119-L172 VanDerWaalsContact NH2-CD1 3.29Å; L164-L172 HydrophobicContact CD1-CD2 4.09Å; N168-L172 PolarHBondContact O-N 3.43Å; N168-L172 VanDerWaalsContact O-N 3.12Å; D169-L172 PolarHBondContact O-N 3.39Å; E170-L172 PolarHBondContact O-N 2.87Å; L172-C175 PolarHBondContact O-N 3.42Å; L172-Y176 WeakPolarHBondContact O-CB 3.45Å; L172-Y176 PolarHBondContact O-N 3.35Å |
| 173 | L | 97.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.2 | -74.8 | 169.4 | 0 | 0 | 0 | 111.5 | K111 L115 D169 E170 V171 Y176 E177 | K111-L173 HydrophobicContact CB-CD2 3.81Å; K111-L173 HydrophobicContact CD-CD2 4.25Å; K111-L173 HydrophobicContact CG-CD2 3.87Å; K111-L173 VanDerWaalsContact O-CD2 3.29Å; K111-L173 WeakPolarHBondContact O-CD2 3.36Å; L115-L173 HydrophobicContact CB-CD2 3.84Å; L115-L173 HydrophobicContact CB-CG 4.41Å; L115-L173 HydrophobicContact CD2-CD1 3.89Å; L115-L173 HydrophobicContact CD2-CD2 4.19Å; L115-L173 HydrophobicContact CD2-CG 3.96Å; D169-L173 WeakPolarHBondContact O-CB 2.85Å; D169-L173 VanDerWaalsContact O-CG 3.27Å; D169-L173 WeakPolarHBondContact O-CG 3.06Å; D169-L173 PolarHBondContact O-N 2.87Å; E170-L173 PolarHBondContact O-N 3.46Å; V171-L173 PolarHBondContact O-N 3.23Å; L173-Y176 WeakPolarHBondContact O-CB 3.03Å; L173-Y176 PolarHBondContact O-N 3.11Å; L173-E177 PolarHBondContact O-N 3.07Å |
| 174 | E | 97 | Very high | 96.7 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.8 | -44.3 | 175.3 | -72.7 | 179.6 | 177.7 | 0 | 0 | 111.6 | E170 V171 Y176 E177 K178 | E170-E174 WeakPolarHBondContact O-CG 3.1Å; E170-E174 PolarHBondContact O-N 3.38Å; V171-E174 PolarHBondContact O-N 3.09Å; E174-Y176 VanDerWaalsContact C-N 3.33Å; E174-Y176 PolarHBondContact O-N 2.68Å; E174-E177 PolarHBondContact O-N 2.76Å; E174-K178 WeakPolarHBondContact O-CB 3.35Å; E174-K178 PolarHBondContact O-N 2.78Å |
| 175 | C | 97.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.6 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | F159 V171 L172 Y179 | F159-C175 HydrophobicContact CB-CB 4.12Å; F159-C175 HydrophobicContact CD1-CB 3.88Å; F159-C175 HydrophobicContact CD2-CB 3.69Å; F159-C175 HydrophobicContact CE1-CB 4.15Å; F159-C175 HydrophobicContact CE2-CB 3.97Å; F159-C175 HydrophobicContact CG-CB 3.64Å; F159-C175 HydrophobicContact CZ-CB 4.2Å; V171-C175 WeakPolarHBondContact O-CB 3.2Å; V171-C175 PolarHBondContact O-N 2.93Å; V171-C175 PolarHBondContact O-SG 2.94Å; L172-C175 PolarHBondContact O-N 3.42Å; C175-Y179 VanDerWaalsContact O-CB 3.24Å; C175-Y179 WeakPolarHBondContact O-CB 2.97Å; C175-Y179 PolarHBondContact O-N 3.33Å |
| 176 | Y | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 176.4 | 177.2 | -103.4 | 0 | 0 | 0 | 112.2 | L15 T18 R109 K111 W114 L172 L173 E174 Y179 N180 | L15-Y176 HydrophobicContact CD1-CD2 3.54Å; L15-Y176 HydrophobicContact CD1-CE2 4.06Å; T18-Y176 HydrophobicContact CG2-CE2 3.77Å; R109-Y176 PolarHBondContact N-OH 2.94Å; R109-Y176 PolarHBondContact O-OH 3.1Å; R109-Y176 VanDerWaalsContact O-OH 3.08Å; K111-Y176 HydrophobicContact CB-CD1 3.8Å; K111-Y176 HydrophobicContact CB-CE1 3.94Å; W114-Y176 HydrophobicContact CB-CE1 4.48Å; W114-Y176 HydrophobicContact CB-CE2 4.35Å; W114-Y176 AromaticContact CD1-CE2 3.72Å; W114-Y176 HydrophobicContact CD2-CD1 4.46Å; W114-Y176 AromaticContact CD2-CD2 3.41Å; W114-Y176 HydrophobicContact CD2-CD2 3.41Å; W114-Y176 VanDerWaalsContact CD2-CD2 3.41Å; W114-Y176 AromaticContact CD2-CE2 3.72Å; W114-Y176 HydrophobicContact CD2-CE2 3.72Å; W114-Y176 AromaticContact CD2-CG 3.84Å; W114-Y176 HydrophobicContact CD2-CG 3.84Å; W114-Y176 AromaticContact CE2-CD2 3.44Å; W114-Y176 VanDerWaalsContact CE2-CD2 3.44Å; W114-Y176 AromaticContact CE2-CE2 3.82Å; W114-Y176 HydrophobicContact CE3-CD1 4.24Å; W114-Y176 AromaticContact CE3-CD2 3.71Å; W114-Y176 HydrophobicContact CE3-CD2 3.71Å; W114-Y176 HydrophobicContact CE3-CE2 4.38Å; W114-Y176 AromaticContact CE3-CG 3.65Å; W114-Y176 HydrophobicContact CE3-CG 3.65Å; W114-Y176 AromaticContact CG-CD2 3.9Å; W114-Y176 HydrophobicContact CG-CD2 3.9Å; W114-Y176 AromaticContact CG-CE2 3.67Å; W114-Y176 HydrophobicContact CG-CE2 3.67Å; W114-Y176 HydrophobicContact CG-CG 4.46Å; W114-Y176 HydrophobicContact CH2-CD2 4.05Å; W114-Y176 HydrophobicContact CH2-CG 4.27Å; W114-Y176 AromaticContact CZ2-CD2 3.77Å; W114-Y176 HydrophobicContact CZ2-CD2 3.77Å; W114-Y176 HydrophobicContact CZ2-CG 4.44Å; W114-Y176 HydrophobicContact CZ3-CD2 4.03Å; W114-Y176 AromaticContact CZ3-CG 3.89Å; W114-Y176 HydrophobicContact CZ3-CG 3.89Å; W114-Y176 AromaticContact NE1-CD2 3.9Å; W114-Y176 AromaticContact NE1-CE2 3.79Å; L172-Y176 WeakPolarHBondContact O-CB 3.45Å; L172-Y176 PolarHBondContact O-N 3.35Å; L173-Y176 WeakPolarHBondContact O-CB 3.03Å; L173-Y176 PolarHBondContact O-N 3.11Å; E174-Y176 VanDerWaalsContact C-N 3.33Å; E174-Y176 PolarHBondContact O-N 2.68Å; Y176-Y179 PolarHBondContact O-N 3.09Å; Y176-N180 WeakPolarHBondContact CE1-ND2 3.36Å; Y176-N180 VanDerWaalsContact CE2-ND2 3.34Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.31Å; Y176-N180 VanDerWaalsContact O-CG 3.3Å; Y176-N180 PolarHBondContact O-N 2.86Å; Y176-N180 VanDerWaalsContact O-N 3.07Å; Y176-N180 PolarHBondContact O-ND2 3.49Å; Y176-N180 VanDerWaalsContact O-ND2 3.13Å; Y176-N180 PolarHBondContact OH-ND2 3.31Å |
| 177 | E | 98.2 | Very high | 97.7 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179.5 | -71.7 | -176.3 | 128.3 | 0 | 0 | 111.6 | K111 L173 E174 Y179 N180 K181 | K111-E177 VanDerWaalsContact CD-CD 3.42Å; K111-E177 HydrophobicContact CD-CG 3.96Å; K111-E177 WeakPolarHBondContact CD-OE1 3.1Å; K111-E177 WeakPolarHBondContact CE-OE1 3.42Å; K111-E177 IonicContact NZ-OE1 2.84Å; K111-E177 PolarHBondContact NZ-OE1 3Å; K111-E177 IonicContact NZ-OE2 2.65Å; K111-E177 PolarHBondContact NZ-OE2 2.67Å; L173-E177 PolarHBondContact O-N 3.07Å; E174-E177 PolarHBondContact O-N 2.76Å; E177-Y179 PolarHBondContact O-N 3Å; E177-N180 PolarHBondContact O-N 2.89Å; E177-K181 WeakPolarHBondContact O-CB 3.46Å; E177-K181 PolarHBondContact O-N 3.24Å |
| 178 | K | 98 | Very high | 97.9 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 177.1 | -178.2 | -173 | 172.8 | -160 | 0 | 111.3 | F159 E174 K181 M182 | F159-K178 PolarHBondContact O-NZ 3.49Å; E174-K178 WeakPolarHBondContact O-CB 3.35Å; E174-K178 PolarHBondContact O-N 2.78Å; K178-K181 PolarHBondContact O-N 3.27Å; K178-M182 WeakPolarHBondContact O-CB 3.48Å; K178-M182 PolarHBondContact O-N 3.38Å |
| 179 | Y | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 178.7 | 176 | -95.8 | 0 | 0 | 0 | 112.1 | A13 L15 C89 L106 A158 C175 Y176 E177 K181 M182 V183 | A13-Y179 WeakPolarHBondContact O-CE1 3.4Å; A13-Y179 PolarHBondContact O-OH 3.42Å; L15-Y179 HydrophobicContact CD1-CD1 3.45Å; L15-Y179 VanDerWaalsContact CD1-CD1 3.45Å; L15-Y179 HydrophobicContact CD1-CE1 4.05Å; L15-Y179 HydrophobicContact CD1-CG 3.98Å; L15-Y179 HydrophobicContact CD2-CD1 3.97Å; L15-Y179 HydrophobicContact CD2-CE1 3.88Å; L15-Y179 HydrophobicContact CD2-CG 4.31Å; L15-Y179 HydrophobicContact CG-CD1 3.51Å; L15-Y179 HydrophobicContact CG-CE1 3.54Å; L15-Y179 HydrophobicContact CG-CG 4.25Å; C89-Y179 PolarHBondContact O-OH 2.93Å; L106-Y179 HydrophobicContact CD1-CE1 4.41Å; A158-Y179 HydrophobicContact CB-CD2 4.03Å; A158-Y179 HydrophobicContact CB-CE2 3.77Å; A158-Y179 VanDerWaalsContact O-CD2 3.28Å; A158-Y179 WeakPolarHBondContact O-CD2 3.36Å; C175-Y179 VanDerWaalsContact O-CB 3.24Å; C175-Y179 WeakPolarHBondContact O-CB 2.97Å; C175-Y179 PolarHBondContact O-N 3.33Å; Y176-Y179 PolarHBondContact O-N 3.09Å; E177-Y179 PolarHBondContact O-N 3Å; Y179-K181 VanDerWaalsContact C-N 3.26Å; Y179-K181 PolarHBondContact O-N 3.39Å; Y179-M182 HydrophobicContact CD2-CE 3.82Å; Y179-M182 HydrophobicContact CE2-CE 4.28Å; Y179-M182 WeakPolarHBondContact O-CB 3.24Å; Y179-M182 PolarHBondContact O-N 2.94Å; Y179-M182 VanDerWaalsContact O-N 3.12Å; Y179-V183 HydrophobicContact CD1-CG2 4.23Å; Y179-V183 HydrophobicContact CE1-CG2 3.77Å; Y179-V183 HydrophobicContact CE2-CG2 4.09Å; Y179-V183 WeakPolarHBondContact O-CG2 3.23Å; Y179-V183 PolarHBondContact O-N 3.07Å |
