A0A087XHA7_POEFO Loading...

Thyroid hormone receptor interactor 10a

AlphaFold DB , UniProt , Accession A0A087XHA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 aa.

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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
1M81.1Confident95.1Very high193 Ų19376.3 Ų76.395%0.95137%0.369SS*.  0120.60-63.8-160.9-54.600106.2E6M1-E6 HydrophobicContact CB-CG 4.05Å; M1-E6 HydrophobicContact CG-CG 4.37Å
2D95.4Very high95.3Very high47 Ų4778.3 Ų78.325%0.25138%0.383SS..  trans-145.5146.2-172.356.494.5000107.5G4 T5 E6 N214 Q217D2-G4 PolarHBondContact O-N 3.33Å; D2-T5 PolarHBondContact O-N 3.47Å; D2-T5 VanDerWaalsContact O-N 3.15Å; D2-T5 WeakPolarHBondContact OD1-CB 3.1Å; D2-T5 PolarHBondContact OD1-N 3.2Å; D2-T5 VanDerWaalsContact OD1-N 3.1Å; D2-T5 PolarHBondContact OD1-OG1 2.83Å; D2-T5 PolarHBondContact OD2-OG1 3.38Å; D2-E6 WeakPolarHBondContact O-CG 3.4Å; D2-E6 PolarHBondContact O-N 3.1Å; D2-N214 WeakPolarHBondContact CB-OD1 3.2Å; D2-N214 PolarHBondContact OD1-ND2 2.62Å; D2-N214 PolarHBondContact OD1-OD1 2.94Å; D2-Q217 VanDerWaalsContact CA-OE1 3.27Å
3W98.1Very high95.6Very high52 Ų5280.2 Ų80.220%0.19739%0.394CS..Hα-helixtrans-61.3-30.6-172.2-67.33.4000112.5T5 L7 I14 H17 T18 F213 N214 L216 Q217 D220W3-T5 VanDerWaalsContact C-N 3.32Å; W3-T5 PolarHBondContact O-N 3.16Å; W3-L7 HydrophobicContact CB-CB 4.49Å; W3-L7 HydrophobicContact CB-CD1 4.17Å; W3-L7 HydrophobicContact CD2-CD1 4.39Å; W3-L7 HydrophobicContact CG-CD1 3.84Å; W3-L7 CarbonylContact O-C 3.58Å; W3-L7 WeakPolarHBondContact O-CA 3.45Å; W3-L7 VanDerWaalsContact O-CB 3.31Å; W3-L7 WeakPolarHBondContact O-CB 3.13Å; W3-L7 PolarHBondContact O-N 3.31Å; W3-I14 HydrophobicContact CB-CD1 4.33Å; W3-I14 HydrophobicContact CE3-CD1 4.24Å; W3-I14 HydrophobicContact CE3-CG1 4.19Å; W3-I14 HydrophobicContact CE3-CG2 3.96Å; W3-I14 HydrophobicContact CZ3-CG2 3.87Å; W3-H17 AromaticContact CH2-CD2 3.67Å; W3-T18 HydrophobicContact CH2-CG2 4.23Å; W3-T18 HydrophobicContact CZ3-CG2 3.96Å; W3-F213 HydrophobicContact CB-CB 4.11Å; W3-N214 PolarHBondContact N-OD1 3.04Å; W3-L216 HydrophobicContact CE3-CB 4.38Å; W3-L216 HydrophobicContact CZ3-CB 4.27Å; W3-Q217 HydrophobicContact CB-CB 4.35Å; W3-Q217 HydrophobicContact CD2-CB 3.62Å; W3-Q217 HydrophobicContact CD2-CG 3.96Å; W3-Q217 HydrophobicContact CE3-CB 3.79Å; W3-Q217 HydrophobicContact CG-CB 3.87Å; W3-Q217 HydrophobicContact CG-CG 4.1Å; W3-Q217 HydrophobicContact CZ2-CG 4.41Å; W3-Q217 HydrophobicContact CZ3-CB 4.34Å; W3-D220 HydrophobicContact CH2-CB 3.54Å; W3-D220 HydrophobicContact CZ2-CB 4.19Å; W3-D220 HydrophobicContact CZ3-CB 4.24Å
4G95.9Very high95.8Very high1 Ų174.9 Ų74.91%0.0137%0.368CS..Hα-helixtrans-64-33.817800000114.4D2 P210 N214D2-G4 PolarHBondContact O-N 3.33Å; G4-P210 VanDerWaalsContact CA-CA 3.45Å; G4-N214 WeakPolarHBondContact CA-OD1 3.32Å; G4-N214 PolarHBondContact N-OD1 3.45Å
5T95.1Very high96Very high85 Ų8573.2 Ų73.252%0.52136%0.359SS..Hα-helixtrans-91.9-46.9177.5-51.60000111.9D2 W3D2-T5 PolarHBondContact O-N 3.47Å; D2-T5 VanDerWaalsContact O-N 3.15Å; D2-T5 WeakPolarHBondContact OD1-CB 3.1Å; D2-T5 PolarHBondContact OD1-N 3.2Å; D2-T5 VanDerWaalsContact OD1-N 3.1Å; D2-T5 PolarHBondContact OD1-OG1 2.83Å; D2-T5 PolarHBondContact OD2-OG1 3.38Å; W3-T5 VanDerWaalsContact C-N 3.32Å; W3-T5 PolarHBondContact O-N 3.16Å
6E97.7Very high96.1Very high106 Ų10677.8 Ų77.850%0.49538%0.376SS..Hα-helixtrans-86.3-22.2-170-52.1-65.6170.600113.7M1 D2M1-E6 HydrophobicContact CB-CG 4.05Å; M1-E6 HydrophobicContact CG-CG 4.37Å; D2-E6 WeakPolarHBondContact O-CG 3.4Å; D2-E6 PolarHBondContact O-N 3.1Å
7L97.4Very high96.3Very high59 Ų5978.3 Ų78.331%0.30938%0.378SS..SBendtrans-124.825.3-172.7-57.9178.2000112.5W3 D9 Q10 I14 F213W3-L7 HydrophobicContact CB-CB 4.49Å; W3-L7 HydrophobicContact CB-CD1 4.17Å; W3-L7 HydrophobicContact CD2-CD1 4.39Å; W3-L7 HydrophobicContact CG-CD1 3.84Å; W3-L7 CarbonylContact O-C 3.58Å; W3-L7 WeakPolarHBondContact O-CA 3.45Å; W3-L7 VanDerWaalsContact O-CB 3.31Å; W3-L7 WeakPolarHBondContact O-CB 3.13Å; W3-L7 PolarHBondContact O-N 3.31Å; L7-D9 PolarHBondContact O-N 3.11Å; L7-Q10 HydrophobicContact CB-CB 4.15Å; L7-Q10 HydrophobicContact CB-CG 4.27Å; L7-Q10 HydrophobicContact CD2-CG 4.08Å; L7-Q10 PolarHBondContact O-N 3.21Å; L7-I14 HydrophobicContact CB-CD1 4.08Å; L7-I14 HydrophobicContact CD1-CD1 4.47Å; L7-F213 WeakPolarHBondContact O-CE2 3.43Å
8W95.6Very high96.4Very high125 Ų12573.9 Ų73.947%0.47336%0.357SS..THydrogen-bonded Turntrans-54-23.7-172.665.8-88.4000115.6Y205W8-Y205 AromaticContact CE3-CD1 3.62Å; W8-Y205 HydrophobicContact CE3-CD1 3.62Å; W8-Y205 AromaticContact CE3-CE1 3.55Å; W8-Y205 HydrophobicContact CE3-CE1 3.55Å; W8-Y205 AromaticContact CZ3-CD1 3.88Å; W8-Y205 HydrophobicContact CZ3-CD1 3.88Å; W8-Y205 AromaticContact CZ3-CE1 3.44Å; W8-Y205 HydrophobicContact CZ3-CE1 3.44Å; W8-Y205 VanDerWaalsContact CZ3-CE1 3.44Å
9D94.8Very high96.5Very high91 Ų9173.4 Ų73.449%0.48735%0.353SS..THydrogen-bonded Turntrans-102.8-10.9176.764.9-24.3000114.1L7 Y11L7-D9 PolarHBondContact O-N 3.11Å; D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.28Å
10Q97.8Very high96.6Very high64 Ų6473.2 Ų73.230%0.29936%0.36SS..  trans-8839.6-169.4-54.5-56.4-42.300114.4L7 D12 I13 I14L7-Q10 HydrophobicContact CB-CB 4.15Å; L7-Q10 HydrophobicContact CB-CG 4.27Å; L7-Q10 HydrophobicContact CD2-CG 4.08Å; L7-Q10 PolarHBondContact O-N 3.21Å; Q10-D12 PolarHBondContact O-N 2.59Å; Q10-I13 HydrophobicContact CB-CB 4.25Å; Q10-I13 HydrophobicContact CB-CD1 4.37Å; Q10-I13 HydrophobicContact CB-CG1 4.4Å; Q10-I13 PolarHBondContact O-N 3.32Å; Q10-I14 PolarHBondContact O-N 2.95Å; Q10-I14 VanDerWaalsContact O-N 3.07Å
11Y97.5Very high96.7Very high16 Ų1670.1 Ų70.16%0.06335%0.347CS..Hα-helixtrans-50.4-50-176.4179.5-92.5000113.3D9 I13 I14 E15 L117 A120 K121 F213D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.28Å; Y11-I13 VanDerWaalsContact C-N 3.27Å; Y11-I13 PolarHBondContact O-N 3.34Å; Y11-I14 PolarHBondContact O-N 3.02Å; Y11-E15 HydrophobicContact CE1-CB 4.3Å; Y11-E15 WeakPolarHBondContact O-CB 3.47Å; Y11-E15 PolarHBondContact O-N 3.5Å; Y11-E15 PolarHBondContact OH-OE1 3.46Å; Y11-L117 HydrophobicContact CE2-CD2 3.95Å; Y11-L117 PolarHBondContact OH-O 2.75Å; Y11-A120 HydrophobicContact CD2-CB 4.14Å; Y11-A120 HydrophobicContact CE2-CB 3.58Å; Y11-K121 VanDerWaalsContact OH-CD 3.26Å; Y11-K121 WeakPolarHBondContact OH-CD 3.32Å; Y11-K121 WeakPolarHBondContact OH-CE 3.3Å; Y11-K121 WeakPolarHBondContact OH-CG 3.24Å; Y11-K121 PolarHBondContact OH-NZ 3.46Å; Y11-F213 AromaticContact CD2-CE1 3.91Å; Y11-F213 HydrophobicContact CD2-CE1 3.91Å; Y11-F213 HydrophobicContact CD2-CZ 4.11Å
12D97.8Very high97.6Very high100 Ų10061 Ų6154%0.53530%0.302SS..Hα-helixtrans-66.4-28.5-177-67.3-20.7000112.9Q10 K16Q10-D12 PolarHBondContact O-N 2.59Å; D12-K16 WeakPolarHBondContact O-CB 3.31Å; D12-K16 VanDerWaalsContact O-CD 3.31Å; D12-K16 WeakPolarHBondContact O-CD 3.37Å; D12-K16 WeakPolarHBondContact O-CG 3.38Å; D12-K16 PolarHBondContact O-N 2.78Å; D12-K16 VanDerWaalsContact O-N 3.15Å
13I98.3Very high97.7Very high104 Ų10463 Ų6353%0.53331%0.31SS..Hα-helixtrans-74.4-45.2176.7-56-171.3000109.4Q10 Y11 E15 K16 H17Q10-I13 HydrophobicContact CB-CB 4.25Å; Q10-I13 HydrophobicContact CB-CD1 4.37Å; Q10-I13 HydrophobicContact CB-CG1 4.4Å; Q10-I13 PolarHBondContact O-N 3.32Å; Y11-I13 VanDerWaalsContact C-N 3.27Å; Y11-I13 PolarHBondContact O-N 3.34Å; I13-E15 PolarHBondContact O-N 3.35Å; I13-K16 PolarHBondContact O-N 2.78Å; I13-H17 VanDerWaalsContact O-CB 3.25Å; I13-H17 WeakPolarHBondContact O-CB 3.34Å; I13-H17 PolarHBondContact O-N 3.07Å
14I98.5Very high97.8Very high5 Ų564.7 Ų64.73%0.02632%0.322CS..Hα-helixtrans-63.4-41.8176.4-64.8171.6000110.6W3 L7 Q10 Y11 K16 T18 F213 L216W3-I14 HydrophobicContact CB-CD1 4.33Å; W3-I14 HydrophobicContact CE3-CD1 4.24Å; W3-I14 HydrophobicContact CE3-CG1 4.19Å; W3-I14 HydrophobicContact CE3-CG2 3.96Å; W3-I14 HydrophobicContact CZ3-CG2 3.87Å; L7-I14 HydrophobicContact CB-CD1 4.08Å; L7-I14 HydrophobicContact CD1-CD1 4.47Å; Q10-I14 PolarHBondContact O-N 2.95Å; Q10-I14 VanDerWaalsContact O-N 3.07Å; Y11-I14 PolarHBondContact O-N 3.02Å; I14-K16 PolarHBondContact O-N 2.79Å; I14-T18 HydrophobicContact CG2-CG2 4.25Å; I14-T18 WeakPolarHBondContact O-CB 3.4Å; I14-T18 VanDerWaalsContact O-CG2 3.3Å; I14-T18 WeakPolarHBondContact O-CG2 3.33Å; I14-T18 PolarHBondContact O-N 3.24Å; I14-T18 PolarHBondContact O-OG1 3.14Å; I14-F213 HydrophobicContact CD1-CB 4.31Å; I14-F213 HydrophobicContact CD1-CD1 3.86Å; I14-F213 HydrophobicContact CD1-CD2 3.64Å; I14-F213 HydrophobicContact CD1-CE1 3.96Å; I14-F213 HydrophobicContact CD1-CE2 3.78Å; I14-F213 HydrophobicContact CD1-CG 3.69Å; I14-F213 HydrophobicContact CD1-CZ 3.92Å; I14-L216 HydrophobicContact CG2-CB 4.22Å; I14-L216 HydrophobicContact CG2-CD1 3.96Å
15E98.4Very high97.9Very high50 Ų5065 Ų6523%0.23432%0.324CS..Hα-helixtrans-60.4-43.4175.8-178.1157.6-118.400111.5Y11 I13 T18 Q19 R113 L117 K121Y11-E15 HydrophobicContact CE1-CB 4.3Å; Y11-E15 WeakPolarHBondContact O-CB 3.47Å; Y11-E15 PolarHBondContact O-N 3.5Å; Y11-E15 PolarHBondContact OH-OE1 3.46Å; I13-E15 PolarHBondContact O-N 3.35Å; E15-T18 PolarHBondContact O-OG1 2.94Å; E15-Q19 WeakPolarHBondContact O-CB 3.39Å; E15-Q19 PolarHBondContact O-N 3.43Å; E15-R113 PolarHBondContact O-NH2 2.95Å; E15-L117 HydrophobicContact CB-CD2 4.09Å; E15-L117 HydrophobicContact CG-CD1 4.08Å; E15-L117 HydrophobicContact CG-CD2 4.27Å; E15-K121 IonicContact OE1-NZ 2.68Å; E15-K121 PolarHBondContact OE1-NZ 3Å; E15-K121 IonicContact OE2-NZ 2.86Å; E15-K121 PolarHBondContact OE2-NZ 3.3Å
16K98.6Very high98.1Very high147 Ų14764.5 Ų64.564%0.63932%0.316SS*.Hα-helixtrans-73.7-43.9178.8-71.2167-171.3168.10113.7D12 I13 I14 Q19 S20D12-K16 WeakPolarHBondContact O-CB 3.31Å; D12-K16 VanDerWaalsContact O-CD 3.31Å; D12-K16 WeakPolarHBondContact O-CD 3.37Å; D12-K16 WeakPolarHBondContact O-CG 3.38Å; D12-K16 PolarHBondContact O-N 2.78Å; D12-K16 VanDerWaalsContact O-N 3.15Å; I13-K16 PolarHBondContact O-N 2.78Å; I14-K16 PolarHBondContact O-N 2.79Å; K16-Q19 WeakPolarHBondContact O-CB 3.36Å; K16-Q19 PolarHBondContact O-N 2.96Å; K16-S20 PolarHBondContact O-N 2.87Å
17H98.7Very high98.1Very high86 Ų8666.9 Ų66.940%0.39833%0.325SS..Hα-helixtrans-61.1-49.6178.9173.582.8000111.1W3 I13 Q19 S20 G21 D220W3-H17 AromaticContact CH2-CD2 3.67Å; I13-H17 VanDerWaalsContact O-CB 3.25Å; I13-H17 WeakPolarHBondContact O-CB 3.34Å; I13-H17 PolarHBondContact O-N 3.07Å; H17-Q19 VanDerWaalsContact C-N 3.25Å; H17-Q19 PolarHBondContact O-N 2.88Å; H17-S20 PolarHBondContact O-N 3.19Å; H17-G21 PolarHBondContact O-N 2.61Å; H17-D220 IonicContact CD2-OD1 3.19Å; H17-D220 PolarHBondContact CD2-OD1 3.24Å; H17-D220 IonicContact CD2-OD2 3.4Å; H17-D220 IonicContact CE1-OD2 3.65Å; H17-D220 VanDerWaalsContact NE2-CG 3.28Å; H17-D220 IonicContact NE2-OD1 2.73Å; H17-D220 PolarHBondContact NE2-OD1 3.26Å; H17-D220 IonicContact NE2-OD2 2.75Å; H17-D220 PolarHBondContact NE2-OD2 2.74Å
18T98.7Very high98.2Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-65.6-27.3178.457.10000112.7W3 I14 E15 L22 R113W3-T18 HydrophobicContact CH2-CG2 4.23Å; W3-T18 HydrophobicContact CZ3-CG2 3.96Å; I14-T18 HydrophobicContact CG2-CG2 4.25Å; I14-T18 WeakPolarHBondContact O-CB 3.4Å; I14-T18 VanDerWaalsContact O-CG2 3.3Å; I14-T18 WeakPolarHBondContact O-CG2 3.33Å; I14-T18 PolarHBondContact O-N 3.24Å; I14-T18 PolarHBondContact O-OG1 3.14Å; E15-T18 PolarHBondContact O-OG1 2.94Å; T18-L22 WeakPolarHBondContact O-CD1 3.13Å; T18-L22 VanDerWaalsContact O-CG 3.32Å; T18-L22 WeakPolarHBondContact O-CG 3.48Å; T18-R113 PolarHBondContact OG1-NE 3.25Å
19Q98.7Very high98.3Very high63 Ų6360 Ų6029%0.29430%0.296SS..Hα-helixtrans-68.5-55.2170.4-179.759.733.400111.5E15 K16 H17 G21 L22 E23E15-Q19 WeakPolarHBondContact O-CB 3.39Å; E15-Q19 PolarHBondContact O-N 3.43Å; K16-Q19 WeakPolarHBondContact O-CB 3.36Å; K16-Q19 PolarHBondContact O-N 2.96Å; H17-Q19 VanDerWaalsContact C-N 3.25Å; H17-Q19 PolarHBondContact O-N 2.88Å; Q19-G21 PolarHBondContact O-N 3.38Å; Q19-L22 WeakPolarHBondContact O-CB 3.48Å; Q19-L22 PolarHBondContact O-N 3.11Å; Q19-E23 VanDerWaalsContact CG-OE1 3.28Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.45Å; Q19-E23 PolarHBondContact NE2-OE1 3.32Å; Q19-E23 PolarHBondContact O-N 3.18Å; Q19-E23 VanDerWaalsContact O-N 3.1Å
20S98.7Very high98.5Very high70 Ų7062 Ų6249%0.4930%0.301SS..Hα-helixtrans-60.2-35.2-176.8-1730000112.3K16 H17 L22 E23 L24K16-S20 PolarHBondContact O-N 2.87Å; H17-S20 PolarHBondContact O-N 3.19Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; S20-E23 PolarHBondContact O-N 3.07Å; S20-L24 PolarHBondContact O-N 3.21Å
21G98.6Very high98.6Very high8 Ų864.1 Ų64.18%0.08231%0.309CS..Hα-helixtrans-64.4-32.1173.300000114.3H17 Q19 V25 R223H17-G21 PolarHBondContact O-N 2.61Å; Q19-G21 PolarHBondContact O-N 3.38Å; G21-V25 PolarHBondContact O-N 2.64Å; G21-R223 VanDerWaalsContact O-CD 3.25Å; G21-R223 WeakPolarHBondContact O-CD 3.48Å; G21-R223 PolarHBondContact O-NE 2.8Å
22L98.7Very high98.6Very high1 Ų163.3 Ų63.31%0.00531%0.306CS..Hα-helixtrans-74.4-39.5174-64.8167.3000111T18 Q19 S20 L24 V25 E26 L106 L109 K110T18-L22 WeakPolarHBondContact O-CD1 3.13Å; T18-L22 VanDerWaalsContact O-CG 3.32Å; T18-L22 WeakPolarHBondContact O-CG 3.48Å; Q19-L22 WeakPolarHBondContact O-CB 3.48Å; Q19-L22 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-V25 WeakPolarHBondContact O-CB 3.39Å; L22-V25 PolarHBondContact O-N 3.46Å; L22-E26 PolarHBondContact O-N 2.92Å; L22-L106 HydrophobicContact CB-CD1 3.97Å; L22-L106 HydrophobicContact CD2-CD1 3.77Å; L22-L106 HydrophobicContact CG-CD1 4.44Å; L22-L109 HydrophobicContact CD2-CB 3.82Å; L22-L109 HydrophobicContact CD2-CD1 4.13Å; L22-K110 HydrophobicContact CD1-CG 4.16Å
23E98.7Very high98.7Very high91 Ų9164 Ų6443%0.42530%0.304SS..Hα-helixtrans-62-33.1174.2-67.7164.8179.800112.3Q19 S20 E26 K27Q19-E23 VanDerWaalsContact CG-OE1 3.28Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.45Å; Q19-E23 PolarHBondContact NE2-OE1 3.32Å; Q19-E23 PolarHBondContact O-N 3.18Å; Q19-E23 VanDerWaalsContact O-N 3.1Å; S20-E23 PolarHBondContact O-N 3.07Å; E23-E26 PolarHBondContact O-N 2.7Å; E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 PolarHBondContact O-N 3.13Å
24L98.8Very high98.7Very high86 Ų8663.1 Ų63.145%0.4530%0.298SS..Hα-helixtrans-64.7-37.3171.9-179.761.4000112.5S20 L22 Y28 L227S20-L24 PolarHBondContact O-N 3.21Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 3.19Å; L24-Y28 PolarHBondContact O-N 3.12Å; L24-L227 HydrophobicContact CD2-CD2 4.01Å; L24-L227 HydrophobicContact CG-CD2 4.08Å
25V98.8Very high98.7Very high7 Ų765.3 Ų65.34%0.04231%0.306CS..Hα-helixtrans-67.2-43.4174.3177.40000110.3G21 L22 K27 Y28 V29 L102 L106 R223 L227G21-V25 PolarHBondContact O-N 2.64Å; L22-V25 WeakPolarHBondContact O-CB 3.39Å; L22-V25 PolarHBondContact O-N 3.46Å; V25-K27 PolarHBondContact O-N 3Å; V25-Y28 PolarHBondContact O-N 3.1Å; V25-V29 HydrophobicContact CG1-CG2 4.48Å; V25-V29 WeakPolarHBondContact O-CG2 3.49Å; V25-V29 PolarHBondContact O-N 3.19Å; V25-L102 HydrophobicContact CG1-CB 4.44Å; V25-L106 HydrophobicContact CB-CD1 4.27Å; V25-L106 HydrophobicContact CG1-CB 4.44Å; V25-L106 HydrophobicContact CG1-CD1 4.31Å; V25-R223 HydrophobicContact CG2-CG 3.8Å; V25-L227 HydrophobicContact CG2-CB 4.41Å; V25-L227 HydrophobicContact CG2-CD1 4.32Å; V25-L227 HydrophobicContact CG2-CD2 4.08Å
26E98.7Very high98.7Very high75 Ų7563 Ų6335%0.3530%0.295SS..Hα-helixtrans-58.3-47.2174.3-71.6176.1-140.700112.1L22 E23 Y28 V29 K30 L106 K110L22-E26 PolarHBondContact O-N 2.92Å; E23-E26 PolarHBondContact O-N 2.7Å; E26-Y28 VanDerWaalsContact C-N 3.31Å; E26-Y28 PolarHBondContact O-N 3.48Å; E26-V29 PolarHBondContact O-N 3.17Å; E26-K30 WeakPolarHBondContact O-CB 3.39Å; E26-K30 PolarHBondContact O-N 3.32Å; E26-L106 HydrophobicContact CG-CD1 4.38Å; E26-L106 HydrophobicContact CG-CD2 3.31Å; E26-L106 HydrophobicContact CG-CG 4.45Å; E26-K110 WeakPolarHBondContact OE1-CE 3.27Å; E26-K110 IonicContact OE1-NZ 3.7Å; E26-K110 PolarHBondContact OE1-NZ 2.86Å; E26-K110 IonicContact OE2-NZ 2.74Å
27K98.8Very high98.7Very high157 Ų15760 Ų6068%0.68328%0.283SS*.Hα-helixtrans-61.8-38.6177.6-172.5174.6-178.41770112E23 V25 F31E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 PolarHBondContact O-N 3.13Å; V25-K27 PolarHBondContact O-N 3Å; K27-F31 WeakPolarHBondContact O-CB 3.2Å; K27-F31 PolarHBondContact O-N 3.35Å
28Y98.9Very high98.7Very high20 Ų2061.3 Ų61.38%0.07829%0.292CS..Hα-helixtrans-68.3-46.8175.4179.9-120.3000112.3L24 V25 E26 K30 F31 V32 I98 L102 L227 G230 Y231 F234L24-Y28 PolarHBondContact O-N 3.12Å; V25-Y28 PolarHBondContact O-N 3.1Å; E26-Y28 VanDerWaalsContact C-N 3.31Å; E26-Y28 PolarHBondContact O-N 3.48Å; Y28-K30 VanDerWaalsContact C-N 3.3Å; Y28-K30 PolarHBondContact O-N 3.49Å; Y28-F31 HydrophobicContact CD2-CD1 4.02Å; Y28-F31 HydrophobicContact CE2-CD1 4.06Å; Y28-F31 HydrophobicContact CE2-CE1 4.4Å; Y28-F31 WeakPolarHBondContact O-CB 3.45Å; Y28-F31 PolarHBondContact O-N 3.43Å; Y28-V32 HydrophobicContact CD1-CG2 4.41Å; Y28-V32 HydrophobicContact CD2-CG2 3.96Å; Y28-V32 HydrophobicContact CE1-CG2 3.94Å; Y28-V32 HydrophobicContact CE2-CG2 3.42Å; Y28-V32 VanDerWaalsContact CE2-CG2 3.42Å; Y28-V32 HydrophobicContact CG-CG2 4.43Å; Y28-V32 VanDerWaalsContact CZ-CG2 3.41Å; Y28-V32 WeakPolarHBondContact O-CG2 3.47Å; Y28-V32 PolarHBondContact O-N 3.25Å; Y28-I98 HydrophobicContact CE1-CG2 3.84Å; Y28-L102 HydrophobicContact CD1-CD1 3.77Å; Y28-L102 HydrophobicContact CE1-CD1 3.87Å; Y28-L227 HydrophobicContact CD1-CD1 3.56Å; Y28-L227 HydrophobicContact CE1-CD1 4.33Å; Y28-L227 HydrophobicContact CG-CD1 4Å; Y28-G230 PolarHBondContact OH-O 3.19Å; Y28-Y231 HydrophobicContact CD1-CD1 4.31Å; Y28-Y231 AromaticContact CD1-CE1 3.98Å; Y28-Y231 HydrophobicContact CD1-CE1 3.98Å; Y28-Y231 HydrophobicContact CD2-CD1 4.08Å; Y28-Y231 AromaticContact CD2-CE1 3.6Å; Y28-Y231 HydrophobicContact CD2-CE1 3.6Å; Y28-Y231 AromaticContact CE1-CD1 3.87Å; Y28-Y231 HydrophobicContact CE1-CD1 3.87Å; Y28-Y231 HydrophobicContact CE1-CE1 4.02Å; Y28-Y231 AromaticContact CE2-CD1 3.62Å; Y28-Y231 HydrophobicContact CE2-CD1 3.62Å; Y28-Y231 AromaticContact CE2-CE1 3.65Å; Y28-Y231 HydrophobicContact CE2-CE1 3.65Å; Y28-Y231 HydrophobicContact CG-CD1 4.4Å; Y28-Y231 AromaticContact CG-CE1 3.77Å; Y28-Y231 HydrophobicContact CG-CE1 3.77Å; Y28-Y231 AromaticContact CZ-CD1 3.5Å; Y28-Y231 VanDerWaalsContact CZ-CD1 3.5Å; Y28-Y231 AromaticContact CZ-CE1 3.87Å; Y28-F234 WeakPolarHBondContact OH-CB 3.42Å
29V98.8Very high98.7Very high18 Ų1861.6 Ų61.611%0.10929%0.294CS..Hα-helixtrans-57.6-44176.2167.50000111.1V25 E26 V32 K33 C99 L102 T103V25-V29 HydrophobicContact CG1-CG2 4.48Å; V25-V29 WeakPolarHBondContact O-CG2 3.49Å; V25-V29 PolarHBondContact O-N 3.19Å; E26-V29 PolarHBondContact O-N 3.17Å; V29-V32 PolarHBondContact O-N 2.91Å; V29-K33 PolarHBondContact O-N 2.94Å; V29-C99 HydrophobicContact CG1-CB 4.37Å; V29-L102 HydrophobicContact CG2-CB 3.56Å; V29-L102 HydrophobicContact CG2-CD1 4.1Å; V29-L102 HydrophobicContact CG2-CG 4.48Å; V29-T103 WeakPolarHBondContact CG1-OG1 3.44Å
30K98.7Very high98.6Very high133 Ų13362.3 Ų62.358%0.57830%0.297SS*.Hα-helixtrans-61.1-47175.6179.2169172.1170.90112E26 Y28 V32 K33 E34E26-K30 WeakPolarHBondContact O-CB 3.39Å; E26-K30 PolarHBondContact O-N 3.32Å; Y28-K30 VanDerWaalsContact C-N 3.3Å; Y28-K30 PolarHBondContact O-N 3.49Å; K30-V32 PolarHBondContact O-N 2.96Å; K30-K33 PolarHBondContact O-N 2.74Å; K30-E34 WeakPolarHBondContact CE-OE1 3.43Å; K30-E34 IonicContact NZ-OE1 2.93Å; K30-E34 WeakPolarHBondContact O-CG 3.41Å; K30-E34 PolarHBondContact O-N 3.36Å
31F98.9Very high98.6Very high109 Ų10961.9 Ų61.948%0.47829%0.294SS..Hα-helixtrans-58.4-44.1175.8163-98.5000112.6K27 Y28 R35 F234K27-F31 WeakPolarHBondContact O-CB 3.2Å; K27-F31 PolarHBondContact O-N 3.35Å; Y28-F31 HydrophobicContact CD2-CD1 4.02Å; Y28-F31 HydrophobicContact CE2-CD1 4.06Å; Y28-F31 HydrophobicContact CE2-CE1 4.4Å; Y28-F31 WeakPolarHBondContact O-CB 3.45Å; Y28-F31 PolarHBondContact O-N 3.43Å; F31-R35 VanDerWaalsContact O-CB 3.28Å; F31-R35 WeakPolarHBondContact O-CB 3.41Å; F31-R35 PolarHBondContact O-N 3.02Å; F31-F234 HydrophobicContact CE1-CE2 4.3Å; F31-F234 HydrophobicContact CE1-CZ 4.5Å
32V98.8Very high98.6Very high0 Ų066 Ų660%031%0.308CS..Hα-helixtrans-66.2-39.7177.2-179.50000110.6Y28 V29 K30 R35 T36 M94 I98 F234Y28-V32 HydrophobicContact CD1-CG2 4.41Å; Y28-V32 HydrophobicContact CD2-CG2 3.96Å; Y28-V32 HydrophobicContact CE1-CG2 3.94Å; Y28-V32 HydrophobicContact CE2-CG2 3.42Å; Y28-V32 VanDerWaalsContact CE2-CG2 3.42Å; Y28-V32 HydrophobicContact CG-CG2 4.43Å; Y28-V32 VanDerWaalsContact CZ-CG2 3.41Å; Y28-V32 WeakPolarHBondContact O-CG2 3.47Å; Y28-V32 PolarHBondContact O-N 3.25Å; V29-V32 PolarHBondContact O-N 2.91Å; K30-V32 PolarHBondContact O-N 2.96Å; V32-R35 WeakPolarHBondContact O-CB 3.46Å; V32-R35 PolarHBondContact O-N 3.19Å; V32-T36 HydrophobicContact CG1-CG2 4.45Å; V32-T36 WeakPolarHBondContact O-CG2 3.42Å; V32-T36 PolarHBondContact O-N 2.79Å; V32-T36 PolarHBondContact O-OG1 2.86Å; V32-M94 HydrophobicContact CG1-CB 4.03Å; V32-M94 HydrophobicContact CG1-CG 4.5Å; V32-I98 HydrophobicContact CG1-CB 4.34Å; V32-I98 HydrophobicContact CG1-CD1 4.37Å; V32-I98 HydrophobicContact CG1-CG2 4.29Å; V32-I98 HydrophobicContact CG2-CG2 4.29Å; V32-F234 HydrophobicContact CG1-CD2 4.26Å; V32-F234 HydrophobicContact CG1-CE2 4.41Å; V32-F234 HydrophobicContact CG2-CD2 3.95Å; V32-F234 HydrophobicContact CG2-CE2 4.18Å
33K98.6Very high98.6Very high114 Ų11466 Ų6650%0.49631%0.307SS..Hα-helixtrans-59.7-51.3175.6-168.5179.9-175.5-83.10112V29 K30 R35 T36 E37V29-K33 PolarHBondContact O-N 2.94Å; K30-K33 PolarHBondContact O-N 2.74Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.13Å; K33-T36 WeakPolarHBondContact CA-OG1 3.07Å; K33-T36 PolarHBondContact O-N 3.01Å; K33-T36 PolarHBondContact O-OG1 3.42Å; K33-E37 IonicContact NZ-OE1 3.55Å; K33-E37 PolarHBondContact NZ-OE1 3.38Å; K33-E37 WeakPolarHBondContact O-CG 3.39Å; K33-E37 PolarHBondContact O-N 2.94Å
34E98.8Very high98.6Very high85 Ų8566.4 Ų66.440%0.39731%0.308SS..Hα-helixtrans-57.7-40.7175.8-69.9171.118000111.4K30 T36 E37 I38K30-E34 WeakPolarHBondContact CE-OE1 3.43Å; K30-E34 IonicContact NZ-OE1 2.93Å; K30-E34 WeakPolarHBondContact O-CG 3.41Å; K30-E34 PolarHBondContact O-N 3.36Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 2.96Å; E34-E37 PolarHBondContact O-N 2.6Å; E34-I38 WeakPolarHBondContact O-CG1 3.41Å; E34-I38 PolarHBondContact O-N 2.85Å; E34-I38 VanDerWaalsContact O-N 3.16Å
35R98.6Very high98.6Very high51 Ų5168.3 Ų68.319%0.19231%0.314CS..Hα-helixtrans-62-34.6174171.967.6-169.196.4-0.5113.1F31 V32 K33 E39 M94 F234 E238F31-R35 VanDerWaalsContact O-CB 3.28Å; F31-R35 WeakPolarHBondContact O-CB 3.41Å; F31-R35 PolarHBondContact O-N 3.02Å; V32-R35 WeakPolarHBondContact O-CB 3.46Å; V32-R35 PolarHBondContact O-N 3.19Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.13Å; R35-E39 IonicContact CZ-OE2 3.34Å; R35-E39 IonicContact NH1-OE2 3.17Å; R35-E39 PolarHBondContact NH1-OE2 3.31Å; R35-E39 IonicContact NH2-OE2 3.24Å; R35-E39 PolarHBondContact NH2-OE2 3.01Å; R35-E39 PolarHBondContact O-N 3.23Å; R35-M94 HydrophobicContact CG-SD 4.49Å; R35-F234 HydrophobicContact CG-CE2 3.88Å; R35-F234 HydrophobicContact CG-CZ 3.86Å; R35-E238 IonicContact CZ-OE1 3.65Å; R35-E238 IonicContact NH2-OE1 2.76Å; R35-E238 PolarHBondContact NH2-OE1 3.48Å
36T98.4Very high98.5Very high1 Ų169 Ų691%0.00632%0.318CS..Hα-helixtrans-75.9-35.5176.356.60000113.3V32 K33 E34 I38 E39 Q40 A91 M94 I95V32-T36 HydrophobicContact CG1-CG2 4.45Å; V32-T36 WeakPolarHBondContact O-CG2 3.42Å; V32-T36 PolarHBondContact O-N 2.79Å; V32-T36 PolarHBondContact O-OG1 2.86Å; K33-T36 WeakPolarHBondContact CA-OG1 3.07Å; K33-T36 PolarHBondContact O-N 3.01Å; K33-T36 PolarHBondContact O-OG1 3.42Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 2.96Å; T36-I38 VanDerWaalsContact C-N 3.33Å; T36-I38 PolarHBondContact O-N 3.1Å; T36-E39 WeakPolarHBondContact O-CB 3.27Å; T36-E39 PolarHBondContact O-N 3.36Å; T36-E39 VanDerWaalsContact O-N 3.1Å; T36-Q40 WeakPolarHBondContact O-CG 3.38Å; T36-Q40 PolarHBondContact O-N 2.68Å; T36-A91 HydrophobicContact CG2-CB 4.44Å; T36-M94 HydrophobicContact CG2-CB 3.31Å; T36-M94 HydrophobicContact CG2-CG 4.27Å; T36-M94 HydrophobicContact CG2-SD 4.09Å; T36-I95 HydrophobicContact CG2-CG1 4.05Å; T36-I95 WeakPolarHBondContact OG1-CG1 3.48Å
37E98.3Very high98.5Very high85 Ų8567.7 Ų67.740%0.39731%0.31SS..Hα-helixtrans-63.6-40.7175.5-69163.1178.300111.1K33 E34 E39 S41K33-E37 IonicContact NZ-OE1 3.55Å; K33-E37 PolarHBondContact NZ-OE1 3.38Å; K33-E37 WeakPolarHBondContact O-CG 3.39Å; K33-E37 PolarHBondContact O-N 2.94Å; E34-E37 PolarHBondContact O-N 2.6Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.08Å; E37-S41 WeakPolarHBondContact O-CB 3.33Å; E37-S41 PolarHBondContact O-N 3.31Å
38I98.7Very high98.3Very high113 Ų11364.4 Ų64.458%0.57930%0.299SS*.Hα-helixtrans-59.6-42.2171.1-68165.8000111.2E34 T36 S41 Y42E34-I38 WeakPolarHBondContact O-CG1 3.41Å; E34-I38 PolarHBondContact O-N 2.85Å; E34-I38 VanDerWaalsContact O-N 3.16Å; T36-I38 VanDerWaalsContact C-N 3.33Å; T36-I38 PolarHBondContact O-N 3.1Å; I38-S41 PolarHBondContact O-N 3.06Å; I38-Y42 PolarHBondContact O-N 3Å
39E98.3Very high98.2Very high7 Ų767.5 Ų67.53%0.03332%0.317CS..Hα-helixtrans-69.4-43.5-178.8-164.765.5-127.600112.6R35 T36 E37 S41 Y42 A43 R87 A91R35-E39 IonicContact CZ-OE2 3.34Å; R35-E39 IonicContact NH1-OE2 3.17Å; R35-E39 PolarHBondContact NH1-OE2 3.31Å; R35-E39 IonicContact NH2-OE2 3.24Å; R35-E39 PolarHBondContact NH2-OE2 3.01Å; R35-E39 PolarHBondContact O-N 3.23Å; T36-E39 WeakPolarHBondContact O-CB 3.27Å; T36-E39 PolarHBondContact O-N 3.36Å; T36-E39 VanDerWaalsContact O-N 3.1Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.08Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 3.39Å; E39-Y42 PolarHBondContact O-N 3.4Å; E39-Y42 WeakPolarHBondContact OE1-CD1 3.29Å; E39-A43 WeakPolarHBondContact O-CB 3.47Å; E39-A43 PolarHBondContact O-N 3.24Å; E39-R87 VanDerWaalsContact CG-O 3.27Å; E39-R87 WeakPolarHBondContact CG-O 3.45Å; E39-R87 WeakPolarHBondContact OE1-CB 3.4Å; E39-R87 IonicContact OE1-CZ 2.65Å; E39-R87 IonicContact OE1-NE 3.32Å; E39-R87 PolarHBondContact OE1-NE 3.27Å; E39-R87 IonicContact OE1-NH2 2.72Å; E39-R87 PolarHBondContact OE1-NH2 2.77Å; E39-R87 VanDerWaalsContact OE1-NH2 3.12Å; E39-R87 IonicContact OE2-CZ 3Å; E39-R87 IonicContact OE2-NE 2.75Å; E39-R87 IonicContact OE2-NH2 2.94Å; E39-R87 PolarHBondContact OE2-NH2 2.63Å; E39-A91 HydrophobicContact CB-CB 4.05Å; E39-A91 HydrophobicContact CG-CB 4.23Å
40Q98.1Very high98.1Very high78 Ų7866.8 Ų66.836%0.36431%0.313SS..Hα-helixtrans-60.7-41.8174.3-72.2174.9-31.100111.2T36 A43 K44 A91T36-Q40 WeakPolarHBondContact O-CG 3.38Å; T36-Q40 PolarHBondContact O-N 2.68Å; Q40-A43 PolarHBondContact O-N 2.61Å; Q40-K44 VanDerWaalsContact O-CB 3.25Å; Q40-K44 WeakPolarHBondContact O-CB 3.44Å; Q40-K44 PolarHBondContact O-N 2.77Å; Q40-A91 HydrophobicContact CG-CB 3.59Å
41S98.4Very high97.8Very high60 Ų6066.1 Ų66.142%0.4231%0.31SS..Hα-helixtrans-61.5-43.6174.9-175.80000112.1E37 I38 E39 Q45E37-S41 WeakPolarHBondContact O-CB 3.33Å; E37-S41 PolarHBondContact O-N 3.31Å; I38-S41 PolarHBondContact O-N 3.06Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 3.39Å; S41-Q45 WeakPolarHBondContact O-CB 3.48Å; S41-Q45 VanDerWaalsContact O-CG 3.24Å; S41-Q45 WeakPolarHBondContact O-CG 3.4Å; S41-Q45 PolarHBondContact O-N 2.88Å; S41-Q45 PolarHBondContact O-NE2 3.41Å; S41-Q45 PolarHBondContact OG-NE2 3.09Å; S41-Q45 VanDerWaalsContact OG-NE2 3.07Å
42Y98.6Very high97.6Very high95 Ų9567.4 Ų67.437%0.37332%0.315SS..Hα-helixtrans-64-47.3176.1176.7-124000112.2I38 E39 Q45 L46 Y83 R87I38-Y42 PolarHBondContact O-N 3Å; E39-Y42 PolarHBondContact O-N 3.4Å; E39-Y42 WeakPolarHBondContact OE1-CD1 3.29Å; Y42-Q45 PolarHBondContact O-N 2.86Å; Y42-L46 HydrophobicContact CD1-CD1 4.42Å; Y42-L46 HydrophobicContact CD2-CD1 4.46Å; Y42-L46 HydrophobicContact CD2-CG 4.28Å; Y42-L46 HydrophobicContact CE1-CD1 3.9Å; Y42-L46 HydrophobicContact CE2-CD1 3.92Å; Y42-L46 HydrophobicContact CE2-CD2 4.09Å; Y42-L46 HydrophobicContact CE2-CG 3.95Å; Y42-L46 WeakPolarHBondContact O-CG 3.32Å; Y42-L46 PolarHBondContact O-N 3.26Å; Y42-Y83 HydrophobicContact CE1-CE1 4.28Å; Y42-R87 HydrophobicContact CD1-CG 4.27Å; Y42-R87 HydrophobicContact CE1-CG 4.04Å
43A98.4Very high97.2Very high0 Ų073.4 Ų73.40%034%0.339CS..Hα-helixtrans-60.6-45.5176.300000112.4E39 Q40 Q45 L46 R47 A84 R87 E88E39-A43 WeakPolarHBondContact O-CB 3.47Å; E39-A43 PolarHBondContact O-N 3.24Å; Q40-A43 PolarHBondContact O-N 2.61Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 3Å; A43-R47 WeakPolarHBondContact O-CB 3.44Å; A43-R47 PolarHBondContact O-N 2.94Å; A43-A84 WeakPolarHBondContact CB-O 3.37Å; A43-R87 HydrophobicContact CB-CB 4.13Å; A43-E88 HydrophobicContact CB-CB 4Å
44K98.1Very high96.5Very high101 Ų10170.5 Ų70.544%0.43933%0.329SS..Hα-helixtrans-59.4-42.3175.2-173.9174.3-179178.40111.3Q40 N48Q40-K44 VanDerWaalsContact O-CB 3.25Å; Q40-K44 WeakPolarHBondContact O-CB 3.44Å; Q40-K44 PolarHBondContact O-N 2.77Å; K44-N48 VanDerWaalsContact O-CB 3.3Å; K44-N48 WeakPolarHBondContact O-CB 3.46Å; K44-N48 PolarHBondContact O-N 3.38Å; K44-N48 PolarHBondContact O-ND2 3.43Å