| 180 | N | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | -179.4 | -70 | -31.4 | 0 | 0 | 0 | 111.9 | L106 Y176 E177 Q184 | L106-N180 HydrophobicContact CD2-CB 4.42Å; Y176-N180 WeakPolarHBondContact CE1-ND2 3.36Å; Y176-N180 VanDerWaalsContact CE2-ND2 3.34Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.31Å; Y176-N180 VanDerWaalsContact O-CG 3.3Å; Y176-N180 PolarHBondContact O-N 2.86Å; Y176-N180 VanDerWaalsContact O-N 3.07Å; Y176-N180 PolarHBondContact O-ND2 3.49Å; Y176-N180 VanDerWaalsContact O-ND2 3.13Å; Y176-N180 PolarHBondContact OH-ND2 3.31Å; E177-N180 PolarHBondContact O-N 2.89Å; N180-Q184 WeakPolarHBondContact O-CG 3.49Å; N180-Q184 PolarHBondContact O-N 3.34Å; N180-Q184 VanDerWaalsContact O-N 3.17Å; N180-Q184 PolarHBondContact O-NE2 2.71Å |
| 181 | K | 98.5 | Very high | 98 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 174.5 | -178.5 | 176.9 | 172.6 | -178.8 | 0 | 111.1 | E177 K178 Y179 V183 Q184 E185 | E177-K181 WeakPolarHBondContact O-CB 3.46Å; E177-K181 PolarHBondContact O-N 3.24Å; K178-K181 PolarHBondContact O-N 3.27Å; Y179-K181 VanDerWaalsContact C-N 3.26Å; Y179-K181 PolarHBondContact O-N 3.39Å; K181-V183 VanDerWaalsContact C-N 3.33Å; K181-V183 PolarHBondContact O-N 3.5Å; K181-Q184 PolarHBondContact O-N 2.93Å; K181-Q184 VanDerWaalsContact O-N 3.14Å; K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 HydrophobicContact CG-CG 4.33Å; K181-E185 IonicContact NZ-OE1 3.75Å; K181-E185 WeakPolarHBondContact O-CG 3.29Å; K181-E185 PolarHBondContact O-N 2.81Å |
| 182 | M | 98.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 178 | -179.9 | -179.4 | 61.9 | 0 | 0 | 112 | Y92 R93 A158 K178 Y179 E185 T186 | Y92-M182 HydrophobicContact CE1-CE 4.47Å; R93-M182 PolarHBondContact NH1-SD 3.42Å; A158-M182 WeakPolarHBondContact O-CE 3.27Å; K178-M182 WeakPolarHBondContact O-CB 3.48Å; K178-M182 PolarHBondContact O-N 3.38Å; Y179-M182 HydrophobicContact CD2-CE 3.82Å; Y179-M182 HydrophobicContact CE2-CE 4.28Å; Y179-M182 WeakPolarHBondContact O-CB 3.24Å; Y179-M182 PolarHBondContact O-N 2.94Å; Y179-M182 VanDerWaalsContact O-N 3.12Å; M182-E185 PolarHBondContact O-N 2.66Å; M182-T186 VanDerWaalsContact O-CB 3.26Å; M182-T186 WeakPolarHBondContact O-CB 3.49Å; M182-T186 PolarHBondContact O-N 2.67Å; M182-T186 PolarHBondContact O-OG1 2.9Å |
| 183 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | A13 Y92 L106 Y179 K181 E185 T186 V187 | A13-V183 HydrophobicContact CB-CG1 3.83Å; A13-V183 HydrophobicContact CB-CG2 4.33Å; Y92-V183 HydrophobicContact CD1-CG2 4.29Å; Y92-V183 HydrophobicContact CE1-CG2 3.87Å; Y92-V183 HydrophobicContact CE2-CG1 4.47Å; Y92-V183 HydrophobicContact CE2-CG2 4.36Å; L106-V183 HydrophobicContact CB-CG1 4.23Å; L106-V183 HydrophobicContact CD1-CB 4.28Å; L106-V183 HydrophobicContact CD1-CG1 4.1Å; L106-V183 HydrophobicContact CD1-CG2 4.37Å; L106-V183 HydrophobicContact CD2-CB 4.05Å; L106-V183 HydrophobicContact CD2-CG1 3.97Å; L106-V183 HydrophobicContact CG-CG1 4.31Å; Y179-V183 HydrophobicContact CD1-CG2 4.23Å; Y179-V183 HydrophobicContact CE1-CG2 3.77Å; Y179-V183 HydrophobicContact CE2-CG2 4.09Å; Y179-V183 WeakPolarHBondContact O-CG2 3.23Å; Y179-V183 PolarHBondContact O-N 3.07Å; K181-V183 VanDerWaalsContact C-N 3.33Å; K181-V183 PolarHBondContact O-N 3.5Å; V183-E185 VanDerWaalsContact C-N 3.29Å; V183-E185 PolarHBondContact O-N 3.11Å; V183-T186 PolarHBondContact O-N 3.45Å; V183-V187 HydrophobicContact CG1-CG2 3.96Å; V183-V187 VanDerWaalsContact O-CG2 3.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.32Å; V183-V187 PolarHBondContact O-N 2.95Å |
| 184 | Q | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -34 | 179 | -73.6 | 169.9 | 73.9 | 0 | 0 | 113.6 | L106 N180 K181 L192 I194 | L106-Q184 HydrophobicContact CD2-CG 3.85Å; N180-Q184 WeakPolarHBondContact O-CG 3.49Å; N180-Q184 PolarHBondContact O-N 3.34Å; N180-Q184 VanDerWaalsContact O-N 3.17Å; N180-Q184 PolarHBondContact O-NE2 2.71Å; K181-Q184 PolarHBondContact O-N 2.93Å; K181-Q184 VanDerWaalsContact O-N 3.14Å; Q184-L192 HydrophobicContact CB-CD2 4.39Å; Q184-L192 HydrophobicContact CG-CD2 4.12Å; Q184-I194 HydrophobicContact CG-CD1 3.88Å; Q184-I194 HydrophobicContact CG-CG1 4.24Å; Q184-I194 VanDerWaalsContact OE1-CD1 3.27Å |
| 185 | E | 98.3 | Very high | 98.3 | Very high | 139 Ų | 139 | 53.1 Ų | 53.1 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -79.7 | -28.6 | 177.9 | -71.2 | 176.3 | 161 | 0 | 0 | 112.8 | K181 M182 V183 | K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 HydrophobicContact CG-CG 4.33Å; K181-E185 IonicContact NZ-OE1 3.75Å; K181-E185 WeakPolarHBondContact O-CG 3.29Å; K181-E185 PolarHBondContact O-N 2.81Å; M182-E185 PolarHBondContact O-N 2.66Å; V183-E185 VanDerWaalsContact C-N 3.29Å; V183-E185 PolarHBondContact O-N 3.11Å |
| 186 | T | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -84.1 | -40.1 | -177.5 | -56 | 0 | 0 | 0 | 0 | 112.4 | Y92 R93 M182 V183 | Y92-T186 HydrophobicContact CE2-CG2 3.87Å; Y92-T186 WeakPolarHBondContact OH-CB 3.35Å; Y92-T186 PolarHBondContact OH-OG1 3.08Å; Y92-T186 VanDerWaalsContact OH-OG1 3.05Å; R93-T186 HydrophobicContact CG-CG2 3.93Å; M182-T186 VanDerWaalsContact O-CB 3.26Å; M182-T186 WeakPolarHBondContact O-CB 3.49Å; M182-T186 PolarHBondContact O-N 2.67Å; M182-T186 PolarHBondContact O-OG1 2.9Å; V183-T186 PolarHBondContact O-N 3.45Å |
| 187 | V | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -86.7 | 126.8 | -172.3 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | Y92 M96 V104 V183 S189 R191 L192 | Y92-V187 HydrophobicContact CD2-CG2 4.04Å; Y92-V187 HydrophobicContact CE2-CG2 3.87Å; M96-V187 HydrophobicContact CE-CB 4.47Å; M96-V187 HydrophobicContact CE-CG1 4.05Å; M96-V187 HydrophobicContact CE-CG2 4.36Å; M96-V187 HydrophobicContact SD-CG1 4.27Å; M96-V187 HydrophobicContact SD-CG2 3.81Å; V104-V187 HydrophobicContact CB-CG1 3.83Å; V104-V187 HydrophobicContact CB-CG2 4.47Å; V104-V187 HydrophobicContact CG1-CG1 4.35Å; V104-V187 HydrophobicContact CG1-CG2 4.12Å; V104-V187 HydrophobicContact CG2-CG1 3.8Å; V104-V187 HydrophobicContact CG2-CG2 4.45Å; V183-V187 HydrophobicContact CG1-CG2 3.96Å; V183-V187 VanDerWaalsContact O-CG2 3.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.32Å; V183-V187 PolarHBondContact O-N 2.95Å; V187-S189 PolarHBondContact O-N 3.18Å; V187-R191 HydrophobicContact CG1-CB 4.3Å; V187-L192 HydrophobicContact CB-CB 4.25Å; V187-L192 HydrophobicContact CB-CD1 4.23Å; V187-L192 HydrophobicContact CB-CD2 4.32Å; V187-L192 HydrophobicContact CB-CG 4.5Å; V187-L192 HydrophobicContact CG1-CB 3.79Å; V187-L192 HydrophobicContact CG1-CD1 4.17Å; V187-L192 HydrophobicContact CG1-CG 4.43Å |
| 188 | P | 98.3 | Very high | 97.6 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | trans | -55.5 | 134 | 174.2 | -24.4 | 33.7 | 0 | 0 | 0 | 111.7 | E190 R191 L192 | P188-E190 VanDerWaalsContact CB-CD 3.47Å; P188-E190 VanDerWaalsContact CB-OE1 3.25Å; P188-E190 WeakPolarHBondContact CB-OE1 3.35Å; P188-E190 WeakPolarHBondContact CB-OE2 3.31Å; P188-E190 PolarHBondContact O-N 3.47Å; P188-E190 VanDerWaalsContact O-N 3.14Å; P188-R191 CarbonylContact O-C 3.55Å; P188-R191 WeakPolarHBondContact O-CA 3.33Å; P188-R191 PolarHBondContact O-N 3.09Å; P188-L192 PolarHBondContact O-N 2.89Å | ||
| 189 | S | 97.7 | Very high | 97.5 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -56.7 | -33.8 | -171.7 | 59.3 | 0 | 0 | 0 | 0 | 114 | V187 R191 L192 | V187-S189 PolarHBondContact O-N 3.18Å; S189-R191 PolarHBondContact O-N 2.99Å; S189-L192 PolarHBondContact O-N 3.29Å |
| 190 | E | 97.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 62.2 Ų | 62.2 | 66% | 0.659 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -69.9 | -18.7 | 177.5 | 67.2 | -82.2 | -167.2 | 0 | 0 | 113.4 | P188 | P188-E190 VanDerWaalsContact CB-CD 3.47Å; P188-E190 VanDerWaalsContact CB-OE1 3.25Å; P188-E190 WeakPolarHBondContact CB-OE1 3.35Å; P188-E190 WeakPolarHBondContact CB-OE2 3.31Å; P188-E190 PolarHBondContact O-N 3.47Å; P188-E190 VanDerWaalsContact O-N 3.14Å |
| 191 | R | 97.7 | Very high | 97.4 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -103.8 | 1.4 | 174.9 | -70.8 | -177.6 | 65.3 | -172.1 | 1.7 | 112.7 | Y99 P100 A102 V104 V187 P188 S189 F207 | Y99-R191 PolarHBondContact O-NH2 2.75Å; P100-R191 PolarHBondContact O-NH1 3.44Å; P100-R191 PolarHBondContact O-NH2 2.91Å; A102-R191 PolarHBondContact O-NE 2.98Å; A102-R191 VanDerWaalsContact O-NE 3.14Å; A102-R191 PolarHBondContact O-NH2 3.14Å; V104-R191 PolarHBondContact N-O 2.95Å; V187-R191 HydrophobicContact CG1-CB 4.3Å; P188-R191 CarbonylContact O-C 3.55Å; P188-R191 WeakPolarHBondContact O-CA 3.33Å; P188-R191 PolarHBondContact O-N 3.09Å; S189-R191 PolarHBondContact O-N 2.99Å; R191-F207 WeakPolarHBondContact O-CZ 3.24Å |
| 192 | L | 98.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.5 | -173.9 | -176.9 | 63.3 | 0 | 0 | 0 | 112.1 | V104 L106 Q184 V187 P188 S189 I194 | V104-L192 HydrophobicContact CB-CD1 4.32Å; V104-L192 HydrophobicContact CG1-CD1 4.15Å; V104-L192 WeakPolarHBondContact O-CA 3.31Å; L106-L192 HydrophobicContact CB-CD1 4.11Å; Q184-L192 HydrophobicContact CB-CD2 4.39Å; Q184-L192 HydrophobicContact CG-CD2 4.12Å; V187-L192 HydrophobicContact CB-CB 4.25Å; V187-L192 HydrophobicContact CB-CD1 4.23Å; V187-L192 HydrophobicContact CB-CD2 4.32Å; V187-L192 HydrophobicContact CB-CG 4.5Å; V187-L192 HydrophobicContact CG1-CB 3.79Å; V187-L192 HydrophobicContact CG1-CD1 4.17Å; V187-L192 HydrophobicContact CG1-CG 4.43Å; P188-L192 PolarHBondContact O-N 2.89Å; S189-L192 PolarHBondContact O-N 3.29Å; L192-I194 HydrophobicContact CD2-CG1 4.39Å |
| 193 | L | 98.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.7 | 160.3 | 175.1 | 67.1 | 0 | 0 | 0 | 109.7 | V104 I105 L106 H195 P203 L204 F207 | V104-L193 PolarHBondContact O-N 3.32Å; I105-L193 WeakPolarHBondContact CA-O 3.38Å; I105-L193 HydrophobicContact CG1-CB 4.36Å; I105-L193 HydrophobicContact CG2-CD2 4.38Å; L106-L193 PolarHBondContact N-O 3.14Å; L193-H195 HydrophobicContact CD2-CB 4.19Å; L193-H195 HydrophobicContact CG-CB 4.22Å; L193-P203 HydrophobicContact CD1-CB 4.45Å; L193-L204 HydrophobicContact CD2-CD1 4.09Å; L193-F207 HydrophobicContact CB-CB 4.27Å; L193-F207 HydrophobicContact CB-CD1 3.42Å; L193-F207 VanDerWaalsContact CB-CD1 3.42Å; L193-F207 HydrophobicContact CB-CD2 3.99Å; L193-F207 HydrophobicContact CB-CE1 3.54Å; L193-F207 HydrophobicContact CB-CE2 4.13Å; L193-F207 HydrophobicContact CB-CG 3.63Å; L193-F207 HydrophobicContact CB-CZ 3.91Å; L193-F207 HydrophobicContact CD1-CB 4.29Å; L193-F207 HydrophobicContact CD1-CG 4.49Å; L193-F207 HydrophobicContact CD2-CB 3.94Å; L193-F207 HydrophobicContact CD2-CD1 3.84Å; L193-F207 HydrophobicContact CD2-CG 4.09Å; L193-F207 HydrophobicContact CG-CB 4.4Å; L193-F207 HydrophobicContact CG-CD1 4.21Å; L193-F207 HydrophobicContact CG-CG 4.28Å |
| 194 | I | 98.7 | Very high | 97.4 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 107.9 | 164.2 | -58 | 170.3 | 0 | 0 | 0 | 106.6 | V108 Q184 L192 | V108-I194 HydrophobicContact CG1-CG2 4.13Å; V108-I194 HydrophobicContact CG2-CG2 3.57Å; Q184-I194 HydrophobicContact CG-CD1 3.88Å; Q184-I194 HydrophobicContact CG-CG1 4.24Å; Q184-I194 VanDerWaalsContact OE1-CD1 3.27Å; L192-I194 HydrophobicContact CD2-CG1 4.39Å |
| 195 | H | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.5 | -174.9 | -164.3 | 69.4 | 0 | 0 | 0 | 109.9 | I105 L106 T107 V108 L193 G200 Y218 | I105-H195 HydrophobicContact CG2-CB 3.71Å; L106-H195 PolarHBondContact O-N 2.93Å; T107-H195 CarbonylContact C-O 3.52Å; T107-H195 VanDerWaalsContact CA-O 3.23Å; T107-H195 WeakPolarHBondContact CA-O 3.41Å; T107-H195 HydrophobicContact CG2-CB 4.34Å; V108-H195 PolarHBondContact N-O 2.98Å; L193-H195 HydrophobicContact CD2-CB 4.19Å; L193-H195 HydrophobicContact CG-CB 4.22Å; H195-G200 PolarHBondContact CE1-O 3.43Å; H195-G200 VanDerWaalsContact CE1-O 3.24Å; H195-Y218 AromaticContact NE2-CZ 3.65Å; H195-Y218 PolarHBondContact NE2-OH 3.18Å |
| 196 | K | 97.5 | Very high | 97.4 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 55% | 0.548 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 152.8 | 176.6 | -53.1 | 174.8 | -175.9 | 171.1 | 0 | 109.4 | V108 E198 D199 | V108-K196 HydrophobicContact CG2-CB 4.5Å; V108-K196 HydrophobicContact CG2-CG 3.91Å; K196-E198 PolarHBondContact O-N 3.4Å; K196-D199 PolarHBondContact N-OD2 2.99Å; K196-D199 VanDerWaalsContact O-CB 3.32Å; K196-D199 WeakPolarHBondContact O-CB 3.42Å; K196-D199 PolarHBondContact O-N 2.96Å |
| 197 | L | 89.5 | Confident | 97.4 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.5 | -177.8 | -168.2 | 63.9 | 0 | 0 | 0 | 114.2 | V108 | V108-L197 PolarHBondContact O-N 2.94Š|
| 198 | E | 91.2 | Very high | 97.4 | Very high | 159 Ų | 159 | 60.7 Ų | 60.7 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1 | -176.4 | -53.1 | -58.9 | 155.3 | 0 | 0 | 114.2 | K196 G200 | K196-E198 PolarHBondContact O-N 3.4Å; E198-G200 VanDerWaalsContact C-N 3.29Å; E198-G200 PolarHBondContact O-N 3.37Å |
| 199 | D | 96.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 65 Ų | 65 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | trans | -69.8 | -23.8 | -170.5 | -83.2 | -4.4 | 0 | 0 | 0 | 113.4 | K196 P203 | K196-D199 PolarHBondContact N-OD2 2.99Å; K196-D199 VanDerWaalsContact O-CB 3.32Å; K196-D199 WeakPolarHBondContact O-CB 3.42Å; K196-D199 PolarHBondContact O-N 2.96Å; D199-P203 HydrophobicContact CB-CG 3.64Å; D199-P203 VanDerWaalsContact O-CD 3.25Å; D199-P203 WeakPolarHBondContact O-CD 3.31Å | ||
| 200 | G | 96.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | 65.3 | -148.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H195 E198 Y218 | H195-G200 PolarHBondContact CE1-O 3.43Å; H195-G200 VanDerWaalsContact CE1-O 3.24Å; E198-G200 VanDerWaalsContact C-N 3.29Å; E198-G200 PolarHBondContact O-N 3.37Å; G200-Y218 WeakPolarHBondContact O-CD2 3.3Å; G200-Y218 WeakPolarHBondContact O-CE2 3.49Å | ||