45Q98.5Very high95Very high125 Ų12573.3 Ų73.358%0.58434%0.342SS*.Hα-helixtrans-65-45.2176.6-75.2174.36900112.6S41 Y42 A43 N48 L49S41-Q45 WeakPolarHBondContact O-CB 3.48Å; S41-Q45 VanDerWaalsContact O-CG 3.24Å; S41-Q45 WeakPolarHBondContact O-CG 3.4Å; S41-Q45 PolarHBondContact O-N 2.88Å; S41-Q45 PolarHBondContact O-NE2 3.41Å; S41-Q45 PolarHBondContact OG-NE2 3.09Å; S41-Q45 VanDerWaalsContact OG-NE2 3.07Å; Y42-Q45 PolarHBondContact O-N 2.86Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 3.33Å; Q45-N48 PolarHBondContact O-N 3.3Å; Q45-L49 WeakPolarHBondContact O-CB 3.46Å; Q45-L49 PolarHBondContact O-N 3.49Å
46L98.3Very high93.2Very high21 Ų2179.7 Ų79.711%0.1137%0.371CS..Hα-helixtrans-63.4-43.5176.2-69.6-176.6000112.5Y42 A43 N48 L49 S50 M80 Y83 A84Y42-L46 HydrophobicContact CD1-CD1 4.42Å; Y42-L46 HydrophobicContact CD2-CD1 4.46Å; Y42-L46 HydrophobicContact CD2-CG 4.28Å; Y42-L46 HydrophobicContact CE1-CD1 3.9Å; Y42-L46 HydrophobicContact CE2-CD1 3.92Å; Y42-L46 HydrophobicContact CE2-CD2 4.09Å; Y42-L46 HydrophobicContact CE2-CG 3.95Å; Y42-L46 WeakPolarHBondContact O-CG 3.32Å; Y42-L46 PolarHBondContact O-N 3.26Å; A43-L46 PolarHBondContact O-N 3Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.95Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.97Å; L46-S50 PolarHBondContact O-N 2.58Å; L46-S50 PolarHBondContact O-OG 3.04Å; L46-M80 HydrophobicContact CD1-SD 4.39Å; L46-M80 HydrophobicContact CD2-SD 4.04Å; L46-Y83 HydrophobicContact CD1-CD1 3.65Å; L46-Y83 HydrophobicContact CD1-CE1 3.59Å; L46-A84 HydrophobicContact CB-CB 3.69Å; L46-A84 HydrophobicContact CD1-CB 4.38Å
47R96.8Very high91Very high49 Ų4988.4 Ų88.419%0.18540%0.404CS..Hα-helixtrans-64.7-37.2176.8-177.4174.5-68.3145.70.1112.4A43 S50 K51 A84 E88A43-R47 WeakPolarHBondContact O-CB 3.44Å; A43-R47 PolarHBondContact O-N 2.94Å; R47-S50 PolarHBondContact O-OG 2.93Å; R47-S50 VanDerWaalsContact O-OG 3.1Å; R47-K51 HydrophobicContact CG-CD 4.24Å; R47-K51 VanDerWaalsContact O-CB 3.3Å; R47-K51 WeakPolarHBondContact O-CB 3.42Å; R47-K51 VanDerWaalsContact O-CG 3.23Å; R47-K51 WeakPolarHBondContact O-CG 3.22Å; R47-K51 PolarHBondContact O-N 3.05Å; R47-A84 HydrophobicContact CB-CB 4.3Å; R47-E88 IonicContact CZ-OE1 2.71Å; R47-E88 IonicContact CZ-OE2 3.77Å; R47-E88 IonicContact NH1-OE1 3.78Å; R47-E88 PolarHBondContact NH1-OE1 3.07Å; R47-E88 IonicContact NH1-OE2 3.76Å; R47-E88 PolarHBondContact NH1-OE2 3.49Å; R47-E88 IonicContact NH2-OE1 2.69Å; R47-E88 IonicContact NH2-OE2 3.92Å; R47-E88 PolarHBondContact NH2-OE2 2.89Å
48N96.3Very high88.3Confident87 Ų8790.1 Ų90.147%0.46543%0.425SS..Hα-helixtrans-70.6-34.8174.5-73.4-8.1000111.6K44 Q45 L46 K52K44-N48 VanDerWaalsContact O-CB 3.3Å; K44-N48 WeakPolarHBondContact O-CB 3.46Å; K44-N48 PolarHBondContact O-N 3.38Å; K44-N48 PolarHBondContact O-ND2 3.43Å; Q45-N48 PolarHBondContact O-N 3.3Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.95Å; N48-K52 WeakPolarHBondContact O-CB 3.26Å; N48-K52 PolarHBondContact O-N 2.96Å
49L97.1Very high85.8Confident85 Ų8590.5 Ų90.545%0.44543%0.428SS..Hα-helixtrans-63.6-52.1173.5-175.170.5000111.4Q45 L46 K52 Y53Q45-L49 WeakPolarHBondContact O-CB 3.46Å; Q45-L49 PolarHBondContact O-N 3.49Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.97Å; L49-K52 PolarHBondContact O-N 3.49Å; L49-Y53 HydrophobicContact CD1-CD2 3.99Å; L49-Y53 HydrophobicContact CD1-CE2 3.69Å; L49-Y53 HydrophobicContact CG-CD2 4.49Å; L49-Y53 WeakPolarHBondContact O-CD2 3.34Å; L49-Y53 PolarHBondContact O-N 3.44Å
50S95.3Very high83.3Confident3 Ų3100 Ų1002%0.02147%0.47CS..Hα-helixtrans-61.6-46.9179.657.90000111.7L46 R47 K52 Y53 N54 L77L46-S50 PolarHBondContact O-N 2.58Å; L46-S50 PolarHBondContact O-OG 3.04Å; R47-S50 PolarHBondContact O-OG 2.93Å; R47-S50 VanDerWaalsContact O-OG 3.1Å; S50-K52 PolarHBondContact O-N 3.3Å; S50-Y53 PolarHBondContact O-N 3Å; S50-N54 VanDerWaalsContact O-CB 3.27Å; S50-N54 WeakPolarHBondContact O-CB 3.32Å; S50-N54 PolarHBondContact O-N 2.87Å; S50-L77 VanDerWaalsContact CB-O 3.32Å; S50-L77 WeakPolarHBondContact CB-O 3.42Å
51K92.8Very high81Confident119 Ų119103.7 Ų103.752%0.51749%0.491SS..Hα-helixtrans-55.3-47.2173.5-76177178.2-1770112.3R47 Y53 N54 Q55R47-K51 HydrophobicContact CG-CD 4.24Å; R47-K51 VanDerWaalsContact O-CB 3.3Å; R47-K51 WeakPolarHBondContact O-CB 3.42Å; R47-K51 VanDerWaalsContact O-CG 3.23Å; R47-K51 WeakPolarHBondContact O-CG 3.22Å; R47-K51 PolarHBondContact O-N 3.05Å; K51-Y53 VanDerWaalsContact C-N 3.32Å; K51-Y53 PolarHBondContact O-N 3.4Å; K51-N54 PolarHBondContact O-N 2.94Å; K51-Q55 WeakPolarHBondContact O-CG 3.36Å; K51-Q55 PolarHBondContact O-N 3.41Å
52K94.1Very high78.8Confident136 Ų136104.5 Ų104.559%0.59149%0.489SS*.Hα-helixtrans-58.6-39.4-177.7178.4178179.4178.20113.1N48 L49 S50N48-K52 WeakPolarHBondContact O-CB 3.26Å; N48-K52 PolarHBondContact O-N 2.96Å; L49-K52 PolarHBondContact O-N 3.49Å; S50-K52 PolarHBondContact O-N 3.3Å
53Y90.5Very high76.7Confident126 Ų126103 Ų10349%0.49449%0.491SS..Hα-helixtrans-90-15.6-179.6-73.5-84.8000113.9L49 S50 K51 F73L49-Y53 HydrophobicContact CD1-CD2 3.99Å; L49-Y53 HydrophobicContact CD1-CE2 3.69Å; L49-Y53 HydrophobicContact CG-CD2 4.49Å; L49-Y53 WeakPolarHBondContact O-CD2 3.34Å; L49-Y53 PolarHBondContact O-N 3.44Å; S50-Y53 PolarHBondContact O-N 3Å; K51-Y53 VanDerWaalsContact C-N 3.32Å; K51-Y53 PolarHBondContact O-N 3.4Å; Y53-F73 HydrophobicContact CD1-CZ 4.47Å
54N84Confident74.5Confident54 Ų54106.7 Ų106.729%0.28951%0.51SS..Hα-helixtrans-90-0.7174.5-152.7-15.3000112.7S50 K51 K56 L77 N78S50-N54 VanDerWaalsContact O-CB 3.27Å; S50-N54 WeakPolarHBondContact O-CB 3.32Å; S50-N54 PolarHBondContact O-N 2.87Å; K51-N54 PolarHBondContact O-N 2.94Å; N54-K56 PolarHBondContact O-N 3.09Å; N54-K56 VanDerWaalsContact O-N 3.08Å; N54-L77 HydrophobicContact CB-CB 4.44Å; N54-L77 HydrophobicContact CB-CD1 4.01Å; N54-N78 PolarHBondContact ND2-OD1 3.37Å
55Q68.4Low72.6Confident144 Ų144105.2 Ų105.267%0.67351%0.512SS*.  trans-63111.3173-81.3174.313.900110.7K51 R57K51-Q55 WeakPolarHBondContact O-CG 3.36Å; K51-Q55 PolarHBondContact O-N 3.41Å; Q55-R57 PolarHBondContact O-N 3.41Å
56K59.4Low71.3Confident184 Ų184108.3 Ų108.380%0.852%0.518SS*.  trans-51123.2171.8-74.7-178.9175.4176.30110.1N54 S58N54-K56 PolarHBondContact O-N 3.09Å; N54-K56 VanDerWaalsContact O-N 3.08Å; K56-S58 PolarHBondContact O-N 3.43Å
57R53.3Low70.7Confident185 Ų185108.7 Ų108.770%0.69852%0.52SS*.  trans-54130.8164.8-72.4-179.2172.5-178.50.2108.6Q55 N59 E62Q55-R57 PolarHBondContact O-N 3.41Å; R57-N59 PolarHBondContact O-N 3.19Å; R57-E62 WeakPolarHBondContact CD-OE2 3.28Å
58S40.9Very low70.5Confident121 Ų121107.3 Ų107.385%0.84652%0.518SS*.SBendtrans-80.555.7-169-177.70000113.5K56K56-S58 PolarHBondContact O-N 3.43Å
59N45.9Very low70.2Confident120 Ų120105.8 Ų105.864%0.64251%0.514SS*.  trans-128.5129.6163-87.6-32.2000108.2R57 D61R57-N59 PolarHBondContact O-N 3.19Å; N59-D61 PolarHBondContact O-N 3.32Å
60K46.8Very low69.8Low208 Ų208105.6 Ų105.690%0.90451%0.508SS*.THydrogen-bonded Turntrans-78.7-4.8-174.1-74.4-174.1174-179.30114.1
61D48.3Very low69.6Low154 Ų154109.6 Ų109.682%0.82453%0.527SS*.THydrogen-bonded Turntrans-129.124.5-166.2-52.4-77.6000113.1N59 P63N59-D61 PolarHBondContact O-N 3.32Å; D61-P63 WeakPolarHBondContact O-CD 3.28Å
62E53.4Low69.7Low77 Ų77104.2 Ų104.236%0.3650%0.504SS..  trans-87.5111.2177.9-165.2162.3-101.600110.4R57 D64R57-E62 WeakPolarHBondContact CD-OE2 3.28Å; E62-D64 VanDerWaalsContact C-N 3.35Å; E62-D64 PolarHBondContact O-N 2.77Å
63P53.3Low69.7Low64 Ų64102 Ų10242%0.41649%0.494SS..G310 helixtrans-79.3-12.7-167.332.7-37.4000114.8D61 C65 R66D61-P63 WeakPolarHBondContact O-CD 3.28Å; P63-C65 PolarHBondContact O-N 3.31Å; P63-C65 VanDerWaalsContact O-N 3.1Å; P63-R66 PolarHBondContact O-N 3.05Å
64D53.1Low69.8Low78 Ų7897 Ų9742%0.41748%0.477SS..G310 helixtrans-58.1-23.4-179.8-62.5-21.6000113.1E62 R66 L67E62-D64 VanDerWaalsContact C-N 3.35Å; E62-D64 PolarHBondContact O-N 2.77Å; D64-R66 PolarHBondContact O-N 3.4Å; D64-L67 WeakPolarHBondContact O-CG 3.43Å; D64-L67 PolarHBondContact O-N 2.81Å; D64-L67 VanDerWaalsContact O-N 3.14Å
65C58.6Low70.3Confident70 Ų7096.8 Ų96.847%0.47348%0.476SS..G310 helixtrans-63.7-1.5177.3-159.40000114.1P63 Y70P63-C65 PolarHBondContact O-N 3.31Å; P63-C65 VanDerWaalsContact O-N 3.1Å; C65-Y70 HydrophobicContact CB-CD1 4.49Å; C65-Y70 HydrophobicContact CB-CE1 4.4Å
66R69.9Low71.7Confident190 Ų19092.3 Ų92.372%0.71746%0.456SS*.G310 helixtrans-101.4-3.1175.9-63.1-171.8-179.2-174.13.2114.8P63 D64 V267P63-R66 PolarHBondContact O-N 3.05Å; D64-R66 PolarHBondContact O-N 3.4Å; R66-V267 HydrophobicContact CB-CG1 4.27Å
67L87.5Confident73.5Confident28 Ų2884.2 Ų84.215%0.14742%0.421CS..  trans-78.2136.9179.6-58.2-177.9000110.6D64 S69 Y70 Q71 D264 V267 I268D64-L67 WeakPolarHBondContact O-CG 3.43Å; D64-L67 PolarHBondContact O-N 2.81Å; D64-L67 VanDerWaalsContact O-N 3.14Å; L67-S69 PolarHBondContact O-N 3.26Å; L67-Y70 PolarHBondContact O-N 3.44Å; L67-Q71 PolarHBondContact O-N 2.84Å; L67-D264 HydrophobicContact CD2-CB 4.02Å; L67-V267 HydrophobicContact CD2-CB 4.4Å; L67-V267 HydrophobicContact CD2-CG1 4.1Å; L67-I268 HydrophobicContact CD1-CD1 4.47Å; L67-I268 HydrophobicContact CD2-CD1 4.06Å; L67-I268 HydrophobicContact CD2-CG1 4.03Å
68S91.4Very high75.5Confident21 Ų2178.6 Ų78.615%0.14741%0.405CS..Hα-helixtrans-60.9-33.617863.50000111.8S72 N260 D264S68-S72 VanDerWaalsContact O-CB 3.26Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.19Å; S68-S72 PolarHBondContact O-OG 3.08Å; S68-N260 PolarHBondContact OG-N 2.88Å; S68-D264 VanDerWaalsContact CB-OD1 3.27Å; S68-D264 WeakPolarHBondContact CB-OD1 3.31Å; S68-D264 PolarHBondContact N-OD1 2.88Å; S68-D264 PolarHBondContact N-OD2 3.45Å; S68-D264 PolarHBondContact OG-OD1 3.02Å; S68-D264 PolarHBondContact OG-OD2 3.07Å
69S89.8Confident78.2Confident54 Ų5475.4 Ų75.438%0.37838%0.377SS..Hα-helixtrans-58.3-41169.8470000113.7L67 F73 D264L67-S69 PolarHBondContact O-N 3.26Å; S69-F73 PolarHBondContact O-N 3.49Å; S69-D264 WeakPolarHBondContact CB-OD2 3.49Å; S69-D264 PolarHBondContact N-OD2 3.33Å; S69-D264 VanDerWaalsContact N-OD2 3.08Å; S69-D264 PolarHBondContact OG-OD2 3.27Å
70Y89.6Confident80.7Confident81 Ų8172.3 Ų72.332%0.31836%0.359SS..Hα-helixtrans-75.4-45.4176.3-175.6-91.5000112C65 L67 S72 F73 V74C65-Y70 HydrophobicContact CB-CD1 4.49Å; C65-Y70 HydrophobicContact CB-CE1 4.4Å; L67-Y70 PolarHBondContact O-N 3.44Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.08Å; Y70-F73 WeakPolarHBondContact O-CB 3.36Å; Y70-F73 PolarHBondContact O-N 2.67Å; Y70-F73 VanDerWaalsContact O-N 3.08Å; Y70-V74 HydrophobicContact CD1-CG2 4.1Å; Y70-V74 HydrophobicContact CE1-CG2 3.64Å; Y70-V74 PolarHBondContact O-N 3.15Å; Y70-V74 VanDerWaalsContact O-N 3.11Å
71Q90.7Very high83.1Confident88 Ų8864.8 Ų64.841%0.41133%0.329SS..Hα-helixtrans-58.3-42.4177.5-17860.255.900111.3L67 F73 V74 D75L67-Q71 PolarHBondContact O-N 2.84Å; Q71-F73 VanDerWaalsContact C-N 3.25Å; Q71-F73 PolarHBondContact O-N 3.09Å; Q71-V74 WeakPolarHBondContact O-CB 3.49Å; Q71-V74 PolarHBondContact O-N 3.44Å; Q71-D75 PolarHBondContact NE2-OD1 3.11Å; Q71-D75 VanDerWaalsContact O-CG 3.25Å; Q71-D75 PolarHBondContact O-N 3Å
72S94.6Very high85.5Confident5 Ų561.5 Ų61.54%0.03531%0.311CS..Hα-helixtrans-63.3-30.7178.2-56.80000112.7S68 Y70 I76 A255 V259S68-S72 VanDerWaalsContact O-CB 3.26Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.19Å; S68-S72 PolarHBondContact O-OG 3.08Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.08Å; S72-I76 WeakPolarHBondContact O-CD1 3.32Å; S72-I76 VanDerWaalsContact O-CG1 3.22Å; S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 3.3Å; S72-I76 VanDerWaalsContact O-N 3.09Å; S72-A255 VanDerWaalsContact CB-O 3.32Å; S72-A255 WeakPolarHBondContact CB-O 3.42Å; S72-A255 PolarHBondContact OG-O 2.8Å; S72-A255 VanDerWaalsContact OG-O 3.08Å; S72-V259 WeakPolarHBondContact OG-CG2 3.47Å
73F94.1Very high87.6Confident90 Ų9060 Ų6040%0.39530%0.303SS..Hα-helixtrans-70.5-40.4172179.8-117.7000112Y53 S69 Y70 Q71 D75 I76 L77Y53-F73 HydrophobicContact CD1-CZ 4.47Å; S69-F73 PolarHBondContact O-N 3.49Å; Y70-F73 WeakPolarHBondContact O-CB 3.36Å; Y70-F73 PolarHBondContact O-N 2.67Å; Y70-F73 VanDerWaalsContact O-N 3.08Å; Q71-F73 VanDerWaalsContact C-N 3.25Å; Q71-F73 PolarHBondContact O-N 3.09Å; F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 3.14Å; F73-I76 PolarHBondContact O-N 2.95Å; F73-L77 HydrophobicContact CD1-CD1 4.01Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CG 4.37Å; F73-L77 HydrophobicContact CE2-CD1 4.4Å; F73-L77 HydrophobicContact CE2-CD2 4.32Å; F73-L77 HydrophobicContact CE2-CG 4.29Å; F73-L77 HydrophobicContact CZ-CD1 3.84Å; F73-L77 HydrophobicContact CZ-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CG 4.16Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.41Å
74V92.8Very high89.7Confident22 Ų2257 Ų5713%0.13328%0.283CS..Hα-helixtrans-61.3-42.5173175.80000111.1Y70 Q71 I76 L77 N78Y70-V74 HydrophobicContact CD1-CG2 4.1Å; Y70-V74 HydrophobicContact CE1-CG2 3.64Å; Y70-V74 PolarHBondContact O-N 3.15Å; Y70-V74 VanDerWaalsContact O-N 3.11Å; Q71-V74 WeakPolarHBondContact O-CB 3.49Å; Q71-V74 PolarHBondContact O-N 3.44Å; V74-I76 PolarHBondContact O-N 3.21Å; V74-L77 PolarHBondContact O-N 3.35Å; V74-N78 PolarHBondContact O-N 2.91Å; V74-N78 PolarHBondContact O-ND2 2.94Å
75D94.9Very high91.9Very high48 Ų4854.1 Ų54.126%0.25727%0.272SS..Hα-helixtrans-60.5-45176.6-63.6-14.7000111.2Q71 F73 L77 N78 E79 A255Q71-D75 PolarHBondContact NE2-OD1 3.11Å; Q71-D75 VanDerWaalsContact O-CG 3.25Å; Q71-D75 PolarHBondContact O-N 3Å; F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 3.14Å; D75-L77 VanDerWaalsContact C-N 3.31Å; D75-L77 PolarHBondContact O-N 3Å; D75-N78 WeakPolarHBondContact O-CB 3.41Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 VanDerWaalsContact O-N 3.14Å; D75-E79 WeakPolarHBondContact O-CG 3.44Å; D75-E79 PolarHBondContact O-N 2.71Å; D75-A255 HydrophobicContact CB-CB 3.9Å
76I97.1Very high93.8Very high50 Ų5052.6 Ų52.626%0.25626%0.258SS..Hα-helixtrans-60.2-38.2175-71.1166.1000112S72 F73 V74 N78 M80 I252 A255S72-I76 WeakPolarHBondContact O-CD1 3.32Å; S72-I76 VanDerWaalsContact O-CG1 3.22Å; S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 3.3Å; S72-I76 VanDerWaalsContact O-N 3.09Å; F73-I76 PolarHBondContact O-N 2.95Å; V74-I76 PolarHBondContact O-N 3.21Å; I76-N78 VanDerWaalsContact C-N 3.34Å; I76-M80 WeakPolarHBondContact O-CB 3.39Å; I76-M80 PolarHBondContact O-N 3.1Å; I76-I252 HydrophobicContact CG1-CB 4.42Å; I76-I252 HydrophobicContact CG1-CG1 4.35Å; I76-I252 HydrophobicContact CG1-CG2 4.18Å; I76-I252 HydrophobicContact CG2-CG1 4.27Å; I76-I252 HydrophobicContact CG2-CG2 4.49Å; I76-A255 HydrophobicContact CD1-CB 4.33Å; I76-A255 HydrophobicContact CG1-CB 3.84Å
77L96.6Very high95.1Very high14 Ų1444.9 Ų44.97%0.07323%0.229CC..Hα-helixtrans-69.1-32.1176.7-67.6170.4000112.4S50 N54 F73 V74 D75 N81S50-L77 VanDerWaalsContact CB-O 3.32Å; S50-L77 WeakPolarHBondContact CB-O 3.42Å; N54-L77 HydrophobicContact CB-CB 4.44Å; N54-L77 HydrophobicContact CB-CD1 4.01Å; F73-L77 HydrophobicContact CD1-CD1 4.01Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CG 4.37Å; F73-L77 HydrophobicContact CE2-CD1 4.4Å; F73-L77 HydrophobicContact CE2-CD2 4.32Å; F73-L77 HydrophobicContact CE2-CG 4.29Å; F73-L77 HydrophobicContact CZ-CD1 3.84Å; F73-L77 HydrophobicContact CZ-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CG 4.16Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.41Å; V74-L77 PolarHBondContact O-N 3.35Å; D75-L77 VanDerWaalsContact C-N 3.31Å; D75-L77 PolarHBondContact O-N 3Å; L77-N81 PolarHBondContact O-N 2.63Å; L77-N81 VanDerWaalsContact O-N 3.11Å
78N96Very high95.6Very high68 Ų6846.3 Ų46.336%0.36424%0.235SC..Hα-helixtrans-70.2-48.7174.9-61.1-28.5000110.7N54 V74 D75 I76 M80 N81 D82N54-N78 PolarHBondContact ND2-OD1 3.37Å; V74-N78 PolarHBondContact O-N 2.91Å; V74-N78 PolarHBondContact O-ND2 2.94Å; D75-N78 WeakPolarHBondContact O-CB 3.41Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 VanDerWaalsContact O-N 3.14Å; I76-N78 VanDerWaalsContact C-N 3.34Å; N78-M80 PolarHBondContact O-N 2.96Å; N78-N81 WeakPolarHBondContact O-CA 3.36Å; N78-N81 WeakPolarHBondContact O-CB 3.47Å; N78-N81 PolarHBondContact O-N 3Å; N78-D82 PolarHBondContact O-N 2.84Å
79E98.1Very high95.9Very high54 Ų5448.3 Ų48.325%0.25224%0.244SC..Hα-helixtrans-60.4-33.1176.2-64-71.1-172.500112.3D75 D82 Y83 C248 G251 I252D75-E79 WeakPolarHBondContact O-CG 3.44Å; D75-E79 PolarHBondContact O-N 2.71Å; E79-D82 PolarHBondContact O-N 3.38Å; E79-Y83 WeakPolarHBondContact O-CB 3.33Å; E79-Y83 PolarHBondContact O-N 2.89Å; E79-C248 HydrophobicContact CB-CB 4.33Å; E79-C248 VanDerWaalsContact OE2-CA 3.32Å; E79-C248 WeakPolarHBondContact OE2-CA 3.16Å; E79-C248 PolarHBondContact OE2-SG 2.91Å; E79-C248 VanDerWaalsContact OE2-SG 3.42Å; E79-G251 WeakPolarHBondContact OE1-CA 3.48Å; E79-I252 HydrophobicContact CB-CD1 4.2Å; E79-I252 HydrophobicContact CB-CG1 3.71Å; E79-I252 HydrophobicContact CG-CG1 4.33Å
80M98.1Very high96.4Very high55 Ų5545.8 Ų45.827%0.27123%0.226SC..Hα-helixtrans-69.1-35.2172.7-17559.761.200113L46 I76 N78 A84 I252L46-M80 HydrophobicContact CD1-SD 4.39Å; L46-M80 HydrophobicContact CD2-SD 4.04Å; I76-M80 WeakPolarHBondContact O-CB 3.39Å; I76-M80 PolarHBondContact O-N 3.1Å; N78-M80 PolarHBondContact O-N 2.96Å; M80-A84 WeakPolarHBondContact O-CB 3.42Å; M80-A84 PolarHBondContact O-N 2.97Å; M80-A84 VanDerWaalsContact O-N 3.1Å; M80-I252 HydrophobicContact CE-CD1 4.46Å
81N96.9Very high96.8Very high50 Ų5041.9 Ų41.927%0.26721%0.211SC..Hα-helixtrans-65.1-41.4172.4173.985.7000111.5L77 N78 A84 G85L77-N81 PolarHBondContact O-N 2.63Å; L77-N81 VanDerWaalsContact O-N 3.11Å; N78-N81 WeakPolarHBondContact O-CA 3.36Å; N78-N81 WeakPolarHBondContact O-CB 3.47Å; N78-N81 PolarHBondContact O-N 3Å; N81-A84 WeakPolarHBondContact O-CB 3.41Å; N81-A84 PolarHBondContact O-N 2.84Å; N81-G85 PolarHBondContact O-N 2.73Å
82D97.9Very high97.1Very high84 Ų8441.6 Ų41.645%0.44921%0.209SC..Hα-helixtrans-76.6-36.3-175.2-67.44.2000111N78 E79 A84 G85 Q86N78-D82 PolarHBondContact O-N 2.84Å; E79-D82 PolarHBondContact O-N 3.38Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 2.77Å; D82-G85 PolarHBondContact O-N 3.01Å; D82-G85 VanDerWaalsContact O-N 3.16Å; D82-Q86 PolarHBondContact O-N 3.4Å
83Y98.4Very high97.3Very high46 Ų4644 Ų4418%0.1822%0.222CC..Hα-helixtrans-54.8-44.9164.1177.1-81000111.7Y42 L46 E79 G85 Q86 R87 I245Y42-Y83 HydrophobicContact CE1-CE1 4.28Å; L46-Y83 HydrophobicContact CD1-CD1 3.65Å; L46-Y83 HydrophobicContact CD1-CE1 3.59Å; E79-Y83 WeakPolarHBondContact O-CB 3.33Å; E79-Y83 PolarHBondContact O-N 2.89Å; Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 3.14Å; Y83-Q86 WeakPolarHBondContact O-CB 3.38Å; Y83-Q86 PolarHBondContact O-N 2.89Å; Y83-R87 HydrophobicContact CD1-CG 4.1Å; Y83-R87 HydrophobicContact CE1-CG 3.65Å; Y83-R87 PolarHBondContact O-N 3.09Å; Y83-R87 VanDerWaalsContact O-N 3.12Å; Y83-I245 HydrophobicContact CD2-CB 4.33Å; Y83-I245 HydrophobicContact CD2-CG1 3.93Å; Y83-I245 HydrophobicContact CD2-CG2 3.95Å; Y83-I245 HydrophobicContact CE2-CB 4.34Å; Y83-I245 HydrophobicContact CE2-CD1 4.14Å; Y83-I245 HydrophobicContact CE2-CG1 3.97Å; Y83-I245 HydrophobicContact CE2-CG2 3.63Å
84A98.4Very high97.5Very high0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-62.1-36.7177.200000112.2A43 L46 R47 M80 N81 D82 R87 E88A43-A84 WeakPolarHBondContact CB-O 3.37Å; L46-A84 HydrophobicContact CB-CB 3.69Å; L46-A84 HydrophobicContact CD1-CB 4.38Å; R47-A84 HydrophobicContact CB-CB 4.3Å; M80-A84 WeakPolarHBondContact O-CB 3.42Å; M80-A84 PolarHBondContact O-N 2.97Å; M80-A84 VanDerWaalsContact O-N 3.1Å; N81-A84 WeakPolarHBondContact O-CB 3.41Å; N81-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 2.77Å; A84-R87 PolarHBondContact O-N 3.1Å; A84-E88 PolarHBondContact O-N 3.47Å
85G98.1Very high97.7Very high19 Ų1941.1 Ų41.120%0.19621%0.209CC..Hα-helixtrans-62-37.2170.600000113.6N81 D82 Y83 R87 E88 L89N81-G85 PolarHBondContact O-N 2.73Å; D82-G85 PolarHBondContact O-N 3.01Å; D82-G85 VanDerWaalsContact O-N 3.16Å; Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 3.14Å; G85-R87 VanDerWaalsContact C-N 3.32Å; G85-R87 PolarHBondContact O-N 3.4Å; G85-E88 PolarHBondContact O-N 3.1Å; G85-L89 WeakPolarHBondContact O-CB 3.29Å; G85-L89 PolarHBondContact O-N 2.97Å
86Q98.3Very high97.8Very high38 Ų3844.8 Ų44.818%0.17823%0.226CC..Hα-helixtrans-67.1-31.4174.1-61.8-49.1-73.200113D82 Y83 I90 V241 I244 I245D82-Q86 PolarHBondContact O-N 3.4Å; Y83-Q86 WeakPolarHBondContact O-CB 3.38Å; Y83-Q86 PolarHBondContact O-N 2.89Å; Q86-I90 PolarHBondContact O-N 3.28Å; Q86-V241 HydrophobicContact CB-CB 4.2Å; Q86-V241 HydrophobicContact CB-CG1 4.5Å; Q86-I244 VanDerWaalsContact CD-CG2 3.46Å; Q86-I244 HydrophobicContact CG-CB 3.96Å; Q86-I244 HydrophobicContact CG-CG2 3.65Å; Q86-I245 HydrophobicContact CB-CD1 4.46Å; Q86-I245 HydrophobicContact CB-CG1 4.01Å; Q86-I245 HydrophobicContact CG-CG1 4.4Å
87R98.3Very high97.8Very high27 Ų2745.4 Ų45.410%0.10223%0.23CC..Hα-helixtrans-73-41.2174.8-63.5-45.5-621736.6112.1E39 Y42 A43 Y83 A84 G85 L89 I90 A91 E238E39-R87 VanDerWaalsContact CG-O 3.27Å; E39-R87 WeakPolarHBondContact CG-O 3.45Å; E39-R87 WeakPolarHBondContact OE1-CB 3.4Å; E39-R87 IonicContact OE1-CZ 2.65Å; E39-R87 IonicContact OE1-NE 3.32Å; E39-R87 PolarHBondContact OE1-NE 3.27Å; E39-R87 IonicContact OE1-NH2 2.72Å; E39-R87 PolarHBondContact OE1-NH2 2.77Å; E39-R87 VanDerWaalsContact OE1-NH2 3.12Å; E39-R87 IonicContact OE2-CZ 3Å; E39-R87 IonicContact OE2-NE 2.75Å; E39-R87 IonicContact OE2-NH2 2.94Å; E39-R87 PolarHBondContact OE2-NH2 2.63Å; Y42-R87 HydrophobicContact CD1-CG 4.27Å; Y42-R87 HydrophobicContact CE1-CG 4.04Å; A43-R87 HydrophobicContact CB-CB 4.13Å; Y83-R87 HydrophobicContact CD1-CG 4.1Å; Y83-R87 HydrophobicContact CE1-CG 3.65Å; Y83-R87 PolarHBondContact O-N 3.09Å; Y83-R87 VanDerWaalsContact O-N 3.12Å; A84-R87 PolarHBondContact O-N 3.1Å; G85-R87 VanDerWaalsContact C-N 3.32Å; G85-R87 PolarHBondContact O-N 3.4Å; R87-L89 PolarHBondContact O-N 2.91Å; R87-I90 WeakPolarHBondContact O-CB 3.26Å; R87-I90 PolarHBondContact O-N 3.21Å; R87-A91 PolarHBondContact O-N 3.38Å; R87-E238 IonicContact CZ-OE2 3.9Å; R87-E238 VanDerWaalsContact CZ-OE2 3.32Å; R87-E238 IonicContact NH1-OE2 3.68Å; R87-E238 PolarHBondContact NH1-OE2 3.43Å; R87-E238 IonicContact NH2-OE1 3.75Å; R87-E238 PolarHBondContact NH2-OE1 3.25Å; R87-E238 IonicContact NH2-OE2 2.85Å; R87-E238 PolarHBondContact NH2-OE2 3.05Å
88E97.8Very high97.9Very high58 Ų5844.8 Ų44.827%0.27123%0.227SC..Hα-helixtrans-59.3-44.8172.1-173.3169.4-111.700112.1A43 R47 A84 G85 I90 A91 E92A43-E88 HydrophobicContact CB-CB 4Å; R47-E88 IonicContact CZ-OE1 2.71Å; R47-E88 IonicContact CZ-OE2 3.77Å; R47-E88 IonicContact NH1-OE1 3.78Å; R47-E88 PolarHBondContact NH1-OE1 3.07Å; R47-E88 IonicContact NH1-OE2 3.76Å; R47-E88 PolarHBondContact NH1-OE2 3.49Å; R47-E88 IonicContact NH2-OE1 2.69Å; R47-E88 IonicContact NH2-OE2 3.92Å; R47-E88 PolarHBondContact NH2-OE2 2.89Å; A84-E88 PolarHBondContact O-N 3.47Å; G85-E88 PolarHBondContact O-N 3.1Å; E88-I90 VanDerWaalsContact C-N 3.25Å; E88-I90 PolarHBondContact O-N 3.41Å; E88-A91 WeakPolarHBondContact O-CA 3.49Å; E88-A91 WeakPolarHBondContact O-CB 3.35Å; E88-A91 PolarHBondContact O-N 2.87Å; E88-E92 PolarHBondContact O-N 3.26Å
89L98.2Very high98Very high64 Ų6442 Ų4234%0.33521%0.213SC..Hα-helixtrans-59.7-30.7177.3-176.263.4000113.4G85 R87 N93 V241G85-L89 WeakPolarHBondContact O-CB 3.29Å; G85-L89 PolarHBondContact O-N 2.97Å; R87-L89 PolarHBondContact O-N 2.91Å; L89-N93 VanDerWaalsContact CD1-ND2 3.31Å; L89-N93 WeakPolarHBondContact CD1-ND2 3.46Å; L89-N93 WeakPolarHBondContact O-CB 3.1Å; L89-N93 PolarHBondContact O-N 3.36Å; L89-N93 VanDerWaalsContact O-N 3.13Å; L89-N93 PolarHBondContact O-ND2 3.29Å; L89-V241 HydrophobicContact CD2-CG1 4.24Å
90I98.4Very high98Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-63.8-46.4171.1-72.9159.5000110.4Q86 R87 E88 N93 M94 T237 E238 V241Q86-I90 PolarHBondContact O-N 3.28Å; R87-I90 WeakPolarHBondContact O-CB 3.26Å; R87-I90 PolarHBondContact O-N 3.21Å; E88-I90 VanDerWaalsContact C-N 3.25Å; E88-I90 PolarHBondContact O-N 3.41Å; I90-N93 PolarHBondContact O-N 3.32Å; I90-M94 HydrophobicContact CG2-CE 3.74Å; I90-M94 HydrophobicContact CG2-CG 4.29Å; I90-M94 HydrophobicContact CG2-SD 3.88Å; I90-M94 WeakPolarHBondContact O-CB 3.33Å; I90-M94 WeakPolarHBondContact O-CG 3.47Å; I90-M94 PolarHBondContact O-N 3.47Å; I90-T237 HydrophobicContact CB-CG2 4.32Å; I90-T237 HydrophobicContact CG1-CG2 4.35Å; I90-T237 HydrophobicContact CG2-CG2 4.1Å; I90-E238 HydrophobicContact CD1-CG 4.48Å; I90-E238 VanDerWaalsContact CD1-OE2 3.27Å; I90-E238 WeakPolarHBondContact CD1-OE2 3.46Å; I90-E238 HydrophobicContact CG2-CG 4.37Å; I90-V241 HydrophobicContact CD1-CG2 3.42Å; I90-V241 VanDerWaalsContact CD1-CG2 3.42Å; I90-V241 HydrophobicContact CG1-CG1 4.15Å; I90-V241 HydrophobicContact CG1-CG2 3.72Å
91A98.3Very high98Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-63.8-46-177.300000111.6T36 E39 Q40 R87 E88 N93 M94 I95T36-A91 HydrophobicContact CG2-CB 4.44Å; E39-A91 HydrophobicContact CB-CB 4.05Å; E39-A91 HydrophobicContact CG-CB 4.23Å; Q40-A91 HydrophobicContact CG-CB 3.59Å; R87-A91 PolarHBondContact O-N 3.38Å; E88-A91 WeakPolarHBondContact O-CA 3.49Å; E88-A91 WeakPolarHBondContact O-CB 3.35Å; E88-A91 PolarHBondContact O-N 2.87Å; A91-N93 PolarHBondContact O-N 2.79Å; A91-M94 PolarHBondContact O-N 3.03Å; A91-I95 WeakPolarHBondContact O-CB 3.4Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.39Å; A91-I95 PolarHBondContact O-N 3.11Å
92E97.6Very high98.1Very high82 Ų8242.2 Ų42.238%0.38322%0.216SC..Hα-helixtrans-56.6-47.8174.6-66.7177.9159.300111.8E88 M94 I95 M96E88-E92 PolarHBondContact O-N 3.26Å; E92-M94 PolarHBondContact O-N 3.04Å; E92-I95 PolarHBondContact O-N 2.94Å; E92-M96 WeakPolarHBondContact O-CB 3.42Å; E92-M96 PolarHBondContact O-N 3Å
93N98Very high98.1Very high56 Ų5640.9 Ų40.930%0.29921%0.21SC..Hα-helixtrans-68.2-35-179.7-83.9-77.9000113.2L89 I90 A91 N97 T237L89-N93 VanDerWaalsContact CD1-ND2 3.31Å; L89-N93 WeakPolarHBondContact CD1-ND2 3.46Å; L89-N93 WeakPolarHBondContact O-CB 3.1Å; L89-N93 PolarHBondContact O-N 3.36Å; L89-N93 VanDerWaalsContact O-N 3.13Å; L89-N93 PolarHBondContact O-ND2 3.29Å; I90-N93 PolarHBondContact O-N 3.32Å; A91-N93 PolarHBondContact O-N 2.79Å; N93-N97 WeakPolarHBondContact CA-ND2 3.46Å; N93-N97 VanDerWaalsContact O-CB 3.29Å; N93-N97 WeakPolarHBondContact O-CB 3.41Å; N93-N97 PolarHBondContact O-N 3.14Å; N93-N97 PolarHBondContact O-ND2 3.38Å; N93-N97 PolarHBondContact OD1-ND2 2.77Å; N93-T237 HydrophobicContact CB-CG2 3.58Å
94M98.5Very high98.1Very high1 Ų144.9 Ų44.91%0.00523%0.229CC..Hα-helixtrans-69.9-40.6173.8-76.6-176.1177.500111.6V32 R35 T36 I90 A91 E92 I98 C99 F234 T237 E238V32-M94 HydrophobicContact CG1-CB 4.03Å; V32-M94 HydrophobicContact CG1-CG 4.5Å; R35-M94 HydrophobicContact CG-SD 4.49Å; T36-M94 HydrophobicContact CG2-CB 3.31Å; T36-M94 HydrophobicContact CG2-CG 4.27Å; T36-M94 HydrophobicContact CG2-SD 4.09Å; I90-M94 HydrophobicContact CG2-CE 3.74Å; I90-M94 HydrophobicContact CG2-CG 4.29Å; I90-M94 HydrophobicContact CG2-SD 3.88Å; I90-M94 WeakPolarHBondContact O-CB 3.33Å; I90-M94 WeakPolarHBondContact O-CG 3.47Å; I90-M94 PolarHBondContact O-N 3.47Å; A91-M94 PolarHBondContact O-N 3.03Å; E92-M94 PolarHBondContact O-N 3.04Å; M94-I98 HydrophobicContact CB-CD1 4.44Å; M94-I98 HydrophobicContact CG-CD1 4.14Å; M94-I98 WeakPolarHBondContact O-CA 3.27Å; M94-I98 VanDerWaalsContact O-CB 3.27Å; M94-I98 WeakPolarHBondContact O-CB 3.44Å; M94-I98 PolarHBondContact O-N 2.87Å; M94-I98 VanDerWaalsContact O-N 3.16Å; M94-C99 PolarHBondContact O-N 3.33Å; M94-F234 HydrophobicContact CE-CD1 4.06Å; M94-F234 HydrophobicContact CE-CD2 3.69Å; M94-F234 HydrophobicContact CE-CE1 4.02Å; M94-F234 HydrophobicContact CE-CE2 3.67Å; M94-F234 HydrophobicContact CE-CG 3.89Å; M94-F234 HydrophobicContact CE-CZ 3.84Å; M94-F234 HydrophobicContact SD-CD2 4Å; M94-F234 HydrophobicContact SD-CE2 3.82Å; M94-F234 HydrophobicContact SD-CZ 4.41Å; M94-T237 HydrophobicContact CG-CG2 4.16Å; M94-E238 HydrophobicContact CE-CG 3.91Å
95I98.3Very high98.1Very high50 Ų5047.3 Ų47.326%0.25624%0.238SC..Iπ-helixtrans-61.2-53.4174.1-70.6164.8000110.2T36 A91 E92 C99 I100T36-I95 HydrophobicContact CG2-CG1 4.05Å; T36-I95 WeakPolarHBondContact OG1-CG1 3.48Å; A91-I95 WeakPolarHBondContact O-CB 3.4Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.39Å; A91-I95 PolarHBondContact O-N 3.11Å; E92-I95 PolarHBondContact O-N 2.94Å; I95-C99 WeakPolarHBondContact O-CB 3.33Å; I95-C99 PolarHBondContact O-N 3.24Å; I95-I100 HydrophobicContact CG2-CD1 4.21Å; I95-I100 HydrophobicContact CG2-CG1 4.48Å; I95-I100 WeakPolarHBondContact O-CG1 3.43Å; I95-I100 PolarHBondContact O-N 3.48Å
96M96.1Very high98.1Very high124 Ų12446.9 Ų46.961%0.61123%0.232SC*.Iπ-helixtrans-70.2-53.6-173.2-170.9179.3-65.500112.4E92E92-M96 WeakPolarHBondContact O-CB 3.42Å; E92-M96 PolarHBondContact O-N 3Å
97N97.3Very high98.1Very high63 Ų6351.2 Ų51.234%0.33725%0.252SS..Iπ-helixtrans-90.6-11.4-168.7-49.9-72.6000113.8N93 L233N93-N97 WeakPolarHBondContact CA-ND2 3.46Å; N93-N97 VanDerWaalsContact O-CB 3.29Å; N93-N97 WeakPolarHBondContact O-CB 3.41Å; N93-N97 PolarHBondContact O-N 3.14Å; N93-N97 PolarHBondContact O-ND2 3.38Å; N93-N97 PolarHBondContact OD1-ND2 2.77Å; N97-L233 HydrophobicContact CB-CD2 3.89Å; N97-L233 VanDerWaalsContact O-CD2 3.26Å; N97-L233 WeakPolarHBondContact O-CD2 3.25Å
98I98.4Very high98.1Very high1 Ų154.5 Ų54.51%0.00527%0.268CS..Iπ-helixtrans-116.9-60.8175.8-48.2175.3000110.4Y28 V32 M94 L102 L233 F234Y28-I98 HydrophobicContact CE1-CG2 3.84Å; V32-I98 HydrophobicContact CG1-CB 4.34Å; V32-I98 HydrophobicContact CG1-CD1 4.37Å; V32-I98 HydrophobicContact CG1-CG2 4.29Å; V32-I98 HydrophobicContact CG2-CG2 4.29Å; M94-I98 HydrophobicContact CB-CD1 4.44Å; M94-I98 HydrophobicContact CG-CD1 4.14Å; M94-I98 WeakPolarHBondContact O-CA 3.27Å; M94-I98 VanDerWaalsContact O-CB 3.27Å; M94-I98 WeakPolarHBondContact O-CB 3.44Å; M94-I98 PolarHBondContact O-N 2.87Å; M94-I98 VanDerWaalsContact O-N 3.16Å; I98-L102 HydrophobicContact CG2-CD1 3.7Å; I98-L102 HydrophobicContact CG2-CG 4.37Å; I98-L102 WeakPolarHBondContact O-CB 3.32Å; I98-L102 VanDerWaalsContact O-CG 3.26Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.5Å; I98-L233 HydrophobicContact CD1-CG 4.27Å; I98-L233 HydrophobicContact CG1-CB 4.44Å; I98-L233 HydrophobicContact CG1-CD2 3.91Å; I98-L233 HydrophobicContact CG1-CG 3.93Å; I98-F234 HydrophobicContact CD1-CB 3.85Å; I98-F234 HydrophobicContact CD1-CD2 4.31Å
99C98.5Very high98.1Very high10 Ų1051.9 Ų51.97%0.06826%0.256CS..Iπ-helixtrans-65.7-49.3-171.9-62.30000112.7V29 M94 I95 T103V29-C99 HydrophobicContact CG1-CB 4.37Å; M94-C99 PolarHBondContact O-N 3.33Å; I95-C99 WeakPolarHBondContact O-CB 3.33Å; I95-C99 PolarHBondContact O-N 3.24Å; C99-T103 WeakPolarHBondContact O-CB 3.46Å; C99-T103 PolarHBondContact O-N 3.04Å; C99-T103 PolarHBondContact O-OG1 3.18Å
100I98.4Very high98.1Very high105 Ų10552.9 Ų52.954%0.53826%0.258SS..Iπ-helixtrans-70.2-48.9-178.6-64.9175.6000111.1I95 T103 K104I95-I100 HydrophobicContact CG2-CD1 4.21Å; I95-I100 HydrophobicContact CG2-CG1 4.48Å; I95-I100 WeakPolarHBondContact O-CG1 3.43Å; I95-I100 PolarHBondContact O-N 3.48Å; I100-T103 PolarHBondContact O-N 3.29Å; I100-K104 PolarHBondContact O-N 3.03Å
101D97.9Very high98.1Very high56 Ų5657.9 Ų57.930%0.29928%0.281SS..Hα-helixtrans-57.4-49.9178.6172.656.5000112.9K104 Y105 K226D101-K104 PolarHBondContact O-N 3.18Å; D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.07Å; D101-K226 IonicContact OD1-NZ 2.82Å; D101-K226 PolarHBondContact OD1-NZ 2.95Å; D101-K226 WeakPolarHBondContact OD2-CE 3.29Å; D101-K226 IonicContact OD2-NZ 2.65Å; D101-K226 PolarHBondContact OD2-NZ 3.49Å
102L98.4Very high98.1Very high3 Ų359.7 Ų59.72%0.01629%0.29CS..Hα-helixtrans-68.5-35177.7-66-177.9000112.4V25 Y28 V29 I98 Y105 L106 K226V25-L102 HydrophobicContact CG1-CB 4.44Å; Y28-L102 HydrophobicContact CD1-CD1 3.77Å; Y28-L102 HydrophobicContact CE1-CD1 3.87Å; V29-L102 HydrophobicContact CG2-CB 3.56Å; V29-L102 HydrophobicContact CG2-CD1 4.1Å; V29-L102 HydrophobicContact CG2-CG 4.48Å; I98-L102 HydrophobicContact CG2-CD1 3.7Å; I98-L102 HydrophobicContact CG2-CG 4.37Å; I98-L102 WeakPolarHBondContact O-CB 3.32Å; I98-L102 VanDerWaalsContact O-CG 3.26Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.5Å; L102-Y105 PolarHBondContact O-N 3.26Å; L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 3.48Å; L102-K226 HydrophobicContact CD2-CD 4.34Å; L102-K226 HydrophobicContact CD2-CG 3.67Å
103T98.6Very high98.2Very high55 Ų5557.1 Ų57.134%0.33728%0.276SS..Hα-helixtrans-63.8-44176-62.30000111.5V29 C99 I100 Q107V29-T103 WeakPolarHBondContact CG1-OG1 3.44Å; C99-T103 WeakPolarHBondContact O-CB 3.46Å; C99-T103 PolarHBondContact O-N 3.04Å; C99-T103 PolarHBondContact O-OG1 3.18Å; I100-T103 PolarHBondContact O-N 3.29Å; T103-Q107 WeakPolarHBondContact O-CG 3.27Å; T103-Q107 PolarHBondContact O-N 2.94Å
104K98.3Very high98.2Very high131 Ų13160.9 Ų60.957%0.5729%0.29SS*.Hα-helixtrans-62.4-51.7176-178.2-176.7173.5-174.60111I100 D101 L106 Q107 E108I100-K104 PolarHBondContact O-N 3.03Å; D101-K104 PolarHBondContact O-N 3.18Å; K104-L106 VanDerWaalsContact C-N 3.27Å; K104-L106 PolarHBondContact O-N 3.48Å; K104-Q107 WeakPolarHBondContact O-CB 3.36Å; K104-Q107 PolarHBondContact O-N 3.34Å; K104-E108 VanDerWaalsContact CE-OE1 3.22Å; K104-E108 WeakPolarHBondContact CE-OE1 3.49Å; K104-E108 PolarHBondContact O-N 3.36Å
105Y98.3Very high98.2Very high50 Ų5063.4 Ų63.420%0.19631%0.305CS..Hα-helixtrans-62.1-34.8-178.9-169-113.8000112.8D101 L102 Q107 E108 L109 K226D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.07Å; L102-Y105 PolarHBondContact O-N 3.26Å; Y105-Q107 VanDerWaalsContact C-N 3.34Å; Y105-Q107 PolarHBondContact O-N 3.19Å; Y105-E108 WeakPolarHBondContact O-CB 3.35Å; Y105-E108 PolarHBondContact O-N 3.32Å; Y105-L109 HydrophobicContact CD1-CD1 3.68Å; Y105-L109 HydrophobicContact CD1-CG 4.1Å; Y105-L109 HydrophobicContact CE1-CD1 3.54Å; Y105-L109 HydrophobicContact CE1-CD2 4.12Å; Y105-L109 HydrophobicContact CE1-CG 3.9Å; Y105-L109 WeakPolarHBondContact O-CG 3.41Å; Y105-L109 PolarHBondContact O-N 2.94Å; Y105-K226 HydrophobicContact CD1-CB 4.06Å; Y105-K226 HydrophobicContact CD1-CD 4.24Å; Y105-K226 HydrophobicContact CD1-CG 3.57Å; Y105-K226 HydrophobicContact CE1-CB 3.72Å; Y105-K226 HydrophobicContact CE1-CD 4.41Å; Y105-K226 HydrophobicContact CE1-CG 3.74Å; Y105-K226 HydrophobicContact CG-CG 4.3Å
106L98.3Very high98.2Very high11 Ų1163.2 Ų63.26%0.05830%0.302CS..Hα-helixtrans-61.2-38.9172.917471.8000112.6L22 V25 E26 L102 K104 K110L22-L106 HydrophobicContact CB-CD1 3.97Å; L22-L106 HydrophobicContact CD2-CD1 3.77Å; L22-L106 HydrophobicContact CG-CD1 4.44Å; V25-L106 HydrophobicContact CB-CD1 4.27Å; V25-L106 HydrophobicContact CG1-CB 4.44Å; V25-L106 HydrophobicContact CG1-CD1 4.31Å; E26-L106 HydrophobicContact CG-CD1 4.38Å; E26-L106 HydrophobicContact CG-CD2 3.31Å; E26-L106 HydrophobicContact CG-CG 4.45Å; L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 3.48Å; K104-L106 VanDerWaalsContact C-N 3.27Å; K104-L106 PolarHBondContact O-N 3.48Å; L106-K110 HydrophobicContact CD1-CG 4.48Å; L106-K110 HydrophobicContact CG-CD 4.31Å; L106-K110 WeakPolarHBondContact O-CB 3.4Å; L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.4Å; L106-K110 PolarHBondContact O-N 2.72Å
107Q98.3Very high98.4Very high129 Ų12957.7 Ų57.760%0.60328%0.275SS*.Hα-helixtrans-65.7-41.7176.6-68.1176.68.200111.4T103 K104 Y105 K110 Q111T103-Q107 WeakPolarHBondContact O-CG 3.27Å; T103-Q107 PolarHBondContact O-N 2.94Å; K104-Q107 WeakPolarHBondContact O-CB 3.36Å; K104-Q107 PolarHBondContact O-N 3.34Å; Y105-Q107 VanDerWaalsContact C-N 3.34Å; Y105-Q107 PolarHBondContact O-N 3.19Å; Q107-K110 PolarHBondContact O-N 3.37Å; Q107-Q111 PolarHBondContact O-N 3.43Å; Q107-Q111 VanDerWaalsContact O-N 3.15Å
108E98.1Very high98.4Very high96 Ų9660.4 Ų60.445%0.44929%0.289SS..Hα-helixtrans-59.1-53174.7-64.3168.4-172.900110.5K104 Y105 K110 Q111 E112K104-E108 VanDerWaalsContact CE-OE1 3.22Å; K104-E108 WeakPolarHBondContact CE-OE1 3.49Å; K104-E108 PolarHBondContact O-N 3.36Å; Y105-E108 WeakPolarHBondContact O-CB 3.35Å; Y105-E108 PolarHBondContact O-N 3.32Å; E108-K110 VanDerWaalsContact C-N 3.34Å; E108-K110 PolarHBondContact O-N 3.02Å; E108-Q111 PolarHBondContact O-N 2.93Å; E108-E112 WeakPolarHBondContact O-CB 3.23Å; E108-E112 PolarHBondContact O-N 3.26Å
109L98.4Very high98.4Very high2 Ų263.4 Ų63.41%0.0130%0.303CS..Hα-helixtrans-60.5-37.3177.3-68.6175.2000113.4L22 Y105 E112 R113 L219 R223L22-L109 HydrophobicContact CD2-CB 3.82Å; L22-L109 HydrophobicContact CD2-CD1 4.13Å; Y105-L109 HydrophobicContact CD1-CD1 3.68Å; Y105-L109 HydrophobicContact CD1-CG 4.1Å; Y105-L109 HydrophobicContact CE1-CD1 3.54Å; Y105-L109 HydrophobicContact CE1-CD2 4.12Å; Y105-L109 HydrophobicContact CE1-CG 3.9Å; Y105-L109 WeakPolarHBondContact O-CG 3.41Å; Y105-L109 PolarHBondContact O-N 2.94Å; L109-E112 PolarHBondContact O-N 3.41Å; L109-R113 VanDerWaalsContact O-CB 3.27Å; L109-R113 WeakPolarHBondContact O-CB 3.34Å; L109-R113 PolarHBondContact O-N 2.98Å; L109-L219 HydrophobicContact CB-CD2 4.48Å; L109-L219 HydrophobicContact CD2-CD2 3.93Å; L109-L219 HydrophobicContact CD2-CG 3.88Å; L109-R223 HydrophobicContact CD1-CB 3.77Å; L109-R223 HydrophobicContact CD1-CG 3.8Å
110K98.6Very high98.4Very high86 Ų8662.9 Ų62.937%0.37430%0.299SS..Hα-helixtrans-61.7-44.7176.3-83.8176.8176.2-175.20111.6L22 E26 L106 Q107 E108 K114L22-K110 HydrophobicContact CD1-CG 4.16Å; E26-K110 WeakPolarHBondContact OE1-CE 3.27Å; E26-K110 IonicContact OE1-NZ 3.7Å; E26-K110 PolarHBondContact OE1-NZ 2.86Å; E26-K110 IonicContact OE2-NZ 2.74Å; L106-K110 HydrophobicContact CD1-CG 4.48Å; L106-K110 HydrophobicContact CG-CD 4.31Å; L106-K110 WeakPolarHBondContact O-CB 3.4Å; L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.4Å; L106-K110 PolarHBondContact O-N 2.72Å; Q107-K110 PolarHBondContact O-N 3.37Å; E108-K110 VanDerWaalsContact C-N 3.34Å; E108-K110 PolarHBondContact O-N 3.02Å; K110-K114 VanDerWaalsContact O-CB 3.29Å; K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.46Å
111Q98.4Very high98.4Very high105 Ų10561.3 Ų61.349%0.49129%0.288SS..Hα-helixtrans-73.4-35.7179.3179.651.244.500111.9Q107 E108 T115Q107-Q111 PolarHBondContact O-N 3.43Å; Q107-Q111 VanDerWaalsContact O-N 3.15Å; E108-Q111 PolarHBondContact O-N 2.93Å; Q111-T115 PolarHBondContact NE2-OG1 3.22Å; Q111-T115 PolarHBondContact O-N 3.05Å; Q111-T115 VanDerWaalsContact O-N 3.1Å; Q111-T115 PolarHBondContact O-OG1 3.31Å
112E98.3Very high98.4Very high38 Ų3866.1 Ų66.118%0.17831%0.307CS..Hα-helixtrans-60.8-54172.7-166.4-170.1164.800111.2E108 L109 K114 T115 Y116 L219 R222E108-E112 WeakPolarHBondContact O-CB 3.23Å; E108-E112 PolarHBondContact O-N 3.26Å; L109-E112 PolarHBondContact O-N 3.41Å; E112-K114 VanDerWaalsContact C-N 3.34Å; E112-K114 PolarHBondContact O-N 3.01Å; E112-T115 WeakPolarHBondContact O-CA 3.3Å; E112-T115 WeakPolarHBondContact O-CB 3.47Å; E112-T115 PolarHBondContact O-N 3.47Å; E112-Y116 HydrophobicContact CG-CD2 4.31Å; E112-Y116 HydrophobicContact CG-CE2 3.55Å; E112-Y116 PolarHBondContact O-N 3.38Å; E112-Y116 VanDerWaalsContact O-N 3.12Å; E112-Y116 WeakPolarHBondContact OE1-CE2 3.17Å; E112-Y116 PolarHBondContact OE1-OH 3.42Å; E112-L219 HydrophobicContact CB-CD1 3.9Å; E112-L219 HydrophobicContact CG-CD1 3.76Å; E112-R222 IonicContact OE1-CZ 3.97Å; E112-R222 IonicContact OE1-NH1 3.83Å; E112-R222 PolarHBondContact OE1-NH1 3.27Å; E112-R222 IonicContact OE1-NH2 2.79Å; E112-R222 PolarHBondContact OE1-NH2 2.91Å; E112-R222 IonicContact OE2-CZ 3.72Å; E112-R222 IonicContact OE2-NH1 3.66Å; E112-R222 PolarHBondContact OE2-NH1 2.98Å; E112-R222 IonicContact OE2-NH2 2.73Å
113R98.7Very high98.3Very high28 Ų2866.6 Ų66.611%0.10631%0.311CS..Hα-helixtrans-56.6-45.2177.1176.7-178.7168-96.1-7.6112E15 T18 L109 T115 Y116 L117 L216 L219E15-R113 PolarHBondContact O-NH2 2.95Å; T18-R113 PolarHBondContact OG1-NE 3.25Å; L109-R113 VanDerWaalsContact O-CB 3.27Å; L109-R113 WeakPolarHBondContact O-CB 3.34Å; L109-R113 PolarHBondContact O-N 2.98Å; R113-T115 PolarHBondContact O-N 2.65Å; R113-Y116 PolarHBondContact O-N 3Å; R113-L117 HydrophobicContact CG-CD1 3.69Å; R113-L117 HydrophobicContact CG-CG 4.3Å; R113-L117 WeakPolarHBondContact O-CB 3.45Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3Å; R113-L216 HydrophobicContact CG-CD2 4.23Å; R113-L219 HydrophobicContact CB-CD1 3.84Å
114K98.6Very high98.3Very high135 Ų13566.9 Ų66.959%0.58731%0.309SS*.Hα-helixtrans-58.5-36176.5178.9-178.9173-170.90112.2K110 E112 L118K110-K114 VanDerWaalsContact O-CB 3.29Å; K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.46Å; E112-K114 VanDerWaalsContact C-N 3.34Å; E112-K114 PolarHBondContact O-N 3.01Å; K114-L118 WeakPolarHBondContact O-CB 3.5Å; K114-L118 PolarHBondContact O-N 3.24Å
115T98.6Very high98.3Very high53 Ų5367.2 Ų67.233%0.32531%0.312SS..Hα-helixtrans-68.7-48.9178.3-54.30000110.7Q111 E112 R113 L118 E119Q111-T115 PolarHBondContact NE2-OG1 3.22Å; Q111-T115 PolarHBondContact O-N 3.05Å; Q111-T115 VanDerWaalsContact O-N 3.1Å; Q111-T115 PolarHBondContact O-OG1 3.31Å; E112-T115 WeakPolarHBondContact O-CA 3.3Å; E112-T115 WeakPolarHBondContact O-CB 3.47Å; E112-T115 PolarHBondContact O-N 3.47Å; R113-T115 PolarHBondContact O-N 2.65Å; T115-L118 WeakPolarHBondContact O-CB 3.4Å; T115-L118 PolarHBondContact O-N 2.72Å; T115-E119 PolarHBondContact O-N 2.81Å
116Y98.7Very high98.2Very high46 Ų4667.2 Ų67.218%0.1832%0.32CS..Hα-helixtrans-69.1-36.4-178.9-57.4-21.6000113.3E112 R113 L118 E119 A120 I212 K215 L216 L219E112-Y116 HydrophobicContact CG-CD2 4.31Å; E112-Y116 HydrophobicContact CG-CE2 3.55Å; E112-Y116 PolarHBondContact O-N 3.38Å; E112-Y116 VanDerWaalsContact O-N 3.12Å; E112-Y116 WeakPolarHBondContact OE1-CE2 3.17Å; E112-Y116 PolarHBondContact OE1-OH 3.42Å; R113-Y116 PolarHBondContact O-N 3Å; Y116-L118 VanDerWaalsContact C-N 3.27Å; Y116-L118 PolarHBondContact O-N 3.48Å; Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.49Å; Y116-A120 PolarHBondContact O-N 2.97Å; Y116-I212 VanDerWaalsContact O-CG2 3.3Å; Y116-I212 WeakPolarHBondContact O-CG2 3.19Å; Y116-K215 HydrophobicContact CD1-CD 3.77Å; Y116-K215 HydrophobicContact CD2-CB 3.69Å; Y116-K215 HydrophobicContact CD2-CD 4.32Å; Y116-K215 HydrophobicContact CE1-CD 3.65Å; Y116-K215 HydrophobicContact CE2-CB 3.58Å; Y116-K215 HydrophobicContact CE2-CD 4.18Å; Y116-K215 HydrophobicContact CE2-CG 4.33Å; Y116-K215 HydrophobicContact CG-CB 4.22Å; Y116-K215 HydrophobicContact CG-CD 4.13Å; Y116-L216 HydrophobicContact CD2-CD2 4.19Å; Y116-L216 HydrophobicContact CD2-CG 4.29Å; Y116-L219 HydrophobicContact CD2-CD1 4.2Å; Y116-L219 HydrophobicContact CE2-CD1 4.26Å
117L98.4Very high98.2Very high9 Ų967.3 Ų67.35%0.04732%0.32CS..Hα-helixtrans-66.9-29.1173.4-68171.3000112.5Y11 E15 R113 K121 L216Y11-L117 HydrophobicContact CE2-CD2 3.95Å; Y11-L117 PolarHBondContact OH-O 2.75Å; E15-L117 HydrophobicContact CB-CD2 4.09Å; E15-L117 HydrophobicContact CG-CD1 4.08Å; E15-L117 HydrophobicContact CG-CD2 4.27Å; R113-L117 HydrophobicContact CG-CD1 3.69Å; R113-L117 HydrophobicContact CG-CG 4.3Å; R113-L117 WeakPolarHBondContact O-CB 3.45Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3Å; L117-K121 WeakPolarHBondContact O-CB 3.13Å; L117-K121 PolarHBondContact O-N 2.71Å; L117-L216 HydrophobicContact CD2-CD1 4.06Å
118L98.4Very high98.2Very high120 Ų12065.4 Ų65.463%0.62831%0.311SS*.Hα-helixtrans-74.3-38.2172.1-178.462.3000112.2K114 T115 Y116 K121 K122K114-L118 WeakPolarHBondContact O-CB 3.5Å; K114-L118 PolarHBondContact O-N 3.24Å; T115-L118 WeakPolarHBondContact O-CB 3.4Å; T115-L118 PolarHBondContact O-N 2.72Å; Y116-L118 VanDerWaalsContact C-N 3.27Å; Y116-L118 PolarHBondContact O-N 3.48Å; L118-K121 PolarHBondContact O-N 3.44Å; L118-K122 VanDerWaalsContact O-CB 3.32Å; L118-K122 WeakPolarHBondContact O-CB 3.48Å; L118-K122 PolarHBondContact O-N 3.22Å
119E98.3Very high98.2Very high63 Ų6363.6 Ų63.629%0.29431%0.309SS..Hα-helixtrans-56.7-49.1170.7-71.3175.8-160.500110.9T115 Y116 K122 A123 I212 K215T115-E119 PolarHBondContact O-N 2.81Å; Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.49Å; E119-K122 WeakPolarHBondContact O-CB 3.27Å; E119-K122 PolarHBondContact O-N 3.1Å; E119-A123 PolarHBondContact O-N 3.07Å; E119-I212 HydrophobicContact CB-CD1 3.86Å; E119-I212 HydrophobicContact CB-CG1 4.15Å; E119-K215 IonicContact OE1-NZ 2.69Å; E119-K215 PolarHBondContact OE1-NZ 3.35Å; E119-K215 IonicContact OE2-NZ 3.34Å; E119-K215 PolarHBondContact OE2-NZ 3.13Å
120A98.1Very high98.2Very high0 Ų064 Ų640%031%0.312CS..Hα-helixtrans-63-46.817800000112.7Y11 Y116 K122 A123 Q124 M209 I212Y11-A120 HydrophobicContact CD2-CB 4.14Å; Y11-A120 HydrophobicContact CE2-CB 3.58Å; Y116-A120 PolarHBondContact O-N 2.97Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 3.12Å; A120-A123 PolarHBondContact O-N 3.39Å; A120-A123 VanDerWaalsContact O-N 3.14Å; A120-Q124 WeakPolarHBondContact O-CG 3.49Å; A120-Q124 PolarHBondContact O-N 3.01Å; A120-M209 HydrophobicContact CB-CE 4.14Å; A120-M209 HydrophobicContact CB-SD 4.15Å; A120-I212 HydrophobicContact CB-CD1 4.46Å; A120-I212 HydrophobicContact CB-CG2 3.97Å
121K98.1Very high98.2Very high71 Ų7165 Ų6531%0.30931%0.314SS..Hα-helixtrans-61.5-33.3176.9-83.9164.2172.2148.40112.1Y11 E15 L117 L118 Q125Y11-K121 VanDerWaalsContact OH-CD 3.26Å; Y11-K121 WeakPolarHBondContact OH-CD 3.32Å; Y11-K121 WeakPolarHBondContact OH-CE 3.3Å; Y11-K121 WeakPolarHBondContact OH-CG 3.24Å; Y11-K121 PolarHBondContact OH-NZ 3.46Å; E15-K121 IonicContact OE1-NZ 2.68Å; E15-K121 PolarHBondContact OE1-NZ 3Å; E15-K121 IonicContact OE2-NZ 2.86Å; E15-K121 PolarHBondContact OE2-NZ 3.3Å; L117-K121 WeakPolarHBondContact O-CB 3.13Å; L117-K121 PolarHBondContact O-N 2.71Å; L118-K121 PolarHBondContact O-N 3.44Å; K121-Q125 WeakPolarHBondContact O-CB 3.24Å; K121-Q125 WeakPolarHBondContact O-CG 3.02Å; K121-Q125 PolarHBondContact O-N 3.03Å; K121-Q125 VanDerWaalsContact O-N 3.14Å
122K98.2Very high98.2Very high157 Ų15765.5 Ų65.568%0.68331%0.314SS*.Hα-helixtrans-69.2-43.2172.5-176.1-175.8175.9-171.60112.3L118 E119 A120 Q125 S126L118-K122 VanDerWaalsContact O-CB 3.32Å; L118-K122 WeakPolarHBondContact O-CB 3.48Å; L118-K122 PolarHBondContact O-N 3.22Å; E119-K122 WeakPolarHBondContact O-CB 3.27Å; E119-K122 PolarHBondContact O-N 3.1Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 3.12Å; K122-Q125 PolarHBondContact O-N 2.69Å; K122-S126 PolarHBondContact O-N 3.12Å
123A97.5Very high98.2Very high13 Ų1367.4 Ų67.411%0.10732%0.323CS..Hα-helixtrans-62.1-45.917700000111.5E119 A120 Q125 S126 L127 F204 M209E119-A123 PolarHBondContact O-N 3.07Å; A120-A123 PolarHBondContact O-N 3.39Å; A120-A123 VanDerWaalsContact O-N 3.14Å; A123-Q125 VanDerWaalsContact C-N 3.32Å; A123-Q125 PolarHBondContact O-N 3.11Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 2.94Å; A123-S126 VanDerWaalsContact O-N 3.13Å; A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.11Å; A123-F204 HydrophobicContact CB-CD2 3.88Å; A123-F204 HydrophobicContact CB-CE2 3.84Å; A123-M209 HydrophobicContact CB-SD 4.43Å
124Q97.8Very high98.2Very high62 Ų6266.8 Ų66.829%0.2932%0.322SS..Hα-helixtrans-57.2-44.3174.9-71.9167.7-14.100111.7A120 S126 L127 E128 F204A120-Q124 WeakPolarHBondContact O-CG 3.49Å; A120-Q124 PolarHBondContact O-N 3.01Å; Q124-S126 VanDerWaalsContact C-N 3.35Å; Q124-S126 PolarHBondContact O-N 3.25Å; Q124-L127 PolarHBondContact O-N 2.99Å; Q124-E128 WeakPolarHBondContact O-CB 3.31Å; Q124-E128 PolarHBondContact O-N 2.91Å; Q124-F204 HydrophobicContact CB-CE2 4.45Å; Q124-F204 HydrophobicContact CG-CE2 3.95Å; Q124-F204 HydrophobicContact CG-CZ 3.86Å
125Q98Very high98.2Very high137 Ų13762.5 Ų62.564%0.6431%0.305SS*.Hα-helixtrans-66.2-32.4177.4-73.6169.316.600113.2K121 K122 A123 S129K121-Q125 WeakPolarHBondContact O-CB 3.24Å; K121-Q125 WeakPolarHBondContact O-CG 3.02Å; K121-Q125 PolarHBondContact O-N 3.03Å; K121-Q125 VanDerWaalsContact O-N 3.14Å; K122-Q125 PolarHBondContact O-N 2.69Å; A123-Q125 VanDerWaalsContact C-N 3.32Å; A123-Q125 PolarHBondContact O-N 3.11Å; Q125-S129 WeakPolarHBondContact O-CB 3.34Å; Q125-S129 PolarHBondContact O-N 3.31Å
126S97.3Very high98.2Very high51 Ų5163.5 Ų63.536%0.35732%0.315SS..Hα-helixtrans-67.1-47174.8-156.50000111.5K122 A123 Q124 S129 T130 E200K122-S126 PolarHBondContact O-N 3.12Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 2.94Å; A123-S126 VanDerWaalsContact O-N 3.13Å; Q124-S126 VanDerWaalsContact C-N 3.35Å; Q124-S126 PolarHBondContact O-N 3.25Å; S126-S129 PolarHBondContact O-N 3.1Å; S126-T130 PolarHBondContact O-N 2.91Å; S126-T130 PolarHBondContact O-OG1 3.49Å; S126-T130 VanDerWaalsContact O-OG1 3.12Å; S126-E200 WeakPolarHBondContact CB-OE1 3.36Å; S126-E200 PolarHBondContact OG-OE1 2.89Å
127L98Very high98.2Very high13 Ų1362 Ų627%0.06831%0.311CS..Hα-helixtrans-63.9-43.3178.3-172.864.6000112A123 Q124 S129 T130 Y131 Y197 E200 Q201 F204 Y205A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.11Å; Q124-L127 PolarHBondContact O-N 2.99Å; L127-S129 PolarHBondContact O-N 3.31Å; L127-T130 PolarHBondContact O-N 3.22Å; L127-T130 PolarHBondContact O-OG1 3.38Å; L127-Y131 WeakPolarHBondContact O-CB 3.45Å; L127-Y131 PolarHBondContact O-N 2.94Å; L127-Y197 HydrophobicContact CD1-CD2 4.13Å; L127-Y197 HydrophobicContact CD1-CE2 3.45Å; L127-Y197 VanDerWaalsContact CD1-CE2 3.45Å; L127-Y197 HydrophobicContact CG-CE2 4.11Å; L127-E200 HydrophobicContact CD1-CB 4.36Å; L127-E200 HydrophobicContact CD1-CG 4.22Å; L127-Q201 HydrophobicContact CD1-CB 3.95Å; L127-F204 HydrophobicContact CB-CD2 4.34Å; L127-F204 HydrophobicContact CB-CG 4.44Å; L127-F204 HydrophobicContact CD2-CB 4.17Å; L127-F204 HydrophobicContact CD2-CD1 3.54Å; L127-F204 HydrophobicContact CD2-CD2 4.32Å; L127-F204 HydrophobicContact CD2-CE1 3.93Å; L127-F204 HydrophobicContact CD2-CG 3.75Å; L127-F204 HydrophobicContact CD2-CZ 4.48Å; L127-Y205 HydrophobicContact CD2-CE2 4.14Å
128E98.1Very high98.2Very high88 Ų8865.4 Ų65.441%0.41133%0.325SS..Hα-helixtrans-66.1-35.9176.9175.860.1-172.100112.4Q124 K132Q124-E128 WeakPolarHBondContact O-CB 3.31Å; Q124-E128 PolarHBondContact O-N 2.91Å; E128-K132 HydrophobicContact CG-CD 4.39Å; E128-K132 WeakPolarHBondContact O-CB 3.46Å; E128-K132 WeakPolarHBondContact O-CG 3.4Å; E128-K132 PolarHBondContact O-N 2.92Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 2.71Å; E128-K132 PolarHBondContact OE1-NZ 2.96Å
129S98.3Very high98.2Very high58 Ų5865 Ų6541%0.40632%0.318SS..Hα-helixtrans-67.4-42.5175.2-1760000112.2Q125 S126 L127 K132 Q133Q125-S129 WeakPolarHBondContact O-CB 3.34Å; Q125-S129 PolarHBondContact O-N 3.31Å; S126-S129 PolarHBondContact O-N 3.1Å; L127-S129 PolarHBondContact O-N 3.31Å; S129-K132 PolarHBondContact O-N 3.4Å; S129-Q133 WeakPolarHBondContact O-CG 3.37Å; S129-Q133 PolarHBondContact O-N 2.95Å; S129-Q133 PolarHBondContact O-NE2 3.26Å
130T98Very high98.2Very high10 Ų1066.8 Ų66.86%0.06132%0.323CS..Hα-helixtrans-71.1-35.3175.954.30000112.2S126 L127 Q133 L134 E200S126-T130 PolarHBondContact O-N 2.91Å; S126-T130 PolarHBondContact O-OG1 3.49Å; S126-T130 VanDerWaalsContact O-OG1 3.12Å; L127-T130 PolarHBondContact O-N 3.22Å; L127-T130 PolarHBondContact O-OG1 3.38Å; T130-Q133 WeakPolarHBondContact O-CB 3.48Å; T130-Q133 PolarHBondContact O-N 2.91Å; T130-L134 PolarHBondContact O-N 3.21Å; T130-E200 HydrophobicContact CG2-CG 4.22Å
131Y98.6Very high98.2Very high109 Ų10968.8 Ų68.843%0.42733%0.331SS..Hα-helixtrans-60.9-44.9171.8-176.4-112.1000112.1L127 Q133 L134 D135 Y197L127-Y131 WeakPolarHBondContact O-CB 3.45Å; L127-Y131 PolarHBondContact O-N 2.94Å; Y131-Q133 VanDerWaalsContact C-N 3.28Å; Y131-Q133 PolarHBondContact O-N 3.05Å; Y131-L134 WeakPolarHBondContact O-CB 3.28Å; Y131-L134 PolarHBondContact O-N 3.26Å; Y131-L134 VanDerWaalsContact O-N 3.15Å; Y131-D135 WeakPolarHBondContact O-CB 3.27Å; Y131-D135 PolarHBondContact O-N 3.46Å; Y131-Y197 HydrophobicContact CD2-CE1 4.3Å; Y131-Y197 AromaticContact CD2-CE2 3.97Å; Y131-Y197 HydrophobicContact CD2-CE2 3.97Å; Y131-Y197 AromaticContact CD2-CZ 3.83Å; Y131-Y197 HydrophobicContact CG-CE2 4.27Å
132K98.6Very high98.3Very high115 Ų11568.9 Ų68.950%0.533%0.333SS..Hα-helixtrans-60.6-34.8174.9-80.7164.4167.4142.80113.2E128 S129 S136E128-K132 HydrophobicContact CG-CD 4.39Å; E128-K132 WeakPolarHBondContact O-CB 3.46Å; E128-K132 WeakPolarHBondContact O-CG 3.4Å; E128-K132 PolarHBondContact O-N 2.92Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 2.71Å; E128-K132 PolarHBondContact OE1-NZ 2.96Å; S129-K132 PolarHBondContact O-N 3.4Å; K132-S136 VanDerWaalsContact O-CB 3.25Å; K132-S136 WeakPolarHBondContact O-CB 3.38Å; K132-S136 PolarHBondContact O-N 3.31Å; K132-S136 VanDerWaalsContact O-N 3.08Å; K132-S136 PolarHBondContact O-OG 3.26Å
133Q98.3Very high98.3Very high78 Ų7866.6 Ų66.636%0.36432%0.32SS..Hα-helixtrans-68.4-42174.1-69.116530.100111.5S129 T130 Y131 S137S129-Q133 WeakPolarHBondContact O-CG 3.37Å; S129-Q133 PolarHBondContact O-N 2.95Å; S129-Q133 PolarHBondContact O-NE2 3.26Å; T130-Q133 WeakPolarHBondContact O-CB 3.48Å; T130-Q133 PolarHBondContact O-N 2.91Å; Y131-Q133 VanDerWaalsContact C-N 3.28Å; Y131-Q133 PolarHBondContact O-N 3.05Å; Q133-S137 PolarHBondContact O-N 2.84Å; Q133-S137 PolarHBondContact O-OG 2.91Å
134L98.6Very high98.3Very high14 Ų1466.8 Ų66.87%0.07332%0.319CS..Hα-helixtrans-63.1-50.8174.9174.460.2000112.5T130 Y131 S136 S137 K138 Y190 Q193 L194 Y197T130-L134 PolarHBondContact O-N 3.21Å; Y131-L134 WeakPolarHBondContact O-CB 3.28Å; Y131-L134 PolarHBondContact O-N 3.26Å; Y131-L134 VanDerWaalsContact O-N 3.15Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 3.01Å; L134-S137 PolarHBondContact O-N 3.08Å; L134-S137 PolarHBondContact O-OG 3.28Å; L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 PolarHBondContact O-N 3.02Å; L134-Y190 HydrophobicContact CD1-CD2 3.79Å; L134-Y190 HydrophobicContact CD1-CE2 3.53Å; L134-Q193 HydrophobicContact CB-CB 4.5Å; L134-Q193 HydrophobicContact CD1-CB 4.19Å; L134-L194 HydrophobicContact CD1-CB 3.84Å; L134-L194 HydrophobicContact CD1-CD1 4.16Å; L134-L194 HydrophobicContact CD2-CD1 3.92Å; L134-Y197 HydrophobicContact CD2-CD1 3.53Å; L134-Y197 HydrophobicContact CD2-CE1 4.32Å; L134-Y197 HydrophobicContact CD2-CG 3.7Å
135D98.6Very high98.3Very high45 Ų4569.8 Ų69.824%0.24133%0.327CS..Hα-helixtrans-60.8-39.7178.7172.368.2000111.7Y131 K138 K139Y131-D135 WeakPolarHBondContact O-CB 3.27Å; Y131-D135 PolarHBondContact O-N 3.46Å; D135-K138 PolarHBondContact O-N 3.2Å; D135-K139 WeakPolarHBondContact O-CB 3.36Å; D135-K139 WeakPolarHBondContact O-CG 3.49Å; D135-K139 PolarHBondContact O-N 2.93Å; D135-K139 WeakPolarHBondContact OD1-CE 3.46Å; D135-K139 IonicContact OD1-NZ 2.62Å; D135-K139 PolarHBondContact OD1-NZ 3.47Å; D135-K139 WeakPolarHBondContact OD2-CE 3.35Å; D135-K139 IonicContact OD2-NZ 3.8Å; D135-K139 PolarHBondContact OD2-NZ 3.07Å
136S98.5Very high98.3Very high74 Ų7469.4 Ų69.452%0.51732%0.32SS..Hα-helixtrans-64.9-43.4175.4-61.40000112.8K132 L134 R140K132-S136 VanDerWaalsContact O-CB 3.25Å; K132-S136 WeakPolarHBondContact O-CB 3.38Å; K132-S136 PolarHBondContact O-N 3.31Å; K132-S136 VanDerWaalsContact O-N 3.08Å; K132-S136 PolarHBondContact O-OG 3.26Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 3.01Å; S136-R140 WeakPolarHBondContact O-CB 3.43Å; S136-R140 PolarHBondContact O-N 2.85Å
137S98.6Very high98.4Very high14 Ų1469.2 Ų69.210%0.09831%0.313CS..Hα-helixtrans-68.3-39.7177.568.40000111.6Q133 L134 R140 F141Q133-S137 PolarHBondContact O-N 2.84Å; Q133-S137 PolarHBondContact O-OG 2.91Å; L134-S137 PolarHBondContact O-N 3.08Å; L134-S137 PolarHBondContact O-OG 3.28Å; S137-R140 PolarHBondContact O-N 3.45Å; S137-F141 PolarHBondContact O-N 3.41Å
138K98.7Very high98.4Very high81 Ų8169.1 Ų69.135%0.35231%0.314SS..Hα-helixtrans-58-51.9173.3-168.5-177-178.4-1030111.8L134 D135 R140 F141 E142 Y190L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 PolarHBondContact O-N 3.02Å; D135-K138 PolarHBondContact O-N 3.2Å; K138-R140 VanDerWaalsContact C-N 3.28Å; K138-R140 PolarHBondContact O-N 3.43Å; K138-F141 PolarHBondContact O-N 3.02Å; K138-E142 WeakPolarHBondContact CE-OE1 3.25Å; K138-E142 IonicContact NZ-OE1 3.13Å; K138-E142 PolarHBondContact NZ-OE1 2.88Å; K138-E142 WeakPolarHBondContact O-CB 3.24Å; K138-E142 WeakPolarHBondContact O-CG 3.3Å; K138-E142 PolarHBondContact O-N 3.33Å; K138-Y190 HydrophobicContact CB-CD2 3.65Å; K138-Y190 HydrophobicContact CB-CE2 3.54Å; K138-Y190 HydrophobicContact CD-CE2 4.06Å; K138-Y190 HydrophobicContact CG-CD2 4.11Å; K138-Y190 HydrophobicContact CG-CE2 3.64Å
139K98.6Very high98.3Very high112 Ų11269.4 Ų69.449%0.48732%0.316SS..Hα-helixtrans-63.2-32.3178.9-75.7167.5175.9161.90112.8D135 R143D135-K139 WeakPolarHBondContact O-CB 3.36Å; D135-K139 WeakPolarHBondContact O-CG 3.49Å; D135-K139 PolarHBondContact O-N 2.93Å; D135-K139 WeakPolarHBondContact OD1-CE 3.46Å; D135-K139 IonicContact OD1-NZ 2.62Å; D135-K139 PolarHBondContact OD1-NZ 3.47Å; D135-K139 WeakPolarHBondContact OD2-CE 3.35Å; D135-K139 IonicContact OD2-NZ 3.8Å; D135-K139 PolarHBondContact OD2-NZ 3.07Å; K139-R143 PolarHBondContact O-N 3.42Å
140R98.4Very high98.3Very high101 Ų10173.3 Ų73.338%0.38132%0.322SS..Hα-helixtrans-66.5-51.8170.9175.7169.2170.3-122.1-5.9111.1S136 S137 K138 E142 R143 E144 C186 D189S136-R140 WeakPolarHBondContact O-CB 3.43Å; S136-R140 PolarHBondContact O-N 2.85Å; S137-R140 PolarHBondContact O-N 3.45Å; K138-R140 VanDerWaalsContact C-N 3.28Å; K138-R140 PolarHBondContact O-N 3.43Å; R140-E142 PolarHBondContact O-N 3.07Å; R140-R143 PolarHBondContact O-N 2.68Å; R140-R143 VanDerWaalsContact O-N 3.09Å; R140-E144 HydrophobicContact CG-CG 4.33Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.47Å; R140-C186 HydrophobicContact CG-CB 4.45Å; R140-C186 PolarHBondContact NE-SG 3.07Å; R140-C186 VanDerWaalsContact NE-SG 3.39Å; R140-C186 PolarHBondContact NH2-SG 3.35Å; R140-D189 IonicContact CZ-OD2 2.66Å; R140-D189 IonicContact NH1-OD2 3.11Å; R140-D189 PolarHBondContact NH1-OD2 3.04Å; R140-D189 IonicContact NH2-OD2 3.62Å