| 201 | W | 98.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.9 | -39.5 | -173.7 | -73.2 | 124.1 | 0 | 0 | 0 | 114.7 | A26 I29 I30 L204 C205 I212 P213 I216 Y218 | A26-W201 HydrophobicContact CB-CH2 3.75Å; A26-W201 HydrophobicContact CB-CZ3 3.65Å; I29-W201 HydrophobicContact CB-CH2 4.13Å; I29-W201 HydrophobicContact CD1-CH2 4.1Å; I29-W201 HydrophobicContact CD1-CZ2 4.2Å; I29-W201 HydrophobicContact CG2-CH2 4.03Å; I29-W201 HydrophobicContact CG2-CZ2 4.4Å; I30-W201 HydrophobicContact CD1-CE3 4.32Å; I30-W201 HydrophobicContact CD1-CZ3 3.77Å; I30-W201 HydrophobicContact CG1-CZ3 3.9Å; W201-L204 HydrophobicContact CE3-CD2 4.28Å; W201-L204 HydrophobicContact CZ3-CD2 4.27Å; W201-L204 PolarHBondContact O-N 3.45Å; W201-C205 WeakPolarHBondContact O-CB 3.44Å; W201-C205 PolarHBondContact O-N 3.3Å; W201-C205 PolarHBondContact O-SG 2.88Å; W201-I212 HydrophobicContact CB-CD1 4.46Å; W201-I212 HydrophobicContact CB-CG1 4.2Å; W201-I212 HydrophobicContact CB-CG2 3.76Å; W201-I212 HydrophobicContact CG-CG2 4Å; W201-P213 HydrophobicContact CD2-CG 4.34Å; W201-P213 HydrophobicContact CE3-CG 4.27Å; W201-P213 HydrophobicContact CH2-CG 3.87Å; W201-P213 HydrophobicContact CZ2-CB 4.46Å; W201-P213 HydrophobicContact CZ2-CG 3.94Å; W201-P213 HydrophobicContact CZ3-CG 4.04Å; W201-I216 HydrophobicContact CZ2-CG2 4.35Å; W201-I216 PolarHBondContact NE1-O 3.14Å; W201-Y218 AromaticContact CD2-CD2 3.66Å; W201-Y218 HydrophobicContact CD2-CD2 3.66Å; W201-Y218 AromaticContact CE2-CD2 3.97Å; W201-Y218 AromaticContact CE3-CD2 3.81Å; W201-Y218 HydrophobicContact CE3-CD2 3.81Å; W201-Y218 HydrophobicContact CE3-CE2 4.22Å; W201-Y218 HydrophobicContact CG-CD2 4.06Å; W201-Y218 HydrophobicContact CH2-CD2 4.5Å; W201-Y218 HydrophobicContact CZ2-CD2 4.38Å; W201-Y218 HydrophobicContact CZ3-CD2 4.22Å; W201-Y218 HydrophobicContact CZ3-CE2 4.43Å; W201-Y218 VanDerWaalsContact NE1-N 3.16Å |
| 202 | E | 98 | Very high | 97.5 | Very high | 146 Ų | 146 | 62.4 Ų | 62.4 | 68% | 0.682 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.9 | -58.2 | -166.6 | -71.4 | -177.3 | 171.5 | 0 | 0 | 113.8 | L204 C205 Q206 I212 | E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.9Å; E202-C205 PolarHBondContact O-N 2.81Å; E202-Q206 VanDerWaalsContact O-CB 3.28Å; E202-Q206 WeakPolarHBondContact O-CB 3.28Å; E202-Q206 PolarHBondContact O-N 3.05Å; E202-I212 HydrophobicContact CB-CD1 4.45Å; E202-I212 HydrophobicContact CG-CD1 3.75Å |
| 203 | P | 98.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | -179.5 | 25 | -32.9 | 0 | 0 | 0 | 112.5 | L193 D199 F207 | L193-P203 HydrophobicContact CD1-CB 4.45Å; D199-P203 HydrophobicContact CB-CG 3.64Å; D199-P203 VanDerWaalsContact O-CD 3.25Å; D199-P203 WeakPolarHBondContact O-CD 3.31Å; P203-F207 WeakPolarHBondContact O-CB 3.5Å; P203-F207 PolarHBondContact O-N 3.27Å |
| 204 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -53.1 | 177.4 | 178.3 | 62.4 | 0 | 0 | 0 | 111.4 | L23 A26 I30 I105 L193 W201 E202 F207 L208 Y218 | L23-L204 HydrophobicContact CD1-CD1 4.05Å; L23-L204 HydrophobicContact CD1-CD2 4.1Å; A26-L204 HydrophobicContact CB-CD2 3.97Å; I30-L204 HydrophobicContact CD1-CD2 3.98Å; I30-L204 HydrophobicContact CD1-CG 4.21Å; I105-L204 HydrophobicContact CD1-CD1 3.42Å; I105-L204 VanDerWaalsContact CD1-CD1 3.42Å; L193-L204 HydrophobicContact CD2-CD1 4.09Å; W201-L204 HydrophobicContact CE3-CD2 4.28Å; W201-L204 HydrophobicContact CZ3-CD2 4.27Å; W201-L204 PolarHBondContact O-N 3.45Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.9Å; L204-F207 PolarHBondContact O-N 2.94Å; L204-L208 HydrophobicContact CD1-CD1 3.68Å; L204-L208 HydrophobicContact CD1-CG 4.11Å; L204-L208 HydrophobicContact CG-CD1 4.04Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 2.86Å; L204-Y218 HydrophobicContact CD2-CE2 3.86Å |
| 205 | C | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.014 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | -178 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | W201 E202 L208 N209 V210 I212 | W201-C205 WeakPolarHBondContact O-CB 3.44Å; W201-C205 PolarHBondContact O-N 3.3Å; W201-C205 PolarHBondContact O-SG 2.88Å; E202-C205 PolarHBondContact O-N 2.81Å; C205-L208 PolarHBondContact O-N 2.77Å; C205-N209 WeakPolarHBondContact O-CA 3.21Å; C205-N209 PolarHBondContact O-N 3.11Å; C205-V210 HydrophobicContact CB-CG2 4.01Å; C205-V210 PolarHBondContact O-N 3.48Å; C205-I212 HydrophobicContact CB-CG1 3.73Å |
| 206 | Q | 98.5 | Very high | 97.2 | Very high | 163 Ų | 163 | 73.8 Ų | 73.8 | 76% | 0.762 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.5 | -49.4 | 173.1 | -179.1 | 179.6 | 0.7 | 0 | 0 | 111.1 | E202 L208 N209 | E202-Q206 VanDerWaalsContact O-CB 3.28Å; E202-Q206 WeakPolarHBondContact O-CB 3.28Å; E202-Q206 PolarHBondContact O-N 3.05Å; Q206-L208 PolarHBondContact O-N 3.36Å; Q206-N209 PolarHBondContact O-N 3.31Å |
| 207 | F | 98.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 71.9 Ų | 71.9 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 179.6 | 174.1 | -112.9 | 0 | 0 | 0 | 112.1 | K103 I105 R191 L193 P203 L204 N209 | K103-F207 HydrophobicContact CB-CE1 3.64Å; K103-F207 HydrophobicContact CB-CZ 3.78Å; K103-F207 HydrophobicContact CD-CD1 4.29Å; K103-F207 HydrophobicContact CD-CE1 3.93Å; K103-F207 HydrophobicContact CD-CE2 4.49Å; K103-F207 HydrophobicContact CD-CZ 4.03Å; K103-F207 WeakPolarHBondContact CE-O 3.22Å; K103-F207 HydrophobicContact CG-CE1 4.16Å; K103-F207 HydrophobicContact CG-CZ 4.02Å; K103-F207 PolarHBondContact NZ-O 3.1Å; I105-F207 HydrophobicContact CG1-CD1 4.35Å; I105-F207 HydrophobicContact CG1-CE1 3.96Å; R191-F207 WeakPolarHBondContact O-CZ 3.24Å; L193-F207 HydrophobicContact CB-CB 4.27Å; L193-F207 HydrophobicContact CB-CD1 3.42Å; L193-F207 VanDerWaalsContact CB-CD1 3.42Å; L193-F207 HydrophobicContact CB-CD2 3.99Å; L193-F207 HydrophobicContact CB-CE1 3.54Å; L193-F207 HydrophobicContact CB-CE2 4.13Å; L193-F207 HydrophobicContact CB-CG 3.63Å; L193-F207 HydrophobicContact CB-CZ 3.91Å; L193-F207 HydrophobicContact CD1-CB 4.29Å; L193-F207 HydrophobicContact CD1-CG 4.49Å; L193-F207 HydrophobicContact CD2-CB 3.94Å; L193-F207 HydrophobicContact CD2-CD1 3.84Å; L193-F207 HydrophobicContact CD2-CG 4.09Å; L193-F207 HydrophobicContact CG-CB 4.4Å; L193-F207 HydrophobicContact CG-CD1 4.21Å; L193-F207 HydrophobicContact CG-CG 4.28Å; P203-F207 WeakPolarHBondContact O-CB 3.5Å; P203-F207 PolarHBondContact O-N 3.27Å; L204-F207 PolarHBondContact O-N 2.94Å; F207-N209 PolarHBondContact O-N 3.16Å |
| 208 | L | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.5 | -13.6 | 178.5 | -66.4 | 179.9 | 0 | 0 | 0 | 113.3 | V10 L27 I30 Y31 K103 I105 L204 C205 Q206 V210 | V10-L208 HydrophobicContact CG2-CD2 3.69Å; L27-L208 HydrophobicContact CD2-CD1 3.75Å; I30-L208 HydrophobicContact CD1-CD1 3.94Å; Y31-L208 HydrophobicContact CE2-CD1 4.29Å; K103-L208 HydrophobicContact CB-CD2 4.33Å; K103-L208 HydrophobicContact CD-CD2 3.86Å; K103-L208 PolarHBondContact NZ-O 3.49Å; I105-L208 HydrophobicContact CD1-CD2 4.41Å; L204-L208 HydrophobicContact CD1-CD1 3.68Å; L204-L208 HydrophobicContact CD1-CG 4.11Å; L204-L208 HydrophobicContact CG-CD1 4.04Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 2.86Å; C205-L208 PolarHBondContact O-N 2.77Å; Q206-L208 PolarHBondContact O-N 3.36Å; L208-V210 HydrophobicContact CB-CG1 4.37Å; L208-V210 HydrophobicContact CB-CG2 4.02Å |
| 209 | N | 97.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 64.8 Ų | 64.8 | 75% | 0.754 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 52.1 | -174 | -171.1 | 52.4 | 0 | 0 | 0 | 112.2 | C205 Q206 F207 | C205-N209 WeakPolarHBondContact O-CA 3.21Å; C205-N209 PolarHBondContact O-N 3.11Å; Q206-N209 PolarHBondContact O-N 3.31Å; F207-N209 PolarHBondContact O-N 3.16Å |
| 210 | V | 98.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 68.1 Ų | 68.1 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | trans | -131.6 | 162.1 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | I30 C205 L208 | I30-V210 HydrophobicContact CD1-CG2 4.29Å; I30-V210 HydrophobicContact CG1-CG2 4.45Å; I30-V210 HydrophobicContact CG2-CB 4.33Å; I30-V210 HydrophobicContact CG2-CG1 4.14Å; I30-V210 HydrophobicContact CG2-CG2 3.87Å; C205-V210 HydrophobicContact CB-CG2 4.01Å; C205-V210 PolarHBondContact O-N 3.48Å; L208-V210 HydrophobicContact CB-CG1 4.37Å; L208-V210 HydrophobicContact CB-CG2 4.02Å | ||