141F98.7Very high98.3Very high41 Ų4173.4 Ų73.418%0.1832%0.324CS..Hα-helixtrans-55.9-49175.9168.7-120.7000112.1S137 K138 R143 E144 W145 C186 K187 Y190S137-F141 PolarHBondContact O-N 3.41Å; K138-F141 PolarHBondContact O-N 3.02Å; F141-R143 PolarHBondContact O-N 3.3Å; F141-R143 VanDerWaalsContact O-N 3.17Å; F141-E144 PolarHBondContact O-N 2.97Å; F141-W145 HydrophobicContact CE2-CB 4.16Å; F141-W145 HydrophobicContact CE2-CD2 4.33Å; F141-W145 AromaticContact CE2-CE3 3.81Å; F141-W145 HydrophobicContact CE2-CE3 3.81Å; F141-W145 HydrophobicContact CZ-CD2 4.43Å; F141-W145 HydrophobicContact CZ-CE3 4.15Å; F141-W145 VanDerWaalsContact O-CB 3.25Å; F141-W145 WeakPolarHBondContact O-CB 3.34Å; F141-W145 PolarHBondContact O-N 3.16Å; F141-C186 HydrophobicContact CB-CB 4.15Å; F141-C186 HydrophobicContact CD2-CB 4.44Å; F141-K187 HydrophobicContact CD2-CB 3.73Å; F141-K187 HydrophobicContact CE2-CB 3.58Å; F141-K187 HydrophobicContact CE2-CD 4.06Å; F141-K187 HydrophobicContact CE2-CG 4.1Å; F141-K187 HydrophobicContact CZ-CB 4.22Å; F141-K187 HydrophobicContact CZ-CD 4.1Å; F141-K187 HydrophobicContact CZ-CG 4.27Å; F141-Y190 HydrophobicContact CD1-CD1 4.2Å
142E98.4Very high98.3Very high73 Ų7370.6 Ų70.634%0.34132%0.323SS..Hα-helixtrans-56.7-31.4176.5-74.7175.7-171.400113.1K138 R140 R146K138-E142 WeakPolarHBondContact CE-OE1 3.25Å; K138-E142 IonicContact NZ-OE1 3.13Å; K138-E142 PolarHBondContact NZ-OE1 2.88Å; K138-E142 WeakPolarHBondContact O-CB 3.24Å; K138-E142 WeakPolarHBondContact O-CG 3.3Å; K138-E142 PolarHBondContact O-N 3.33Å; R140-E142 PolarHBondContact O-N 3.07Å; E142-R146 PolarHBondContact O-NE 3.06Å; E142-R146 PolarHBondContact O-NH2 2.98Å
143R98.4Very high98.2Very high109 Ų10969.2 Ų69.241%0.41132%0.318SS..Hα-helixtrans-78.9-53.1176.3-178.3-172.663.5-122.7-1.7111.6K139 R140 F141 W145 R146 E147K139-R143 PolarHBondContact O-N 3.42Å; R140-R143 PolarHBondContact O-N 2.68Å; R140-R143 VanDerWaalsContact O-N 3.09Å; F141-R143 PolarHBondContact O-N 3.3Å; F141-R143 VanDerWaalsContact O-N 3.17Å; R143-W145 VanDerWaalsContact C-N 3.27Å; R143-W145 PolarHBondContact O-N 2.76Å; R143-R146 PolarHBondContact O-N 3.45Å; R143-R146 VanDerWaalsContact O-N 3.12Å; R143-E147 PolarHBondContact O-N 3.22Å
144E98.3Very high98.1Very high18 Ų1872.4 Ų72.48%0.08433%0.328CS..Hα-helixtrans-63.9-34.6-176.7-58.9-47.313800111.6R140 F141 R146 E147 A148 R179 V182 A183R140-E144 HydrophobicContact CG-CG 4.33Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.47Å; F141-E144 PolarHBondContact O-N 2.97Å; E144-R146 PolarHBondContact O-N 2.87Å; E144-E147 CarbonylContact O-C 3.58Å; E144-E147 PolarHBondContact O-N 3.33Å; E144-A148 PolarHBondContact O-N 2.8Å; E144-R179 IonicContact OE2-NH1 2.67Å; E144-R179 PolarHBondContact OE2-NH1 3.45Å; E144-V182 HydrophobicContact CB-CG1 4.38Å; E144-V182 HydrophobicContact CG-CG1 4.1Å; E144-A183 HydrophobicContact CB-CB 4.37Å
145W98.1Very high97.9Very high124 Ų12472 Ų7247%0.4733%0.327SS..Hα-helixtrans-58-48171.6-175.1-93000112.2F141 R143 E147 A148 E149 A183F141-W145 HydrophobicContact CE2-CB 4.16Å; F141-W145 HydrophobicContact CE2-CD2 4.33Å; F141-W145 AromaticContact CE2-CE3 3.81Å; F141-W145 HydrophobicContact CE2-CE3 3.81Å; F141-W145 HydrophobicContact CZ-CD2 4.43Å; F141-W145 HydrophobicContact CZ-CE3 4.15Å; F141-W145 VanDerWaalsContact O-CB 3.25Å; F141-W145 WeakPolarHBondContact O-CB 3.34Å; F141-W145 PolarHBondContact O-N 3.16Å; R143-W145 VanDerWaalsContact C-N 3.27Å; R143-W145 PolarHBondContact O-N 2.76Å; W145-E147 PolarHBondContact O-N 3.19Å; W145-A148 PolarHBondContact O-N 2.89Å; W145-E149 WeakPolarHBondContact O-CB 3.33Å; W145-E149 PolarHBondContact O-N 2.64Å; W145-A183 HydrophobicContact CE3-CB 4.28Å
146R98.3Very high97.8Very high129 Ų12975.2 Ų75.249%0.48734%0.34SS..Hα-helixtrans-65.3-22174.7-79.3176.9-72.5158.2-5.1113.1E142 R143 E144 R150E142-R146 PolarHBondContact O-NE 3.06Å; E142-R146 PolarHBondContact O-NH2 2.98Å; R143-R146 PolarHBondContact O-N 3.45Å; R143-R146 VanDerWaalsContact O-N 3.12Å; E144-R146 PolarHBondContact O-N 2.87Å; R146-R150 WeakPolarHBondContact O-CG 3.44Å; R146-R150 PolarHBondContact O-N 2.72Å; R146-R150 PolarHBondContact O-NE 3.21Å; R146-R150 PolarHBondContact O-NH2 3.23Å
147E97.8Very high97.7Very high47 Ų4778 Ų7822%0.2234%0.343CS..Hα-helixtrans-82-37.5173.2-73.2-175.8-149.600112R143 E144 W145 A151 R179R143-E147 PolarHBondContact O-N 3.22Å; E144-E147 CarbonylContact O-C 3.58Å; E144-E147 PolarHBondContact O-N 3.33Å; W145-E147 PolarHBondContact O-N 3.19Å; E147-A151 VanDerWaalsContact O-CB 3.32Å; E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 3.06Å; E147-R179 IonicContact OE2-CZ 2.71Å; E147-R179 IonicContact OE2-NH1 3.03Å; E147-R179 PolarHBondContact OE2-NH1 2.75Å; E147-R179 IonicContact OE2-NH2 2.72Å; E147-R179 PolarHBondContact OE2-NH2 3.04Å
148A98Very high97.5Very high11 Ų1178.1 Ų78.19%0.09134%0.343CS..Hα-helixtrans-63.5-45.5171.300000112.1E144 W145 A151 A152 R179 A183E144-A148 PolarHBondContact O-N 2.8Å; W145-A148 PolarHBondContact O-N 2.89Å; A148-A151 PolarHBondContact O-N 2.92Å; A148-A152 WeakPolarHBondContact O-CB 3.39Å; A148-A152 PolarHBondContact O-N 2.93Å; A148-R179 HydrophobicContact CB-CB 4.15Å; A148-A183 HydrophobicContact CB-CB 3.88Å
149E97.9Very high97.2Very high95 Ų9578.4 Ų78.444%0.44435%0.349SS..Hα-helixtrans-60.8-46177.1-177.1177.5-115.300112W145 A151 A152 Q153W145-E149 WeakPolarHBondContact O-CB 3.33Å; W145-E149 PolarHBondContact O-N 2.64Å; E149-A151 PolarHBondContact O-N 2.98Å; E149-A152 PolarHBondContact O-N 3.42Å; E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.21Å
150R97.9Very high97Very high139 Ų13979.4 Ų79.453%0.52536%0.355SS..Hα-helixtrans-62.9-38.6173.6-83.8176.5-75.5145-4.4112.8R146 Y154R146-R150 WeakPolarHBondContact O-CG 3.44Å; R146-R150 PolarHBondContact O-N 2.72Å; R146-R150 PolarHBondContact O-NE 3.21Å; R146-R150 PolarHBondContact O-NH2 3.23Å; R150-Y154 WeakPolarHBondContact O-CB 3.27Å; R150-Y154 PolarHBondContact O-N 3.4Å
151A97.3Very high96.7Very high13 Ų1378.3 Ų78.311%0.10736%0.357CS..Hα-helixtrans-68.4-38.7177.100000112.1E147 A148 E149 Y154 A155 A176 R179E147-A151 VanDerWaalsContact O-CB 3.32Å; E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 3.06Å; A148-A151 PolarHBondContact O-N 2.92Å; E149-A151 PolarHBondContact O-N 2.98Å; A151-Y154 PolarHBondContact O-N 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.34Å; A151-A155 PolarHBondContact O-N 3.5Å; A151-A176 HydrophobicContact CB-CB 4.33Å; A151-R179 HydrophobicContact CB-CB 4.21Å; A151-R179 HydrophobicContact CB-CG 4.24Å
152A97.6Very high96Very high50 Ų5084.3 Ų84.341%0.41339%0.389SS..Hα-helixtrans-64.3-49174.600000111.8A148 E149 Y154 A155 E156A148-A152 WeakPolarHBondContact O-CB 3.39Å; A148-A152 PolarHBondContact O-N 2.93Å; E149-A152 PolarHBondContact O-N 3.42Å; A152-Y154 PolarHBondContact O-N 2.96Å; A152-A155 PolarHBondContact O-N 3.24Å; A152-E156 WeakPolarHBondContact O-CB 3.5Å; A152-E156 PolarHBondContact O-N 3.25Å
153Q97.1Very high95.7Very high85 Ų8587.5 Ų87.540%0.39741%0.409SS..Hα-helixtrans-61.3-31.4175.4-70.5177.218.100113E149 K157E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.21Å; Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CD 3.49Å; Q153-K157 VanDerWaalsContact O-CG 3.22Å; Q153-K157 WeakPolarHBondContact O-CG 3.37Å; Q153-K157 PolarHBondContact O-N 2.98Å
154Y96.1Very high95.3Very high146 Ų14683.7 Ų83.757%0.57340%0.4SS*.Hα-helixtrans-70.6-47.9173.5178-103.1000111.3R150 A151 A152 E156 K157 T158 A172R150-Y154 WeakPolarHBondContact O-CB 3.27Å; R150-Y154 PolarHBondContact O-N 3.4Å; A151-Y154 PolarHBondContact O-N 3.3Å; A152-Y154 PolarHBondContact O-N 2.96Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.47Å; Y154-K157 PolarHBondContact O-N 3.39Å; Y154-T158 PolarHBondContact O-N 3.46Å; Y154-T158 PolarHBondContact O-OG1 3.44Å; Y154-A172 HydrophobicContact CD1-CB 4.06Å; Y154-A172 HydrophobicContact CE1-CB 3.93Å
155A96Very high95Very high6 Ų686.5 Ų86.55%0.0542%0.418CS..Hα-helixtrans-60.3-40.4177.600000112.8A151 A152 T158 D159 A172 K173 A176A151-A155 WeakPolarHBondContact O-CB 3.34Å; A151-A155 PolarHBondContact O-N 3.5Å; A152-A155 PolarHBondContact O-N 3.24Å; A155-T158 PolarHBondContact O-N 3.24Å; A155-D159 WeakPolarHBondContact O-CB 3.3Å; A155-D159 PolarHBondContact O-N 2.91Å; A155-A172 HydrophobicContact CB-CB 4.01Å; A155-K173 HydrophobicContact CB-CG 4.22Å; A155-A176 HydrophobicContact CB-CB 3.93Å
156E95.9Very high94.7Very high111 Ų11189.6 Ų89.652%0.51944%0.435SS..Hα-helixtrans-61.2-45.8173.4-179.9177.9-16800111.9A152 Y154 T158 D159 Q160A152-E156 WeakPolarHBondContact O-CB 3.5Å; A152-E156 PolarHBondContact O-N 3.25Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.47Å; E156-T158 PolarHBondContact O-N 3.06Å; E156-D159 PolarHBondContact O-N 2.89Å; E156-Q160 VanDerWaalsContact CG-NE2 3.29Å; E156-Q160 VanDerWaalsContact O-CG 3.32Å; E156-Q160 WeakPolarHBondContact O-CG 3.27Å; E156-Q160 PolarHBondContact O-N 3.06Å; E156-Q160 VanDerWaalsContact O-N 3.1Å; E156-Q160 PolarHBondContact OE1-NE2 3.45Å
157K95.8Very high94.5Very high134 Ų13486.7 Ų86.758%0.58344%0.439SS*.Hα-helixtrans-64.6-37.8177.5-74.1167.2-173.4169.10112.7Q153 Y154 Q160 D161Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CD 3.49Å; Q153-K157 VanDerWaalsContact O-CG 3.22Å; Q153-K157 WeakPolarHBondContact O-CG 3.37Å; Q153-K157 PolarHBondContact O-N 2.98Å; Y154-K157 PolarHBondContact O-N 3.39Å; K157-Q160 PolarHBondContact O-N 3.16Å; K157-D161 PolarHBondContact O-N 3.01Å
158T93.9Very high94.3Very high16 Ų1688 Ų8810%0.09845%0.448CS..Hα-helixtrans-69.5-35.6175.1-55.20000111.9Y154 A155 E156 Q160 D161 A164 D168 V169 A172Y154-T158 PolarHBondContact O-N 3.46Å; Y154-T158 PolarHBondContact O-OG1 3.44Å; A155-T158 PolarHBondContact O-N 3.24Å; E156-T158 PolarHBondContact O-N 3.06Å; T158-Q160 PolarHBondContact O-N 2.73Å; T158-D161 PolarHBondContact O-N 2.67Å; T158-A164 HydrophobicContact CG2-CB 3.84Å; T158-A164 WeakPolarHBondContact O-CB 3.4Å; T158-D168 HydrophobicContact CG2-CB 4.25Å; T158-V169 HydrophobicContact CG2-CG2 4.07Å; T158-V169 WeakPolarHBondContact O-CG2 3.36Å; T158-A172 HydrophobicContact CG2-CB 4.41Å
159D93.3Very high94.1Very high87 Ų8788.5 Ų88.547%0.46545%0.45SS..Hα-helixtrans-68.4-23175.2-158.146.9000113.2A155 E156 V169 K173A155-D159 WeakPolarHBondContact O-CB 3.3Å; A155-D159 PolarHBondContact O-N 2.91Å; E156-D159 PolarHBondContact O-N 2.89Å; D159-V169 HydrophobicContact CB-CG1 4.28Å; D159-V169 WeakPolarHBondContact OD1-CG1 3.31Å; D159-K173 VanDerWaalsContact CG-CE 3.48Å; D159-K173 WeakPolarHBondContact OD1-CE 3.26Å; D159-K173 IonicContact OD1-NZ 2.7Å; D159-K173 PolarHBondContact OD1-NZ 2.99Å; D159-K173 WeakPolarHBondContact OD2-CE 3.49Å; D159-K173 IonicContact OD2-NZ 2.78Å; D159-K173 PolarHBondContact OD2-NZ 3.09Å
160Q93.1Very high93.9Very high132 Ų13288.6 Ų88.662%0.61745%0.45SS*.Hα-helixtrans-94.3-9.5177.1-68.1172.414.700113.7E156 K157 T158 I162E156-Q160 VanDerWaalsContact CG-NE2 3.29Å; E156-Q160 VanDerWaalsContact O-CG 3.32Å; E156-Q160 WeakPolarHBondContact O-CG 3.27Å; E156-Q160 PolarHBondContact O-N 3.06Å; E156-Q160 VanDerWaalsContact O-N 3.1Å; E156-Q160 PolarHBondContact OE1-NE2 3.45Å; K157-Q160 PolarHBondContact O-N 3.16Å; T158-Q160 PolarHBondContact O-N 2.73Å; Q160-I162 PolarHBondContact O-N 3.31Å
161D93Very high93.8Very high78 Ų7889 Ų8942%0.41746%0.455SS..  trans-83.3114.4179.7-176.54.4000111.3K157 T158 N163 A164K157-D161 PolarHBondContact O-N 3.01Å; T158-D161 PolarHBondContact O-N 2.67Å; D161-N163 PolarHBondContact O-N 2.96Å; D161-N163 WeakPolarHBondContact OD1-CB 3.38Å; D161-N163 PolarHBondContact OD1-N 3.1Å; D161-N163 PolarHBondContact OD1-ND2 3.46Å; D161-A164 HydrophobicContact CB-CB 4.03Å; D161-A164 PolarHBondContact O-N 3.32Å
162I85.1Confident93.7Very high168 Ų16888.6 Ų88.686%0.86245%0.452SS*.THydrogen-bonded Turntrans-57.4-21.7177.7-61.5172.3000112.2Q160Q160-I162 PolarHBondContact O-N 3.31Å
163N91.4Very high93.7Very high140 Ų14089.3 Ų89.375%0.74945%0.446SS*.THydrogen-bonded Turntrans-95.5-11.5-178.5-48.4-85.5000113.6D161D161-N163 PolarHBondContact O-N 2.96Å; D161-N163 WeakPolarHBondContact OD1-CB 3.38Å; D161-N163 PolarHBondContact OD1-N 3.1Å; D161-N163 PolarHBondContact OD1-ND2 3.46Å
164A89.1Confident93.7Very high28 Ų2890.6 Ų90.623%0.23145%0.452CS..SBendtrans-74.8140.6-178.100000111.4T158 D161 V169T158-A164 HydrophobicContact CG2-CB 3.84Å; T158-A164 WeakPolarHBondContact O-CB 3.4Å; D161-A164 HydrophobicContact CB-CB 4.03Å; D161-A164 PolarHBondContact O-N 3.32Å; A164-V169 HydrophobicContact CB-CG2 4.23Å
165T93.3Very high93.7Very high77 Ų7787.6 Ų87.647%0.47244%0.443SS..  trans-78.5154.8174.882.40000110.7A167 D168 V169T165-A167 PolarHBondContact O-N 3.36Å; T165-A167 PolarHBondContact OG1-N 3.22Å; T165-D168 VanDerWaalsContact CB-OD2 3.29Å; T165-D168 WeakPolarHBondContact CB-OD2 3.32Å; T165-D168 WeakPolarHBondContact CG2-OD2 3.27Å; T165-D168 PolarHBondContact N-OD2 3.16Å; T165-D168 PolarHBondContact O-N 3.48Å; T165-D168 PolarHBondContact OG1-N 3.02Å; T165-D168 PolarHBondContact OG1-OD2 3.03Å; T165-V169 PolarHBondContact O-N 2.87Å; T165-V169 VanDerWaalsContact O-N 3.08Å
166K91.6Very high93.7Very high189 Ų18987.9 Ų87.982%0.82245%0.446SS*.Hα-helixtrans-55.3-27173.4-171.9174.8-179.9179.70112.9E170K166-E170 VanDerWaalsContact O-CB 3.3Å; K166-E170 WeakPolarHBondContact O-CB 3.25Å; K166-E170 PolarHBondContact O-N 2.88Å; K166-E170 VanDerWaalsContact O-N 3.13Å
167A94Very high93.8Very high69 Ų6988.8 Ų88.857%0.5745%0.449SS*.Hα-helixtrans-74.7-35.9175.900000112.6T165 K171T165-A167 PolarHBondContact O-N 3.36Å; T165-A167 PolarHBondContact OG1-N 3.22Å; A167-K171 WeakPolarHBondContact O-CB 3.09Å; A167-K171 PolarHBondContact O-N 3.43Å
168D92.5Very high93.9Very high74 Ų7487.1 Ų87.140%0.39645%0.445SS..Hα-helixtrans-69.8-42.8176.5-58.4-60.4000111.3T158 T165 K171 A172T158-D168 HydrophobicContact CG2-CB 4.25Å; T165-D168 VanDerWaalsContact CB-OD2 3.29Å; T165-D168 WeakPolarHBondContact CB-OD2 3.32Å; T165-D168 WeakPolarHBondContact CG2-OD2 3.27Å; T165-D168 PolarHBondContact N-OD2 3.16Å; T165-D168 PolarHBondContact O-N 3.48Å; T165-D168 PolarHBondContact OG1-N 3.02Å; T165-D168 PolarHBondContact OG1-OD2 3.03Å; D168-K171 PolarHBondContact O-N 3.45Å; D168-A172 WeakPolarHBondContact O-CB 3.14Å; D168-A172 PolarHBondContact O-N 3.46Å
169V93.9Very high94.1Very high22 Ų2289.4 Ų89.413%0.13345%0.452CS..Hα-helixtrans-56.8-51.6172.8172.10000111.2T158 D159 A164 T165 A172 K173T158-V169 HydrophobicContact CG2-CG2 4.07Å; T158-V169 WeakPolarHBondContact O-CG2 3.36Å; D159-V169 HydrophobicContact CB-CG1 4.28Å; D159-V169 WeakPolarHBondContact OD1-CG1 3.31Å; A164-V169 HydrophobicContact CB-CG2 4.23Å; T165-V169 PolarHBondContact O-N 2.87Å; T165-V169 VanDerWaalsContact O-N 3.08Å; V169-A172 PolarHBondContact O-N 3.44Å; V169-K173 HydrophobicContact CG1-CD 4.07Å; V169-K173 WeakPolarHBondContact O-CG 3.34Å; V169-K173 PolarHBondContact O-N 2.89Å
170E94.9Very high94.3Very high97 Ų9787.7 Ų87.745%0.45345%0.45SS..Hα-helixtrans-62.1-45179.8-179.357.9-148.100111.3K166 A172 K173 Q174K166-E170 VanDerWaalsContact O-CB 3.3Å; K166-E170 WeakPolarHBondContact O-CB 3.25Å; K166-E170 PolarHBondContact O-N 2.88Å; K166-E170 VanDerWaalsContact O-N 3.13Å; E170-A172 VanDerWaalsContact C-N 3.35Å; E170-A172 PolarHBondContact O-N 3.23Å; E170-K173 PolarHBondContact O-N 3.01Å; E170-Q174 WeakPolarHBondContact O-CB 3.42Å; E170-Q174 VanDerWaalsContact O-CG 3.3Å; E170-Q174 WeakPolarHBondContact O-CG 3.31Å; E170-Q174 PolarHBondContact O-N 3.3Å; E170-Q174 PolarHBondContact OE1-NE2 3.37Å
171K96.1Very high94.6Very high146 Ų14690.4 Ų90.464%0.63545%0.454SS*.Hα-helixtrans-60.5-41.3175.8-179.3-178177.4-174.20112.4A167 D168 Q175A167-K171 WeakPolarHBondContact O-CB 3.09Å; A167-K171 PolarHBondContact O-N 3.43Å; D168-K171 PolarHBondContact O-N 3.45Å; K171-Q175 WeakPolarHBondContact O-CB 3.48Å; K171-Q175 PolarHBondContact O-N 2.98Å
172A95.3Very high94.8Very high5 Ų588.9 Ų88.94%0.04145%0.448CS..Hα-helixtrans-67.4-42.3177.100000111.6Y154 A155 T158 D168 V169 E170 Q175 A176Y154-A172 HydrophobicContact CD1-CB 4.06Å; Y154-A172 HydrophobicContact CE1-CB 3.93Å; A155-A172 HydrophobicContact CB-CB 4.01Å; T158-A172 HydrophobicContact CG2-CB 4.41Å; D168-A172 WeakPolarHBondContact O-CB 3.14Å; D168-A172 PolarHBondContact O-N 3.46Å; V169-A172 PolarHBondContact O-N 3.44Å; E170-A172 VanDerWaalsContact C-N 3.35Å; E170-A172 PolarHBondContact O-N 3.23Å; A172-Q175 PolarHBondContact O-N 3.49Å; A172-A176 PolarHBondContact O-N 2.89Å
173K96.1Very high95.4Very high65 Ų6581 Ų8128%0.28341%0.407SS..Hα-helixtrans-63.4-42.7174.5-75.5174.3171.7171.90112.3A155 D159 V169 E170 Q175 A176 H177A155-K173 HydrophobicContact CB-CG 4.22Å; D159-K173 VanDerWaalsContact CG-CE 3.48Å; D159-K173 WeakPolarHBondContact OD1-CE 3.26Å; D159-K173 IonicContact OD1-NZ 2.7Å; D159-K173 PolarHBondContact OD1-NZ 2.99Å; D159-K173 WeakPolarHBondContact OD2-CE 3.49Å; D159-K173 IonicContact OD2-NZ 2.78Å; D159-K173 PolarHBondContact OD2-NZ 3.09Å; V169-K173 HydrophobicContact CG1-CD 4.07Å; V169-K173 WeakPolarHBondContact O-CG 3.34Å; V169-K173 PolarHBondContact O-N 2.89Å; E170-K173 PolarHBondContact O-N 3.01Å; K173-Q175 PolarHBondContact O-N 3.29Å; K173-A176 PolarHBondContact O-N 3.11Å; K173-H177 PolarHBondContact O-CD2 2.91Å; K173-H177 PolarHBondContact O-N 3.1Å
174Q96.7Very high95.7Very high112 Ų11277.7 Ų77.752%0.52339%0.388SS..Hα-helixtrans-60.8-43.3173.6-72.317712.700112.2E170 A176 H177 M178E170-Q174 WeakPolarHBondContact O-CB 3.42Å; E170-Q174 VanDerWaalsContact O-CG 3.3Å; E170-Q174 WeakPolarHBondContact O-CG 3.31Å; E170-Q174 PolarHBondContact O-N 3.3Å; E170-Q174 PolarHBondContact OE1-NE2 3.37Å; Q174-A176 PolarHBondContact O-N 3.38Å; Q174-H177 PolarHBondContact O-N 2.95Å; Q174-M178 WeakPolarHBondContact O-CB 3.35Å; Q174-M178 PolarHBondContact O-N 3.35Å
175Q96.1Very high96.2Very high84 Ų8480.7 Ų80.739%0.39340%0.4SS..Hα-helixtrans-61.6-42.6174.7-179.467.413.300112K171 A172 K173 M178 R179K171-Q175 WeakPolarHBondContact O-CB 3.48Å; K171-Q175 PolarHBondContact O-N 2.98Å; A172-Q175 PolarHBondContact O-N 3.49Å; K173-Q175 PolarHBondContact O-N 3.29Å; Q175-M178 PolarHBondContact O-N 3.21Å; Q175-R179 PolarHBondContact O-N 3.01Å
176A97.4Very high96.4Very high12 Ų1277 Ų7710%0.09938%0.378CS..Hα-helixtrans-63.7-47.4176.200000111.9A151 A155 A172 K173 Q174 M178 R179 A180A151-A176 HydrophobicContact CB-CB 4.33Å; A155-A176 HydrophobicContact CB-CB 3.93Å; A172-A176 PolarHBondContact O-N 2.89Å; K173-A176 PolarHBondContact O-N 3.11Å; Q174-A176 PolarHBondContact O-N 3.38Å; A176-M178 VanDerWaalsContact C-N 3.34Å; A176-M178 PolarHBondContact O-N 2.65Å; A176-R179 PolarHBondContact O-N 3.2Å; A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.47Å
177H97.8Very high96.7Very high129 Ų12971.9 Ų71.960%0.59736%0.355SS*.Hα-helixtrans-61.6-39.2176-71.7-52.6000112.7K173 Q174 A180 R181K173-H177 PolarHBondContact O-CD2 2.91Å; K173-H177 PolarHBondContact O-N 3.1Å; Q174-H177 PolarHBondContact O-N 2.95Å; H177-A180 PolarHBondContact O-N 3.44Å; H177-R181 PolarHBondContact O-N 3.42Å; H177-R181 VanDerWaalsContact O-N 3.14Å
178M97.7Very high96.9Very high100 Ų10072.9 Ų72.949%0.49335%0.351SS..Hα-helixtrans-63-46.2175.2-178.2175.462.500111.5Q174 Q175 A176 R181 V182Q174-M178 WeakPolarHBondContact O-CB 3.35Å; Q174-M178 PolarHBondContact O-N 3.35Å; Q175-M178 PolarHBondContact O-N 3.21Å; A176-M178 VanDerWaalsContact C-N 3.34Å; A176-M178 PolarHBondContact O-N 2.65Å; M178-R181 PolarHBondContact O-N 3.47Å; M178-V182 PolarHBondContact O-N 3.35Å
179R97.6Very high97.2Very high64 Ų6472.6 Ų72.624%0.24235%0.349CS..Hα-helixtrans-68.3-34.2177.9-69.6-53.1-157.6122.416113.1E144 E147 A148 A151 Q175 A176 R181 V182 A183E144-R179 IonicContact OE2-NH1 2.67Å; E144-R179 PolarHBondContact OE2-NH1 3.45Å; E147-R179 IonicContact OE2-CZ 2.71Å; E147-R179 IonicContact OE2-NH1 3.03Å; E147-R179 PolarHBondContact OE2-NH1 2.75Å; E147-R179 IonicContact OE2-NH2 2.72Å; E147-R179 PolarHBondContact OE2-NH2 3.04Å; A148-R179 HydrophobicContact CB-CB 4.15Å; A151-R179 HydrophobicContact CB-CB 4.21Å; A151-R179 HydrophobicContact CB-CG 4.24Å; Q175-R179 PolarHBondContact O-N 3.01Å; A176-R179 PolarHBondContact O-N 3.2Å; R179-R181 PolarHBondContact O-N 3.14Å; R179-V182 PolarHBondContact O-N 2.89Å; R179-A183 PolarHBondContact O-N 3.31Å
180A98.1Very high97.5Very high51 Ų5174.2 Ų74.242%0.42135%0.353SS..Hα-helixtrans-60.6-41.7173.100000112.3A176 H177 A183 E184A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.47Å; H177-A180 PolarHBondContact O-N 3.44Å; A180-A183 PolarHBondContact O-N 3.02Å; A180-E184 PolarHBondContact O-N 3.39Å
181R98.1Very high97.6Very high188 Ų18872.1 Ų72.171%0.70935%0.352SS*.Hα-helixtrans-60.8-50.7172.9-66.8-172.7-161.2-168.46.9111.7H177 M178 R179 A183 E184 D185H177-R181 PolarHBondContact O-N 3.42Å; H177-R181 VanDerWaalsContact O-N 3.14Å; M178-R181 PolarHBondContact O-N 3.47Å; R179-R181 PolarHBondContact O-N 3.14Å; R181-A183 VanDerWaalsContact C-N 3.25Å; R181-A183 PolarHBondContact O-N 3.28Å; R181-E184 CarbonylContact O-C 3.59Å; R181-E184 PolarHBondContact O-N 3.21Å; R181-D185 VanDerWaalsContact O-CG 3.28Å; R181-D185 PolarHBondContact O-N 2.8Å
182V98Very high97.7Very high47 Ų4767.8 Ų67.829%0.28534%0.344SS..Hα-helixtrans-58.1-37.6179.8174.40000112E144 M178 R179 C186E144-V182 HydrophobicContact CB-CG1 4.38Å; E144-V182 HydrophobicContact CG-CG1 4.1Å; M178-V182 PolarHBondContact O-N 3.35Å; R179-V182 PolarHBondContact O-N 2.89Å; V182-C186 WeakPolarHBondContact O-CB 3.43Å; V182-C186 PolarHBondContact O-N 3.07Å; V182-C186 PolarHBondContact O-SG 2.96Å
183A98.1Very high97.9Very high1 Ų170 Ų701%0.00835%0.354CS..Hα-helixtrans-68.3-38.6175.200000112.8E144 W145 A148 R179 A180 R181 C186 K187E144-A183 HydrophobicContact CB-CB 4.37Å; W145-A183 HydrophobicContact CE3-CB 4.28Å; A148-A183 HydrophobicContact CB-CB 3.88Å; R179-A183 PolarHBondContact O-N 3.31Å; A180-A183 PolarHBondContact O-N 3.02Å; R181-A183 VanDerWaalsContact C-N 3.25Å; R181-A183 PolarHBondContact O-N 3.28Å; A183-C186 PolarHBondContact O-N 2.84Å; A183-K187 WeakPolarHBondContact O-CB 3.38Å; A183-K187 PolarHBondContact O-N 2.85Å
184E98.1Very high98Very high72 Ų7269.6 Ų69.634%0.33635%0.354SS..Hα-helixtrans-70.3-38.3175.8-171.260.8-151.800112A180 R181 C186 K187 N188A180-E184 PolarHBondContact O-N 3.39Å; R181-E184 CarbonylContact O-C 3.59Å; R181-E184 PolarHBondContact O-N 3.21Å; E184-C186 VanDerWaalsContact C-N 3.34Å; E184-C186 PolarHBondContact O-N 3.11Å; E184-K187 WeakPolarHBondContact O-CB 3.49Å; E184-K187 PolarHBondContact O-N 3.24Å; E184-K187 VanDerWaalsContact O-N 3.17Å; E184-K187 IonicContact OE1-NZ 2.71Å; E184-K187 PolarHBondContact OE1-NZ 3.17Å; E184-K187 IonicContact OE2-NZ 3.16Å; E184-K187 PolarHBondContact OE2-NZ 3.18Å; E184-N188 PolarHBondContact O-N 3.34Å; E184-N188 PolarHBondContact O-ND2 2.91Å
185D98.3Very high98.1Very high90 Ų9071.7 Ų71.748%0.48136%0.364SS..Hα-helixtrans-59.2-46171.2-63.3-34.6000110.5R181 K187 N188 D189R181-D185 VanDerWaalsContact O-CG 3.28Å; R181-D185 PolarHBondContact O-N 2.8Å; D185-K187 VanDerWaalsContact C-N 3.3Å; D185-K187 PolarHBondContact O-N 3.48Å; D185-N188 PolarHBondContact O-N 3.21Å; D185-D189 PolarHBondContact O-N 3.3Å
186C98.4Very high98.2Very high1 Ų172 Ų721%0.00736%0.364CS..Hα-helixtrans-66.4-29.2176.3-64.40000113.4R140 F141 V182 A183 E184 Y190R140-C186 HydrophobicContact CG-CB 4.45Å; R140-C186 PolarHBondContact NE-SG 3.07Å; R140-C186 VanDerWaalsContact NE-SG 3.39Å; R140-C186 PolarHBondContact NH2-SG 3.35Å; F141-C186 HydrophobicContact CB-CB 4.15Å; F141-C186 HydrophobicContact CD2-CB 4.44Å; V182-C186 WeakPolarHBondContact O-CB 3.43Å; V182-C186 PolarHBondContact O-N 3.07Å; V182-C186 PolarHBondContact O-SG 2.96Å; A183-C186 PolarHBondContact O-N 2.84Å; E184-C186 VanDerWaalsContact C-N 3.34Å; E184-C186 PolarHBondContact O-N 3.11Å; C186-Y190 WeakPolarHBondContact O-CB 3.37Å; C186-Y190 PolarHBondContact O-N 3.45Å
187K98.4Very high98.3Very high81 Ų8172.7 Ų72.735%0.35236%0.364SS..Hα-helixtrans-68.4-41.1173.8176.3165.9149-101.70111.3F141 A183 E184 D185 Y190 A191F141-K187 HydrophobicContact CD2-CB 3.73Å; F141-K187 HydrophobicContact CE2-CB 3.58Å; F141-K187 HydrophobicContact CE2-CD 4.06Å; F141-K187 HydrophobicContact CE2-CG 4.1Å; F141-K187 HydrophobicContact CZ-CB 4.22Å; F141-K187 HydrophobicContact CZ-CD 4.1Å; F141-K187 HydrophobicContact CZ-CG 4.27Å; A183-K187 WeakPolarHBondContact O-CB 3.38Å; A183-K187 PolarHBondContact O-N 2.85Å; E184-K187 WeakPolarHBondContact O-CB 3.49Å; E184-K187 PolarHBondContact O-N 3.24Å; E184-K187 VanDerWaalsContact O-N 3.17Å; E184-K187 IonicContact OE1-NZ 2.71Å; E184-K187 PolarHBondContact OE1-NZ 3.17Å; E184-K187 IonicContact OE2-NZ 3.16Å; E184-K187 PolarHBondContact OE2-NZ 3.18Å; D185-K187 VanDerWaalsContact C-N 3.3Å; D185-K187 PolarHBondContact O-N 3.48Å; K187-Y190 PolarHBondContact O-N 2.92Å; K187-A191 WeakPolarHBondContact O-CB 3.28Å; K187-A191 PolarHBondContact O-N 2.96Å
188N98.4Very high98.3Very high90 Ų9070.2 Ų70.248%0.48136%0.355SS..Hα-helixtrans-67.4-42.7174.3-68.1-42.9000111.6E184 D185 Y190 A191 A192E184-N188 PolarHBondContact O-N 3.34Å; E184-N188 PolarHBondContact O-ND2 2.91Å; D185-N188 PolarHBondContact O-N 3.21Å; N188-Y190 PolarHBondContact O-N 3.07Å; N188-A191 PolarHBondContact O-N 2.81Å; N188-A192 WeakPolarHBondContact O-CB 3.42Å; N188-A192 PolarHBondContact O-N 3.49Å
189D98.4Very high98.3Very high67 Ų6773.2 Ų73.236%0.35837%0.366SS..Hα-helixtrans-55.1-48.8170.8-78.8-28000111.5R140 D185 A192 Q193R140-D189 IonicContact CZ-OD2 2.66Å; R140-D189 IonicContact NH1-OD2 3.11Å; R140-D189 PolarHBondContact NH1-OD2 3.04Å; R140-D189 IonicContact NH2-OD2 3.62Å; D185-D189 PolarHBondContact O-N 3.3Å; D189-A192 PolarHBondContact O-N 3.32Å; D189-Q193 WeakPolarHBondContact O-CG 3.49Å; D189-Q193 PolarHBondContact O-N 3.13Å
190Y98.7Very high98.3Very high57 Ų5773 Ų7322%0.22437%0.367CS..Hα-helixtrans-62.4-45.4178.8168.9-116.8000112.4L134 K138 F141 C186 K187 N188 A192 Q193 L194L134-Y190 HydrophobicContact CD1-CD2 3.79Å; L134-Y190 HydrophobicContact CD1-CE2 3.53Å; K138-Y190 HydrophobicContact CB-CD2 3.65Å; K138-Y190 HydrophobicContact CB-CE2 3.54Å; K138-Y190 HydrophobicContact CD-CE2 4.06Å; K138-Y190 HydrophobicContact CG-CD2 4.11Å; K138-Y190 HydrophobicContact CG-CE2 3.64Å; F141-Y190 HydrophobicContact CD1-CD1 4.2Å; C186-Y190 WeakPolarHBondContact O-CB 3.37Å; C186-Y190 PolarHBondContact O-N 3.45Å; K187-Y190 PolarHBondContact O-N 2.92Å; N188-Y190 PolarHBondContact O-N 3.07Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; Y190-Q193 PolarHBondContact O-N 3.5Å; Y190-L194 WeakPolarHBondContact O-CB 3.48Å; Y190-L194 PolarHBondContact O-N 3.35Å
191A98.6Very high98.3Very high52 Ų5273.9 Ų73.943%0.4336%0.363SS..Hα-helixtrans-60.5-41.2177.200000112.4K187 N188 L194 Q195K187-A191 WeakPolarHBondContact O-CB 3.28Å; K187-A191 PolarHBondContact O-N 2.96Å; N188-A191 PolarHBondContact O-N 2.81Å; A191-L194 PolarHBondContact O-N 2.77Å; A191-Q195 PolarHBondContact O-N 2.9Å
192A98.5Very high98.3Very high55 Ų5568 Ų6846%0.45535%0.35SS..Hα-helixtrans-65.7-43.2176.400000112.5N188 D189 Y190 L194 Q195 K196N188-A192 WeakPolarHBondContact O-CB 3.42Å; N188-A192 PolarHBondContact O-N 3.49Å; D189-A192 PolarHBondContact O-N 3.32Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.45Å; A192-Q195 PolarHBondContact O-N 3.49Å; A192-K196 WeakPolarHBondContact O-CB 3.48Å; A192-K196 PolarHBondContact O-N 3.25Å
193Q98.4Very high98.3Very high53 Ų5369.4 Ų69.425%0.24835%0.354CS..Hα-helixtrans-66.5-33.3174.6-62.2-54-31.300112.2L134 D189 Y190 K196 Y197L134-Q193 HydrophobicContact CB-CB 4.5Å; L134-Q193 HydrophobicContact CD1-CB 4.19Å; D189-Q193 WeakPolarHBondContact O-CG 3.49Å; D189-Q193 PolarHBondContact O-N 3.13Å; Y190-Q193 PolarHBondContact O-N 3.5Å; Q193-K196 PolarHBondContact O-N 2.99Å; Q193-Y197 WeakPolarHBondContact O-CB 3.36Å; Q193-Y197 PolarHBondContact O-N 3.42Å
194L98.6Very high98.3Very high56 Ų5670 Ų7029%0.29336%0.356SS..Hα-helixtrans-67.4-45177.1-178.961.1000111.4L134 Y190 A191 A192 K196 Y197 N198L134-L194 HydrophobicContact CD1-CB 3.84Å; L134-L194 HydrophobicContact CD1-CD1 4.16Å; L134-L194 HydrophobicContact CD2-CD1 3.92Å; Y190-L194 WeakPolarHBondContact O-CB 3.48Å; Y190-L194 PolarHBondContact O-N 3.35Å; A191-L194 PolarHBondContact O-N 2.77Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.45Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.24Å; L194-Y197 PolarHBondContact O-N 3.26Å; L194-N198 WeakPolarHBondContact O-CB 3.48Å; L194-N198 PolarHBondContact O-N 3.37Å; L194-N198 PolarHBondContact O-OD1 3.18Å
195Q98.4Very high98.3Very high155 Ų15570.4 Ų70.472%0.72436%0.355SS*.Hα-helixtrans-61.6-41.3174.8-171.1-178.31200111.6A191 A192 K199A191-Q195 PolarHBondContact O-N 2.9Å; A192-Q195 PolarHBondContact O-N 3.49Å; Q195-K199 PolarHBondContact O-N 2.89Å
196K98.2Very high98.2Very high91 Ų9174 Ų7440%0.39637%0.367SS..Hα-helixtrans-61.1-51174.9-179.3-169.5176.4-174.10111.7A192 Q193 L194 K199 E200A192-K196 WeakPolarHBondContact O-CB 3.48Å; A192-K196 PolarHBondContact O-N 3.25Å; Q193-K196 PolarHBondContact O-N 2.99Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.24Å; K196-K199 PolarHBondContact O-N 3.25Å; K196-E200 PolarHBondContact O-N 3.36Å
197Y98.6Very high98.1Very high26 Ų2677.2 Ų77.210%0.10238%0.384CS..Hα-helixtrans-62.9-45-179.1176.3-103.1000112.1L127 Y131 L134 Q193 L194 K199 E200 Q201L127-Y197 HydrophobicContact CD1-CD2 4.13Å; L127-Y197 HydrophobicContact CD1-CE2 3.45Å; L127-Y197 VanDerWaalsContact CD1-CE2 3.45Å; L127-Y197 HydrophobicContact CG-CE2 4.11Å; Y131-Y197 HydrophobicContact CD2-CE1 4.3Å; Y131-Y197 AromaticContact CD2-CE2 3.97Å; Y131-Y197 HydrophobicContact CD2-CE2 3.97Å; Y131-Y197 AromaticContact CD2-CZ 3.83Å; Y131-Y197 HydrophobicContact CG-CE2 4.27Å; L134-Y197 HydrophobicContact CD2-CD1 3.53Å; L134-Y197 HydrophobicContact CD2-CE1 4.32Å; L134-Y197 HydrophobicContact CD2-CG 3.7Å; Q193-Y197 WeakPolarHBondContact O-CB 3.36Å; Q193-Y197 PolarHBondContact O-N 3.42Å; L194-Y197 PolarHBondContact O-N 3.26Å; Y197-K199 PolarHBondContact O-N 3.44Å; Y197-E200 PolarHBondContact O-N 3.45Å; Y197-E200 VanDerWaalsContact O-N 3.13Å; Y197-Q201 HydrophobicContact CE1-CB 4.33Å; Y197-Q201 VanDerWaalsContact CE1-NE2 3.34Å; Y197-Q201 VanDerWaalsContact O-CB 3.28Å; Y197-Q201 WeakPolarHBondContact O-CB 3.42Å; Y197-Q201 PolarHBondContact O-N 2.68Å; Y197-Q201 PolarHBondContact OH-NE2 3.41Å
198N98.4Very high98.1Very high78 Ų7875.9 Ų75.942%0.41738%0.381SS..Hα-helixtrans-62-33.2179.1-68-0.2000111.9L194 S202L194-N198 WeakPolarHBondContact O-CB 3.48Å; L194-N198 PolarHBondContact O-N 3.37Å; L194-N198 PolarHBondContact O-OD1 3.18Å; N198-S202 WeakPolarHBondContact O-CB 3.43Å; N198-S202 PolarHBondContact O-N 3.04Å
199K98.1Very high98.1Very high163 Ų16371.8 Ų71.871%0.70936%0.359SS*.Hα-helixtrans-67.8-47.8172.4-172.7-172.2175.3-170.70111.9Q195 K196 Y197 Q201 S202 Q203Q195-K199 PolarHBondContact O-N 2.89Å; K196-K199 PolarHBondContact O-N 3.25Å; Y197-K199 PolarHBondContact O-N 3.44Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-Q201 PolarHBondContact O-N 2.91Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-Q203 PolarHBondContact O-N 2.74Å
200E97.7Very high98.1Very high58 Ų5869.6 Ų69.627%0.27135%0.348SS..Hα-helixtrans-60.7-44177.9-16480.6167.500111.1S126 L127 T130 K196 Y197 S202 Q203 F204S126-E200 WeakPolarHBondContact CB-OE1 3.36Å; S126-E200 PolarHBondContact OG-OE1 2.89Å; L127-E200 HydrophobicContact CD1-CB 4.36Å; L127-E200 HydrophobicContact CD1-CG 4.22Å; T130-E200 HydrophobicContact CG2-CG 4.22Å; K196-E200 PolarHBondContact O-N 3.36Å; Y197-E200 PolarHBondContact O-N 3.45Å; Y197-E200 VanDerWaalsContact O-N 3.13Å; E200-S202 PolarHBondContact O-N 2.82Å; E200-Q203 PolarHBondContact O-N 3.04Å; E200-F204 WeakPolarHBondContact O-CB 3.46Å; E200-F204 PolarHBondContact O-N 3.21Å
201Q98.3Very high98Very high70 Ų7071.6 Ų71.633%0.32736%0.362SS..Hα-helixtrans-59.7-44.1175.9-173.6-177.775.600111.7L127 Y197 K199 F204 Y205L127-Q201 HydrophobicContact CD1-CB 3.95Å; Y197-Q201 HydrophobicContact CE1-CB 4.33Å; Y197-Q201 VanDerWaalsContact CE1-NE2 3.34Å; Y197-Q201 VanDerWaalsContact O-CB 3.28Å; Y197-Q201 WeakPolarHBondContact O-CB 3.42Å; Y197-Q201 PolarHBondContact O-N 2.68Å; Y197-Q201 PolarHBondContact OH-NE2 3.41Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-Q201 PolarHBondContact O-N 2.91Å; Q201-F204 PolarHBondContact O-N 2.99Å; Q201-Y205 HydrophobicContact CG-CD2 3.71Å; Q201-Y205 HydrophobicContact CG-CE2 3.75Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.47Å; Q201-Y205 PolarHBondContact O-N 2.61Å; Q201-Y205 VanDerWaalsContact O-N 3.08Å
202S98.1Very high98Very high65 Ų6569.6 Ų69.646%0.45534%0.344SS..Hα-helixtrans-65.9-38.5176.5-171.60000112.4N198 K199 E200 F206N198-S202 WeakPolarHBondContact O-CB 3.43Å; N198-S202 PolarHBondContact O-N 3.04Å; K199-S202 PolarHBondContact O-N 2.94Å; E200-S202 PolarHBondContact O-N 2.82Å; S202-F206 WeakPolarHBondContact O-CB 3.02Å; S202-F206 WeakPolarHBondContact O-CD2 3.42Å; S202-F206 PolarHBondContact O-N 2.85Å; S202-F206 VanDerWaalsContact O-N 3.16Å
203Q97.4Very high98.1Very high76 Ų7667 Ų6736%0.35532%0.323SS..Hα-helixtrans-68-41.7176.1177.762.624.600111.1K199 E200 N207 D208K199-Q203 PolarHBondContact O-N 2.74Å; E200-Q203 PolarHBondContact O-N 3.04Å; Q203-N207 PolarHBondContact NE2-ND2 3.1Å; Q203-N207 VanDerWaalsContact O-CB 3.3Å; Q203-N207 WeakPolarHBondContact O-CB 3.27Å; Q203-N207 PolarHBondContact O-N 2.92Å; Q203-N207 PolarHBondContact OE1-ND2 3.03Å; Q203-D208 PolarHBondContact NE2-OD1 3.27Å; Q203-D208 PolarHBondContact O-N 2.98Å
204F98.3Very high98.1Very high15 Ų1566.9 Ų66.97%0.06632%0.324CS..Iπ-helixtrans-60.8-54.7178.6-179.8-96.7000112.4A123 Q124 L127 E200 Q201 M209A123-F204 HydrophobicContact CB-CD2 3.88Å; A123-F204 HydrophobicContact CB-CE2 3.84Å; Q124-F204 HydrophobicContact CB-CE2 4.45Å; Q124-F204 HydrophobicContact CG-CE2 3.95Å; Q124-F204 HydrophobicContact CG-CZ 3.86Å; L127-F204 HydrophobicContact CB-CD2 4.34Å; L127-F204 HydrophobicContact CB-CG 4.44Å; L127-F204 HydrophobicContact CD2-CB 4.17Å; L127-F204 HydrophobicContact CD2-CD1 3.54Å; L127-F204 HydrophobicContact CD2-CD2 4.32Å; L127-F204 HydrophobicContact CD2-CE1 3.93Å; L127-F204 HydrophobicContact CD2-CG 3.75Å; L127-F204 HydrophobicContact CD2-CZ 4.48Å; E200-F204 WeakPolarHBondContact O-CB 3.46Å; E200-F204 PolarHBondContact O-N 3.21Å; Q201-F204 PolarHBondContact O-N 2.99Å; F204-M209 HydrophobicContact CD1-CG 4Å; F204-M209 HydrophobicContact CD2-CG 3.82Å; F204-M209 HydrophobicContact CD2-SD 4.4Å; F204-M209 HydrophobicContact CE1-CG 3.63Å; F204-M209 HydrophobicContact CE2-CG 3.4Å; F204-M209 VanDerWaalsContact CE2-CG 3.4Å; F204-M209 HydrophobicContact CE2-SD 3.58Å; F204-M209 VanDerWaalsContact CE2-SD 3.58Å; F204-M209 HydrophobicContact CG-CG 4.1Å; F204-M209 HydrophobicContact CZ-CG 3.31Å; F204-M209 HydrophobicContact CZ-SD 3.7Å; F204-M209 WeakPolarHBondContact O-CB 2.74Å; F204-M209 PolarHBondContact O-N 3Å
205Y97.9Very high98.1Very high79 Ų7967.7 Ų67.731%0.3133%0.325SS..Iπ-helixtrans-81.1-30.1-172.5-71.9-62.7000114.8W8 L127 Q201 P210W8-Y205 AromaticContact CE3-CD1 3.62Å; W8-Y205 HydrophobicContact CE3-CD1 3.62Å; W8-Y205 AromaticContact CE3-CE1 3.55Å; W8-Y205 HydrophobicContact CE3-CE1 3.55Å; W8-Y205 AromaticContact CZ3-CD1 3.88Å; W8-Y205 HydrophobicContact CZ3-CD1 3.88Å; W8-Y205 AromaticContact CZ3-CE1 3.44Å; W8-Y205 HydrophobicContact CZ3-CE1 3.44Å; W8-Y205 VanDerWaalsContact CZ3-CE1 3.44Å; L127-Y205 HydrophobicContact CD2-CE2 4.14Å; Q201-Y205 HydrophobicContact CG-CD2 3.71Å; Q201-Y205 HydrophobicContact CG-CE2 3.75Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.47Å; Q201-Y205 PolarHBondContact O-N 2.61Å; Q201-Y205 VanDerWaalsContact O-N 3.08Å; Y205-P210 WeakPolarHBondContact O-CD 3.44Å; Y205-P210 WeakPolarHBondContact O-CG 3.42Å
206F97Very high98.1Very high167 Ų16760.3 Ų60.373%0.73229%0.29SS*.Iπ-helixtrans-107.94.5-175-59.8-78.6000114.2S202S202-F206 WeakPolarHBondContact O-CB 3.02Å; S202-F206 WeakPolarHBondContact O-CD2 3.42Å; S202-F206 PolarHBondContact O-N 2.85Å; S202-F206 VanDerWaalsContact O-N 3.16Å
207N96.7Very high98.1Very high67 Ų6757.5 Ų57.536%0.35828%0.279SS..Iπ-helixtrans-144.8-65.8-179-160.60.3000112.1Q203 L211Q203-N207 PolarHBondContact NE2-ND2 3.1Å; Q203-N207 VanDerWaalsContact O-CB 3.3Å; Q203-N207 WeakPolarHBondContact O-CB 3.27Å; Q203-N207 PolarHBondContact O-N 2.92Å; Q203-N207 PolarHBondContact OE1-ND2 3.03Å; N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 VanDerWaalsContact O-CG 3.23Å; N207-L211 WeakPolarHBondContact O-CG 3.39Å; N207-L211 PolarHBondContact O-N 3.17Å; N207-L211 VanDerWaalsContact O-N 3.11Å; N207-L211 VanDerWaalsContact OD1-CD1 3.31Å; N207-L211 WeakPolarHBondContact OD1-CD1 3.44Å
208D97.4Very high98.1Very high54 Ų5459.5 Ų59.529%0.28929%0.291SS..Iπ-helixtrans-65.1-57.2-171.1-65.6-17.8000112.5Q203 L211 I212Q203-D208 PolarHBondContact NE2-OD1 3.27Å; Q203-D208 PolarHBondContact O-N 2.98Å; D208-L211 PolarHBondContact O-N 2.96Å; D208-I212 WeakPolarHBondContact O-CD1 3.48Å; D208-I212 VanDerWaalsContact O-CG1 3.23Å; D208-I212 WeakPolarHBondContact O-CG1 3.47Å; D208-I212 PolarHBondContact O-N 3.31Å
209M97.9Very high98.1Very high4 Ų455.8 Ų55.82%0.0227%0.271CS..Hα-helixtrans-64.1-43.8-178.7-69.6-58.4-54.800112.6A120 A123 F204 L211 I212 F213A120-M209 HydrophobicContact CB-CE 4.14Å; A120-M209 HydrophobicContact CB-SD 4.15Å; A123-M209 HydrophobicContact CB-SD 4.43Å; F204-M209 HydrophobicContact CD1-CG 4Å; F204-M209 HydrophobicContact CD2-CG 3.82Å; F204-M209 HydrophobicContact CD2-SD 4.4Å; F204-M209 HydrophobicContact CE1-CG 3.63Å; F204-M209 HydrophobicContact CE2-CG 3.4Å; F204-M209 VanDerWaalsContact CE2-CG 3.4Å; F204-M209 HydrophobicContact CE2-SD 3.58Å; F204-M209 VanDerWaalsContact CE2-SD 3.58Å; F204-M209 HydrophobicContact CG-CG 4.1Å; F204-M209 HydrophobicContact CZ-CG 3.31Å; F204-M209 HydrophobicContact CZ-SD 3.7Å; F204-M209 WeakPolarHBondContact O-CB 2.74Å; F204-M209 PolarHBondContact O-N 3Å; M209-L211 VanDerWaalsContact C-N 3.35Å; M209-L211 PolarHBondContact O-N 3.37Å; M209-I212 PolarHBondContact O-N 3.48Å; M209-F213 HydrophobicContact CE-CD1 4.05Å; M209-F213 HydrophobicContact CE-CD2 4.44Å; M209-F213 HydrophobicContact CE-CE1 3.37Å; M209-F213 HydrophobicContact CE-CE2 3.8Å; M209-F213 HydrophobicContact CE-CZ 3.22Å; M209-F213 PolarHBondContact O-N 3.16Å
210P98.1Very high98.1Very high20 Ų2048.3 Ų48.313%0.1324%0.239CC..Hα-helixtrans-57.4-43.8175.3-28.135.4000113.9G4 Y205 N214G4-P210 VanDerWaalsContact CA-CA 3.45Å; Y205-P210 WeakPolarHBondContact O-CD 3.44Å; Y205-P210 WeakPolarHBondContact O-CG 3.42Å; P210-N214 VanDerWaalsContact O-CB 3.32Å; P210-N214 WeakPolarHBondContact O-CB 3.48Å; P210-N214 VanDerWaalsContact O-CG 3.24Å; P210-N214 PolarHBondContact O-N 3.16Å; P210-N214 PolarHBondContact O-ND2 3.2Å
211L98.3Very high98.2Very high99 Ų9949 Ų4952%0.51824%0.242SC..Hα-helixtrans-64.1-43.4177.1-72.6174.1000111.8N207 D208 M209 N214 K215N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 VanDerWaalsContact O-CG 3.23Å; N207-L211 WeakPolarHBondContact O-CG 3.39Å; N207-L211 PolarHBondContact O-N 3.17Å; N207-L211 VanDerWaalsContact O-N 3.11Å; N207-L211 VanDerWaalsContact OD1-CD1 3.31Å; N207-L211 WeakPolarHBondContact OD1-CD1 3.44Å; D208-L211 PolarHBondContact O-N 2.96Å; M209-L211 VanDerWaalsContact C-N 3.35Å; M209-L211 PolarHBondContact O-N 3.37Å; L211-N214 PolarHBondContact O-N 2.83Å; L211-K215 WeakPolarHBondContact O-CG 3.44Å; L211-K215 PolarHBondContact O-N 2.79Å
212I98.6Very high98.2Very high10 Ų1048.5 Ų48.55%0.05124%0.237CC..Hα-helixtrans-67.7-40.4-178.4-63.4159.7000111.5Y116 E119 A120 D208 M209 K215 L216Y116-I212 VanDerWaalsContact O-CG2 3.3Å; Y116-I212 WeakPolarHBondContact O-CG2 3.19Å; E119-I212 HydrophobicContact CB-CD1 3.86Å; E119-I212 HydrophobicContact CB-CG1 4.15Å; A120-I212 HydrophobicContact CB-CD1 4.46Å; A120-I212 HydrophobicContact CB-CG2 3.97Å; D208-I212 WeakPolarHBondContact O-CD1 3.48Å; D208-I212 VanDerWaalsContact O-CG1 3.23Å; D208-I212 WeakPolarHBondContact O-CG1 3.47Å; D208-I212 PolarHBondContact O-N 3.31Å; M209-I212 PolarHBondContact O-N 3.48Å; I212-K215 PolarHBondContact O-N 3.34Å; I212-L216 HydrophobicContact CG2-CD1 4.31Å; I212-L216 PolarHBondContact O-N 2.83Å; I212-L216 VanDerWaalsContact O-N 3.09Å
213F98.7Very high98.2Very high1 Ų145.9 Ų45.90%0.00422%0.218CC..Hα-helixtrans-69.5-34.7176-73.8-7.1000112.7W3 L7 Y11 I14 M209 L216 Q217W3-F213 HydrophobicContact CB-CB 4.11Å; L7-F213 WeakPolarHBondContact O-CE2 3.43Å; Y11-F213 AromaticContact CD2-CE1 3.91Å; Y11-F213 HydrophobicContact CD2-CE1 3.91Å; Y11-F213 HydrophobicContact CD2-CZ 4.11Å; I14-F213 HydrophobicContact CD1-CB 4.31Å; I14-F213 HydrophobicContact CD1-CD1 3.86Å; I14-F213 HydrophobicContact CD1-CD2 3.64Å; I14-F213 HydrophobicContact CD1-CE1 3.96Å; I14-F213 HydrophobicContact CD1-CE2 3.78Å; I14-F213 HydrophobicContact CD1-CG 3.69Å; I14-F213 HydrophobicContact CD1-CZ 3.92Å; M209-F213 HydrophobicContact CE-CD1 4.05Å; M209-F213 HydrophobicContact CE-CD2 4.44Å; M209-F213 HydrophobicContact CE-CE1 3.37Å; M209-F213 HydrophobicContact CE-CE2 3.8Å; M209-F213 HydrophobicContact CE-CZ 3.22Å; M209-F213 PolarHBondContact O-N 3.16Å; F213-L216 HydrophobicContact CD1-CD1 4.22Å; F213-L216 PolarHBondContact O-N 2.62Å; F213-Q217 PolarHBondContact O-N 2.9Å
214N98.5Very high98.3Very high50 Ų5046.7 Ų46.727%0.26722%0.223SC..Hα-helixtrans-72.2-30.6175.6-70.9-11.9000112.8D2 W3 G4 P210 L211 Q217 D218D2-N214 WeakPolarHBondContact CB-OD1 3.2Å; D2-N214 PolarHBondContact OD1-ND2 2.62Å; D2-N214 PolarHBondContact OD1-OD1 2.94Å; W3-N214 PolarHBondContact N-OD1 3.04Å; G4-N214 WeakPolarHBondContact CA-OD1 3.32Å; G4-N214 PolarHBondContact N-OD1 3.45Å; P210-N214 VanDerWaalsContact O-CB 3.32Å; P210-N214 WeakPolarHBondContact O-CB 3.48Å; P210-N214 VanDerWaalsContact O-CG 3.24Å; P210-N214 PolarHBondContact O-N 3.16Å; P210-N214 PolarHBondContact O-ND2 3.2Å; L211-N214 PolarHBondContact O-N 2.83Å; N214-Q217 PolarHBondContact O-N 2.73Å; N214-D218 PolarHBondContact O-N 2.97Å; N214-D218 VanDerWaalsContact O-N 3.15Å
215K98.6Very high98.3Very high73 Ų7352.3 Ų52.332%0.31724%0.244SC..Hα-helixtrans-61.9-44.4165.2-67173-170.8-178.20111.9Y116 E119 L211 I212 Q217 D218 L219Y116-K215 HydrophobicContact CD1-CD 3.77Å; Y116-K215 HydrophobicContact CD2-CB 3.69Å; Y116-K215 HydrophobicContact CD2-CD 4.32Å; Y116-K215 HydrophobicContact CE1-CD 3.65Å; Y116-K215 HydrophobicContact CE2-CB 3.58Å; Y116-K215 HydrophobicContact CE2-CD 4.18Å; Y116-K215 HydrophobicContact CE2-CG 4.33Å; Y116-K215 HydrophobicContact CG-CB 4.22Å; Y116-K215 HydrophobicContact CG-CD 4.13Å; E119-K215 IonicContact OE1-NZ 2.69Å; E119-K215 PolarHBondContact OE1-NZ 3.35Å; E119-K215 IonicContact OE2-NZ 3.34Å; E119-K215 PolarHBondContact OE2-NZ 3.13Å; L211-K215 WeakPolarHBondContact O-CG 3.44Å; L211-K215 PolarHBondContact O-N 2.79Å; I212-K215 PolarHBondContact O-N 3.34Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 2.69Å; K215-D218 PolarHBondContact O-N 2.84Å; K215-L219 WeakPolarHBondContact O-CB 3.47Å; K215-L219 PolarHBondContact O-N 3.05Å
216L98.7Very high98.4Very high0 Ų051 Ų510%024%0.24CC..Hα-helixtrans-66.4-32.9178.6-76.2164.9000112.3W3 I14 R113 Y116 L117 I212 F213 D220W3-L216 HydrophobicContact CE3-CB 4.38Å; W3-L216 HydrophobicContact CZ3-CB 4.27Å; I14-L216 HydrophobicContact CG2-CB 4.22Å; I14-L216 HydrophobicContact CG2-CD1 3.96Å; R113-L216 HydrophobicContact CG-CD2 4.23Å; Y116-L216 HydrophobicContact CD2-CD2 4.19Å; Y116-L216 HydrophobicContact CD2-CG 4.29Å; L117-L216 HydrophobicContact CD2-CD1 4.06Å; I212-L216 HydrophobicContact CG2-CD1 4.31Å; I212-L216 PolarHBondContact O-N 2.83Å; I212-L216 VanDerWaalsContact O-N 3.09Å; F213-L216 HydrophobicContact CD1-CD1 4.22Å; F213-L216 PolarHBondContact O-N 2.62Å; L216-D220 WeakPolarHBondContact O-CB 3.37Å; L216-D220 PolarHBondContact O-N 2.71Å
217Q98.8Very high98.4Very high32 Ų3243.5 Ų43.515%0.1521%0.207CC..Hα-helixtrans-64.7-49.9172.2-175.6-178.4-28.600111.8D2 W3 F213 N214 K215 L219 D220 E221D2-Q217 VanDerWaalsContact CA-OE1 3.27Å; W3-Q217 HydrophobicContact CB-CB 4.35Å; W3-Q217 HydrophobicContact CD2-CB 3.62Å; W3-Q217 HydrophobicContact CD2-CG 3.96Å; W3-Q217 HydrophobicContact CE3-CB 3.79Å; W3-Q217 HydrophobicContact CG-CB 3.87Å; W3-Q217 HydrophobicContact CG-CG 4.1Å; W3-Q217 HydrophobicContact CZ2-CG 4.41Å; W3-Q217 HydrophobicContact CZ3-CB 4.34Å; F213-Q217 PolarHBondContact O-N 2.9Å; N214-Q217 PolarHBondContact O-N 2.73Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 2.69Å; Q217-L219 VanDerWaalsContact C-N 3.29Å; Q217-L219 PolarHBondContact O-N 3.13Å; Q217-D220 WeakPolarHBondContact O-CB 3.31Å; Q217-D220 PolarHBondContact O-N 2.78Å; Q217-D220 VanDerWaalsContact O-N 3.08Å; Q217-E221 HydrophobicContact CG-CG 4.45Å; Q217-E221 PolarHBondContact NE2-OE1 2.97Å; Q217-E221 PolarHBondContact O-N 2.99Å
218D98.7Very high98.5Very high69 Ų6941.6 Ų41.637%0.36920%0.203SC..Hα-helixtrans-61.8-37.3178.7170.961.5000112.1N214 K215 E221 R222 R225N214-D218 PolarHBondContact O-N 2.97Å; N214-D218 VanDerWaalsContact O-N 3.15Å; K215-D218 PolarHBondContact O-N 2.84Å; D218-E221 PolarHBondContact O-N 2.92Å; D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.42Å; D218-R222 WeakPolarHBondContact O-CG 3.31Å; D218-R222 PolarHBondContact O-N 3.33Å; D218-R222 IonicContact OD1-NE 2.62Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 IonicContact OD2-NE 2.71Å; D218-R222 PolarHBondContact OD2-NE 3.38Å; D218-R222 IonicContact OD2-NH2 3.39Å; D218-R222 PolarHBondContact OD2-NH2 2.9Å; D218-R225 IonicContact OD1-NH2 3.91Å
219L98.6Very high98.6Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-58.4-46.8170.8-170.2167.6000111.4L109 E112 R113 Y116 K215 Q217 R222 R223L109-L219 HydrophobicContact CB-CD2 4.48Å; L109-L219 HydrophobicContact CD2-CD2 3.93Å; L109-L219 HydrophobicContact CD2-CG 3.88Å; E112-L219 HydrophobicContact CB-CD1 3.9Å; E112-L219 HydrophobicContact CG-CD1 3.76Å; R113-L219 HydrophobicContact CB-CD1 3.84Å; Y116-L219 HydrophobicContact CD2-CD1 4.2Å; Y116-L219 HydrophobicContact CE2-CD1 4.26Å; K215-L219 WeakPolarHBondContact O-CB 3.47Å; K215-L219 PolarHBondContact O-N 3.05Å; Q217-L219 VanDerWaalsContact C-N 3.29Å; Q217-L219 PolarHBondContact O-N 3.13Å; L219-R222 PolarHBondContact O-N 2.92Å; L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 3.06Å
220D98.8Very high98.6Very high5 Ų544 Ų443%0.02721%0.213CC..Hα-helixtrans-62.5-46.8178.1-149.484000111.9W3 H17 L216 Q217 R223 I224W3-D220 HydrophobicContact CH2-CB 3.54Å; W3-D220 HydrophobicContact CZ2-CB 4.19Å; W3-D220 HydrophobicContact CZ3-CB 4.24Å; H17-D220 IonicContact CD2-OD1 3.19Å; H17-D220 PolarHBondContact CD2-OD1 3.24Å; H17-D220 IonicContact CD2-OD2 3.4Å; H17-D220 IonicContact CE1-OD2 3.65Å; H17-D220 VanDerWaalsContact NE2-CG 3.28Å; H17-D220 IonicContact NE2-OD1 2.73Å; H17-D220 PolarHBondContact NE2-OD1 3.26Å; H17-D220 IonicContact NE2-OD2 2.75Å; H17-D220 PolarHBondContact NE2-OD2 2.74Å; L216-D220 WeakPolarHBondContact O-CB 3.37Å; L216-D220 PolarHBondContact O-N 2.71Å; Q217-D220 WeakPolarHBondContact O-CB 3.31Å; Q217-D220 PolarHBondContact O-N 2.78Å; Q217-D220 VanDerWaalsContact O-N 3.08Å; D220-R223 VanDerWaalsContact CG-NH1 3.31Å; D220-R223 WeakPolarHBondContact O-CB 3.41Å; D220-R223 PolarHBondContact O-N 3.2Å; D220-R223 IonicContact OD1-CZ 3.75Å; D220-R223 IonicContact OD1-NH1 2.66Å; D220-R223 PolarHBondContact OD1-NH1 2.72Å; D220-R223 IonicContact OD1-NH2 2.67Å; D220-R223 PolarHBondContact OD1-NH2 3.11Å; D220-R223 VanDerWaalsContact OD1-NH2 3.17Å; D220-R223 IonicContact OD2-CZ 2.69Å; D220-R223 IonicContact OD2-NH1 3.7Å; D220-R223 IonicContact OD2-NH2 3.74Å; D220-R223 PolarHBondContact OD2-NH2 3.26Å; D220-I224 VanDerWaalsContact O-CG1 3.27Å; D220-I224 WeakPolarHBondContact O-CG1 3.27Å; D220-I224 PolarHBondContact O-N 2.85Å; D220-I224 WeakPolarHBondContact OD2-CD1 3.31Å
221E98.8Very high98.7Very high73 Ų7348.1 Ų48.134%0.34123%0.227SC..Hα-helixtrans-65.8-41.5177.5-70.8-175.8-156.700112.5Q217 D218 I224 R225Q217-E221 HydrophobicContact CG-CG 4.45Å; Q217-E221 PolarHBondContact NE2-OE1 2.97Å; Q217-E221 PolarHBondContact O-N 2.99Å; D218-E221 PolarHBondContact O-N 2.92Å; E221-I224 PolarHBondContact O-N 2.88Å; E221-R225 WeakPolarHBondContact O-CB 3.48Å; E221-R225 VanDerWaalsContact O-CG 3.31Å; E221-R225 WeakPolarHBondContact O-CG 3.26Å; E221-R225 PolarHBondContact O-N 2.91Å; E221-R225 PolarHBondContact O-NE 2.9Å; E221-R225 IonicContact OE2-CZ 3.24Å; E221-R225 IonicContact OE2-NH1 2.82Å; E221-R225 PolarHBondContact OE2-NH1 2.84Å; E221-R225 IonicContact OE2-NH2 2.77Å
222R98.7Very high98.7Very high59 Ų5948 Ų4822%0.22323%0.226CC..Hα-helixtrans-59.3-46.3173.5-87.6-172.8-80.5122.5-7.6111.4E112 D218 L219 I224 R225 K226E112-R222 IonicContact OE1-CZ 3.97Å; E112-R222 IonicContact OE1-NH1 3.83Å; E112-R222 PolarHBondContact OE1-NH1 3.27Å; E112-R222 IonicContact OE1-NH2 2.79Å; E112-R222 PolarHBondContact OE1-NH2 2.91Å; E112-R222 IonicContact OE2-CZ 3.72Å; E112-R222 IonicContact OE2-NH1 3.66Å; E112-R222 PolarHBondContact OE2-NH1 2.98Å; E112-R222 IonicContact OE2-NH2 2.73Å; D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.42Å; D218-R222 WeakPolarHBondContact O-CG 3.31Å; D218-R222 PolarHBondContact O-N 3.33Å; D218-R222 IonicContact OD1-NE 2.62Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 IonicContact OD2-NE 2.71Å; D218-R222 PolarHBondContact OD2-NE 3.38Å; D218-R222 IonicContact OD2-NH2 3.39Å; D218-R222 PolarHBondContact OD2-NH2 2.9Å; L219-R222 PolarHBondContact O-N 2.92Å; R222-I224 PolarHBondContact O-N 3.43Å; R222-R225 PolarHBondContact O-N 2.97Å; R222-K226 WeakPolarHBondContact O-CB 3.48Å; R222-K226 PolarHBondContact O-N 3.32Å
223R98.8Very high98.7Very high11 Ų1149.4 Ų49.44%0.04223%0.233CC..Hα-helixtrans-58.4-47.2175.1-175.2-15867.8-123-15.4111.3G21 V25 L109 L219 D220 K226 L227G21-R223 VanDerWaalsContact O-CD 3.25Å; G21-R223 WeakPolarHBondContact O-CD 3.48Å; G21-R223 PolarHBondContact O-NE 2.8Å; V25-R223 HydrophobicContact CG2-CG 3.8Å; L109-R223 HydrophobicContact CD1-CB 3.77Å; L109-R223 HydrophobicContact CD1-CG 3.8Å; L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 3.06Å; D220-R223 VanDerWaalsContact CG-NH1 3.31Å; D220-R223 WeakPolarHBondContact O-CB 3.41Å; D220-R223 PolarHBondContact O-N 3.2Å; D220-R223 IonicContact OD1-CZ 3.75Å; D220-R223 IonicContact OD1-NH1 2.66Å; D220-R223 PolarHBondContact OD1-NH1 2.72Å; D220-R223 IonicContact OD1-NH2 2.67Å; D220-R223 PolarHBondContact OD1-NH2 3.11Å; D220-R223 VanDerWaalsContact OD1-NH2 3.17Å; D220-R223 IonicContact OD2-CZ 2.69Å; D220-R223 IonicContact OD2-NH1 3.7Å; D220-R223 IonicContact OD2-NH2 3.74Å; D220-R223 PolarHBondContact OD2-NH2 3.26Å; R223-K226 PolarHBondContact O-N 3.31Å; R223-L227 VanDerWaalsContact O-CB 3.31Å; R223-L227 WeakPolarHBondContact O-CB 3.47Å; R223-L227 PolarHBondContact O-N 3.42Å
224I98.8Very high98.7Very high92 Ų9251.4 Ų51.447%0.47224%0.242SC..Hα-helixtrans-60.1-46.5178.1-69.2163.1000110.9D220 E221 R222 L227 G228D220-I224 VanDerWaalsContact O-CG1 3.27Å; D220-I224 WeakPolarHBondContact O-CG1 3.27Å; D220-I224 PolarHBondContact O-N 2.85Å; D220-I224 WeakPolarHBondContact OD2-CD1 3.31Å; E221-I224 PolarHBondContact O-N 2.88Å; R222-I224 PolarHBondContact O-N 3.43Å; I224-L227 PolarHBondContact O-N 2.9Å; I224-G228 PolarHBondContact O-N 3.39Å
225R98.8Very high98.7Very high134 Ų13451.6 Ų51.651%0.50625%0.247SC..Hα-helixtrans-60.3-46177.7-72.3-179.6-72.3-116.92.8112.1D218 E221 R222 G228 H229D218-R225 IonicContact OD1-NH2 3.91Å; E221-R225 WeakPolarHBondContact O-CB 3.48Å; E221-R225 VanDerWaalsContact O-CG 3.31Å; E221-R225 WeakPolarHBondContact O-CG 3.26Å; E221-R225 PolarHBondContact O-N 2.91Å; E221-R225 PolarHBondContact O-NE 2.9Å; E221-R225 IonicContact OE2-CZ 3.24Å; E221-R225 IonicContact OE2-NH1 2.82Å; E221-R225 PolarHBondContact OE2-NH1 2.84Å; E221-R225 IonicContact OE2-NH2 2.77Å; R222-R225 PolarHBondContact O-N 2.97Å; R225-G228 PolarHBondContact O-N 2.95Å; R225-H229 PolarHBondContact O-N 3.07Å
226K98.6Very high98.7Very high51 Ų5150.7 Ų50.722%0.22225%0.246CC..Hα-helixtrans-66.4-42.2177.9-176.778.3157.5170.70112.3D101 L102 Y105 R222 R223 H229 G230D101-K226 IonicContact OD1-NZ 2.82Å; D101-K226 PolarHBondContact OD1-NZ 2.95Å; D101-K226 WeakPolarHBondContact OD2-CE 3.29Å; D101-K226 IonicContact OD2-NZ 2.65Å; D101-K226 PolarHBondContact OD2-NZ 3.49Å; L102-K226 HydrophobicContact CD2-CD 4.34Å; L102-K226 HydrophobicContact CD2-CG 3.67Å; Y105-K226 HydrophobicContact CD1-CB 4.06Å; Y105-K226 HydrophobicContact CD1-CD 4.24Å; Y105-K226 HydrophobicContact CD1-CG 3.57Å; Y105-K226 HydrophobicContact CE1-CB 3.72Å; Y105-K226 HydrophobicContact CE1-CD 4.41Å; Y105-K226 HydrophobicContact CE1-CG 3.74Å; Y105-K226 HydrophobicContact CG-CG 4.3Å; R222-K226 WeakPolarHBondContact O-CB 3.48Å; R222-K226 PolarHBondContact O-N 3.32Å; R223-K226 PolarHBondContact O-N 3.31Å; K226-H229 WeakPolarHBondContact O-CB 3.26Å; K226-H229 PolarHBondContact O-N 2.9Å; K226-G230 PolarHBondContact O-N 2.76Å
227L98.8Very high98.6Very high10 Ų1051.1 Ų51.15%0.05225%0.249CC..Hα-helixtrans-63.3-43.3176.3179.459.1000111.5L24 V25 Y28 R223 I224 H229 G230 Y231L24-L227 HydrophobicContact CD2-CD2 4.01Å; L24-L227 HydrophobicContact CG-CD2 4.08Å; V25-L227 HydrophobicContact CG2-CB 4.41Å; V25-L227 HydrophobicContact CG2-CD1 4.32Å; V25-L227 HydrophobicContact CG2-CD2 4.08Å; Y28-L227 HydrophobicContact CD1-CD1 3.56Å; Y28-L227 HydrophobicContact CE1-CD1 4.33Å; Y28-L227 HydrophobicContact CG-CD1 4Å; R223-L227 VanDerWaalsContact O-CB 3.31Å; R223-L227 WeakPolarHBondContact O-CB 3.47Å; R223-L227 PolarHBondContact O-N 3.42Å; I224-L227 PolarHBondContact O-N 2.9Å; L227-H229 VanDerWaalsContact C-N 3.34Å; L227-H229 PolarHBondContact O-N 3.04Å; L227-G230 WeakPolarHBondContact O-CA 3.27Å; L227-G230 PolarHBondContact O-N 3.19Å; L227-Y231 HydrophobicContact CD1-CE1 3.84Å; L227-Y231 HydrophobicContact CG-CE1 4.2Å; L227-Y231 HydrophobicContact CG-CE2 4.06Å; L227-Y231 PolarHBondContact O-N 3.17Å; L227-Y231 VanDerWaalsContact O-N 3.07Å
228G98.7Very high98.6Very high26 Ų2651.9 Ų51.927%0.26825%0.252SS..Hα-helixtrans-60.4-40.1173.900000113.1I224 R225 G230 Y231 I232I224-G228 PolarHBondContact O-N 3.39Å; R225-G228 PolarHBondContact O-N 2.95Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.98Å; G228-Y231 WeakPolarHBondContact O-CB 3.49Å; G228-Y231 PolarHBondContact O-N 3.31Å; G228-I232 PolarHBondContact O-N 3.16Å
229H98.6Very high98.6Very high105 Ų10553.3 Ų53.349%0.48626%0.255SS..Hα-helixtrans-62.4-39.7171.3-175.2-110.5000112R225 K226 L227 Y231 I232 L233R225-H229 PolarHBondContact O-N 3.07Å; K226-H229 WeakPolarHBondContact O-CB 3.26Å; K226-H229 PolarHBondContact O-N 2.9Å; L227-H229 VanDerWaalsContact C-N 3.34Å; L227-H229 PolarHBondContact O-N 3.04Å; H229-Y231 VanDerWaalsContact C-N 3.28Å; H229-Y231 PolarHBondContact O-N 2.98Å; H229-I232 PolarHBondContact O-N 2.94Å; H229-I232 VanDerWaalsContact O-N 3.17Å; H229-L233 WeakPolarHBondContact O-CB 3.2Å; H229-L233 PolarHBondContact O-N 2.85Å
230G98.6Very high98.5Very high3 Ų359.2 Ų59.23%0.03129%0.287CS..Hα-helixtrans-61.1-29.8173.300000114.4Y28 K226 L227 G228 F234Y28-G230 PolarHBondContact OH-O 3.19Å; K226-G230 PolarHBondContact O-N 2.76Å; L227-G230 WeakPolarHBondContact O-CA 3.27Å; L227-G230 PolarHBondContact O-N 3.19Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.98Å; G230-F234 PolarHBondContact O-N 3.35Å
231Y98.7Very high98.5Very high107 Ų10759.3 Ų59.342%0.4229%0.288SS..Hα-helixtrans-73.4-39.5172-59.4-33.4000112.6Y28 L227 G228 H229Y28-Y231 HydrophobicContact CD1-CD1 4.31Å; Y28-Y231 AromaticContact CD1-CE1 3.98Å; Y28-Y231 HydrophobicContact CD1-CE1 3.98Å; Y28-Y231 HydrophobicContact CD2-CD1 4.08Å; Y28-Y231 AromaticContact CD2-CE1 3.6Å; Y28-Y231 HydrophobicContact CD2-CE1 3.6Å; Y28-Y231 AromaticContact CE1-CD1 3.87Å; Y28-Y231 HydrophobicContact CE1-CD1 3.87Å; Y28-Y231 HydrophobicContact CE1-CE1 4.02Å; Y28-Y231 AromaticContact CE2-CD1 3.62Å; Y28-Y231 HydrophobicContact CE2-CD1 3.62Å; Y28-Y231 AromaticContact CE2-CE1 3.65Å; Y28-Y231 HydrophobicContact CE2-CE1 3.65Å; Y28-Y231 HydrophobicContact CG-CD1 4.4Å; Y28-Y231 AromaticContact CG-CE1 3.77Å; Y28-Y231 HydrophobicContact CG-CE1 3.77Å; Y28-Y231 AromaticContact CZ-CD1 3.5Å; Y28-Y231 VanDerWaalsContact CZ-CD1 3.5Å; Y28-Y231 AromaticContact CZ-CE1 3.87Å; L227-Y231 HydrophobicContact CD1-CE1 3.84Å; L227-Y231 HydrophobicContact CG-CE1 4.2Å; L227-Y231 HydrophobicContact CG-CE2 4.06Å; L227-Y231 PolarHBondContact O-N 3.17Å; L227-Y231 VanDerWaalsContact O-N 3.07Å; G228-Y231 WeakPolarHBondContact O-CB 3.49Å; G228-Y231 PolarHBondContact O-N 3.31Å; H229-Y231 VanDerWaalsContact C-N 3.28Å; H229-Y231 PolarHBondContact O-N 2.98Å
232I98.6Very high98.4Very high96 Ų9661.8 Ų61.849%0.49230%0.3SS..Hα-helixtrans-65-49.4177.2-66.6167.2000109.7G228 H229 F234 S235 D236G228-I232 PolarHBondContact O-N 3.16Å; H229-I232 PolarHBondContact O-N 2.94Å; H229-I232 VanDerWaalsContact O-N 3.17Å; I232-F234 VanDerWaalsContact C-N 3.3Å; I232-F234 PolarHBondContact O-N 2.89Å; I232-S235 WeakPolarHBondContact O-CA 3.43Å; I232-S235 WeakPolarHBondContact O-CB 3.5Å; I232-S235 PolarHBondContact O-N 3.27Å; I232-D236 WeakPolarHBondContact CG2-OD2 3.35Å; I232-D236 PolarHBondContact O-N 2.98Å
233L98.5Very high98.4Very high41 Ų4162.9 Ų62.922%0.21532%0.315CS..Hα-helixtrans-58.2-38.8-178.9-177.653.8000112.8N97 I98 H229 S235 D236 T237N97-L233 HydrophobicContact CB-CD2 3.89Å; N97-L233 VanDerWaalsContact O-CD2 3.26Å; N97-L233 WeakPolarHBondContact O-CD2 3.25Å; I98-L233 HydrophobicContact CD1-CG 4.27Å; I98-L233 HydrophobicContact CG1-CB 4.44Å; I98-L233 HydrophobicContact CG1-CD2 3.91Å; I98-L233 HydrophobicContact CG1-CG 3.93Å; H229-L233 WeakPolarHBondContact O-CB 3.2Å; H229-L233 PolarHBondContact O-N 2.85Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 2.94Å; L233-D236 PolarHBondContact O-N 2.97Å; L233-T237 PolarHBondContact O-N 3.37Å; L233-T237 PolarHBondContact O-OG1 3.03Å
234F98.6Very high98.4Very high43 Ų4365.4 Ų65.419%0.18933%0.329CS..Hα-helixtrans-55.9-45.4172.4-176.3-78.7000112.4Y28 F31 V32 R35 M94 I98 G230 I232Y28-F234 WeakPolarHBondContact OH-CB 3.42Å; F31-F234 HydrophobicContact CE1-CE2 4.3Å; F31-F234 HydrophobicContact CE1-CZ 4.5Å; V32-F234 HydrophobicContact CG1-CD2 4.26Å; V32-F234 HydrophobicContact CG1-CE2 4.41Å; V32-F234 HydrophobicContact CG2-CD2 3.95Å; V32-F234 HydrophobicContact CG2-CE2 4.18Å; R35-F234 HydrophobicContact CG-CE2 3.88Å; R35-F234 HydrophobicContact CG-CZ 3.86Å; M94-F234 HydrophobicContact CE-CD1 4.06Å; M94-F234 HydrophobicContact CE-CD2 3.69Å; M94-F234 HydrophobicContact CE-CE1 4.02Å; M94-F234 HydrophobicContact CE-CE2 3.67Å; M94-F234 HydrophobicContact CE-CG 3.89Å; M94-F234 HydrophobicContact CE-CZ 3.84Å; M94-F234 HydrophobicContact SD-CD2 4Å; M94-F234 HydrophobicContact SD-CE2 3.82Å; M94-F234 HydrophobicContact SD-CZ 4.41Å; I98-F234 HydrophobicContact CD1-CB 3.85Å; I98-F234 HydrophobicContact CD1-CD2 4.31Å; G230-F234 PolarHBondContact O-N 3.35Å; I232-F234 VanDerWaalsContact C-N 3.3Å; I232-F234 PolarHBondContact O-N 2.89Å