| 211 | T | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 144.1 | 174.1 | -47.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 212 | I | 98.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 35% | 0.349 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 132.7 | 169.9 | -64.6 | 173.9 | 0 | 0 | 0 | 108.9 | W201 E202 C205 D214 | W201-I212 HydrophobicContact CB-CD1 4.46Å; W201-I212 HydrophobicContact CB-CG1 4.2Å; W201-I212 HydrophobicContact CB-CG2 3.76Å; W201-I212 HydrophobicContact CG-CG2 4Å; E202-I212 HydrophobicContact CB-CD1 4.45Å; E202-I212 HydrophobicContact CG-CD1 3.75Å; C205-I212 HydrophobicContact CB-CG1 3.73Å; I212-D214 PolarHBondContact O-N 3.09Å |
| 213 | P | 98.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -60 | 123.9 | 176.1 | -25.7 | 36 | 0 | 0 | 0 | 112.6 | I29 W201 G215 I216 | I29-P213 HydrophobicContact CG2-CB 3.97Å; I29-P213 HydrophobicContact CG2-CG 3.72Å; W201-P213 HydrophobicContact CD2-CG 4.34Å; W201-P213 HydrophobicContact CE3-CG 4.27Å; W201-P213 HydrophobicContact CH2-CG 3.87Å; W201-P213 HydrophobicContact CZ2-CB 4.46Å; W201-P213 HydrophobicContact CZ2-CG 3.94Å; W201-P213 HydrophobicContact CZ3-CG 4.04Å; P213-G215 PolarHBondContact O-N 3.38Å; P213-I216 HydrophobicContact CB-CB 4.19Å; P213-I216 HydrophobicContact CB-CD1 4.17Å |
| 214 | D | 97 | Very high | 96.4 | Very high | 152 Ų | 152 | 66.3 Ų | 66.3 | 81% | 0.813 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 129 | -178.4 | -73.3 | -32.7 | 0 | 0 | 0 | 111.9 | I212 I216 | I212-D214 PolarHBondContact O-N 3.09Å; D214-I216 PolarHBondContact O-N 3.38Å; D214-I216 VanDerWaalsContact O-N 3.16Å |
| 215 | G | 96.4 | Very high | 95.9 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 97% | 0.969 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 6.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | P213 | P213-G215 PolarHBondContact O-N 3.38Š|
| 216 | I | 97.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 74.1 Ų | 74.1 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | trans | -110.4 | 119 | -179.5 | -61.2 | 167.6 | 0 | 0 | 0 | 108.8 | I29 W201 P213 D214 | I29-I216 HydrophobicContact CD1-CG2 4.17Å; I29-I216 HydrophobicContact CG2-CD1 4.33Å; W201-I216 HydrophobicContact CZ2-CG2 4.35Å; W201-I216 PolarHBondContact NE1-O 3.14Å; P213-I216 HydrophobicContact CB-CB 4.19Å; P213-I216 HydrophobicContact CB-CD1 4.17Å; D214-I216 PolarHBondContact O-N 3.38Å; D214-I216 VanDerWaalsContact O-N 3.16Å | ||
| 217 | A | 97.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 72% | 0.719 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66 | 151.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 218 | Y | 98 | Very high | 94.6 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 16% | 0.161 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 132.8 | 175.1 | -173.4 | -91.4 | 0 | 0 | 0 | 109.8 | A26 H195 G200 W201 L204 H220 | A26-Y218 HydrophobicContact CB-CD2 4.32Å; A26-Y218 HydrophobicContact CB-CE2 3.63Å; H195-Y218 AromaticContact NE2-CZ 3.65Å; H195-Y218 PolarHBondContact NE2-OH 3.18Å; G200-Y218 WeakPolarHBondContact O-CD2 3.3Å; G200-Y218 WeakPolarHBondContact O-CE2 3.49Å; W201-Y218 AromaticContact CD2-CD2 3.66Å; W201-Y218 HydrophobicContact CD2-CD2 3.66Å; W201-Y218 AromaticContact CE2-CD2 3.97Å; W201-Y218 AromaticContact CE3-CD2 3.81Å; W201-Y218 HydrophobicContact CE3-CD2 3.81Å; W201-Y218 HydrophobicContact CE3-CE2 4.22Å; W201-Y218 HydrophobicContact CG-CD2 4.06Å; W201-Y218 HydrophobicContact CH2-CD2 4.5Å; W201-Y218 HydrophobicContact CZ2-CD2 4.38Å; W201-Y218 HydrophobicContact CZ3-CD2 4.22Å; W201-Y218 HydrophobicContact CZ3-CE2 4.43Å; W201-Y218 VanDerWaalsContact NE1-N 3.16Å; L204-Y218 HydrophobicContact CD2-CE2 3.86Å; Y218-H220 PolarHBondContact O-N 3.41Å |
| 219 | P | 96.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 75.2 Ų | 75.2 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 126.5 | -177.8 | -27.5 | 36.1 | 0 | 0 | 0 | 112.5 | S22 E25 A26 I29 | S22-P219 WeakPolarHBondContact CB-O 3.12Å; S22-P219 PolarHBondContact OG-O 2.9Å; E25-P219 HydrophobicContact CB-CB 3.82Å; E25-P219 HydrophobicContact CB-CG 3.83Å; A26-P219 HydrophobicContact CB-CG 4.31Å; I29-P219 HydrophobicContact CD1-CG 3.72Å |
| 220 | H | 94.2 | Very high | 93.6 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | trans | -123.6 | 88.5 | 173.2 | -177.5 | -100.3 | 0 | 0 | 0 | 109.2 | Y218 T223 | Y218-H220 PolarHBondContact O-N 3.41Å; H220-T223 VanDerWaalsContact CE1-CG2 3.47Å; H220-T223 WeakPolarHBondContact CE1-CG2 3.5Å | ||
| 221 | V | 93.9 | Very high | 93 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | trans | -130.5 | 173.5 | -167.8 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | K21 S22 E25 T223 | K21-V221 HydrophobicContact CB-CG2 4.46Å; K21-V221 HydrophobicContact CG-CG2 3.93Å; S22-V221 PolarHBondContact OG-N 3.33Å; E25-V221 WeakPolarHBondContact OE1-CG2 3.46Å; E25-V221 WeakPolarHBondContact OE2-CG1 3.37Å; V221-T223 PolarHBondContact O-N 3.2Å | ||
| 222 | N | 91.7 | Very high | 92.4 | Very high | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 57.7 | 34.8 | 179 | -162.2 | 15.8 | 0 | 0 | 0 | 112.3 | R17 K21 I227 F247 | R17-N222 VanDerWaalsContact CZ-O 3.23Å; R17-N222 PolarHBondContact NH1-ND2 2.71Å; R17-N222 PolarHBondContact NH1-O 2.8Å; R17-N222 PolarHBondContact NH1-OD1 2.85Å; R17-N222 VanDerWaalsContact NH1-OD1 3.08Å; R17-N222 PolarHBondContact NH2-O 3.2Å; K21-N222 HydrophobicContact CB-CB 3.7Å; K21-N222 HydrophobicContact CG-CB 3.67Å; N222-I227 WeakPolarHBondContact OD1-CD1 3.45Å; N222-I227 WeakPolarHBondContact OD1-CG1 3.25Å; N222-F247 HydrophobicContact CB-CE1 4.23Å |
| 223 | T | 90.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | trans | -63.6 | 166.8 | 178.7 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | H220 V221 D225 Q226 I227 | H220-T223 VanDerWaalsContact CE1-CG2 3.47Å; H220-T223 WeakPolarHBondContact CE1-CG2 3.5Å; V221-T223 PolarHBondContact O-N 3.2Å; T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 2.72Å; T223-Q226 PolarHBondContact O-N 2.9Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.35Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; T223-Q226 PolarHBondContact OG1-OE1 3.34Å; T223-I227 PolarHBondContact O-N 3.07Å | ||
| 224 | R | 87.9 | Confident | 91.3 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 177.7 | -176.9 | -178.7 | -61.4 | -175 | 0.8 | 111.3 | S116 H120 I227 K228 | S116-R224 PolarHBondContact O-NH2 3.11Å; S116-R224 PolarHBondContact OG-NH1 2.71Å; S116-R224 PolarHBondContact OG-NH2 3.44Å; H120-R224 HydrophobicContact CB-CG 4.35Å; R224-I227 PolarHBondContact O-N 2.91Å; R224-K228 WeakPolarHBondContact O-CB 3.36Å; R224-K228 PolarHBondContact O-N 3.22Å |
| 225 | D | 88.9 | Confident | 90.4 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.4 | -42.8 | -178.1 | -63.7 | -26 | 0 | 0 | 0 | 110.8 | T223 I227 K228 E229 | T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 2.72Å; D225-I227 PolarHBondContact O-N 3.49Å; D225-K228 PolarHBondContact O-N 3.4Å; D225-E229 WeakPolarHBondContact O-CB 3.29Å; D225-E229 PolarHBondContact O-N 3.32Å |