235S98.4Very high98.4Very high53 Ų5362.1 Ų62.137%0.37131%0.312SS..Hα-helixtrans-69.8-37.4178.9-171.60000112I232 L233 K239I232-S235 WeakPolarHBondContact O-CA 3.43Å; I232-S235 WeakPolarHBondContact O-CB 3.5Å; I232-S235 PolarHBondContact O-N 3.27Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 2.94Å; S235-K239 WeakPolarHBondContact O-CE 3.33Å; S235-K239 WeakPolarHBondContact O-CG 3.48Å; S235-K239 PolarHBondContact O-N 3.3Å; S235-K239 WeakPolarHBondContact OG-CE 3.44Å; S235-K239 PolarHBondContact OG-NZ 3.06Å
236D98.4Very high98.3Very high55 Ų5556.9 Ų56.929%0.29430%0.3SS..Hα-helixtrans-75.1-31.7-178.6-67.5-17.9000112.5I232 L233 E238 K239 N240I232-D236 WeakPolarHBondContact CG2-OD2 3.35Å; I232-D236 PolarHBondContact O-N 2.98Å; L233-D236 PolarHBondContact O-N 2.97Å; D236-E238 PolarHBondContact O-N 3.32Å; D236-K239 PolarHBondContact O-N 3.37Å; D236-K239 WeakPolarHBondContact OD1-CD 3.5Å; D236-K239 IonicContact OD1-NZ 3.32Å; D236-K239 PolarHBondContact OD1-NZ 3.33Å; D236-N240 WeakPolarHBondContact O-CB 3.44Å; D236-N240 PolarHBondContact O-N 3.23Å; D236-N240 PolarHBondContact O-ND2 2.94Å; D236-N240 PolarHBondContact O-OD1 2.89Å
237T98.3Very high98.3Very high9 Ų960.5 Ų60.56%0.05532%0.316CS..Hα-helixtrans-58.8-45.4172-57.70000112.1I90 N93 M94 L233 N240I90-T237 HydrophobicContact CB-CG2 4.32Å; I90-T237 HydrophobicContact CG1-CG2 4.35Å; I90-T237 HydrophobicContact CG2-CG2 4.1Å; N93-T237 HydrophobicContact CB-CG2 3.58Å; M94-T237 HydrophobicContact CG-CG2 4.16Å; L233-T237 PolarHBondContact O-N 3.37Å; L233-T237 PolarHBondContact O-OG1 3.03Å; T237-N240 PolarHBondContact O-N 2.93Å
238E97.6Very high98.3Very high47 Ų4760.3 Ų60.322%0.2232%0.315CS..Hα-helixtrans-66.8-39.1175.5-71.7-97.2-157.900111.8R35 R87 I90 M94 D236 N240 V241 M242R35-E238 IonicContact CZ-OE1 3.65Å; R35-E238 IonicContact NH2-OE1 2.76Å; R35-E238 PolarHBondContact NH2-OE1 3.48Å; R87-E238 IonicContact CZ-OE2 3.9Å; R87-E238 VanDerWaalsContact CZ-OE2 3.32Å; R87-E238 IonicContact NH1-OE2 3.68Å; R87-E238 PolarHBondContact NH1-OE2 3.43Å; R87-E238 IonicContact NH2-OE1 3.75Å; R87-E238 PolarHBondContact NH2-OE1 3.25Å; R87-E238 IonicContact NH2-OE2 2.85Å; R87-E238 PolarHBondContact NH2-OE2 3.05Å; I90-E238 HydrophobicContact CD1-CG 4.48Å; I90-E238 VanDerWaalsContact CD1-OE2 3.27Å; I90-E238 WeakPolarHBondContact CD1-OE2 3.46Å; I90-E238 HydrophobicContact CG2-CG 4.37Å; M94-E238 HydrophobicContact CE-CG 3.91Å; D236-E238 PolarHBondContact O-N 3.32Å; E238-N240 PolarHBondContact O-N 3.1Å; E238-V241 WeakPolarHBondContact O-CG2 3.35Å; E238-M242 WeakPolarHBondContact O-CG 3.48Å
239K98.4Very high98.3Very high99 Ų9963.6 Ų63.643%0.4333%0.326SS..Hα-helixtrans-62.3-41.1176.3-70.8167.6-151.6152.40112.7S235 D236 V241 M242S235-K239 WeakPolarHBondContact O-CE 3.33Å; S235-K239 WeakPolarHBondContact O-CG 3.48Å; S235-K239 PolarHBondContact O-N 3.3Å; S235-K239 WeakPolarHBondContact OG-CE 3.44Å; S235-K239 PolarHBondContact OG-NZ 3.06Å; D236-K239 PolarHBondContact O-N 3.37Å; D236-K239 WeakPolarHBondContact OD1-CD 3.5Å; D236-K239 IonicContact OD1-NZ 3.32Å; D236-K239 PolarHBondContact OD1-NZ 3.33Å; K239-V241 PolarHBondContact O-N 3.48Å; K239-M242 WeakPolarHBondContact O-CB 3.45Å; K239-M242 PolarHBondContact O-N 2.9Å
240N97.9Very high98.3Very high124 Ų12465 Ų6566%0.66333%0.333SS*.Hα-helixtrans-62.6-27.8-172.1-74.8-19.1000113.4D236 T237 E238 P243D236-N240 WeakPolarHBondContact O-CB 3.44Å; D236-N240 PolarHBondContact O-N 3.23Å; D236-N240 PolarHBondContact O-ND2 2.94Å; D236-N240 PolarHBondContact O-OD1 2.89Å; T237-N240 PolarHBondContact O-N 2.93Å; E238-N240 PolarHBondContact O-N 3.1Å; N240-P243 WeakPolarHBondContact O-CD 3.5Å
241V97.8Very high98.3Very high8 Ų865.5 Ų65.55%0.04834%0.338CS..Hα-helixtrans-90.3-13.1175.9-58.70000114.2Q86 L89 I90 E238 K239 P243 I244 I245Q86-V241 HydrophobicContact CB-CB 4.2Å; Q86-V241 HydrophobicContact CB-CG1 4.5Å; L89-V241 HydrophobicContact CD2-CG1 4.24Å; I90-V241 HydrophobicContact CD1-CG2 3.42Å; I90-V241 VanDerWaalsContact CD1-CG2 3.42Å; I90-V241 HydrophobicContact CG1-CG1 4.15Å; I90-V241 HydrophobicContact CG1-CG2 3.72Å; E238-V241 WeakPolarHBondContact O-CG2 3.35Å; K239-V241 PolarHBondContact O-N 3.48Å; V241-P243 VanDerWaalsContact C-N 3.31Å; V241-I244 PolarHBondContact O-N 3.39Å; V241-I245 HydrophobicContact CB-CD1 4.45Å; V241-I245 HydrophobicContact CG2-CD1 3.77Å; V241-I245 PolarHBondContact O-N 2.91Å
242M97.3Very high98.3Very high124 Ų12462.5 Ų62.561%0.61133%0.329SS*.Hα-helixtrans-52.8-38.9179.6-65.3-177.672.100113.9E238 K239 I244 I245 G246E238-M242 WeakPolarHBondContact O-CG 3.48Å; K239-M242 WeakPolarHBondContact O-CB 3.45Å; K239-M242 PolarHBondContact O-N 2.9Å; M242-I244 VanDerWaalsContact C-N 3.3Å; M242-I244 PolarHBondContact O-N 2.96Å; M242-I245 PolarHBondContact O-N 3.22Å; M242-G246 PolarHBondContact O-N 2.79Å
243P98.4Very high98.3Very high83 Ų8362.5 Ų62.554%0.53933%0.333SS..Hα-helixtrans-66.7-26177.4-22.335000114.4N240 V241 K247N240-P243 WeakPolarHBondContact O-CD 3.5Å; V241-P243 VanDerWaalsContact C-N 3.31Å; P243-K247 WeakPolarHBondContact O-CG 3.43Å; P243-K247 PolarHBondContact O-N 3.06Å
244I98.3Very high98.3Very high63 Ų6367 Ų6732%0.32335%0.351SS..Hα-helixtrans-87-40.6177-51.8-56.4000110.2Q86 V241 M242 G246 K247 C248Q86-I244 VanDerWaalsContact CD-CG2 3.46Å; Q86-I244 HydrophobicContact CG-CB 3.96Å; Q86-I244 HydrophobicContact CG-CG2 3.65Å; V241-I244 PolarHBondContact O-N 3.39Å; M242-I244 VanDerWaalsContact C-N 3.3Å; M242-I244 PolarHBondContact O-N 2.96Å; I244-G246 PolarHBondContact O-N 2.82Å; I244-K247 HydrophobicContact CD1-CD 4.24Å; I244-K247 WeakPolarHBondContact O-CB 3.29Å; I244-K247 PolarHBondContact O-N 3.24Å; I244-C248 PolarHBondContact O-N 3.38Å
245I98.3Very high98.2Very high24 Ų2465 Ų6512%0.12334%0.342CS..Hα-helixtrans-54.6-42.4169.1-73.5175.5000111Y83 Q86 V241 M242 K247 C248 L249Y83-I245 HydrophobicContact CD2-CB 4.33Å; Y83-I245 HydrophobicContact CD2-CG1 3.93Å; Y83-I245 HydrophobicContact CD2-CG2 3.95Å; Y83-I245 HydrophobicContact CE2-CB 4.34Å; Y83-I245 HydrophobicContact CE2-CD1 4.14Å; Y83-I245 HydrophobicContact CE2-CG1 3.97Å; Y83-I245 HydrophobicContact CE2-CG2 3.63Å; Q86-I245 HydrophobicContact CB-CD1 4.46Å; Q86-I245 HydrophobicContact CB-CG1 4.01Å; Q86-I245 HydrophobicContact CG-CG1 4.4Å; V241-I245 HydrophobicContact CB-CD1 4.45Å; V241-I245 HydrophobicContact CG2-CD1 3.77Å; V241-I245 PolarHBondContact O-N 2.91Å; M242-I245 PolarHBondContact O-N 3.22Å; I245-K247 PolarHBondContact O-N 3.01Å; I245-C248 PolarHBondContact O-N 3.08Å; I245-L249 HydrophobicContact CG2-CD1 4.16Å; I245-L249 WeakPolarHBondContact O-CG 3.34Å; I245-L249 PolarHBondContact O-N 3.33Å; I245-L249 VanDerWaalsContact O-N 3.11Å
246G98.3Very high98Very high24 Ų2464.7 Ų64.725%0.24735%0.348CS..Hα-helixtrans-57-47.4173.800000112.7M242 I244 C248 L249 E250M242-G246 PolarHBondContact O-N 2.79Å; I244-G246 PolarHBondContact O-N 2.82Å; G246-C248 VanDerWaalsContact C-N 3.35Å; G246-C248 PolarHBondContact O-N 3.3Å; G246-L249 PolarHBondContact O-N 2.87Å; G246-E250 WeakPolarHBondContact O-CG 3.41Å; G246-E250 PolarHBondContact O-N 2.82Å
247K98.6Very high98Very high127 Ų12767.2 Ų67.255%0.55237%0.365SS*.Hα-helixtrans-60-40.6176-70.6171.9-175.7177.60112.7P243 I244 I245 L249 E250 G251P243-K247 WeakPolarHBondContact O-CG 3.43Å; P243-K247 PolarHBondContact O-N 3.06Å; I244-K247 HydrophobicContact CD1-CD 4.24Å; I244-K247 WeakPolarHBondContact O-CB 3.29Å; I244-K247 PolarHBondContact O-N 3.24Å; I245-K247 PolarHBondContact O-N 3.01Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.12Å; K247-E250 PolarHBondContact O-N 3.27Å; K247-G251 PolarHBondContact O-N 3.02Å
248C98.6Very high97.8Very high5 Ų570.6 Ų70.63%0.03438%0.383CS..Hα-helixtrans-65.7-37177.8-64.50000112.3E79 I244 I245 G246 G251 I252E79-C248 HydrophobicContact CB-CB 4.33Å; E79-C248 VanDerWaalsContact OE2-CA 3.32Å; E79-C248 WeakPolarHBondContact OE2-CA 3.16Å; E79-C248 PolarHBondContact OE2-SG 2.91Å; E79-C248 VanDerWaalsContact OE2-SG 3.42Å; I244-C248 PolarHBondContact O-N 3.38Å; I245-C248 PolarHBondContact O-N 3.08Å; G246-C248 VanDerWaalsContact C-N 3.35Å; G246-C248 PolarHBondContact O-N 3.3Å; C248-G251 PolarHBondContact O-N 3.25Å; C248-I252 VanDerWaalsContact O-CG1 3.31Å; C248-I252 WeakPolarHBondContact O-CG1 3.06Å; C248-I252 PolarHBondContact O-N 2.86Å
249L98.4Very high97.7Very high95 Ų9571.6 Ų71.650%0.49739%0.392SS..Hα-helixtrans-70-37.3174.5-63.8171.9000112.2I245 G246 K247 T253I245-L249 HydrophobicContact CG2-CD1 4.16Å; I245-L249 WeakPolarHBondContact O-CG 3.34Å; I245-L249 PolarHBondContact O-N 3.33Å; I245-L249 VanDerWaalsContact O-N 3.11Å; G246-L249 PolarHBondContact O-N 2.87Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.12Å; L249-T253 WeakPolarHBondContact O-CB 3.07Å; L249-T253 PolarHBondContact O-N 3.49Å; L249-T253 PolarHBondContact O-OG1 2.64Å
250E98.4Very high97.6Very high136 Ų13670.1 Ų70.164%0.63639%0.389SS*.Hα-helixtrans-63.7-40.3170-72.2173.1-172.400111.7G246 K247 T253 K254G246-E250 WeakPolarHBondContact O-CG 3.41Å; G246-E250 PolarHBondContact O-N 2.82Å; K247-E250 PolarHBondContact O-N 3.27Å; E250-T253 WeakPolarHBondContact O-CB 3.44Å; E250-T253 PolarHBondContact O-N 2.91Å; E250-K254 VanDerWaalsContact O-CB 3.29Å; E250-K254 WeakPolarHBondContact O-CB 3.2Å; E250-K254 PolarHBondContact O-N 3.45Å
251G98.4Very high97.4Very high13 Ų1369.5 Ų69.513%0.13438%0.382CS..Hα-helixtrans-62.6-48.1175.900000112.9E79 K247 C248 T253 K254 A255E79-G251 WeakPolarHBondContact OE1-CA 3.48Å; K247-G251 PolarHBondContact O-N 3.02Å; C248-G251 PolarHBondContact O-N 3.25Å; G251-T253 VanDerWaalsContact C-N 3.3Å; G251-T253 PolarHBondContact O-N 3.23Å; G251-K254 PolarHBondContact O-N 2.87Å; G251-A255 WeakPolarHBondContact O-CB 3.45Å; G251-A255 PolarHBondContact O-N 2.88Å
252I98.2Very high97.3Very high44 Ų4476 Ų7623%0.22641%0.41CS..Hα-helixtrans-57.1-44.2172.4-71.7169000111I76 E79 M80 C248 G256I76-I252 HydrophobicContact CG1-CB 4.42Å; I76-I252 HydrophobicContact CG1-CG1 4.35Å; I76-I252 HydrophobicContact CG1-CG2 4.18Å; I76-I252 HydrophobicContact CG2-CG1 4.27Å; I76-I252 HydrophobicContact CG2-CG2 4.49Å; E79-I252 HydrophobicContact CB-CD1 4.2Å; E79-I252 HydrophobicContact CB-CG1 3.71Å; E79-I252 HydrophobicContact CG-CG1 4.33Å; M80-I252 HydrophobicContact CE-CD1 4.46Å; C248-I252 VanDerWaalsContact O-CG1 3.31Å; C248-I252 WeakPolarHBondContact O-CG1 3.06Å; C248-I252 PolarHBondContact O-N 2.86Å; I252-G256 PolarHBondContact O-N 3.43Å; I252-G256 VanDerWaalsContact O-N 3.15Å
253T98.4Very high97.2Very high95 Ų9573.9 Ų73.958%0.58340%0.401SS*.Hα-helixtrans-63.4-44.8177.5-56.50000111.1L249 E250 G251 G256 T257L249-T253 WeakPolarHBondContact O-CB 3.07Å; L249-T253 PolarHBondContact O-N 3.49Å; L249-T253 PolarHBondContact O-OG1 2.64Å; E250-T253 WeakPolarHBondContact O-CB 3.44Å; E250-T253 PolarHBondContact O-N 2.91Å; G251-T253 VanDerWaalsContact C-N 3.3Å; G251-T253 PolarHBondContact O-N 3.23Å; T253-G256 PolarHBondContact O-N 3.41Å; T253-T257 PolarHBondContact O-N 2.93Å; T253-T257 VanDerWaalsContact O-N 3.13Å
254K98.2Very high96.9Very high135 Ų13570.7 Ų70.759%0.58738%0.379SS*.Hα-helixtrans-64.3-43.2179.3-176.1-174.8176.7-169.60112.1E250 G251 G256 T257 N258E250-K254 VanDerWaalsContact O-CB 3.29Å; E250-K254 WeakPolarHBondContact O-CB 3.2Å; E250-K254 PolarHBondContact O-N 3.45Å; G251-K254 PolarHBondContact O-N 2.87Å; K254-G256 VanDerWaalsContact C-N 3.31Å; K254-G256 PolarHBondContact O-N 2.86Å; K254-T257 WeakPolarHBondContact CA-OG1 3.39Å; K254-T257 CarbonylContact O-C 3.32Å; K254-T257 WeakPolarHBondContact O-CA 3.39Å; K254-T257 PolarHBondContact O-N 3.42Å; K254-T257 PolarHBondContact O-OG1 2.98Å; K254-N258 PolarHBondContact O-N 3.26Å; K254-N258 PolarHBondContact O-ND2 2.9Å; K254-N258 PolarHBondContact O-OD1 3.2Å
255A96.9Very high96.7Very high2 Ų271.1 Ų71.12%0.01739%0.388CS..Hα-helixtrans-56.3-46.9173.300000110.7S72 D75 I76 G251 T257 N258S72-A255 VanDerWaalsContact CB-O 3.32Å; S72-A255 WeakPolarHBondContact CB-O 3.42Å; S72-A255 PolarHBondContact OG-O 2.8Å; S72-A255 VanDerWaalsContact OG-O 3.08Å; D75-A255 HydrophobicContact CB-CB 3.9Å; I76-A255 HydrophobicContact CD1-CB 4.33Å; I76-A255 HydrophobicContact CG1-CB 3.84Å; G251-A255 WeakPolarHBondContact O-CB 3.45Å; G251-A255 PolarHBondContact O-N 2.88Å; A255-T257 VanDerWaalsContact C-N 3.25Å; A255-T257 PolarHBondContact O-N 2.96Å; A255-N258 WeakPolarHBondContact O-CB 3.24Å; A255-N258 PolarHBondContact O-N 3.15Å
256G95.9Very high96.5Very high47 Ų4774.5 Ų74.549%0.48540%0.404SS..Hα-helixtrans-55-36.7172.400000114.1I252 T253 K254I252-G256 PolarHBondContact O-N 3.43Å; I252-G256 VanDerWaalsContact O-N 3.15Å; T253-G256 PolarHBondContact O-N 3.41Å; K254-G256 VanDerWaalsContact C-N 3.31Å; K254-G256 PolarHBondContact O-N 2.86Å
257T97Very high96.1Very high108 Ų10874.5 Ų74.566%0.66340%0.399SS*.Hα-helixtrans-80.7-12176.2600000115.3T253 K254 A255T253-T257 PolarHBondContact O-N 2.93Å; T253-T257 VanDerWaalsContact O-N 3.13Å; K254-T257 WeakPolarHBondContact CA-OG1 3.39Å; K254-T257 CarbonylContact O-C 3.32Å; K254-T257 WeakPolarHBondContact O-CA 3.39Å; K254-T257 PolarHBondContact O-N 3.42Å; K254-T257 PolarHBondContact O-OG1 2.98Å; A255-T257 VanDerWaalsContact C-N 3.25Å; A255-T257 PolarHBondContact O-N 2.96Å
258N94.5Very high95.8Very high80 Ų8071.6 Ų71.643%0.42839%0.389SS..Hα-helixtrans-82.9-14.5178.6-67.8-22.7000113K254 A255 N260K254-N258 PolarHBondContact O-N 3.26Å; K254-N258 PolarHBondContact O-ND2 2.9Å; K254-N258 PolarHBondContact O-OD1 3.2Å; A255-N258 WeakPolarHBondContact O-CB 3.24Å; A255-N258 PolarHBondContact O-N 3.15Å; N258-N260 PolarHBondContact O-N 3.46Å
259V95.8Very high95.4Very high67 Ų6775.9 Ų75.941%0.40641%0.411SS..  trans-64.5127.4178.3-176.50000110.2S72S72-V259 WeakPolarHBondContact OG-CG2 3.47Å
260N95.4Very high95Very high69 Ų6978.2 Ų78.237%0.36942%0.419SS..  trans-133.4102.3-174.9-177.6-27.1000110.6S68 N258 K262 N263 D264S68-N260 PolarHBondContact OG-N 2.88Å; N258-N260 PolarHBondContact O-N 3.46Å; N260-K262 VanDerWaalsContact C-N 3.25Å; N260-K262 PolarHBondContact O-N 3.37Å; N260-K262 PolarHBondContact OD1-N 3.36Å; N260-N263 HydrophobicContact CB-CB 3.91Å; N260-N263 VanDerWaalsContact CG-CB 3.49Å; N260-N263 PolarHBondContact O-N 2.81Å; N260-N263 PolarHBondContact OD1-N 3.04Å; N260-D264 PolarHBondContact O-N 3.08Å
261E95.4Very high94.5Very high111 Ų11174.7 Ų74.752%0.51940%0.403SS..Hα-helixtrans-63.5-30.1-173.678.2-66.4166.200113.2S265E261-S265 WeakPolarHBondContact O-CB 3.3Å; E261-S265 PolarHBondContact O-N 3.07Å; E261-S265 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-OG 3.46Å
262K95.8Very high94.1Very high144 Ų14479.3 Ų79.363%0.62642%0.424SS*.Hα-helixtrans-78.8-40.9178.9-71.1164.7-172.5115.20111.4N260 S265 M266N260-K262 VanDerWaalsContact C-N 3.25Å; N260-K262 PolarHBondContact O-N 3.37Å; N260-K262 PolarHBondContact OD1-N 3.36Å; K262-S265 PolarHBondContact O-N 2.97Å; K262-M266 WeakPolarHBondContact O-CG 3.41Å; K262-M266 PolarHBondContact O-N 3.48Å
263N93.5Very high93.7Very high80 Ų8085.1 Ų85.143%0.42845%0.448SS..Hα-helixtrans-65-46175-17384.1000110.8N260 S265 M266 V267N260-N263 HydrophobicContact CB-CB 3.91Å; N260-N263 VanDerWaalsContact CG-CB 3.49Å; N260-N263 PolarHBondContact O-N 2.81Å; N260-N263 PolarHBondContact OD1-N 3.04Å; N263-S265 VanDerWaalsContact C-N 3.3Å; N263-S265 PolarHBondContact O-N 2.63Å; N263-M266 PolarHBondContact O-N 2.7Å; N263-M266 VanDerWaalsContact O-N 3.1Å; N263-V267 WeakPolarHBondContact O-CG2 3.5Å; N263-V267 PolarHBondContact O-N 2.9Å
264D93.7Very high93.4Very high16 Ų1684.8 Ų84.89%0.08645%0.45CS..Hα-helixtrans-59.7-41.9176.6-74.713.9000111.1L67 S68 S69 N260 M266 V267 I268L67-D264 HydrophobicContact CD2-CB 4.02Å; S68-D264 VanDerWaalsContact CB-OD1 3.27Å; S68-D264 WeakPolarHBondContact CB-OD1 3.31Å; S68-D264 PolarHBondContact N-OD1 2.88Å; S68-D264 PolarHBondContact N-OD2 3.45Å; S68-D264 PolarHBondContact OG-OD1 3.02Å; S68-D264 PolarHBondContact OG-OD2 3.07Å; S69-D264 WeakPolarHBondContact CB-OD2 3.49Å; S69-D264 PolarHBondContact N-OD2 3.33Å; S69-D264 VanDerWaalsContact N-OD2 3.08Å; S69-D264 PolarHBondContact OG-OD2 3.27Å; N260-D264 PolarHBondContact O-N 3.08Å; D264-M266 PolarHBondContact O-N 3.29Å; D264-V267 PolarHBondContact O-N 2.66Å; D264-I268 WeakPolarHBondContact O-CG1 3.16Å; D264-I268 PolarHBondContact O-N 3.3Å
265S93.6Very high93.1Very high71 Ų7181.1 Ų81.150%0.49745%0.45SS..Hα-helixtrans-61.1-42.1173.3-610000113E261 K262 N263 I268 I269E261-S265 WeakPolarHBondContact O-CB 3.3Å; E261-S265 PolarHBondContact O-N 3.07Å; E261-S265 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-OG 3.46Å; K262-S265 PolarHBondContact O-N 2.97Å; N263-S265 VanDerWaalsContact C-N 3.3Å; N263-S265 PolarHBondContact O-N 2.63Å; S265-I268 PolarHBondContact O-N 2.81Å; S265-I269 WeakPolarHBondContact O-CG1 3.19Å; S265-I269 PolarHBondContact O-N 3.27Å; S265-I269 VanDerWaalsContact O-N 3.12Å
266M93.1Very high92.8Very high95 Ų9589.6 Ų89.647%0.46849%0.487SS..Hα-helixtrans-66.8-42.3176.9-76.1-61-56.700112.2K262 N263 D264 I268 I269 E270K262-M266 WeakPolarHBondContact O-CG 3.41Å; K262-M266 PolarHBondContact O-N 3.48Å; N263-M266 PolarHBondContact O-N 2.7Å; N263-M266 VanDerWaalsContact O-N 3.1Å; D264-M266 PolarHBondContact O-N 3.29Å; M266-I268 VanDerWaalsContact C-N 3.32Å; M266-I268 PolarHBondContact O-N 2.68Å; M266-I269 WeakPolarHBondContact O-CB 3.31Å; M266-I269 PolarHBondContact O-N 3.26Å; M266-I269 VanDerWaalsContact O-N 3.1Å; M266-I269 HydrophobicContact SD-CD1 4.33Å; M266-E270 WeakPolarHBondContact O-CG 3.4Å; M266-E270 PolarHBondContact O-N 3.15Å
267V91Very high92.5Very high25 Ų2596.1 Ų96.115%0.15250%0.504CS..Hα-helixtrans-59.4-42.5176.1168.60000110.9R66 L67 N263 D264 E270 Q271R66-V267 HydrophobicContact CB-CG1 4.27Å; L67-V267 HydrophobicContact CD2-CB 4.4Å; L67-V267 HydrophobicContact CD2-CG1 4.1Å; N263-V267 WeakPolarHBondContact O-CG2 3.5Å; N263-V267 PolarHBondContact O-N 2.9Å; D264-V267 PolarHBondContact O-N 2.66Å; V267-E270 PolarHBondContact O-N 3.5Å; V267-Q271 HydrophobicContact CG1-CG 4.45Å; V267-Q271 VanDerWaalsContact CG1-NE2 3.26Å; V267-Q271 WeakPolarHBondContact O-CB 3.25Å; V267-Q271 WeakPolarHBondContact O-CG 3.43Å; V267-Q271 PolarHBondContact O-N 2.87Å
268I90.9Very high92.1Very high66 Ų66101.9 Ų101.934%0.33851%0.514SS..Hα-helixtrans-62.9-41.8174.1-68.4-63.7000111.7L67 D264 S265 M266 N272L67-I268 HydrophobicContact CD1-CD1 4.47Å; L67-I268 HydrophobicContact CD2-CD1 4.06Å; L67-I268 HydrophobicContact CD2-CG1 4.03Å; D264-I268 WeakPolarHBondContact O-CG1 3.16Å; D264-I268 PolarHBondContact O-N 3.3Å; S265-I268 PolarHBondContact O-N 2.81Å; M266-I268 VanDerWaalsContact C-N 3.32Å; M266-I268 PolarHBondContact O-N 2.68Å; I268-N272 WeakPolarHBondContact O-CB 3.37Å; I268-N272 PolarHBondContact O-N 3.05Å; I268-N272 PolarHBondContact O-ND2 2.95Å
269I91Very high92Very high94 Ų94103.8 Ų103.848%0.48253%0.531SS..Hα-helixtrans-62.5-47.4176-68.8164.5000110.8S265 M266 Q271 N272 K273S265-I269 WeakPolarHBondContact O-CG1 3.19Å; S265-I269 PolarHBondContact O-N 3.27Å; S265-I269 VanDerWaalsContact O-N 3.12Å; M266-I269 WeakPolarHBondContact O-CB 3.31Å; M266-I269 PolarHBondContact O-N 3.26Å; M266-I269 VanDerWaalsContact O-N 3.1Å; M266-I269 HydrophobicContact SD-CD1 4.33Å; I269-Q271 VanDerWaalsContact C-N 3.34Å; I269-Q271 PolarHBondContact O-N 2.86Å; I269-N272 PolarHBondContact O-N 3.27Å; I269-K273 WeakPolarHBondContact O-CB 3.48Å; I269-K273 PolarHBondContact O-N 3.28Å
270E90.4Very high91.8Very high145 Ų145103.7 Ų103.768%0.67854%0.544SS*.Hα-helixtrans-63.8-37.2-179.2-72.6177.6-17800112.8M266 V267M266-E270 WeakPolarHBondContact O-CG 3.4Å; M266-E270 PolarHBondContact O-N 3.15Å; V267-E270 PolarHBondContact O-N 3.5Å
271Q88Confident91.6Very high62 Ų62108.4 Ų108.429%0.2957%0.569SS.*Hα-helixtrans-71.5-36.1176.2-71.31736.200113.6V267 I269V267-Q271 HydrophobicContact CG1-CG 4.45Å; V267-Q271 VanDerWaalsContact CG1-NE2 3.26Å; V267-Q271 WeakPolarHBondContact O-CB 3.25Å; V267-Q271 WeakPolarHBondContact O-CG 3.43Å; V267-Q271 PolarHBondContact O-N 2.87Å; I269-Q271 VanDerWaalsContact C-N 3.34Å; I269-Q271 PolarHBondContact O-N 2.86Å
272N89.1Confident91.3Very high110 Ų110111.4 Ų111.459%0.58859%0.588SS**Hα-helixtrans-109.8-4.1-167.6-65.2-87.7000114.3I268 I269 S274I268-N272 WeakPolarHBondContact O-CB 3.37Å; I268-N272 PolarHBondContact O-N 3.05Å; I268-N272 PolarHBondContact O-ND2 2.95Å; I269-N272 PolarHBondContact O-N 3.27Å; N272-S274 PolarHBondContact O-N 2.76Å
273K91.3Very high91Very high165 Ų165113.2 Ų113.272%0.71760%0.598SS**  trans-67.696.2175.6-177.7-178.1178-1750110.3I269 G275I269-K273 WeakPolarHBondContact O-CB 3.48Å; I269-K273 PolarHBondContact O-N 3.28Å; K273-G275 PolarHBondContact O-N 3.27Å
274S91.9Very high90.7Very high89 Ų89117.8 Ų117.862%0.62261%0.614SS**  trans-59.7-6.1-179.956.90000116.5N272 F276N272-S274 PolarHBondContact O-N 2.76Å; S274-F276 PolarHBondContact O-N 2.64Å; S274-F276 WeakPolarHBondContact OG-CD2 3.32Å
275G90.3Very high90.2Very high57 Ų57123.3 Ų123.359%0.58864%0.64SS**  trans76-10-176.600000114.9K273 E277K273-G275 PolarHBondContact O-N 3.27Å; G275-E277 PolarHBondContact O-N 3.05Å
276F91.9Very high89.6Confident180 Ų180123 Ų12379%0.78963%0.633SS**PPolyproline II helixtrans-63.5130.8173.4-69.5-62.7000111.1S274S274-F276 PolarHBondContact O-N 2.64Å; S274-F276 WeakPolarHBondContact OG-CD2 3.32Å
277E88.4Confident88.7Confident184 Ų184126.3 Ų126.386%0.8664%0.641SS**PPolyproline II helixtrans-71.3152.8166.4-60.1-162152.400110.2G275G275-E277 PolarHBondContact O-N 3.05Å
278R90Very high88.1Confident229 Ų229130 Ų13086%0.86467%0.668SS**PPolyproline II helixtrans-64.6131.6174.4169.317253.7-154.8-8.1108.4G280R278-G280 PolarHBondContact O-N 2.95Å
279P92.3Very high86.5Confident121 Ų121133.5 Ų133.579%0.78668%0.683SS**PPolyproline II helixtrans-50.4131.5175.4-28.335.3000111.8
280G89.9Confident85Confident65 Ų65132.1 Ų132.167%0.6769%0.692SS**  trans-74.7179.9171.900000112.2R278R278-G280 PolarHBondContact O-N 2.95Å
281D92.3Very high83.3Confident168 Ų168132 Ų13290%0.89869%0.694SS**PPolyproline II helixtrans-63.8144.3172.9-63-43.1000110.6
282L88.6Confident81.8Confident174 Ų174136.1 Ų136.191%0.91172%0.718SS**PPolyproline II helixtrans-75.4128.1177.6-64.9174.9000110
283E90.3Very high79.9Confident182 Ų182142.1 Ų142.185%0.8573%0.733SS**PPolyproline II helixtrans-65.2148.5174.5-62-168.9157.200111.6E285E283-E285 PolarHBondContact O-N 2.76Å
284F86.3Confident77.8Confident175 Ų175138.5 Ų138.577%0.76873%0.734SS**  trans-81.5110179.1174.5-108.3000110.9D286F284-D286 HydrophobicContact CD1-CB 4.07Å; F284-D286 HydrophobicContact CE1-CB 3.71Å; F284-D286 PolarHBondContact O-N 3.29Å
285E82.8Confident75.5Confident132 Ų132139.8 Ų139.862%0.61774%0.742SS**  trans-72.292.1174-63.8-175.5152.400111.2E283 Y287E283-E285 PolarHBondContact O-N 2.76Å; E285-Y287 HydrophobicContact CB-CD2 4.13Å; E285-Y287 HydrophobicContact CB-CE2 3.51Å; E285-Y287 WeakPolarHBondContact O-CD2 3.42Å; E285-Y287 PolarHBondContact O-N 2.62Å; E285-Y287 VanDerWaalsContact O-N 3.1Å; E285-Y287 WeakPolarHBondContact OE2-CE2 3.44Å; E285-Y287 PolarHBondContact OE2-OH 3.39Å
286D81.8Confident73.3Confident66 Ų66142.2 Ų142.235%0.35375%0.751SS.*  trans-77.490.3174.2-176.89.1000112F284 S288 Q289F284-D286 HydrophobicContact CD1-CB 4.07Å; F284-D286 HydrophobicContact CE1-CB 3.71Å; F284-D286 PolarHBondContact O-N 3.29Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.58Å; D286-S288 VanDerWaalsContact O-N 3.16Å; D286-S288 WeakPolarHBondContact OD1-CB 3.44Å; D286-S288 PolarHBondContact OD1-N 2.77Å; D286-S288 PolarHBondContact OD1-OG 3.22Å; D286-S288 PolarHBondContact OD2-OG 2.98Å; D286-Q289 PolarHBondContact O-N 3.14Å; D286-Q289 PolarHBondContact OD2-NE2 2.77Å
287Y75Confident71Confident164 Ų164140.3 Ų140.364%0.64375%0.749SS**THydrogen-bonded Turntrans-67-5.1175.3-69.2-88.1000114.9E285 Q289E285-Y287 HydrophobicContact CB-CD2 4.13Å; E285-Y287 HydrophobicContact CB-CE2 3.51Å; E285-Y287 WeakPolarHBondContact O-CD2 3.42Å; E285-Y287 PolarHBondContact O-N 2.62Å; E285-Y287 VanDerWaalsContact O-N 3.1Å; E285-Y287 WeakPolarHBondContact OE2-CE2 3.44Å; E285-Y287 PolarHBondContact OE2-OH 3.39Å; Y287-Q289 VanDerWaalsContact C-N 3.3Å
288S77.3Confident69Low101 Ų101136 Ų13671%0.70674%0.739SS**THydrogen-bonded Turntrans-75.5-20.6177.877.30000113.1D286D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.58Å; D286-S288 VanDerWaalsContact O-N 3.16Å; D286-S288 WeakPolarHBondContact OD1-CB 3.44Å; D286-S288 PolarHBondContact OD1-N 2.77Å; D286-S288 PolarHBondContact OD1-OG 3.22Å; D286-S288 PolarHBondContact OD2-OG 2.98Å
289Q58.8Low66.7Low141 Ų141129.5 Ų129.566%0.65973%0.728SS**SBendtrans-100.3124.2171.2-62.3-176.96400108.8D286 Y287 I291D286-Q289 PolarHBondContact O-N 3.14Å; D286-Q289 PolarHBondContact OD2-NE2 2.77Å; Y287-Q289 VanDerWaalsContact C-N 3.3Å; Q289-I291 PolarHBondContact O-N 2.84Å
290G57.8Low64.3Low65 Ų65130.8 Ų130.867%0.6773%0.728SS**  trans-53.6134.8-165.800000114N292G290-N292 PolarHBondContact O-N 3.1Å
291I56.3Low61.9Low141 Ų141131.1 Ų131.172%0.72373%0.731SS**  trans-46.193.8-165.3-51.2172000113.2Q289Q289-I291 PolarHBondContact O-N 2.84Å
292N54.7Low59.2Low150 Ų150128.8 Ų128.880%0.80272%0.724SS**PPolyproline II helixtrans-76.6121.3156.9-76.5-60.9000107.3G290 A294G290-N292 PolarHBondContact O-N 3.1Å; N292-A294 PolarHBondContact O-N 3.4Å; N292-A294 VanDerWaalsContact O-N 3.11Å
293R50.7Low56.9Low235 Ų235126.4 Ų126.489%0.88772%0.718SS**PPolyproline II helixtrans-62.1116.7175.1-72.8179.9173.3178.8-2.7108.6S295R293-S295 PolarHBondContact O-N 3.44Å
294A45.4Very low54.4Low90 Ų90127.8 Ų127.874%0.74472%0.722SS**PPolyproline II helixtrans-53.1132.3171.100000109.8N292 S296N292-A294 PolarHBondContact O-N 3.4Å; N292-A294 VanDerWaalsContact O-N 3.11Å; A294-S296 PolarHBondContact O-N 2.93Å
295S45.2Very low52.2Low115 Ų115122 Ų12280%0.80471%0.712SS**  trans-60.7109.5170.6-64.40000107.9R293 D297R293-S295 PolarHBondContact O-N 3.44Å; S295-D297 PolarHBondContact O-N 2.74Å
296S44Very low50Low109 Ų109122.4 Ų122.476%0.76273%0.726SS**  trans-72.380.6178.359.70000109.4A294 S298A294-S296 PolarHBondContact O-N 2.93Å; S296-S298 PolarHBondContact O-N 2.77Å
297D43.8Very low47.7Very low139 Ų139126.7 Ų126.774%0.74375%0.745SS**  trans-75.465.1176.6-147.9-21.2000109.7S295 S299S295-D297 PolarHBondContact O-N 2.74Å; D297-S299 PolarHBondContact O-N 2.75Å; D297-S299 PolarHBondContact O-OG 3.44Å
298S45.5Very low45.7Very low94 Ų94126.5 Ų126.566%0.65776%0.755SS**  trans-70.559.5172.1174.60000109.2S296 L300S296-S298 PolarHBondContact O-N 2.77Å; S298-L300 PolarHBondContact O-N 3.01Å
299S42.6Very low43.7Very low92 Ų92128.2 Ų128.264%0.64376%0.756SS**  trans-68.376.9173.348.10000109.4D297 G301D297-S299 PolarHBondContact O-N 2.75Å; D297-S299 PolarHBondContact O-OG 3.44Å; S299-G301 VanDerWaalsContact C-N 3.31Å; S299-G301 PolarHBondContact O-N 3.45Å
300L41.9Very low42.4Very low148 Ų148130.1 Ų130.178%0.77577%0.77SS**  trans-53.8101158.3-75.1168.6000107S298 T302S298-L300 PolarHBondContact O-N 3.01Å; L300-T302 PolarHBondContact O-N 3.4Å
301G38Very low41.1Very low72 Ų72130.1 Ų130.174%0.74277%0.769SS**  trans-54.7106.7-175.100000110.4S299 P303S299-G301 VanDerWaalsContact C-N 3.31Å; S299-G301 PolarHBondContact O-N 3.45Å; G301-P303 WeakPolarHBondContact O-CD 3.13Å
302T36.9Very low40Very low120 Ų120133.2 Ų133.274%0.73678%0.778SS**  trans-77.1119.8-177.335.30000109.4L300 K304L300-T302 PolarHBondContact O-N 3.4Å; T302-K304 PolarHBondContact O-N 2.99Å; T302-K304 VanDerWaalsContact O-N 3.09Å
303P39.1Very low38.8Very low123 Ų123133.9 Ų133.980%0.79978%0.781SS**  trans-68.4112.1175.427.5-32.6000109G301 G305G301-P303 WeakPolarHBondContact O-CD 3.13Å; P303-G305 PolarHBondContact O-N 2.87Å
304K38Very low38.1Very low212 Ų212132.8 Ų132.892%0.92278%0.783SS**  trans-74.689172.8-76-175177.2176.90110.1T302T302-K304 PolarHBondContact O-N 2.99Å; T302-K304 VanDerWaalsContact O-N 3.09Å
305G40.5Very low37.5Very low54 Ų54133.7 Ų133.756%0.55778%0.784SS**  trans-145.6148.4168.500000110.4P303P303-G305 PolarHBondContact O-N 2.87Å
306P36.9Very low37.1Very low140 Ų140138 Ų13891%0.90979%0.788SS**  trans-64.1138178.6-20.833.6000112.1
307M33.5Very low36.5Very low155 Ų155140.2 Ų140.276%0.76479%0.791SS**  trans-97114171.5-115.7-80.3-73.200108.7L309M307-L309 HydrophobicContact CE-CD2 3.7Å; M307-L309 HydrophobicContact CE-CG 4.43Å
308D31.9Very low35.7Very low160 Ų160142 Ų14286%0.85679%0.793SS**  trans-101.4141.4161-107.5-44.2000109.7
309L35.3Very low35Very low138 Ų138149.6 Ų149.672%0.72381%0.807SS**  trans-98.4124.1-159.2-74.9157.4000113.6M307M307-L309 HydrophobicContact CE-CD2 3.7Å; M307-L309 HydrophobicContact CE-CG 4.43Å
310L32.7Very low34.4Very low181 Ų181152.2 Ų152.295%0.94881%0.813SS**  trans-165.9151.8133.3-137.363.4000113.7
311G30.3Very low33.9Very low64 Ų64154.9 Ų154.966%0.6682%0.819SS**  trans126.739.7139.900000122.9
312K33.2Very low33.4Very low207 Ų207161.1 Ų161.190%0.983%0.825SS**  trans62.2114.8148.2-62173.2179.1172.30120.5
313N30.1Very low33Very low164 Ų164166.5 Ų166.588%0.87783%0.832SS**  trans-1.5131.2142.4-80.1-13000119.6
314K35.1Very low32.4Very low212 Ų212165.8 Ų165.892%0.92283%0.83SS**  -147.3145124.6-113.1171.8-175.2177.50110.6
315S34.1Very low31.9Very low109 Ų109165.7 Ų165.776%0.76283%0.83SS**  trans-80151.2-170.848.10000113.6
316K35.1Very low31.3Very low206 Ų206171.7 Ų171.790%0.89685%0.848SS**  trans-136.2122.4157.8-71.4-173.1178.81780108.6
317N31.6Very low30.9Very low155 Ų155170.2 Ų170.283%0.82984%0.841SS**  trans-80.5155.3171.7-73.4-6.3000110.3
318F28.5Very low30.6Very low177 Ų177168.2 Ų168.278%0.77684%0.843SS**  trans-58.1149.6176.9-88.9-112.5000113.3L320F318-L320 HydrophobicContact CD1-CG 4.39Å
319W29.8Very low30.4Very low252 Ų252165.8 Ų165.896%0.95584%0.838SS**  trans-131.3140.6140.8-92.187.7000109.3
320L29.1Very low30Very low147 Ų147165.9 Ų165.977%0.7784%0.844SS**  trans-101.5146.6-173.3-83.2160.9000112.1F318F318-L320 HydrophobicContact CD1-CG 4.39Å
321F32.7Very low29.8Very low204 Ų204164 Ų16490%0.89584%0.835SS**  trans-72.6143.5176-78.7-92.8000113.5
322K27.6Very low29.9Very low203 Ų203167.1 Ų167.188%0.88384%0.841SS**  trans-159152.6139.7-100.8-179.9-171.9176.10110.1
323R28.8Very low30.6Very low234 Ų234162.3 Ų162.388%0.88383%0.831SS**  cis-176.7119.3-40.5175.2-177.3-171.9-1316.5108.8
324S25.7Very low30.7Very low107 Ų107163.8 Ų163.875%0.74883%0.83SS**  trans-163.2109.5158.146.50000111.4
325K27.2Very low30.4Very low210 Ų210159.4 Ų159.491%0.91383%0.826SS**  69.3103.3110.1-76.6-168.9172.6-1740115.4
326L27.7Very low30.1Very low181 Ų181160.6 Ų160.695%0.94883%0.828SS**  trans-122151.3152.6-159.677.2000107.5
327S28.7Very low30.9Very low108 Ų108156.3 Ų156.376%0.75582%0.822SS**  trans-152.6116.6178.1570000113.6
328S27.2Very low31.6Very low114 Ų114155 Ų15580%0.79782%0.822SS**  trans67.7151.5145-132.90000118.1
329S27.5Very low31.8Very low109 Ų109150.7 Ų150.776%0.76282%0.819SS**  cis-144.2176.516.2-64.70000113.6
330T27.2Very low32.3Very low139 Ų139144.8 Ų144.885%0.85381%0.813SS**  trans-104.9-158.7-169.2-290000114
331L27.9Very low32.4Very low143 Ų143143.1 Ų143.175%0.74981%0.813SS**  trans-108.5147-151-71.8161.2000117
332T33.5Very low32.8Very low129 Ų129139 Ų13979%0.79181%0.807SS**  trans64.7176.6145.162.70000119.1
333P48.3Very low33.5Very low105 Ų105134 Ų13468%0.68280%0.796SS**  cis-138.7-178.6-3.644.3-26.6000118.5
334F30.5Very low33.7Very low196 Ų196130.8 Ų130.886%0.8680%0.796SS**  trans54.4126.2149.8-81.1-64.3000125.9
335S28.8Very low33.9Very low119 Ų119129.3 Ų129.383%0.83280%0.798SS**  169.5168.7123-75.50000114.5
336T29.8Very low34Very low134 Ų134124.3 Ų124.382%0.82280%0.795SS**  trans-138.3-179.8-176.458.60000111.2
337P50.7Low34.3Very low117 Ų117121.6 Ų121.676%0.7679%0.789SS**  cis-117-138.6-18.840.5-21.7000109.4
338P46.9Very low34.5Very low127 Ų127122 Ų12283%0.82579%0.792SS**  cis-127.8-114.8-19.137.9-15.2000114.5
339A32.4Very low35.4Very low87 Ų87121.6 Ų121.672%0.71979%0.786SS**  trans-154.1171.5-171.100000112.8
340P40.6Very low35.6Very low128 Ų128125.4 Ų125.483%0.83179%0.789SS**  -143.6175.881.540.2-23.4000117.3
341S31.2Very low36.1Very low111 Ų111128.8 Ų128.878%0.77679%0.792SS**  trans-72.8-171.7179.7-27.90000114
342P40.1Very low36.1Very low117 Ų117125.8 Ų125.876%0.7680%0.796SS**  cis-142.9-151.91345.6-24.2000114
343P42.8Very low36.1Very low99 Ų99130.5 Ų130.564%0.64380%0.799SS**  cis-124.4174.4-3723.8-2.5000114.4
344N33.3Very low35.5Very low166 Ų166131 Ų13189%0.88880%0.796SS**  trans62.9130.3158.6-59.2-14000119
345G29.1Very low35.7Very low76 Ų76127.7 Ų127.778%0.78479%0.794SS**  cis13399.4-4.400000112.7
346A29.2Very low36.1Very low105 Ų105129 Ų12987%0.86879%0.791SS**  trans-125.2111.5177.700000111
347P33.9Very low36.6Very low125 Ų125127.9 Ų127.981%0.81279%0.788SS**  trans-103.4131.9176.935.3-28.9000113.1
348S34Very low36Very low116 Ų116132.5 Ų132.581%0.81179%0.792SS**  trans-97.9168.1147-70.40000108.1
349P46.7Very low35.5Very low106 Ų106131.3 Ų131.369%0.68879%0.786SS**  cis-133.3172.7133.9-14.3000115
350K30.8Very low35.8Very low188 Ų188133.9 Ų133.982%0.81779%0.787SS**  166.2142.6119.8-88.9164.3-175.4179.10114.6
351F37.3Very low35.7Very low211 Ų211136.8 Ų136.893%0.92579%0.786SS**  trans-7.8131169.3-61.8-87.4000121.8
352G28.6Very low36Very low79 Ų79139.7 Ų139.781%0.81479%0.788SS**  trans-145.1163.8156.900000109.3
353R34.1Very low35.9Very low229 Ų229140.9 Ų140.986%0.86479%0.786SS**  trans-105.3160.7-163.1-91.9-162.4-175.4-151.84.6116.7
354D34.6Very low35.5Very low115 Ų115143.3 Ų143.362%0.61579%0.794SS**  trans64.998.7150.8-54.4-22.3000120.6L356D354-L356 PolarHBondContact O-N 3.2Å
355P35.3Very low35.6Very low127 Ų127144.5 Ų144.583%0.82579%0.791SS**  trans-91.375.4175.537-34.2000113.2
356L36.8Very low36Very low147 Ų147146.8 Ų146.877%0.7779%0.79SS**  trans-123.8-1.9174.3-78.8176000115.5D354D354-L356 PolarHBondContact O-N 3.2Å
357S40.9Very low36.1Very low109 Ų109148.4 Ų148.476%0.76279%0.789SS**SBendtrans-84.5-11.3-176.157.50000115.3
358Y37.3Very low35.9Very low214 Ų214151.9 Ų151.984%0.83979%0.791SS**SBendtrans-84.9-41.5-173-161.5-101.9000113.7L360Y358-L360 VanDerWaalsContact C-N 3.26Å; Y358-L360 PolarHBondContact O-N 2.95Å
359C37.3Very low35.9Very low102 Ų102152 Ų15269%0.68979%0.789SS**G310 helixtrans-69.9-15.9-173.9-60.40000114.7K361C359-K361 VanDerWaalsContact C-N 3.29Å; C359-K361 PolarHBondContact O-N 3.06Å
360L37.5Very low35Very low142 Ų142158.9 Ų158.974%0.74380%0.801SS**G310 helixtrans-823.4-171-134.579.9000115.1Y358Y358-L360 VanDerWaalsContact C-N 3.26Å; Y358-L360 PolarHBondContact O-N 2.95Å
361K38.5Very low35.2Very low188 Ų188157.3 Ų157.382%0.81780%0.8SS**G310 helixtrans-109.8-10.6-170.3-111.9177.6-179.1175.20117.2C359C359-K361 VanDerWaalsContact C-N 3.29Å; C359-K361 PolarHBondContact O-N 3.06Å
362E37.5Very low34.6Very low172 Ų172153 Ų15380%0.80480%0.797SS**THydrogen-bonded Turntrans-98.2-30.1179.4-64.5-148.1116.800114.5N364E362-N364 PolarHBondContact O-N 3.41Å; E362-N364 VanDerWaalsContact O-N 3.14Å
363I37.4Very low34.7Very low142 Ų142154.6 Ų154.673%0.72880%0.795SS**G310 helixtrans-65.5-21.9-173.6-61.6173.8000112.8K365I363-K365 VanDerWaalsContact C-N 3.35Å; I363-K365 PolarHBondContact O-N 3.15Å
364N34.4Very low34.5Very low151 Ų151153.3 Ų153.381%0.80780%0.796SS**G310 helixtrans-87.628.3-173.4-94.8-50.2000115.5E362E362-N364 PolarHBondContact O-N 3.41Å; E362-N364 VanDerWaalsContact O-N 3.14Å
365K37.3Very low34.3Very low191 Ų191159 Ų15983%0.8381%0.809SS**G310 helixtrans-129.2-1.3-174.2-104.5-175.8178.6-179.50118.5I363I363-K365 VanDerWaalsContact C-N 3.35Å; I363-K365 PolarHBondContact O-N 3.15Å
366T35.8Very low33.9Very low124 Ų124159.7 Ų159.776%0.76181%0.811SS**SBendtrans-123143174.840.70000111.9
367V31.1Very low33.8Very low139 Ų139160.7 Ų160.784%0.84282%0.816SS**  trans73.9102.7-174.1-169.90000115.8
368K30.9Very low33.3Very low198 Ų198166.9 Ų166.986%0.86182%0.823SS**  trans-90.6143.7149.9-79.4-175.1175.3-179.40108.9
369P33.6Very low32.9Very low117 Ų117167.9 Ų167.976%0.7683%0.825SS**  trans-74.3148.8-178.431.2-35.7000112
370R28.8Very low32.8Very low252 Ų252167.9 Ų167.995%0.95183%0.826SS**  trans-133.6103.3162-153.1173.1-163.1148.54.5109.7
371I34.3Very low32.3Very low154 Ų154170.9 Ų170.979%0.7983%0.833SS**  trans-74134.9-179.3-60164.4000109.3
372S24.3Very low31.9Very low122 Ų122171.4 Ų171.485%0.85384%0.836SS**  trans-131146147.574.50000108.6
373S30.5Very low31.4Very low112 Ų112169.9 Ų169.978%0.78384%0.838SS**  trans-109155.7-159.451.60000114.1
374F30.4Very low31.9Very low201 Ų201168.4 Ų168.488%0.88284%0.838SS**  trans-49.6133174.7-88-104.1000114.3
375R30.3Very low31.9Very low236 Ų236168.4 Ų168.489%0.89184%0.838SS**  trans-172.1138.2141-93.6148.4-157.1-125.65.8105.2
376T26.4Very low31.5Very low140 Ų140170.9 Ų170.986%0.85984%0.842SS**  -148.9157.951.1410000113.7
377L34.4Very low31.6Very low169 Ų169172.6 Ų172.689%0.88585%0.845SS**  trans-126.9113.8171.2-156.7172000107.8
378R30.9Very low31.6Very low238 Ų238173.4 Ų173.490%0.89884%0.841SS**  trans-162.6113.8169.6-101.3166-165-1441.8107.3
379R30.2Very low31.9Very low236 Ų236169.4 Ų169.489%0.89184%0.835SS**  81.4111.870.6-169.9178.4-169.9-178.35.9112.5
380S33.5Very low32.1Very low102 Ų102169.5 Ų169.571%0.71383%0.834SS**  trans-54.2145.7178.1172.30000115.1
381K28.2Very low32.9Very low205 Ų205163.5 Ų163.589%0.89183%0.825SS**  trans-151.9149.9150.1-102.3-169.3175.5-169.80110.4
382F29.7Very low34Very low199 Ų199159.2 Ų159.287%0.87381%0.806SS**  trans-73.8142.9177.7-87.4-128.2000113.1
383T27.3Very low36.1Very low140 Ų140159 Ų15986%0.85979%0.792SS**  -167.4155.6126.124.20000109.9
384P46.9Very low38.1Very low111 Ų111155.3 Ų155.372%0.72176%0.763SS**  trans-94.4174.1-165.237.8-37.5000116.2
385D34.2Very low40.5Very low150 Ų150147.2 Ų147.280%0.80273%0.728SS**  trans56.687.1162.1-66.8-28.7000120.3
386R29.4Very low42.5Very low244 Ų244138.1 Ų138.192%0.92171%0.707SS**  -155.7113121-117.2178.2179.3-161.7-1.6111.6M388R386-M388 PolarHBondContact O-N 3.49Å
387I38Very low44.8Very low160 Ų160136.7 Ų136.782%0.82169%0.69SS**  trans-75.4118.4174.5-59.8174.3000108.8
388M32.5Very low46.7Very low156 Ų156130.5 Ų130.577%0.76866%0.658SS**  trans-111.9132.9159.9-65.7-10767.500106.8R386 T390R386-M388 PolarHBondContact O-N 3.49Å; M388-T390 PolarHBondContact O-N 3.47Å
389P37.1Very low48.6Very low113 Ų113122.5 Ų122.573%0.73464%0.637SS**PPolyproline II helixtrans-67.8123-179.527.5-33.1000110.2V391P389-V391 PolarHBondContact O-N 2.69Å
390T37.2Very low50.6Low120 Ų120115.7 Ų115.774%0.73662%0.623SS**PPolyproline II helixtrans-63.1129.416845.20000109.5M388 T392M388-T390 PolarHBondContact O-N 3.47Å; T390-T392 PolarHBondContact O-N 3.09Å; T390-T392 VanDerWaalsContact O-N 3.14Å
391V45.2Very low52.5Low125 Ų125116.3 Ų116.376%0.75862%0.615SS**PPolyproline II helixtrans-58.8118.4170.3179.90000108P389P389-V391 PolarHBondContact O-N 2.69Å
392T56.6Low54.7Low64 Ų64112 Ų11239%0.39360%0.598SS.*PPolyproline II helixtrans-78.3128.2-17461.70000110.7T390 D394 F395T390-T392 PolarHBondContact O-N 3.09Å; T390-T392 VanDerWaalsContact O-N 3.14Å; T392-D394 WeakPolarHBondContact CB-OD1 3.21Å; T392-D394 PolarHBondContact O-N 2.77Å; T392-D394 VanDerWaalsContact O-N 3.16Å; T392-D394 PolarHBondContact OG1-OD1 3.32Å; T392-F395 PolarHBondContact O-N 3.04Å
393E69.7Low57.3Low117 Ų117104.1 Ų104.155%0.54756%0.563SS.*THydrogen-bonded Turntrans-63.5-18.3-177.3-63.7-178.3156.500113.7F395 K467 W471E393-F395 VanDerWaalsContact C-N 3.26Å; E393-F395 PolarHBondContact O-N 3.24Å; E393-K467 IonicContact OE2-NZ 3.89Å; E393-K467 PolarHBondContact OE2-NZ 3.05Å; E393-W471 HydrophobicContact CB-CH2 3.74Å; E393-W471 HydrophobicContact CB-CZ3 3.96Å; E393-W471 WeakPolarHBondContact O-CZ3 3.49Å
394D72Confident59.9Low35 Ų35102.2 Ų102.219%0.18754%0.539CS..THydrogen-bonded Turntrans-79.6-4.1179.782.7-41.7000113.6T392 G396 R403 W471T392-D394 WeakPolarHBondContact CB-OD1 3.21Å; T392-D394 PolarHBondContact O-N 2.77Å; T392-D394 VanDerWaalsContact O-N 3.16Å; T392-D394 PolarHBondContact OG1-OD1 3.32Å; D394-G396 VanDerWaalsContact CG-N 3.28Å; D394-G396 PolarHBondContact O-N 3.01Å; D394-G396 VanDerWaalsContact O-N 3.13Å; D394-G396 PolarHBondContact OD1-N 3.47Å; D394-G396 WeakPolarHBondContact OD2-CA 3.28Å; D394-G396 PolarHBondContact OD2-N 3.5Å; D394-R403 PolarHBondContact O-NE 3.25Å; D394-R403 PolarHBondContact O-NH2 2.97Å; D394-R403 IonicContact OD2-CZ 2.63Å; D394-R403 IonicContact OD2-NE 2.91Å; D394-R403 IonicContact OD2-NH2 2.7Å; D394-R403 PolarHBondContact OD2-NH2 3.24Å; D394-W471 HydrophobicContact CB-CD2 3.85Å; D394-W471 HydrophobicContact CB-CE3 4.09Å; D394-W471 HydrophobicContact CB-CG 4.34Å; D394-W471 HydrophobicContact CB-CH2 4.07Å; D394-W471 HydrophobicContact CB-CZ2 3.89Å; D394-W471 HydrophobicContact CB-CZ3 4.2Å
395F80.8Confident61.9Low32 Ų32104.3 Ų104.314%0.1454%0.537CS..  trans53.625-172.5-54.6-80.3000115T392 E393 H397 L398 R403 R406 L407 K410 Y468T392-F395 PolarHBondContact O-N 3.04Å; E393-F395 VanDerWaalsContact C-N 3.26Å; E393-F395 PolarHBondContact O-N 3.24Å; F395-H397 PolarHBondContact O-N 3.17Å; F395-L398 HydrophobicContact CB-CD1 4.08Å; F395-L398 HydrophobicContact CB-CG 4.39Å; F395-L398 HydrophobicContact CD1-CD1 4.16Å; F395-L398 HydrophobicContact CG-CD1 4.46Å; F395-L398 PolarHBondContact O-N 3.36Å; F395-R403 HydrophobicContact CB-CG 4.05Å; F395-R406 HydrophobicContact CD1-CB 4.17Å; F395-R406 HydrophobicContact CD2-CB 4.12Å; F395-R406 HydrophobicContact CE1-CB 4.28Å; F395-R406 HydrophobicContact CE2-CB 4.22Å; F395-R406 HydrophobicContact CG-CB 4.08Å; F395-R406 HydrophobicContact CZ-CB 4.3Å; F395-L407 HydrophobicContact CD2-CD2 3.78Å; F395-L407 HydrophobicContact CD2-CG 4.13Å; F395-L407 HydrophobicContact CE2-CD2 4.33Å; F395-K410 HydrophobicContact CE2-CG 4.08Å; F395-K410 HydrophobicContact CZ-CG 4.2Å; F395-Y468 HydrophobicContact CE2-CE1 4.18Å
396G73.4Confident64.3Low44 Ų44103.2 Ų103.245%0.45452%0.522SS..THydrogen-bonded Turntrans-62.5-7.4-178.700000115.6D394D394-G396 VanDerWaalsContact CG-N 3.28Å; D394-G396 PolarHBondContact O-N 3.01Å; D394-G396 VanDerWaalsContact O-N 3.13Å; D394-G396 PolarHBondContact OD1-N 3.47Å; D394-G396 WeakPolarHBondContact OD2-CA 3.28Å; D394-G396 PolarHBondContact OD2-N 3.5Å
397H73.6Confident67.1Low110 Ų11091.6 Ų91.651%0.50948%0.478SS..THydrogen-bonded Turntrans-87.5-4.817361.1-90000114F395F395-H397 PolarHBondContact O-N 3.17Å
398L74.6Confident69.6Low40 Ų4088 Ų8821%0.20946%0.458CS..SBendtrans-98.8150.2178.1-60.6-176.6000111.7F395 Q402 R403 R406F395-L398 HydrophobicContact CB-CD1 4.08Å; F395-L398 HydrophobicContact CB-CG 4.39Å; F395-L398 HydrophobicContact CD1-CD1 4.16Å; F395-L398 HydrophobicContact CG-CD1 4.46Å; F395-L398 PolarHBondContact O-N 3.36Å; L398-Q402 HydrophobicContact CB-CB 4.14Å; L398-Q402 HydrophobicContact CD1-CB 4.48Å; L398-R403 HydrophobicContact CB-CB 4.2Å; L398-R406 HydrophobicContact CD1-CB 4.36Å; L398-R406 HydrophobicContact CD1-CG 3.8Å
399P71.6Confident72.4Confident69 Ų6985 Ų8545%0.44844%0.442SS..  trans-51.6147.3168.6-25.834.1000111.6E401 Q402 R403P399-E401 VanDerWaalsContact C-N 3.26Å; P399-E401 PolarHBondContact O-N 3.06Å; P399-Q402 HydrophobicContact CB-CG 4.46Å; P399-Q402 WeakPolarHBondContact O-CA 2.96Å; P399-Q402 PolarHBondContact O-N 3.38Å; P399-R403 PolarHBondContact O-N 2.92Å
400P71.6Confident74.9Confident93 Ų9383 Ų8360%0.60442%0.422SS*.Hα-helixtrans-49.8-42.9-169.9-30.535.6000114.4R403 R404P400-R403 WeakPolarHBondContact O-CB 3.4Å; P400-R403 PolarHBondContact O-N 3.15Å; P400-R404 VanDerWaalsContact O-CB 3.28Å; P400-R404 WeakPolarHBondContact O-CB 3.32Å; P400-R404 PolarHBondContact O-N 3.08Å
401E73.1Confident77.6Confident116 Ų11678.6 Ų78.654%0.54239%0.394SS..Hα-helixtrans-71.7-33.6-179.1-161.269.9161.900113.5P399 R404 K405P399-E401 VanDerWaalsContact C-N 3.26Å; P399-E401 PolarHBondContact O-N 3.06Å; E401-R404 IonicContact OE1-CZ 3.04Å; E401-R404 IonicContact OE1-NE 2.75Å; E401-R404 IonicContact OE1-NH2 2.64Å; E401-R404 PolarHBondContact OE1-NH2 2.66Å; E401-R404 IonicContact OE2-CZ 2.8Å; E401-R404 IonicContact OE2-NE 3.2Å; E401-R404 PolarHBondContact OE2-NE 2.82Å; E401-R404 IonicContact OE2-NH2 3.17Å; E401-R404 PolarHBondContact OE2-NH2 3.16Å; E401-R404 VanDerWaalsContact OE2-NH2 3.13Å; E401-K405 WeakPolarHBondContact O-CB 3.49Å; E401-K405 PolarHBondContact O-N 3.08Å
402Q75.1Confident79.9Confident114 Ų11479.5 Ų79.553%0.53339%0.39SS..Hα-helixtrans-75-36.5173.7-63.2-175.15.900111.4L398 P399 R406L398-Q402 HydrophobicContact CB-CB 4.14Å; L398-Q402 HydrophobicContact CD1-CB 4.48Å; P399-Q402 HydrophobicContact CB-CG 4.46Å; P399-Q402 WeakPolarHBondContact O-CA 2.96Å; P399-Q402 PolarHBondContact O-N 3.38Å; Q402-R406 WeakPolarHBondContact O-CB 3.27Å; Q402-R406 WeakPolarHBondContact O-CG 3.42Å; Q402-R406 PolarHBondContact O-N 3.39Å
403R82.7Confident81.7Confident34 Ų3480.5 Ų80.513%0.12839%0.39CS..Hα-helixtrans-59.6-51.8170.5-175.1176.6-170.2-130.68.2110D394 F395 L398 P399 P400 K405 R406 L407D394-R403 PolarHBondContact O-NE 3.25Å; D394-R403 PolarHBondContact O-NH2 2.97Å; D394-R403 IonicContact OD2-CZ 2.63Å; D394-R403 IonicContact OD2-NE 2.91Å; D394-R403 IonicContact OD2-NH2 2.7Å; D394-R403 PolarHBondContact OD2-NH2 3.24Å; F395-R403 HydrophobicContact CB-CG 4.05Å; L398-R403 HydrophobicContact CB-CB 4.2Å; P399-R403 PolarHBondContact O-N 2.92Å; P400-R403 WeakPolarHBondContact O-CB 3.4Å; P400-R403 PolarHBondContact O-N 3.15Å; R403-K405 PolarHBondContact O-N 2.98Å; R403-R406 PolarHBondContact O-N 3.39Å; R403-L407 HydrophobicContact CG-CD1 3.79Å; R403-L407 HydrophobicContact CG-CG 4.42Å; R403-L407 WeakPolarHBondContact O-CB 3.32Å; R403-L407 VanDerWaalsContact O-CG 3.27Å; R403-L407 WeakPolarHBondContact O-CG 3.45Å; R403-L407 PolarHBondContact O-N 3.24Å
404R83.4Confident82.8Confident99 Ų9975.7 Ų75.737%0.37437%0.367SS..Hα-helixtrans-52.8-51.6176.1-166.9168.875.498.1-8.9111.5P400 E401 R406 L407 Q408 L472P400-R404 VanDerWaalsContact O-CB 3.28Å; P400-R404 WeakPolarHBondContact O-CB 3.32Å; P400-R404 PolarHBondContact O-N 3.08Å; E401-R404 IonicContact OE1-CZ 3.04Å; E401-R404 IonicContact OE1-NE 2.75Å; E401-R404 IonicContact OE1-NH2 2.64Å; E401-R404 PolarHBondContact OE1-NH2 2.66Å; E401-R404 IonicContact OE2-CZ 2.8Å; E401-R404 IonicContact OE2-NE 3.2Å; E401-R404 PolarHBondContact OE2-NE 2.82Å; E401-R404 IonicContact OE2-NH2 3.17Å; E401-R404 PolarHBondContact OE2-NH2 3.16Å; E401-R404 VanDerWaalsContact OE2-NH2 3.13Å; R404-R406 PolarHBondContact O-N 3.11Å; R404-L407 PolarHBondContact O-N 3.05Å; R404-Q408 WeakPolarHBondContact O-CB 3.31Å; R404-Q408 WeakPolarHBondContact O-CG 3.34Å; R404-Q408 PolarHBondContact O-N 2.72Å; R404-L472 HydrophobicContact CB-CD1 4.39Å; R404-L472 HydrophobicContact CG-CD1 3.7Å
405K87.9Confident83.9Confident156 Ų15677 Ų7768%0.67838%0.379SS*.Hα-helixtrans-63.2-37.7178.8-169.8164.7-174.6165.20113.8E401 R403 Q409E401-K405 WeakPolarHBondContact O-CB 3.49Å; E401-K405 PolarHBondContact O-N 3.08Å; R403-K405 PolarHBondContact O-N 2.98Å; K405-Q409 PolarHBondContact O-N 3.11Å
406R85.5Confident84.6Confident127 Ų12783.3 Ų83.348%0.47941%0.407SS..Hα-helixtrans-73.9-35.3176.7-71.8-62-171.584.51.4113.3F395 L398 Q402 R403 R404 K410F395-R406 HydrophobicContact CD1-CB 4.17Å; F395-R406 HydrophobicContact CD2-CB 4.12Å; F395-R406 HydrophobicContact CE1-CB 4.28Å; F395-R406 HydrophobicContact CE2-CB 4.22Å; F395-R406 HydrophobicContact CG-CB 4.08Å; F395-R406 HydrophobicContact CZ-CB 4.3Å; L398-R406 HydrophobicContact CD1-CB 4.36Å; L398-R406 HydrophobicContact CD1-CG 3.8Å; Q402-R406 WeakPolarHBondContact O-CB 3.27Å; Q402-R406 WeakPolarHBondContact O-CG 3.42Å; Q402-R406 PolarHBondContact O-N 3.39Å; R403-R406 PolarHBondContact O-N 3.39Å; R404-R406 PolarHBondContact O-N 3.11Å; R406-K410 PolarHBondContact O-N 3.03Å
407L88.4Confident85.5Confident0 Ų085 Ų850%040%0.403CS..Hα-helixtrans-66.3-43.2173.1-69.1168.5000111F395 R403 R404 K410 L411 Y468 W471 L472 A475F395-L407 HydrophobicContact CD2-CD2 3.78Å; F395-L407 HydrophobicContact CD2-CG 4.13Å; F395-L407 HydrophobicContact CE2-CD2 4.33Å; R403-L407 HydrophobicContact CG-CD1 3.79Å; R403-L407 HydrophobicContact CG-CG 4.42Å; R403-L407 WeakPolarHBondContact O-CB 3.32Å; R403-L407 VanDerWaalsContact O-CG 3.27Å; R403-L407 WeakPolarHBondContact O-CG 3.45Å; R403-L407 PolarHBondContact O-N 3.24Å; R404-L407 PolarHBondContact O-N 3.05Å; L407-K410 PolarHBondContact O-N 3.26Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.28Å; L407-Y468 HydrophobicContact CD2-CD1 3.64Å; L407-Y468 HydrophobicContact CD2-CE1 4.12Å; L407-W471 HydrophobicContact CD1-CB 4.17Å; L407-W471 HydrophobicContact CD2-CB 3.96Å; L407-W471 HydrophobicContact CD2-CE3 4.24Å; L407-L472 HydrophobicContact CB-CB 4.34Å; L407-L472 HydrophobicContact CB-CD1 4Å; L407-A475 HydrophobicContact CD1-CB 4.41Å
408Q89.1Confident86.6Confident84 Ų8480.9 Ų80.939%0.39339%0.385SS..Hα-helixtrans-59.5-47.1173.2-74.8172.1-39.200112.4R404 K410 L411 E412 L472R404-Q408 WeakPolarHBondContact O-CB 3.31Å; R404-Q408 WeakPolarHBondContact O-CG 3.34Å; R404-Q408 PolarHBondContact O-N 2.72Å; Q408-K410 VanDerWaalsContact C-N 3.27Å; Q408-K410 PolarHBondContact O-N 3.46Å; Q408-L411 PolarHBondContact O-N 3.41Å; Q408-L411 VanDerWaalsContact O-N 3.16Å; Q408-E412 PolarHBondContact O-N 3.12Å; Q408-L472 HydrophobicContact CG-CD1 3.85Å; Q408-L472 HydrophobicContact CG-CD2 3.87Å
409Q91.3Very high87.5Confident93 Ų9384 Ų8444%0.43540%0.398SS..Hα-helixtrans-58.5-39.4175.3-175-177.6-8.600111.9K405 E412 E413K405-Q409 PolarHBondContact O-N 3.11Å; Q409-E412 PolarHBondContact O-N 2.9Å; Q409-E413 PolarHBondContact NE2-OE1 3.47Å; Q409-E413 WeakPolarHBondContact O-CG 3.21Å; Q409-E413 PolarHBondContact O-N 3.34Å
410K90.9Very high88.7Confident72 Ų7285.7 Ų85.731%0.31340%0.398SS..Hα-helixtrans-68.1-36.6176.4-85-72.5163.6-157.80113.4F395 R406 L407 Q408 E413 I414 Y468F395-K410 HydrophobicContact CE2-CG 4.08Å; F395-K410 HydrophobicContact CZ-CG 4.2Å; R406-K410 PolarHBondContact O-N 3.03Å; L407-K410 PolarHBondContact O-N 3.26Å; Q408-K410 VanDerWaalsContact C-N 3.27Å; Q408-K410 PolarHBondContact O-N 3.46Å; K410-E413 WeakPolarHBondContact CE-OE2 3.36Å; K410-E413 IonicContact NZ-OE2 2.74Å; K410-E413 PolarHBondContact NZ-OE2 2.93Å; K410-E413 PolarHBondContact O-N 3Å; K410-I414 WeakPolarHBondContact O-CB 3.5Å; K410-I414 WeakPolarHBondContact O-CD1 3.22Å; K410-I414 VanDerWaalsContact O-CG1 3.24Å; K410-I414 WeakPolarHBondContact O-CG1 3.43Å; K410-I414 PolarHBondContact O-N 3.22Å; K410-Y468 HydrophobicContact CB-CD1 4.07Å; K410-Y468 HydrophobicContact CB-CE1 4.12Å; K410-Y468 HydrophobicContact CB-CG 4.37Å; K410-Y468 HydrophobicContact CG-CE1 4.28Å
411L92.6Very high89.8Confident27 Ų2782 Ų8214%0.14137%0.373CS..Hα-helixtrans-64-40.7173.4-74.6164.1000111.9L407 Q408 I414 S415 L465 E469 L472L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.28Å; Q408-L411 PolarHBondContact O-N 3.41Å; Q408-L411 VanDerWaalsContact O-N 3.16Å; L411-I414 PolarHBondContact O-N 3.31Å; L411-S415 WeakPolarHBondContact O-CB 3.48Å; L411-S415 PolarHBondContact O-N 2.94Å; L411-L465 HydrophobicContact CD2-CD2 3.89Å; L411-L465 HydrophobicContact CD2-CG 3.93Å; L411-L465 WeakPolarHBondContact CD2-O 3.35Å; L411-E469 HydrophobicContact CD2-CB 4.2Å; L411-L472 HydrophobicContact CD1-CB 4.32Å; L411-L472 HydrophobicContact CD1-CD2 3.68Å
412E93.6Very high90.8Very high144 Ų14478.9 Ų78.967%0.67336%0.362SS*.Hα-helixtrans-63.6-46.3175.2-168.4-174.4172.600111.8Q408 Q409 I414 S415 K416Q408-E412 PolarHBondContact O-N 3.12Å; Q409-E412 PolarHBondContact O-N 2.9Å; E412-I414 PolarHBondContact O-N 3.36Å; E412-S415 PolarHBondContact O-N 3.06Å; E412-K416 WeakPolarHBondContact O-CB 3.36Å; E412-K416 PolarHBondContact O-N 3.47Å
413E94.8Very high91.8Very high85 Ų8577.5 Ų77.540%0.39736%0.358SS..Hα-helixtrans-59.3-44.4176-73.9174-162.400112.4Q409 K410 E417Q409-E413 PolarHBondContact NE2-OE1 3.47Å; Q409-E413 WeakPolarHBondContact O-CG 3.21Å; Q409-E413 PolarHBondContact O-N 3.34Å; K410-E413 WeakPolarHBondContact CE-OE2 3.36Å; K410-E413 IonicContact NZ-OE2 2.74Å; K410-E413 PolarHBondContact NZ-OE2 2.93Å; K410-E413 PolarHBondContact O-N 3Å; E413-E417 PolarHBondContact O-N 3.02Å
414I93.3Very high92.3Very high15 Ų1579.5 Ų79.58%0.07737%0.369CS..Hα-helixtrans-70.9-42.8179.8-68.3163.8000111.2K410 L411 E412 K416 E417 L418 L461 E464 L465 Y468K410-I414 WeakPolarHBondContact O-CB 3.5Å; K410-I414 WeakPolarHBondContact O-CD1 3.22Å; K410-I414 VanDerWaalsContact O-CG1 3.24Å; K410-I414 WeakPolarHBondContact O-CG1 3.43Å; K410-I414 PolarHBondContact O-N 3.22Å; L411-I414 PolarHBondContact O-N 3.31Å; E412-I414 PolarHBondContact O-N 3.36Å; I414-K416 VanDerWaalsContact C-N 3.31Å; I414-K416 PolarHBondContact O-N 3.37Å; I414-E417 PolarHBondContact O-N 3.41Å; I414-L418 VanDerWaalsContact O-CB 3.26Å; I414-L418 WeakPolarHBondContact O-CB 3.27Å; I414-L418 PolarHBondContact O-N 3.22Å; I414-L461 HydrophobicContact CG2-CD2 4.29Å; I414-L461 WeakPolarHBondContact CG2-O 3.48Å; I414-E464 HydrophobicContact CD1-CB 4.25Å; I414-E464 HydrophobicContact CG2-CB 4.49Å; I414-L465 HydrophobicContact CG2-CB 3.9Å; I414-L465 HydrophobicContact CG2-CG 4.39Å; I414-Y468 HydrophobicContact CD1-CD2 3.31Å; I414-Y468 HydrophobicContact CD1-CE2 3.65Å; I414-Y468 HydrophobicContact CD1-CG 4.25Å
415S94.4Very high92.8Very high63 Ų6376.4 Ų76.444%0.44136%0.363SS..Hα-helixtrans-59.1-42176.9-177.20000111.7L411 E412 L418 Q419L411-S415 WeakPolarHBondContact O-CB 3.48Å; L411-S415 PolarHBondContact O-N 2.94Å; E412-S415 PolarHBondContact O-N 3.06Å; S415-L418 PolarHBondContact O-N 3.19Å; S415-Q419 PolarHBondContact O-N 2.96Å
416K96Very high93.1Very high164 Ų16474.2 Ų74.271%0.71336%0.355SS*.Hα-helixtrans-65.2-41177.7-173.9172-175.8169.50113.4E412 I414 K420E412-K416 WeakPolarHBondContact O-CB 3.36Å; E412-K416 PolarHBondContact O-N 3.47Å; I414-K416 VanDerWaalsContact C-N 3.31Å; I414-K416 PolarHBondContact O-N 3.37Å; K416-K420 PolarHBondContact O-N 3.32Å
417E92.9Very high93.5Very high79 Ų7970.6 Ų70.637%0.36935%0.352SS..Hα-helixtrans-74.8-32.4177-171.864.3-172.100111.8E413 I414 K420 E421 L461E413-E417 PolarHBondContact O-N 3.02Å; I414-E417 PolarHBondContact O-N 3.41Å; E417-K420 PolarHBondContact O-N 3.1Å; E417-K420 IonicContact OE1-NZ 2.58Å; E417-K420 PolarHBondContact OE1-NZ 2.76Å; E417-K420 IonicContact OE2-NZ 2.6Å; E417-K420 PolarHBondContact OE2-NZ 2.98Å; E417-E421 PolarHBondContact O-N 3.05Å; E417-E421 VanDerWaalsContact O-N 3.1Å; E417-L461 HydrophobicContact CG-CD1 4.15Å; E417-L461 HydrophobicContact CG-CD2 4.46Å
418L95.5Very high93.8Very high25 Ų2571 Ų7113%0.13135%0.354CS..Hα-helixtrans-62.3-47.2171.817560.1000111.5I414 S415 K420 E421 V422 I458 L461 R462 L465I414-L418 VanDerWaalsContact O-CB 3.26Å; I414-L418 WeakPolarHBondContact O-CB 3.27Å; I414-L418 PolarHBondContact O-N 3.22Å; S415-L418 PolarHBondContact O-N 3.19Å; L418-K420 VanDerWaalsContact C-N 3.29Å; L418-K420 PolarHBondContact O-N 3.06Å; L418-E421 PolarHBondContact O-N 3.29Å; L418-V422 HydrophobicContact CD1-CG2 4.39Å; L418-V422 WeakPolarHBondContact O-CG2 3.47Å; L418-V422 PolarHBondContact O-N 3.47Å; L418-I458 HydrophobicContact CD1-CB 4.38Å; L418-I458 HydrophobicContact CD1-CG2 3.97Å; L418-L461 HydrophobicContact CB-CB 4.16Å; L418-L461 HydrophobicContact CB-CD1 4.49Å; L418-L461 HydrophobicContact CD1-CB 3.99Å; L418-R462 HydrophobicContact CD1-CG 4.08Å; L418-R462 HydrophobicContact CD2-CG 4.1Å; L418-L465 HydrophobicContact CD2-CD1 3.91Å
419Q94.7Very high93.9Very high104 Ų10468.4 Ų68.449%0.48635%0.35SS..Hα-helixtrans-58.1-44.1175.7-174.761.652.100111.1S415 E421 V422 D423S415-Q419 PolarHBondContact O-N 2.96Å; Q419-E421 PolarHBondContact O-N 3.05Å; Q419-V422 WeakPolarHBondContact O-CA 3.29Å; Q419-V422 WeakPolarHBondContact O-CB 3.38Å; Q419-V422 PolarHBondContact O-N 3.42Å; Q419-V422 VanDerWaalsContact O-N 3.1Å; Q419-D423 PolarHBondContact NE2-OD1 2.91Å; Q419-D423 PolarHBondContact O-N 3.19Å
420K95.4Very high94Very high105 Ų10570 Ų7046%0.45736%0.355SS..Hα-helixtrans-62.2-36.9178.8169.2166.5150-770113.8K416 E417 L418 Q424K416-K420 PolarHBondContact O-N 3.32Å; E417-K420 PolarHBondContact O-N 3.1Å; E417-K420 IonicContact OE1-NZ 2.58Å; E417-K420 PolarHBondContact OE1-NZ 2.76Å; E417-K420 IonicContact OE2-NZ 2.6Å; E417-K420 PolarHBondContact OE2-NZ 2.98Å; L418-K420 VanDerWaalsContact C-N 3.29Å; L418-K420 PolarHBondContact O-N 3.06Å; K420-Q424 WeakPolarHBondContact O-CB 3.42Å; K420-Q424 PolarHBondContact O-N 3.24Å; K420-Q424 VanDerWaalsContact O-N 3.09Å
421E94.8Very high93.9Very high16 Ų1670.5 Ų70.58%0.07536%0.36CS..Hα-helixtrans-74.7-31.1172-79.5-83.2-156.100112.6E417 L418 Q419 Q424 S425 T454 N457 I458 L461E417-E421 PolarHBondContact O-N 3.05Å; E417-E421 VanDerWaalsContact O-N 3.1Å; L418-E421 PolarHBondContact O-N 3.29Å; Q419-E421 PolarHBondContact O-N 3.05Å; E421-Q424 PolarHBondContact O-N 2.99Å; E421-Q424 PolarHBondContact OE2-NE2 3.39Å; E421-S425 WeakPolarHBondContact O-CB 3.23Å; E421-S425 PolarHBondContact O-N 3.06Å; E421-T454 VanDerWaalsContact O-CG2 3.28Å; E421-T454 WeakPolarHBondContact O-CG2 3.28Å; E421-T454 WeakPolarHBondContact OE2-CB 3.42Å; E421-T454 VanDerWaalsContact OE2-CG2 3.28Å; E421-T454 WeakPolarHBondContact OE2-CG2 3.36Å; E421-T454 PolarHBondContact OE2-OG1 3.42Å; E421-N457 HydrophobicContact CG-CB 4.21Å; E421-N457 WeakPolarHBondContact OE1-CB 3.36Å; E421-N457 PolarHBondContact OE1-ND2 3.43Å; E421-I458 HydrophobicContact CB-CG1 3.84Å; E421-L461 HydrophobicContact CG-CD1 4.29Å
422V95.3Very high93.8Very high51 Ų5172.6 Ų72.631%0.30937%0.368SS..Hα-helixtrans-63.9-47.1170.9169.20000111L418 Q419 Q424 S425 E426 I458L418-V422 HydrophobicContact CD1-CG2 4.39Å; L418-V422 WeakPolarHBondContact O-CG2 3.47Å; L418-V422 PolarHBondContact O-N 3.47Å; Q419-V422 WeakPolarHBondContact O-CA 3.29Å; Q419-V422 WeakPolarHBondContact O-CB 3.38Å; Q419-V422 PolarHBondContact O-N 3.42Å; Q419-V422 VanDerWaalsContact O-N 3.1Å; V422-Q424 VanDerWaalsContact C-N 3.3Å; V422-Q424 PolarHBondContact O-N 2.72Å; V422-S425 VanDerWaalsContact O-CB 3.31Å; V422-S425 WeakPolarHBondContact O-CB 3.49Å; V422-S425 PolarHBondContact O-N 2.8Å; V422-S425 VanDerWaalsContact O-N 3.09Å; V422-E426 PolarHBondContact O-N 3.42Å; V422-I458 HydrophobicContact CG2-CD1 4.07Å; V422-I458 HydrophobicContact CG2-CG1 4.24Å
423D94.9Very high93.7Very high84 Ų8469 Ų6945%0.44935%0.353SS..Hα-helixtrans-59.4-41.7175.7-60.3-18.7000111.1Q419 E426 A427Q419-D423 PolarHBondContact NE2-OD1 2.91Å; Q419-D423 PolarHBondContact O-N 3.19Å; D423-E426 PolarHBondContact O-N 2.85Å; D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 3.47Å