| 226 | Q | 91.5 | Very high | 89.7 | Confident | 49 Ų | 49 | 61 Ų | 61 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 173.1 | -74.6 | 174.6 | -47.4 | 0 | 0 | 112.2 | T223 E229 L230 I246 F247 | T223-Q226 PolarHBondContact O-N 2.9Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.35Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; T223-Q226 PolarHBondContact OG1-OE1 3.34Å; Q226-E229 PolarHBondContact O-N 3.36Å; Q226-L230 VanDerWaalsContact O-CB 3.23Å; Q226-L230 WeakPolarHBondContact O-CB 3.36Å; Q226-L230 PolarHBondContact O-N 3.14Å; Q226-I246 HydrophobicContact CB-CG2 3.99Å; Q226-I246 HydrophobicContact CG-CG2 4.08Å; Q226-F247 HydrophobicContact CB-CE2 3.97Å; Q226-F247 HydrophobicContact CB-CZ 4Å |
| 227 | I | 89.5 | Confident | 89 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 9% | 0.087 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.7 | -77 | -61.2 | 0 | 0 | 0 | 111.6 | Y130 N222 T223 R224 D225 L230 M231 F247 | Y130-I227 WeakPolarHBondContact OH-CG2 3.37Å; N222-I227 WeakPolarHBondContact OD1-CD1 3.45Å; N222-I227 WeakPolarHBondContact OD1-CG1 3.25Å; T223-I227 PolarHBondContact O-N 3.07Å; R224-I227 PolarHBondContact O-N 2.91Å; D225-I227 PolarHBondContact O-N 3.49Å; I227-L230 HydrophobicContact CD1-CD2 4.42Å; I227-L230 PolarHBondContact O-N 3.34Å; I227-M231 HydrophobicContact CG2-CG 4.39Å; I227-M231 WeakPolarHBondContact O-CB 3.45Å; I227-M231 WeakPolarHBondContact O-CG 3.25Å; I227-M231 PolarHBondContact O-N 2.99Å; I227-F247 HydrophobicContact CD1-CZ 3.93Å; I227-F247 HydrophobicContact CG1-CZ 4.49Å |
| 228 | K | 86.2 | Confident | 88.3 | Confident | 111 Ų | 111 | 59 Ų | 59 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 179 | -178.9 | -175.2 | 170.6 | -168.8 | 0 | 110.6 | R224 D225 M231 E232 | R224-K228 WeakPolarHBondContact O-CB 3.36Å; R224-K228 PolarHBondContact O-N 3.22Å; D225-K228 PolarHBondContact O-N 3.4Å; K228-M231 PolarHBondContact O-N 3.29Å; K228-E232 WeakPolarHBondContact CE-OE1 3.34Å; K228-E232 WeakPolarHBondContact O-CG 3.32Å; K228-E232 PolarHBondContact O-N 3.15Å |
| 229 | E | 88.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 178.9 | -166.6 | -179.7 | -176.1 | 0 | 0 | 111.5 | D225 Q226 M231 E232 L233 I246 | D225-E229 WeakPolarHBondContact O-CB 3.29Å; D225-E229 PolarHBondContact O-N 3.32Å; Q226-E229 PolarHBondContact O-N 3.36Å; E229-M231 PolarHBondContact O-N 2.77Å; E229-E232 PolarHBondContact O-N 3.44Å; E229-L233 WeakPolarHBondContact O-CG 3.34Å; E229-L233 PolarHBondContact O-N 2.95Å; E229-I246 HydrophobicContact CB-CD1 3.89Å; E229-I246 VanDerWaalsContact CD-CD1 3.43Å; E229-I246 HydrophobicContact CG-CD1 3.42Å; E229-I246 VanDerWaalsContact CG-CD1 3.42Å |
| 230 | L | 88 | Confident | 86.9 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.5 | -49.2 | 174.8 | 177.9 | 73.3 | 0 | 0 | 0 | 111.5 | Q226 I227 E232 L233 I234 L243 F247 F250 | Q226-L230 VanDerWaalsContact O-CB 3.23Å; Q226-L230 WeakPolarHBondContact O-CB 3.36Å; Q226-L230 PolarHBondContact O-N 3.14Å; I227-L230 HydrophobicContact CD1-CD2 4.42Å; I227-L230 PolarHBondContact O-N 3.34Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 3.4Å; L230-L233 PolarHBondContact O-N 3.28Å; L230-I234 HydrophobicContact CD1-CD1 3.92Å; L230-I234 HydrophobicContact CD1-CG1 4.28Å; L230-I234 HydrophobicContact CD2-CD1 4.26Å; L230-I234 HydrophobicContact CG-CD1 3.7Å; L230-I234 HydrophobicContact CG-CG1 4.39Å; L230-I234 VanDerWaalsContact O-CG1 3.25Å; L230-I234 WeakPolarHBondContact O-CG1 3.34Å; L230-I234 PolarHBondContact O-N 3.43Å; L230-L243 HydrophobicContact CD1-CB 4.42Å; L230-L243 HydrophobicContact CD1-CD2 3.77Å; L230-F247 HydrophobicContact CB-CD2 3.99Å; L230-F247 HydrophobicContact CB-CE2 3.71Å; L230-F247 HydrophobicContact CD1-CD2 3.76Å; L230-F247 HydrophobicContact CD1-CE2 4.33Å; L230-F247 HydrophobicContact CD2-CD2 3.72Å; L230-F247 HydrophobicContact CD2-CE2 3.63Å; L230-F247 HydrophobicContact CD2-CG 4.4Å; L230-F247 HydrophobicContact CD2-CZ 4.25Å; L230-F247 HydrophobicContact CG-CD2 4.01Å; L230-F247 HydrophobicContact CG-CE2 4.07Å; L230-F250 HydrophobicContact CD1-CD2 4.15Å; L230-F250 HydrophobicContact CD1-CE2 3.76Å; L230-F250 HydrophobicContact CD1-CZ 4Å; L230-F250 HydrophobicContact CD2-CE2 3.9Å; L230-F250 HydrophobicContact CD2-CZ 4.01Å; L230-F250 HydrophobicContact CG-CE2 4.48Å |
| 231 | M | 85.1 | Confident | 86.5 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -34.8 | -179.6 | -66.1 | -66.3 | 157.7 | 0 | 0 | 112.3 | Y130 L134 A137 I227 K228 E229 G235 | Y130-M231 WeakPolarHBondContact OH-CG 3.35Å; L134-M231 HydrophobicContact CD1-CE 3.98Å; L134-M231 HydrophobicContact CD1-SD 3.79Å; A137-M231 HydrophobicContact CB-SD 3.55Å; A137-M231 VanDerWaalsContact CB-SD 3.55Å; I227-M231 HydrophobicContact CG2-CG 4.39Å; I227-M231 WeakPolarHBondContact O-CB 3.45Å; I227-M231 WeakPolarHBondContact O-CG 3.25Å; I227-M231 PolarHBondContact O-N 2.99Å; K228-M231 PolarHBondContact O-N 3.29Å; E229-M231 PolarHBondContact O-N 2.77Å; M231-G235 PolarHBondContact O-N 2.99Å |
| 232 | E | 84.3 | Confident | 86.2 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 173.8 | -76 | -179 | -166.5 | 0 | 0 | 112.2 | K228 E229 L230 K236 | K228-E232 WeakPolarHBondContact CE-OE1 3.34Å; K228-E232 WeakPolarHBondContact O-CG 3.32Å; K228-E232 PolarHBondContact O-N 3.15Å; E229-E232 PolarHBondContact O-N 3.44Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 3.4Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.29Å; E232-K236 PolarHBondContact O-N 2.96Å |
| 233 | L | 87.9 | Confident | 85.9 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -47.2 | 177 | -72.9 | -177.6 | 0 | 0 | 0 | 112.1 | E229 L230 G235 K236 N237 A238 D242 L243 I246 | E229-L233 WeakPolarHBondContact O-CG 3.34Å; E229-L233 PolarHBondContact O-N 2.95Å; L230-L233 PolarHBondContact O-N 3.28Å; L233-G235 VanDerWaalsContact C-N 3.3Å; L233-G235 PolarHBondContact O-N 3.26Å; L233-K236 CarbonylContact O-C 3.54Å; L233-K236 PolarHBondContact O-N 3.05Å; L233-N237 PolarHBondContact O-N 3.34Å; L233-A238 HydrophobicContact CB-CB 3.73Å; L233-A238 HydrophobicContact CD2-CB 3.96Å; L233-A238 HydrophobicContact CG-CB 4.35Å; L233-A238 VanDerWaalsContact O-CB 3.29Å; L233-A238 WeakPolarHBondContact O-CB 3.46Å; L233-A238 PolarHBondContact O-N 3.38Å; L233-D242 HydrophobicContact CD1-CB 4.34Å; L233-L243 HydrophobicContact CB-CD2 3.41Å; L233-L243 VanDerWaalsContact CB-CD2 3.41Å; L233-L243 HydrophobicContact CD1-CD2 4.08Å; L233-L243 HydrophobicContact CG-CD2 4.42Å; L233-I246 HydrophobicContact CD1-CD1 3.45Å; L233-I246 VanDerWaalsContact CD1-CD1 3.45Å; L233-I246 HydrophobicContact CD1-CG1 4.37Å; L233-I246 HydrophobicContact CG-CD1 4.49Å |
| 234 | I | 85.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.7 | -64.3 | 166.4 | 0 | 0 | 0 | 110 | A137 A140 L141 L230 K236 N237 L243 F250 F255 | A137-I234 HydrophobicContact CB-CB 4.16Å; A137-I234 HydrophobicContact CB-CG2 3.75Å; A140-I234 HydrophobicContact CB-CG2 3.83Å; L141-I234 HydrophobicContact CD1-CD1 3.94Å; L141-I234 HydrophobicContact CG-CD1 4.46Å; L141-I234 HydrophobicContact CG-CG2 4.15Å; L230-I234 HydrophobicContact CD1-CD1 3.92Å; L230-I234 HydrophobicContact CD1-CG1 4.28Å; L230-I234 HydrophobicContact CD2-CD1 4.26Å; L230-I234 HydrophobicContact CG-CD1 3.7Å; L230-I234 HydrophobicContact CG-CG1 4.39Å; L230-I234 VanDerWaalsContact O-CG1 3.25Å; L230-I234 WeakPolarHBondContact O-CG1 3.34Å; L230-I234 PolarHBondContact O-N 3.43Å; I234-K236 PolarHBondContact O-N 3.05Å; I234-K236 VanDerWaalsContact O-N 3.15Å; I234-N237 PolarHBondContact O-N 3.25Å; I234-L243 HydrophobicContact CG1-CD1 4.04Å; I234-L243 HydrophobicContact CG1-CD2 3.78Å; I234-F250 HydrophobicContact CD1-CE1 4.42Å; I234-F250 HydrophobicContact CD1-CZ 4.45Å; I234-F255 HydrophobicContact CG1-CE1 4.32Å; I234-F255 HydrophobicContact CG2-CE1 4.39Å |
| 235 | G | 78.1 | Confident | 85.7 | Confident | 41 Ų | 41 | 63 Ų | 63 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -19.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M231 L233 | M231-G235 PolarHBondContact O-N 2.99Å; L233-G235 VanDerWaalsContact C-N 3.3Å; L233-G235 PolarHBondContact O-N 3.26Å |
| 236 | K | 82.7 | Confident | 85.6 | Confident | 153 Ų | 153 | 58.6 Ų | 58.6 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 2.2 | 172.9 | -70.9 | 173.7 | -173.5 | 169.8 | 0 | 113.2 | E232 L233 I234 A238 | E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.29Å; E232-K236 PolarHBondContact O-N 2.96Å; L233-K236 CarbonylContact O-C 3.54Å; L233-K236 PolarHBondContact O-N 3.05Å; I234-K236 PolarHBondContact O-N 3.05Å; I234-K236 VanDerWaalsContact O-N 3.15Å; K236-A238 VanDerWaalsContact C-N 3.28Å; K236-A238 PolarHBondContact O-N 2.98Å |
| 237 | N | 81 | Confident | 85.3 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 44.9 | -169.6 | -54.7 | -50.9 | 0 | 0 | 0 | 112 | L233 I234 | L233-N237 PolarHBondContact O-N 3.34Å; I234-N237 PolarHBondContact O-N 3.25Å |
| 238 | A | 83.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | trans | -57.5 | 158.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L233 K236 D242 L243 | L233-A238 HydrophobicContact CB-CB 3.73Å; L233-A238 HydrophobicContact CD2-CB 3.96Å; L233-A238 HydrophobicContact CG-CB 4.35Å; L233-A238 VanDerWaalsContact O-CB 3.29Å; L233-A238 WeakPolarHBondContact O-CB 3.46Å; L233-A238 PolarHBondContact O-N 3.38Å; K236-A238 VanDerWaalsContact C-N 3.28Å; K236-A238 PolarHBondContact O-N 2.98Å; A238-D242 HydrophobicContact CB-CB 3.93Å; A238-L243 HydrophobicContact CB-CD2 4.5Å | ||
| 239 | S | 83 | Confident | 85.3 | Confident | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | trans | -72 | 159.5 | -177.8 | 83.4 | 0 | 0 | 0 | 0 | 111.4 | E241 D242 L243 | S239-E241 WeakPolarHBondContact CB-OE2 3.46Å; S239-E241 PolarHBondContact O-N 3.22Å; S239-E241 PolarHBondContact OG-N 3.19Å; S239-E241 PolarHBondContact OG-OE2 3.18Å; S239-D242 PolarHBondContact N-OD2 3.44Å; S239-D242 PolarHBondContact O-N 3.28Å; S239-D242 VanDerWaalsContact O-N 3.15Å; S239-D242 PolarHBondContact OG-N 3.33Å; S239-L243 WeakPolarHBondContact O-CG 3.49Å; S239-L243 PolarHBondContact O-N 3.15Å | ||
| 240 | P | 82.1 | Confident | 85.1 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -50.9 | -37.9 | 171.9 | -22.3 | 28.8 | 0 | 0 | 0 | 112.9 | L243 E244 F255 | P240-L243 PolarHBondContact O-N 3.2Å; P240-E244 WeakPolarHBondContact O-CB 3.29Å; P240-E244 PolarHBondContact O-N 3.38Å; P240-F255 HydrophobicContact CB-CD2 4.47Å; P240-F255 HydrophobicContact CG-CD2 4Å |
| 241 | E | 85.4 | Confident | 84.7 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 179.9 | -57.4 | 81 | -178.1 | 0 | 0 | 112.6 | S239 L243 E244 A245 | S239-E241 WeakPolarHBondContact CB-OE2 3.46Å; S239-E241 PolarHBondContact O-N 3.22Å; S239-E241 PolarHBondContact OG-N 3.19Å; S239-E241 PolarHBondContact OG-OE2 3.18Å; E241-L243 PolarHBondContact O-N 3.4Å; E241-E244 PolarHBondContact O-N 3.13Å; E241-A245 PolarHBondContact O-N 3.03Å; E241-A245 VanDerWaalsContact O-N 3.16Å |
| 242 | D | 86.9 | Confident | 84 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 175.1 | -71.7 | -32.7 | 0 | 0 | 0 | 111.3 | L233 A238 S239 | L233-D242 HydrophobicContact CD1-CB 4.34Å; A238-D242 HydrophobicContact CB-CB 3.93Å; S239-D242 PolarHBondContact N-OD2 3.44Å; S239-D242 PolarHBondContact O-N 3.28Å; S239-D242 VanDerWaalsContact O-N 3.15Å; S239-D242 PolarHBondContact OG-N 3.33Å |
| 243 | L | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80.1 | -38.4 | -179.3 | -60.6 | 173 | 0 | 0 | 0 | 111.8 | L230 L233 I234 A238 S239 P240 E241 A245 I246 F247 F250 F255 | L230-L243 HydrophobicContact CD1-CB 4.42Å; L230-L243 HydrophobicContact CD1-CD2 3.77Å; L233-L243 HydrophobicContact CB-CD2 3.41Å; L233-L243 VanDerWaalsContact CB-CD2 3.41Å; L233-L243 HydrophobicContact CD1-CD2 4.08Å; L233-L243 HydrophobicContact CG-CD2 4.42Å; I234-L243 HydrophobicContact CG1-CD1 4.04Å; I234-L243 HydrophobicContact CG1-CD2 3.78Å; A238-L243 HydrophobicContact CB-CD2 4.5Å; S239-L243 WeakPolarHBondContact O-CG 3.49Å; S239-L243 PolarHBondContact O-N 3.15Å; P240-L243 PolarHBondContact O-N 3.2Å; E241-L243 PolarHBondContact O-N 3.4Å; L243-A245 PolarHBondContact O-N 3.38Å; L243-I246 PolarHBondContact O-N 3.4Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-F250 HydrophobicContact CB-CB 3.78Å; L243-F250 HydrophobicContact CB-CD1 4.48Å; L243-F250 HydrophobicContact CB-CG 4.1Å; L243-F250 HydrophobicContact CD1-CD1 4.43Å; L243-F255 HydrophobicContact CD1-CD1 4.31Å; L243-F255 HydrophobicContact CD1-CD2 4.14Å; L243-F255 HydrophobicContact CD1-CE1 3.49Å; L243-F255 VanDerWaalsContact CD1-CE1 3.49Å; L243-F255 HydrophobicContact CD1-CE2 3.31Å; L243-F255 HydrophobicContact CD1-CZ 2.94Å; L243-F255 HydrophobicContact CG-CZ 4.39Å |
| 244 | E | 87.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -38.4 | 174.2 | -172.7 | -168.8 | 167.9 | 0 | 0 | 111.7 | P240 E241 I246 F247 H251 | P240-E244 WeakPolarHBondContact O-CB 3.29Å; P240-E244 PolarHBondContact O-N 3.38Å; E241-E244 PolarHBondContact O-N 3.13Å; E244-I246 PolarHBondContact O-N 2.94Å; E244-I246 VanDerWaalsContact O-N 3.1Å; E244-F247 WeakPolarHBondContact CA-O 3.28Å; E244-F247 CarbonylContact O-C 3.56Å; E244-F247 VanDerWaalsContact O-C 3.31Å; E244-F247 PolarHBondContact O-N 3.33Å; E244-H251 VanDerWaalsContact CD-CD2 3.43Å; E244-H251 HydrophobicContact CG-CB 3.97Å; E244-H251 IonicContact OE1-CD2 3.21Å; E244-H251 PolarHBondContact OE1-CD2 3.36Å; E244-H251 IonicContact OE2-CD2 3.57Å; E244-H251 PolarHBondContact OE2-CD2 3.31Å; E244-H251 IonicContact OE2-CG 2.72Å |
| 245 | A | 86.7 | Confident | 81 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 74% | 0.736 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | E241 L243 | E241-A245 PolarHBondContact O-N 3.03Å; E241-A245 VanDerWaalsContact O-N 3.16Å; L243-A245 PolarHBondContact O-N 3.38Å |
| 246 | I | 86.2 | Confident | 79.6 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -43.9 | 176.2 | -50.5 | -178.7 | 0 | 0 | 0 | 111 | Q226 E229 L233 L243 E244 | Q226-I246 HydrophobicContact CB-CG2 3.99Å; Q226-I246 HydrophobicContact CG-CG2 4.08Å; E229-I246 HydrophobicContact CB-CD1 3.89Å; E229-I246 VanDerWaalsContact CD-CD1 3.43Å; E229-I246 HydrophobicContact CG-CD1 3.42Å; E229-I246 VanDerWaalsContact CG-CD1 3.42Å; L233-I246 HydrophobicContact CD1-CD1 3.45Å; L233-I246 VanDerWaalsContact CD1-CD1 3.45Å; L233-I246 HydrophobicContact CD1-CG1 4.37Å; L233-I246 HydrophobicContact CG-CD1 4.49Å; L243-I246 PolarHBondContact O-N 3.4Å; E244-I246 PolarHBondContact O-N 2.94Å; E244-I246 VanDerWaalsContact O-N 3.1Å |
| 247 | F | 86.6 | Confident | 77.3 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | trans | -134.8 | 101.6 | -176 | -75.1 | -88.8 | 0 | 0 | 0 | 109.5 | N222 Q226 I227 L230 L243 E244 E249 F250 | N222-F247 HydrophobicContact CB-CE1 4.23Å; Q226-F247 HydrophobicContact CB-CE2 3.97Å; Q226-F247 HydrophobicContact CB-CZ 4Å; I227-F247 HydrophobicContact CD1-CZ 3.93Å; I227-F247 HydrophobicContact CG1-CZ 4.49Å; L230-F247 HydrophobicContact CB-CD2 3.99Å; L230-F247 HydrophobicContact CB-CE2 3.71Å; L230-F247 HydrophobicContact CD1-CD2 3.76Å; L230-F247 HydrophobicContact CD1-CE2 4.33Å; L230-F247 HydrophobicContact CD2-CD2 3.72Å; L230-F247 HydrophobicContact CD2-CE2 3.63Å; L230-F247 HydrophobicContact CD2-CG 4.4Å; L230-F247 HydrophobicContact CD2-CZ 4.25Å; L230-F247 HydrophobicContact CG-CD2 4.01Å; L230-F247 HydrophobicContact CG-CE2 4.07Å; L243-F247 PolarHBondContact O-N 2.95Å; E244-F247 WeakPolarHBondContact CA-O 3.28Å; E244-F247 CarbonylContact O-C 3.56Å; E244-F247 VanDerWaalsContact O-C 3.31Å; E244-F247 PolarHBondContact O-N 3.33Å; F247-E249 PolarHBondContact O-N 3.44Å; F247-F250 HydrophobicContact CB-CD2 3.45Å; F247-F250 VanDerWaalsContact CB-CD2 3.45Å; F247-F250 HydrophobicContact CB-CE2 3.8Å; F247-F250 HydrophobicContact CG-CD2 4.35Å; F247-F250 HydrophobicContact CG-CE2 4.23Å; F247-F250 PolarHBondContact O-N 3.14Å | ||
| 248 | P | 87.6 | Confident | 75.2 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -54.9 | -23 | -176.4 | -29 | 36.3 | 0 | 0 | 0 | 114.8 | F250 H251 | P248-F250 PolarHBondContact O-N 3.34Å; P248-F250 VanDerWaalsContact O-N 3.14Å; P248-H251 PolarHBondContact O-N 3.03Å |
| 249 | E | 87.3 | Confident | 74.8 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 21% | 0.206 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -65.8 | -12.4 | 176.9 | -60.6 | 80.9 | -179.2 | 0 | 0 | 114.3 | K21 V39 T43 F247 | K21-E249 VanDerWaalsContact NZ-CD 3.32Å; K21-E249 IonicContact NZ-OE1 3.44Å; K21-E249 PolarHBondContact NZ-OE1 3.49Å; K21-E249 IonicContact NZ-OE2 2.67Å; V39-E249 HydrophobicContact CG2-CB 4.16Å; V39-E249 HydrophobicContact CG2-CG 4.14Å; T43-E249 HydrophobicContact CG2-CB 3.96Å; F247-E249 PolarHBondContact O-N 3.44Å |
| 250 | F | 84 | Confident | 74.3 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -85.2 | -5.7 | 178.6 | -76 | -88.4 | 0 | 0 | 0 | 114.6 | V42 T43 L141 L230 I234 L243 F247 P248 D252 V253 F255 | V42-F250 HydrophobicContact CG1-CZ 4.22Å; T43-F250 HydrophobicContact CG2-CD1 4.25Å; T43-F250 HydrophobicContact CG2-CD2 4.26Å; T43-F250 HydrophobicContact CG2-CE1 4.08Å; T43-F250 HydrophobicContact CG2-CE2 4.1Å; T43-F250 HydrophobicContact CG2-CG 4.38Å; T43-F250 HydrophobicContact CG2-CZ 4.03Å; L141-F250 HydrophobicContact CD2-CE1 3.94Å; L230-F250 HydrophobicContact CD1-CD2 4.15Å; L230-F250 HydrophobicContact CD1-CE2 3.76Å; L230-F250 HydrophobicContact CD1-CZ 4Å; L230-F250 HydrophobicContact CD2-CE2 3.9Å; L230-F250 HydrophobicContact CD2-CZ 4.01Å; L230-F250 HydrophobicContact CG-CE2 4.48Å; I234-F250 HydrophobicContact CD1-CE1 4.42Å; I234-F250 HydrophobicContact CD1-CZ 4.45Å; L243-F250 HydrophobicContact CB-CB 3.78Å; L243-F250 HydrophobicContact CB-CD1 4.48Å; L243-F250 HydrophobicContact CB-CG 4.1Å; L243-F250 HydrophobicContact CD1-CD1 4.43Å; F247-F250 HydrophobicContact CB-CD2 3.45Å; F247-F250 VanDerWaalsContact CB-CD2 3.45Å; F247-F250 HydrophobicContact CB-CE2 3.8Å; F247-F250 HydrophobicContact CG-CD2 4.35Å; F247-F250 HydrophobicContact CG-CE2 4.23Å; F247-F250 PolarHBondContact O-N 3.14Å; P248-F250 PolarHBondContact O-N 3.34Å; P248-F250 VanDerWaalsContact O-N 3.14Å; F250-D252 VanDerWaalsContact C-N 3.29Å; F250-D252 PolarHBondContact O-N 2.91Å; F250-V253 HydrophobicContact CB-CG2 4.35Å; F250-V253 HydrophobicContact CD1-CB 3.99Å; F250-V253 HydrophobicContact CD1-CG1 4.15Å; F250-V253 HydrophobicContact CD1-CG2 3.74Å; F250-V253 HydrophobicContact CE1-CG2 4.44Å; F250-V253 HydrophobicContact CG-CG2 4.28Å; F250-V253 PolarHBondContact O-N 3.15Å; F250-F255 HydrophobicContact CD1-CE2 4.21Å; F250-F255 AromaticContact CD1-CZ 3.66Å; F250-F255 HydrophobicContact CD1-CZ 3.66Å; F250-F255 HydrophobicContact CE1-CZ 4.09Å |
| 251 | H | 79.7 | Confident | 73.9 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -46.9 | 179.8 | 177 | -77.6 | 0 | 0 | 0 | 113 | E244 P248 | E244-H251 VanDerWaalsContact CD-CD2 3.43Å; E244-H251 HydrophobicContact CG-CB 3.97Å; E244-H251 IonicContact OE1-CD2 3.21Å; E244-H251 PolarHBondContact OE1-CD2 3.36Å; E244-H251 IonicContact OE2-CD2 3.57Å; E244-H251 PolarHBondContact OE2-CD2 3.31Å; E244-H251 IonicContact OE2-CG 2.72Å; P248-H251 PolarHBondContact O-N 3.03Å |
| 252 | D | 70.6 | Confident | 73.2 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 74% | 0.743 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 8.7 | -176.8 | -69.4 | -29.5 | 0 | 0 | 0 | 114.1 | F250 K254 | F250-D252 VanDerWaalsContact C-N 3.29Å; F250-D252 PolarHBondContact O-N 2.91Å; D252-K254 PolarHBondContact O-N 3.48Å |
| 253 | V | 73.5 | Confident | 72.3 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.048 | 43% | 0.425 | C | S | . | . | trans | -76.3 | 120.8 | -177.2 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | T43 L141 F250 F255 | T43-V253 HydrophobicContact CG2-CG2 3.89Å; L141-V253 HydrophobicContact CD2-CG1 4.06Å; F250-V253 HydrophobicContact CB-CG2 4.35Å; F250-V253 HydrophobicContact CD1-CB 3.99Å; F250-V253 HydrophobicContact CD1-CG1 4.15Å; F250-V253 HydrophobicContact CD1-CG2 3.74Å; F250-V253 HydrophobicContact CE1-CG2 4.44Å; F250-V253 HydrophobicContact CG-CG2 4.28Å; F250-V253 PolarHBondContact O-N 3.15Å; V253-F255 HydrophobicContact CB-CD2 4.45Å; V253-F255 HydrophobicContact CB-CE2 3.72Å; V253-F255 HydrophobicContact CB-CZ 4.16Å; V253-F255 HydrophobicContact CG1-CD2 4.13Å; V253-F255 HydrophobicContact CG1-CE1 4.33Å; V253-F255 HydrophobicContact CG1-CE2 3.51Å; V253-F255 HydrophobicContact CG1-CZ 3.6Å; V253-F255 VanDerWaalsContact O-CD2 3.28Å; V253-F255 WeakPolarHBondContact O-CD2 3.09Å; V253-F255 PolarHBondContact O-N 2.62Å | ||
| 254 | K | 61.6 | Low | 71.4 | Confident | 180 Ų | 180 | 82.9 Ų | 82.9 | 78% | 0.783 | 45% | 0.454 | S | S | * | . | trans | -79.2 | 108.3 | 175.2 | -66.7 | -174.1 | 177.9 | -175.8 | 0 | 110.2 | D252 | D252-K254 PolarHBondContact O-N 3.48Š| ||
| 255 | F | 59.4 | Low | 70.2 | Confident | 29 Ų | 29 | 84 Ų | 84 | 13% | 0.127 | 46% | 0.463 | C | S | . | . | trans | -89.6 | 136.2 | 170.8 | -68.7 | -87.5 | 0 | 0 | 0 | 111.4 | L141 I234 P240 L243 F250 V253 Q257 | L141-F255 HydrophobicContact CD2-CD1 4.22Å; L141-F255 HydrophobicContact CD2-CE1 3.33Å; L141-F255 HydrophobicContact CD2-CZ 3.7Å; L141-F255 HydrophobicContact CG-CE1 4.27Å; I234-F255 HydrophobicContact CG1-CE1 4.32Å; I234-F255 HydrophobicContact CG2-CE1 4.39Å; P240-F255 HydrophobicContact CB-CD2 4.47Å; P240-F255 HydrophobicContact CG-CD2 4Å; L243-F255 HydrophobicContact CD1-CD1 4.31Å; L243-F255 HydrophobicContact CD1-CD2 4.14Å; L243-F255 HydrophobicContact CD1-CE1 3.49Å; L243-F255 VanDerWaalsContact CD1-CE1 3.49Å; L243-F255 HydrophobicContact CD1-CE2 3.31Å; L243-F255 HydrophobicContact CD1-CZ 2.94Å; L243-F255 HydrophobicContact CG-CZ 4.39Å; F250-F255 HydrophobicContact CD1-CE2 4.21Å; F250-F255 AromaticContact CD1-CZ 3.66Å; F250-F255 HydrophobicContact CD1-CZ 3.66Å; F250-F255 HydrophobicContact CE1-CZ 4.09Å; V253-F255 HydrophobicContact CB-CD2 4.45Å; V253-F255 HydrophobicContact CB-CE2 3.72Å; V253-F255 HydrophobicContact CB-CZ 4.16Å; V253-F255 HydrophobicContact CG1-CD2 4.13Å; V253-F255 HydrophobicContact CG1-CE1 4.33Å; V253-F255 HydrophobicContact CG1-CE2 3.51Å; V253-F255 HydrophobicContact CG1-CZ 3.6Å; V253-F255 VanDerWaalsContact O-CD2 3.28Å; V253-F255 WeakPolarHBondContact O-CD2 3.09Å; V253-F255 PolarHBondContact O-N 2.62Å; F255-Q257 PolarHBondContact O-N 2.91Å | ||
| 256 | G | 49.5 | Very low | 69 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 61.1 | 13.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 257 | Q | 35 | Very low | 67.5 | Low | 170 Ų | 170 | 88.6 Ų | 88.6 | 79% | 0.794 | 47% | 0.469 | S | S | * | . | trans | -116.7 | 93.8 | 173 | -68.4 | -171.2 | -0.1 | 0 | 0 | 110.2 | F255 | F255-Q257 PolarHBondContact O-N 2.91Š| ||
| 258 | L | 35.9 | Very low | 65.8 | Low | 223 Ų | 223 | 95.5 Ų | 95.5 | 100% | 1.168 | 51% | 0.507 | S | S | * | . | trans | -116.2 | 0 | 146.8 | -80.8 | 170.6 | 0 | 0 | 0 | 107.9 |
Retrieved 258 of 258 residues in 212.8 ms
(Link to these results)