424Q93.6Very high93.6Very high77 Ų7768.5 Ų68.536%0.3636%0.356SS..Hα-helixtrans-63.7-39174.5-175.5170.3-69.500112K420 E421 V422 A427 L428 T454K420-Q424 WeakPolarHBondContact O-CB 3.42Å; K420-Q424 PolarHBondContact O-N 3.24Å; K420-Q424 VanDerWaalsContact O-N 3.09Å; E421-Q424 PolarHBondContact O-N 2.99Å; E421-Q424 PolarHBondContact OE2-NE2 3.39Å; V422-Q424 VanDerWaalsContact C-N 3.3Å; V422-Q424 PolarHBondContact O-N 2.72Å; Q424-A427 PolarHBondContact O-N 2.64Å; Q424-L428 HydrophobicContact CG-CD1 4.12Å; Q424-L428 WeakPolarHBondContact O-CB 3.16Å; Q424-L428 VanDerWaalsContact O-CG 3.27Å; Q424-L428 WeakPolarHBondContact O-CG 3.37Å; Q424-L428 PolarHBondContact O-N 3.33Å; Q424-T454 PolarHBondContact NE2-OG1 2.99Å
425S94.8Very high93.5Very high34 Ų3470.1 Ų70.124%0.23836%0.361CS..Hα-helixtrans-63.9-44.6175.8-160.40000111.8E421 V422 A427 L428 G429E421-S425 WeakPolarHBondContact O-CB 3.23Å; E421-S425 PolarHBondContact O-N 3.06Å; V422-S425 VanDerWaalsContact O-CB 3.31Å; V422-S425 WeakPolarHBondContact O-CB 3.49Å; V422-S425 PolarHBondContact O-N 2.8Å; V422-S425 VanDerWaalsContact O-N 3.09Å; S425-A427 PolarHBondContact O-N 2.99Å; S425-L428 PolarHBondContact O-N 3.14Å; S425-G429 PolarHBondContact O-N 2.92Å
426E94.6Very high93.3Very high110 Ų11072.4 Ų72.451%0.51437%0.365SS..Hα-helixtrans-64.8-39.9177.2-161.7-168.4148.900111.6V422 D423 G429 K430V422-E426 PolarHBondContact O-N 3.42Å; D423-E426 PolarHBondContact O-N 2.85Å; E426-G429 PolarHBondContact O-N 3.11Å; E426-K430 WeakPolarHBondContact O-CG 3.33Å; E426-K430 PolarHBondContact O-N 3.14Å; E426-K430 WeakPolarHBondContact OE1-CE 3.23Å; E426-K430 IonicContact OE1-NZ 3.36Å; E426-K430 PolarHBondContact OE1-NZ 2.95Å
427A93.4Very high93Very high51 Ų5172.1 Ų72.142%0.42136%0.364SS..Hα-helixtrans-62.9-43.4174.100000112.4D423 Q424 S425 K430 M431D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 3.47Å; Q424-A427 PolarHBondContact O-N 2.64Å; S425-A427 PolarHBondContact O-N 2.99Å; A427-K430 PolarHBondContact O-N 3.39Å; A427-M431 WeakPolarHBondContact O-CG 3.38Å; A427-M431 PolarHBondContact O-N 3.04Å
428L93.8Very high92.9Very high7 Ų771.1 Ų71.14%0.03736%0.361CS..Hα-helixtrans-65.6-37.8175.6-72.8166.7000112.3Q424 S425 M431 K432 L447 Q450 I451Q424-L428 HydrophobicContact CG-CD1 4.12Å; Q424-L428 WeakPolarHBondContact O-CB 3.16Å; Q424-L428 VanDerWaalsContact O-CG 3.27Å; Q424-L428 WeakPolarHBondContact O-CG 3.37Å; Q424-L428 PolarHBondContact O-N 3.33Å; S425-L428 PolarHBondContact O-N 3.14Å; L428-M431 PolarHBondContact O-N 3.31Å; L428-K432 PolarHBondContact O-N 3.28Å; L428-L447 HydrophobicContact CD2-CD2 4.46Å; L428-Q450 HydrophobicContact CD1-CB 4.44Å; L428-Q450 HydrophobicContact CD1-CG 3.87Å; L428-Q450 HydrophobicContact CD2-CB 4.45Å; L428-Q450 HydrophobicContact CD2-CG 4.14Å; L428-I451 HydrophobicContact CB-CG1 3.86Å; L428-I451 HydrophobicContact CD1-CG1 4.46Å
429G90.9Very high92.3Very high30 Ų3075.2 Ų75.231%0.30939%0.389SS..Hα-helixtrans-59.1-49.8171.500000111.9S425 E426 M431 K432 D433S425-G429 PolarHBondContact O-N 2.92Å; E426-G429 PolarHBondContact O-N 3.11Å; G429-M431 VanDerWaalsContact C-N 3.3Å; G429-M431 PolarHBondContact O-N 3.13Å; G429-K432 WeakPolarHBondContact O-CB 3.33Å; G429-K432 PolarHBondContact O-N 2.94Å; G429-D433 PolarHBondContact O-N 2.96Å
430K93.3Very high91.9Very high126 Ų12678 Ų7855%0.54840%0.402SS..Hα-helixtrans-60.5-36.5175.4-71.3169.1-176.2168.70112.7E426 A427 V434E426-K430 WeakPolarHBondContact O-CG 3.33Å; E426-K430 PolarHBondContact O-N 3.14Å; E426-K430 WeakPolarHBondContact OE1-CE 3.23Å; E426-K430 IonicContact OE1-NZ 3.36Å; E426-K430 PolarHBondContact OE1-NZ 2.95Å; A427-K430 PolarHBondContact O-N 3.39Å; K430-V434 WeakPolarHBondContact O-CG2 3.1Å; K430-V434 PolarHBondContact O-N 2.71Å
431M89.1Confident91.3Very high83 Ų8377.9 Ų77.941%0.40940%0.404SS..Hα-helixtrans-67.4-42.8173.9-75.6-176.661.600112.7A427 L428 G429 D433 V434 Y435 L447A427-M431 WeakPolarHBondContact O-CG 3.38Å; A427-M431 PolarHBondContact O-N 3.04Å; L428-M431 PolarHBondContact O-N 3.31Å; G429-M431 VanDerWaalsContact C-N 3.3Å; G429-M431 PolarHBondContact O-N 3.13Å; M431-D433 VanDerWaalsContact C-N 3.33Å; M431-D433 PolarHBondContact O-N 3.28Å; M431-V434 PolarHBondContact O-N 2.62Å; M431-Y435 PolarHBondContact O-N 3.05Å; M431-Y435 VanDerWaalsContact O-N 3.07Å; M431-L447 HydrophobicContact CB-CD1 3.74Å; M431-L447 HydrophobicContact CE-CD2 4.3Å
432K91.3Very high90.8Very high71 Ų7178.3 Ų78.331%0.30941%0.413SS..Hα-helixtrans-57-48.2174.3-178.6-172172.7-75.10110.7L428 G429 V434 Y435 E436 P444 L447 I451L428-K432 PolarHBondContact O-N 3.28Å; G429-K432 WeakPolarHBondContact O-CB 3.33Å; G429-K432 PolarHBondContact O-N 2.94Å; K432-V434 VanDerWaalsContact C-N 3.28Å; K432-V434 PolarHBondContact O-N 3.13Å; K432-Y435 PolarHBondContact O-N 3.49Å; K432-E436 VanDerWaalsContact NZ-CD 3.33Å; K432-E436 IonicContact NZ-OE1 3.14Å; K432-E436 PolarHBondContact NZ-OE1 3.34Å; K432-E436 IonicContact NZ-OE2 2.72Å; K432-E436 PolarHBondContact NZ-OE2 2.94Å; K432-E436 VanDerWaalsContact O-CB 3.3Å; K432-E436 WeakPolarHBondContact O-CB 3.3Å; K432-E436 PolarHBondContact O-N 3.22Å; K432-P444 HydrophobicContact CG-CB 4.19Å; K432-L447 HydrophobicContact CB-CD1 4.24Å; K432-I451 HydrophobicContact CB-CD1 4.36Å; K432-I451 HydrophobicContact CD-CD1 4.29Å
433D90.8Very high90.4Very high70 Ų7080.4 Ų80.437%0.37442%0.422SS..Hα-helixtrans-55.2-40.7177-103.351.9000113G429 M431 K437G429-D433 PolarHBondContact O-N 2.96Å; M431-D433 VanDerWaalsContact C-N 3.33Å; M431-D433 PolarHBondContact O-N 3.28Å; D433-K437 WeakPolarHBondContact O-CB 3.48Å; D433-K437 VanDerWaalsContact O-CD 3.31Å; D433-K437 WeakPolarHBondContact O-CD 3.33Å; D433-K437 VanDerWaalsContact O-CG 3.24Å; D433-K437 WeakPolarHBondContact O-CG 3.32Å; D433-K437 PolarHBondContact O-N 3.45Å; D433-K437 IonicContact OD2-NZ 2.61Å; D433-K437 PolarHBondContact OD2-NZ 3.38Å
434V92.1Very high90Very high74 Ų7478 Ų7845%0.44841%0.412SS..Hα-helixtrans-69.9-40.6178.2168.70000111.8K430 M431 K432 N438 M441K430-V434 WeakPolarHBondContact O-CG2 3.1Å; K430-V434 PolarHBondContact O-N 2.71Å; M431-V434 PolarHBondContact O-N 2.62Å; K432-V434 VanDerWaalsContact C-N 3.28Å; K432-V434 PolarHBondContact O-N 3.13Å; V434-N438 PolarHBondContact O-N 2.86Å; V434-M441 HydrophobicContact CG1-CB 4.5Å
435Y92.7Very high89.7Confident49 Ų4977.5 Ų77.519%0.19242%0.42CS..Hα-helixtrans-68-38.9176.4-69.7-4.1000111.7M431 K432 K437 N438 M441 G442 L447M431-Y435 PolarHBondContact O-N 3.05Å; M431-Y435 VanDerWaalsContact O-N 3.07Å; K432-Y435 PolarHBondContact O-N 3.49Å; Y435-K437 VanDerWaalsContact C-N 3.35Å; Y435-K437 PolarHBondContact O-N 3.27Å; Y435-N438 CarbonylContact O-C 3.37Å; Y435-N438 PolarHBondContact O-N 3.29Å; Y435-M441 HydrophobicContact CD1-CB 3.96Å; Y435-M441 HydrophobicContact CE1-CB 4.18Å; Y435-M441 WeakPolarHBondContact CE1-O 3.33Å; Y435-G442 WeakPolarHBondContact CB-O 3.42Å; Y435-L447 HydrophobicContact CD2-CD1 3.73Å; Y435-L447 HydrophobicContact CD2-CG 4.15Å; Y435-L447 HydrophobicContact CE2-CD1 3.81Å; Y435-L447 HydrophobicContact CE2-CD2 4.24Å; Y435-L447 HydrophobicContact CE2-CG 4Å
436E89.6Confident89.5Confident110 Ų11079.4 Ų79.451%0.51443%0.434SS..Hα-helixtrans-71-30.9-179.4-169.7163.1-149.300112.2K432 P444K432-E436 VanDerWaalsContact NZ-CD 3.33Å; K432-E436 IonicContact NZ-OE1 3.14Å; K432-E436 PolarHBondContact NZ-OE1 3.34Å; K432-E436 IonicContact NZ-OE2 2.72Å; K432-E436 PolarHBondContact NZ-OE2 2.94Å; K432-E436 VanDerWaalsContact O-CB 3.3Å; K432-E436 WeakPolarHBondContact O-CB 3.3Å; K432-E436 PolarHBondContact O-N 3.22Å; E436-P444 HydrophobicContact CB-CG 3.92Å
437K90.9Very high89.3Confident158 Ų15874.7 Ų74.769%0.68741%0.412SS*.Hα-helixtrans-87.5-16.3174.9-68.4163.3-173.2162.30113.7D433 Y435D433-K437 WeakPolarHBondContact O-CB 3.48Å; D433-K437 VanDerWaalsContact O-CD 3.31Å; D433-K437 WeakPolarHBondContact O-CD 3.33Å; D433-K437 VanDerWaalsContact O-CG 3.24Å; D433-K437 WeakPolarHBondContact O-CG 3.32Å; D433-K437 PolarHBondContact O-N 3.45Å; D433-K437 IonicContact OD2-NZ 2.61Å; D433-K437 PolarHBondContact OD2-NZ 3.38Å; Y435-K437 VanDerWaalsContact C-N 3.35Å; Y435-K437 PolarHBondContact O-N 3.27Å
438N89.3Confident89Confident59 Ų5975 Ų7532%0.31641%0.414SS..  trans-147.985.9-178.6-165.62.5000112.8V434 Y435 Q440 M441V434-N438 PolarHBondContact O-N 2.86Å; Y435-N438 CarbonylContact O-C 3.37Å; Y435-N438 PolarHBondContact O-N 3.29Å; N438-Q440 PolarHBondContact ND2-NE2 2.93Å; N438-Q440 PolarHBondContact O-N 3.39Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.44Å; N438-M441 HydrophobicContact CB-CG 4.03Å; N438-M441 WeakPolarHBondContact O-CB 3.49Å; N438-M441 PolarHBondContact O-N 2.6Å
439P83.6Confident88.9Confident111 Ų11179.8 Ų79.872%0.72144%0.444SS*.THydrogen-bonded Turntrans-59.2-15.5-172.4-28.236.3000116.5M441P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 3.27Å
440Q86.4Confident88.9Confident161 Ų16183 Ų8375%0.75245%0.451SS*.THydrogen-bonded Turntrans-74.9-13.9174.782.1-164.78.600113.3N438N438-Q440 PolarHBondContact ND2-NE2 2.93Å; N438-Q440 PolarHBondContact O-N 3.39Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.44Å
441M81.6Confident88.7Confident104 Ų10479 Ų7951%0.51244%0.435SS..SBendtrans-90.5-20.8-176-64.7-62.9-61.900113.4V434 Y435 N438 P439V434-M441 HydrophobicContact CG1-CB 4.5Å; Y435-M441 HydrophobicContact CD1-CB 3.96Å; Y435-M441 HydrophobicContact CE1-CB 4.18Å; Y435-M441 WeakPolarHBondContact CE1-O 3.33Å; N438-M441 HydrophobicContact CB-CG 4.03Å; N438-M441 WeakPolarHBondContact O-CB 3.49Å; N438-M441 PolarHBondContact O-N 2.6Å; P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 3.27Å
442G85.6Confident88.9Confident24 Ų2477.8 Ų77.825%0.24743%0.434CS..  trans158.2169.9-178.100000112.4Y435Y435-G442 WeakPolarHBondContact CB-O 3.42Å
443D86.8Confident88.9Confident96 Ų9679.6 Ų79.651%0.51344%0.444SS..  trans-96.1121176.1170.614.7000110.2A445 S446D443-A445 PolarHBondContact O-N 3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.26Å; D443-A445 PolarHBondContact OD1-N 3.12Å; D443-S446 WeakPolarHBondContact O-CB 3Å; D443-S446 PolarHBondContact O-N 2.89Å; D443-S446 VanDerWaalsContact O-N 3.11Å; D443-S446 PolarHBondContact O-OG 3.15Å
444P85.7Confident89.1Confident34 Ų3476.3 Ų76.322%0.22143%0.426CS..G310 helixtrans-54-32.5175.3-2635.2000114.3K432 E436 S446 L447K432-P444 HydrophobicContact CG-CB 4.19Å; E436-P444 HydrophobicContact CB-CG 3.92Å; P444-S446 VanDerWaalsContact C-N 3.27Å; P444-S446 PolarHBondContact O-N 3.01Å; P444-L447 PolarHBondContact O-N 2.87Å
445A88.2Confident89.1Confident65 Ų6575.4 Ų75.454%0.53742%0.424SS..G310 helixtrans-67.9-27.3-178.900000112.5D443 L447 A448D443-A445 PolarHBondContact O-N 3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.26Å; D443-A445 PolarHBondContact OD1-N 3.12Å; A445-L447 PolarHBondContact O-N 3.4Å; A445-A448 WeakPolarHBondContact O-CB 3.48Å; A445-A448 PolarHBondContact O-N 3.24Å; A445-A448 VanDerWaalsContact O-N 3.17Å
446S89.9Confident89.2Confident75 Ų7578.9 Ų78.952%0.52444%0.442SS..G310 helixtrans-62.5-26.6177.171.30000113.6D443 P444D443-S446 WeakPolarHBondContact O-CB 3Å; D443-S446 PolarHBondContact O-N 2.89Å; D443-S446 VanDerWaalsContact O-N 3.11Å; D443-S446 PolarHBondContact O-OG 3.15Å; P444-S446 VanDerWaalsContact C-N 3.27Å; P444-S446 PolarHBondContact O-N 3.01Å
447L90.8Very high89.3Confident11 Ų1175.6 Ų75.66%0.05843%0.428CS..G310 helixtrans-85.6-15.2179.3-59.8177.9000113.3L428 M431 K432 Y435 P444 A445 T449 Q450 I451L428-L447 HydrophobicContact CD2-CD2 4.46Å; M431-L447 HydrophobicContact CB-CD1 3.74Å; M431-L447 HydrophobicContact CE-CD2 4.3Å; K432-L447 HydrophobicContact CB-CD1 4.24Å; Y435-L447 HydrophobicContact CD2-CD1 3.73Å; Y435-L447 HydrophobicContact CD2-CG 4.15Å; Y435-L447 HydrophobicContact CE2-CD1 3.81Å; Y435-L447 HydrophobicContact CE2-CD2 4.24Å; Y435-L447 HydrophobicContact CE2-CG 4Å; P444-L447 PolarHBondContact O-N 2.87Å; A445-L447 PolarHBondContact O-N 3.4Å; L447-T449 VanDerWaalsContact C-N 3.32Å; L447-T449 PolarHBondContact O-N 2.86Å; L447-Q450 PolarHBondContact O-N 2.97Å; L447-I451 HydrophobicContact CB-CD1 4.02Å; L447-I451 WeakPolarHBondContact O-CG1 3.31Å; L447-I451 PolarHBondContact O-N 3.49Å
448A87.6Confident89.4Confident56 Ų5668.8 Ų68.846%0.46340%0.399SS..Hα-helixtrans-59.3-39.4-171.200000113.2A445 S452A445-A448 WeakPolarHBondContact O-CB 3.48Å; A445-A448 PolarHBondContact O-N 3.24Å; A445-A448 VanDerWaalsContact O-N 3.17Å; A448-S452 WeakPolarHBondContact O-CB 3.49Å; A448-S452 PolarHBondContact O-N 3.31Å
449T90.3Very high89.7Confident109 Ų10971.4 Ų71.467%0.66941%0.409SS*.Hα-helixtrans-63-42.4175.8-52.60000111.8L447 S452 Q453L447-T449 VanDerWaalsContact C-N 3.32Å; L447-T449 PolarHBondContact O-N 2.86Å; T449-S452 PolarHBondContact O-N 2.94Å; T449-Q453 WeakPolarHBondContact O-CB 3.36Å; T449-Q453 PolarHBondContact O-N 3.48Å
450Q90.5Very high90.2Very high97 Ų9771.6 Ų71.645%0.45340%0.395SS..Hα-helixtrans-73.5-38-178.1-164.6175.5-1200111.8L428 L447 S452 Q453 T454L428-Q450 HydrophobicContact CD1-CB 4.44Å; L428-Q450 HydrophobicContact CD1-CG 3.87Å; L428-Q450 HydrophobicContact CD2-CB 4.45Å; L428-Q450 HydrophobicContact CD2-CG 4.14Å; L447-Q450 PolarHBondContact O-N 2.97Å; Q450-S452 VanDerWaalsContact C-N 3.33Å; Q450-S452 PolarHBondContact O-N 3.08Å; Q450-Q453 PolarHBondContact O-N 2.68Å; Q450-T454 PolarHBondContact O-N 2.86Å
451I90.4Very high90.6Very high43 Ų4364.3 Ų64.322%0.22136%0.361CS..Hα-helixtrans-60.1-44.1171.7-67.9165000110.5L428 K432 L447 S455L428-I451 HydrophobicContact CB-CG1 3.86Å; L428-I451 HydrophobicContact CD1-CG1 4.46Å; K432-I451 HydrophobicContact CB-CD1 4.36Å; K432-I451 HydrophobicContact CD-CD1 4.29Å; L447-I451 HydrophobicContact CB-CD1 4.02Å; L447-I451 WeakPolarHBondContact O-CG1 3.31Å; L447-I451 PolarHBondContact O-N 3.49Å; I451-S455 WeakPolarHBondContact O-CB 3.29Å; I451-S455 PolarHBondContact O-N 3.4Å; I451-S455 PolarHBondContact O-OG 3.33Å
452S92.5Very high91.2Very high56 Ų5665.6 Ų65.639%0.39236%0.361SS..Hα-helixtrans-64.8-41.9176.3-166.40000112.2A448 T449 Q450 S455 Q456A448-S452 WeakPolarHBondContact O-CB 3.49Å; A448-S452 PolarHBondContact O-N 3.31Å; T449-S452 PolarHBondContact O-N 2.94Å; Q450-S452 VanDerWaalsContact C-N 3.33Å; Q450-S452 PolarHBondContact O-N 3.08Å; S452-S455 PolarHBondContact O-N 2.71Å; S452-Q456 WeakPolarHBondContact O-CG 3.3Å; S452-Q456 PolarHBondContact O-N 3.34Å; S452-Q456 PolarHBondContact OG-NE2 3.2Å
453Q92.6Very high91.6Very high109 Ų10966.5 Ų66.551%0.50937%0.37SS..Hα-helixtrans-60.5-50.7177.1-171.989.46800112T449 Q450 Q456 N457T449-Q453 WeakPolarHBondContact O-CB 3.36Å; T449-Q453 PolarHBondContact O-N 3.48Å; Q450-Q453 PolarHBondContact O-N 2.68Å; Q453-Q456 PolarHBondContact O-N 3.34Å; Q453-N457 PolarHBondContact O-N 3.48Å
454T93.3Very high91.8Very high1 Ų164.8 Ų64.81%0.00636%0.359CS..Hα-helixtrans-64.1-39.3176.8-84.10000111.5E421 Q424 Q450 Q456 N457 I458E421-T454 VanDerWaalsContact O-CG2 3.28Å; E421-T454 WeakPolarHBondContact O-CG2 3.28Å; E421-T454 WeakPolarHBondContact OE2-CB 3.42Å; E421-T454 VanDerWaalsContact OE2-CG2 3.28Å; E421-T454 WeakPolarHBondContact OE2-CG2 3.36Å; E421-T454 PolarHBondContact OE2-OG1 3.42Å; Q424-T454 PolarHBondContact NE2-OG1 2.99Å; Q450-T454 PolarHBondContact O-N 2.86Å; T454-Q456 VanDerWaalsContact C-N 3.32Å; T454-Q456 PolarHBondContact O-N 3.04Å; T454-N457 PolarHBondContact O-N 3.46Å; T454-N457 VanDerWaalsContact O-N 3.14Å; T454-I458 HydrophobicContact CG2-CD1 3.89Å; T454-I458 HydrophobicContact CG2-CG1 4.42Å; T454-I458 WeakPolarHBondContact O-CG1 3.33Å; T454-I458 PolarHBondContact O-N 2.99Å
455S92.7Very high92.1Very high56 Ų5665 Ų6539%0.39236%0.358SS..Hα-helixtrans-60-40.7175.4-59.30000112.4I451 S452 E459I451-S455 WeakPolarHBondContact O-CB 3.29Å; I451-S455 PolarHBondContact O-N 3.4Å; I451-S455 PolarHBondContact O-OG 3.33Å; S452-S455 PolarHBondContact O-N 2.71Å; S455-E459 PolarHBondContact O-N 3Å
456Q94.4Very high92.2Very high121 Ų12166.5 Ų66.557%0.56536%0.357SS*.Hα-helixtrans-69.1-35.6175.1-69.5170.63200112.3S452 Q453 T454 E459 R460S452-Q456 WeakPolarHBondContact O-CG 3.3Å; S452-Q456 PolarHBondContact O-N 3.34Å; S452-Q456 PolarHBondContact OG-NE2 3.2Å; Q453-Q456 PolarHBondContact O-N 3.34Å; T454-Q456 VanDerWaalsContact C-N 3.32Å; T454-Q456 PolarHBondContact O-N 3.04Å; Q456-E459 PolarHBondContact O-N 3.05Å; Q456-R460 WeakPolarHBondContact O-CB 3.18Å; Q456-R460 PolarHBondContact O-N 2.94Å
457N91.9Very high92.4Very high42 Ų4266.7 Ų66.723%0.22535%0.348CS..Hα-helixtrans-66.6-42.7174.9-77.5-13.4000112.3E421 Q453 T454 E459 R460 L461E421-N457 HydrophobicContact CG-CB 4.21Å; E421-N457 WeakPolarHBondContact OE1-CB 3.36Å; E421-N457 PolarHBondContact OE1-ND2 3.43Å; Q453-N457 PolarHBondContact O-N 3.48Å; T454-N457 PolarHBondContact O-N 3.46Å; T454-N457 VanDerWaalsContact O-N 3.14Å; N457-E459 VanDerWaalsContact C-N 3.34Å; N457-E459 PolarHBondContact O-N 3.49Å; N457-R460 PolarHBondContact O-N 2.89Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 VanDerWaalsContact O-CG 3.29Å; N457-L461 WeakPolarHBondContact O-CG 3.49Å; N457-L461 PolarHBondContact O-N 3.3Å
458I94.3Very high92.3Very high15 Ų1567.5 Ų67.58%0.07735%0.351CS..Hα-helixtrans-56.6-48.5173.9-71.9168.4000110.5L418 E421 V422 T454 L461 R462L418-I458 HydrophobicContact CD1-CB 4.38Å; L418-I458 HydrophobicContact CD1-CG2 3.97Å; E421-I458 HydrophobicContact CB-CG1 3.84Å; V422-I458 HydrophobicContact CG2-CD1 4.07Å; V422-I458 HydrophobicContact CG2-CG1 4.24Å; T454-I458 HydrophobicContact CG2-CD1 3.89Å; T454-I458 HydrophobicContact CG2-CG1 4.42Å; T454-I458 WeakPolarHBondContact O-CG1 3.33Å; T454-I458 PolarHBondContact O-N 2.99Å; I458-L461 PolarHBondContact O-N 2.75Å; I458-R462 WeakPolarHBondContact O-CG 3.32Å; I458-R462 PolarHBondContact O-N 3.19Å
459E94.3Very high92.4Very high114 Ų11469.7 Ų69.753%0.53335%0.352SS..Hα-helixtrans-69.8-36.8-176.5-159.458.2-157.800112.5S455 Q456 N457 R462 G463S455-E459 PolarHBondContact O-N 3Å; Q456-E459 PolarHBondContact O-N 3.05Å; N457-E459 VanDerWaalsContact C-N 3.34Å; N457-E459 PolarHBondContact O-N 3.49Å; E459-R462 PolarHBondContact O-N 3.48Å; E459-R462 WeakPolarHBondContact OE2-CD 3.18Å; E459-R462 IonicContact OE2-CZ 3.19Å; E459-R462 IonicContact OE2-NH1 3.19Å; E459-R462 PolarHBondContact OE2-NH1 3.39Å; E459-G463 PolarHBondContact O-N 3.03Å
460R95.3Very high92.3Very high114 Ų11467.7 Ų67.743%0.4334%0.339SS..Hα-helixtrans-60.4-47.3170.1-178.6-174.258.772.27.2111.7Q456 N457 R462 G463 E464Q456-R460 WeakPolarHBondContact O-CB 3.18Å; Q456-R460 PolarHBondContact O-N 2.94Å; N457-R460 PolarHBondContact O-N 2.89Å; R460-R462 VanDerWaalsContact C-N 3.34Å; R460-R462 PolarHBondContact O-N 3.17Å; R460-G463 PolarHBondContact O-N 3.45Å; R460-E464 WeakPolarHBondContact CD-OE1 3.46Å; R460-E464 VanDerWaalsContact CG-OE1 3.29Å; R460-E464 WeakPolarHBondContact CG-OE1 3.42Å; R460-E464 IonicContact CZ-OE1 2.77Å; R460-E464 IonicContact NH1-OE1 3.74Å; R460-E464 PolarHBondContact NH1-OE1 3.5Å; R460-E464 IonicContact NH1-OE2 2.63Å; R460-E464 PolarHBondContact NH1-OE2 3.12Å; R460-E464 WeakPolarHBondContact O-CG 3.03Å; R460-E464 PolarHBondContact O-N 3.31Å
461L94.7Very high92.1Very high8 Ų865.4 Ų65.44%0.04233%0.326CS..Hα-helixtrans-65.9-35.1-179.1-73.5166.4000112.1I414 E417 L418 E421 N457 I458 E464 L465I414-L461 HydrophobicContact CG2-CD2 4.29Å; I414-L461 WeakPolarHBondContact CG2-O 3.48Å; E417-L461 HydrophobicContact CG-CD1 4.15Å; E417-L461 HydrophobicContact CG-CD2 4.46Å; L418-L461 HydrophobicContact CB-CB 4.16Å; L418-L461 HydrophobicContact CB-CD1 4.49Å; L418-L461 HydrophobicContact CD1-CB 3.99Å; E421-L461 HydrophobicContact CG-CD1 4.29Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 VanDerWaalsContact O-CG 3.29Å; N457-L461 WeakPolarHBondContact O-CG 3.49Å; N457-L461 PolarHBondContact O-N 3.3Å; I458-L461 PolarHBondContact O-N 2.75Å; L461-E464 PolarHBondContact O-N 2.89Å; L461-L465 WeakPolarHBondContact O-CB 3.4Å; L461-L465 PolarHBondContact O-N 3.2Å
462R94.6Very high91.9Very high131 Ų13165.3 Ų65.349%0.49433%0.326SS..Hα-helixtrans-62.7-44.4169.8-73.6167171.1178.6-4.8112.5L418 I458 E459 R460 E464 L465 N466L418-R462 HydrophobicContact CD1-CG 4.08Å; L418-R462 HydrophobicContact CD2-CG 4.1Å; I458-R462 WeakPolarHBondContact O-CG 3.32Å; I458-R462 PolarHBondContact O-N 3.19Å; E459-R462 PolarHBondContact O-N 3.48Å; E459-R462 WeakPolarHBondContact OE2-CD 3.18Å; E459-R462 IonicContact OE2-CZ 3.19Å; E459-R462 IonicContact OE2-NH1 3.19Å; E459-R462 PolarHBondContact OE2-NH1 3.39Å; R460-R462 VanDerWaalsContact C-N 3.34Å; R460-R462 PolarHBondContact O-N 3.17Å; R462-E464 VanDerWaalsContact C-N 3.34Å; R462-L465 PolarHBondContact O-N 3.09Å; R462-N466 PolarHBondContact O-N 3.23Å
463G92.5Very high91.4Very high43 Ų4366.3 Ų66.344%0.44333%0.333SS..Hα-helixtrans-61.9-40.8175.300000112.7E459 R460 K467E459-G463 PolarHBondContact O-N 3.03Å; R460-G463 PolarHBondContact O-N 3.45Å; G463-K467 WeakPolarHBondContact O-CB 3.35Å; G463-K467 PolarHBondContact O-N 2.85Å; G463-K467 VanDerWaalsContact O-N 3.11Å
464E91.3Very high90.8Very high61 Ų6166.5 Ų66.529%0.28533%0.334SS..Hα-helixtrans-65.5-41.5173.5-74.1168.3-160.600111.9I414 R460 L461 R462 K467 Y468I414-E464 HydrophobicContact CD1-CB 4.25Å; I414-E464 HydrophobicContact CG2-CB 4.49Å; R460-E464 WeakPolarHBondContact CD-OE1 3.46Å; R460-E464 VanDerWaalsContact CG-OE1 3.29Å; R460-E464 WeakPolarHBondContact CG-OE1 3.42Å; R460-E464 IonicContact CZ-OE1 2.77Å; R460-E464 IonicContact NH1-OE1 3.74Å; R460-E464 PolarHBondContact NH1-OE1 3.5Å; R460-E464 IonicContact NH1-OE2 2.63Å; R460-E464 PolarHBondContact NH1-OE2 3.12Å; R460-E464 WeakPolarHBondContact O-CG 3.03Å; R460-E464 PolarHBondContact O-N 3.31Å; L461-E464 PolarHBondContact O-N 2.89Å; R462-E464 VanDerWaalsContact C-N 3.34Å; E464-K467 WeakPolarHBondContact O-CB 3.35Å; E464-K467 PolarHBondContact O-N 3.35Å; E464-Y468 VanDerWaalsContact O-CD2 3.27Å; E464-Y468 WeakPolarHBondContact O-CD2 3.46Å; E464-Y468 PolarHBondContact O-N 3.02Å; E464-Y468 VanDerWaalsContact O-N 3.09Å
465L92Very high89.6Confident37 Ų3767.5 Ų67.519%0.19434%0.342CS..Hα-helixtrans-60.6-52.9177.2-162161.7000111.1L411 I414 L418 L461 R462 K467 Y468 E469L411-L465 HydrophobicContact CD2-CD2 3.89Å; L411-L465 HydrophobicContact CD2-CG 3.93Å; L411-L465 WeakPolarHBondContact CD2-O 3.35Å; I414-L465 HydrophobicContact CG2-CB 3.9Å; I414-L465 HydrophobicContact CG2-CG 4.39Å; L418-L465 HydrophobicContact CD2-CD1 3.91Å; L461-L465 WeakPolarHBondContact O-CB 3.4Å; L461-L465 PolarHBondContact O-N 3.2Å; R462-L465 PolarHBondContact O-N 3.09Å; L465-K467 VanDerWaalsContact C-N 3.29Å; L465-K467 PolarHBondContact O-N 3.3Å; L465-Y468 PolarHBondContact O-N 2.76Å; L465-Y468 VanDerWaalsContact O-N 3.1Å; L465-E469 WeakPolarHBondContact O-CB 3.39Å; L465-E469 PolarHBondContact O-N 2.91Å
466N91.3Very high87.8Confident98 Ų9867.6 Ų67.652%0.52435%0.352SS..Hα-helixtrans-58.7-38.2178-176.715.2000112.6R462 E469 T470R462-N466 PolarHBondContact O-N 3.23Å; N466-E469 PolarHBondContact O-N 3.39Å; N466-T470 WeakPolarHBondContact O-CB 3.45Å; N466-T470 PolarHBondContact O-N 2.95Å; N466-T470 PolarHBondContact O-OG1 2.62Å
467K92.5Very high85.7Confident78 Ų7867.7 Ų67.734%0.33936%0.36SS..Hα-helixtrans-60.1-46.2174.3-179.5-165.8179.9-1560111.8E393 G463 E464 L465 W471E393-K467 IonicContact OE2-NZ 3.89Å; E393-K467 PolarHBondContact OE2-NZ 3.05Å; G463-K467 WeakPolarHBondContact O-CB 3.35Å; G463-K467 PolarHBondContact O-N 2.85Å; G463-K467 VanDerWaalsContact O-N 3.11Å; E464-K467 WeakPolarHBondContact O-CB 3.35Å; E464-K467 PolarHBondContact O-N 3.35Å; L465-K467 VanDerWaalsContact C-N 3.29Å; L465-K467 PolarHBondContact O-N 3.3Å; K467-W471 HydrophobicContact CD-CH2 4.27Å; K467-W471 HydrophobicContact CD-CZ3 4.42Å; K467-W471 HydrophobicContact CG-CE3 4.47Å; K467-W471 HydrophobicContact CG-CH2 4.29Å; K467-W471 HydrophobicContact CG-CZ2 4.34Å; K467-W471 HydrophobicContact CG-CZ3 4.32Å; K467-W471 PolarHBondContact O-N 2.97Å
468Y89.9Confident83.5Confident28 Ų2877.6 Ų77.611%0.1140%0.395CS..Hα-helixtrans-72.9-31.2177.7-81.6-72.4000113.3F395 L407 K410 I414 E464 L465 W471 L472F395-Y468 HydrophobicContact CE2-CE1 4.18Å; L407-Y468 HydrophobicContact CD2-CD1 3.64Å; L407-Y468 HydrophobicContact CD2-CE1 4.12Å; K410-Y468 HydrophobicContact CB-CD1 4.07Å; K410-Y468 HydrophobicContact CB-CE1 4.12Å; K410-Y468 HydrophobicContact CB-CG 4.37Å; K410-Y468 HydrophobicContact CG-CE1 4.28Å; I414-Y468 HydrophobicContact CD1-CD2 3.31Å; I414-Y468 HydrophobicContact CD1-CE2 3.65Å; I414-Y468 HydrophobicContact CD1-CG 4.25Å; E464-Y468 VanDerWaalsContact O-CD2 3.27Å; E464-Y468 WeakPolarHBondContact O-CD2 3.46Å; E464-Y468 PolarHBondContact O-N 3.02Å; E464-Y468 VanDerWaalsContact O-N 3.09Å; L465-Y468 PolarHBondContact O-N 2.76Å; L465-Y468 VanDerWaalsContact O-N 3.1Å; Y468-W471 AromaticContact CD1-CE3 3.73Å; Y468-W471 HydrophobicContact CD1-CE3 3.73Å; Y468-W471 HydrophobicContact CD1-CZ3 4.08Å; Y468-W471 AromaticContact CE1-CE3 3.79Å; Y468-W471 HydrophobicContact CE1-CE3 3.79Å; Y468-W471 AromaticContact CE1-CZ3 3.68Å; Y468-W471 HydrophobicContact CE1-CZ3 3.68Å; Y468-W471 HydrophobicContact CG-CE3 4.39Å; Y468-W471 PolarHBondContact O-N 3.24Å; Y468-L472 WeakPolarHBondContact O-CB 3.37Å; Y468-L472 PolarHBondContact O-N 3.45Å
469E89.2Confident80.9Confident103 Ų10380.4 Ų80.448%0.48143%0.427SS..Hα-helixtrans-69.3-40176-175.3170.3-156.300112.1L411 L465 N466 L472 S473L411-E469 HydrophobicContact CD2-CB 4.2Å; L465-E469 WeakPolarHBondContact O-CB 3.39Å; L465-E469 PolarHBondContact O-N 2.91Å; N466-E469 PolarHBondContact O-N 3.39Å; E469-L472 PolarHBondContact O-N 3.21Å; E469-S473 PolarHBondContact O-N 3.06Å; E469-S473 PolarHBondContact O-OG 2.71Å; E469-S473 VanDerWaalsContact O-OG 3.1Å
470T88.6Confident78.1Confident66 Ų6682.3 Ų82.341%0.40544%0.441SS..Hα-helixtrans-58.9-50.5171.2-59.20000110.8N466 L472 S473 E474N466-T470 WeakPolarHBondContact O-CB 3.45Å; N466-T470 PolarHBondContact O-N 2.95Å; N466-T470 PolarHBondContact O-OG1 2.62Å; T470-L472 VanDerWaalsContact C-N 3.31Å; T470-L472 PolarHBondContact O-N 3.06Å; T470-S473 WeakPolarHBondContact O-CB 3.48Å; T470-S473 PolarHBondContact O-N 3.01Å; T470-S473 VanDerWaalsContact O-N 3.17Å; T470-E474 WeakPolarHBondContact O-CG 3.33Å; T470-E474 PolarHBondContact O-N 2.95Å
471W86.5Confident75.2Confident50 Ų5083.7 Ų83.719%0.18946%0.462CS..Hα-helixtrans-63.5-32.6177.4-70.9-23.8000113.8E393 D394 L407 K467 Y468 A475E393-W471 HydrophobicContact CB-CH2 3.74Å; E393-W471 HydrophobicContact CB-CZ3 3.96Å; E393-W471 WeakPolarHBondContact O-CZ3 3.49Å; D394-W471 HydrophobicContact CB-CD2 3.85Å; D394-W471 HydrophobicContact CB-CE3 4.09Å; D394-W471 HydrophobicContact CB-CG 4.34Å; D394-W471 HydrophobicContact CB-CH2 4.07Å; D394-W471 HydrophobicContact CB-CZ2 3.89Å; D394-W471 HydrophobicContact CB-CZ3 4.2Å; L407-W471 HydrophobicContact CD1-CB 4.17Å; L407-W471 HydrophobicContact CD2-CB 3.96Å; L407-W471 HydrophobicContact CD2-CE3 4.24Å; K467-W471 HydrophobicContact CD-CH2 4.27Å; K467-W471 HydrophobicContact CD-CZ3 4.42Å; K467-W471 HydrophobicContact CG-CE3 4.47Å; K467-W471 HydrophobicContact CG-CH2 4.29Å; K467-W471 HydrophobicContact CG-CZ2 4.34Å; K467-W471 HydrophobicContact CG-CZ3 4.32Å; K467-W471 PolarHBondContact O-N 2.97Å; Y468-W471 AromaticContact CD1-CE3 3.73Å; Y468-W471 HydrophobicContact CD1-CE3 3.73Å; Y468-W471 HydrophobicContact CD1-CZ3 4.08Å; Y468-W471 AromaticContact CE1-CE3 3.79Å; Y468-W471 HydrophobicContact CE1-CE3 3.79Å; Y468-W471 AromaticContact CE1-CZ3 3.68Å; Y468-W471 HydrophobicContact CE1-CZ3 3.68Å; Y468-W471 HydrophobicContact CG-CE3 4.39Å; Y468-W471 PolarHBondContact O-N 3.24Å; W471-A475 PolarHBondContact O-N 3.42Å; W471-A475 VanDerWaalsContact O-N 3.16Å
472L85.2Confident72.4Confident40 Ų4090.7 Ų90.721%0.20950%0.499CS..Hα-helixtrans-66.3-40.2174.7-17865000111.2R404 L407 Q408 L411 Y468 E469 T470 A475R404-L472 HydrophobicContact CB-CD1 4.39Å; R404-L472 HydrophobicContact CG-CD1 3.7Å; L407-L472 HydrophobicContact CB-CB 4.34Å; L407-L472 HydrophobicContact CB-CD1 4Å; Q408-L472 HydrophobicContact CG-CD1 3.85Å; Q408-L472 HydrophobicContact CG-CD2 3.87Å; L411-L472 HydrophobicContact CD1-CB 4.32Å; L411-L472 HydrophobicContact CD1-CD2 3.68Å; Y468-L472 WeakPolarHBondContact O-CB 3.37Å; Y468-L472 PolarHBondContact O-N 3.45Å; E469-L472 PolarHBondContact O-N 3.21Å; T470-L472 VanDerWaalsContact C-N 3.31Å; T470-L472 PolarHBondContact O-N 3.06Å; L472-A475 PolarHBondContact O-N 3.38Å
473S82.7Confident69.3Low77 Ų7795 Ų9554%0.53852%0.515SS..Hα-helixtrans-67-45.8176.4-63.10000111.6E469 T470 A475 G476 V477E469-S473 PolarHBondContact O-N 3.06Å; E469-S473 PolarHBondContact O-OG 2.71Å; E469-S473 VanDerWaalsContact O-OG 3.1Å; T470-S473 WeakPolarHBondContact O-CB 3.48Å; T470-S473 PolarHBondContact O-N 3.01Å; T470-S473 VanDerWaalsContact O-N 3.17Å; S473-A475 PolarHBondContact O-N 3.47Å; S473-G476 PolarHBondContact O-N 3.17Å; S473-G476 VanDerWaalsContact O-N 3.08Å; S473-V477 WeakPolarHBondContact O-CG2 3.01Å
474E80.3Confident66.4Low114 Ų114103 Ų10353%0.53353%0.534SS..Hα-helixtrans-58.1-31.6174.9-72.8-179.8165.600113.3T470 G476T470-E474 WeakPolarHBondContact O-CG 3.33Å; T470-E474 PolarHBondContact O-N 2.95Å; E474-G476 PolarHBondContact O-N 3.43Å
475A67.8Low63.2Low21 Ų21111 Ų11117%0.17456%0.561CS.*THydrogen-bonded Turntrans-68.7-16.9178.500000114L407 W471 L472 S473L407-A475 HydrophobicContact CD1-CB 4.41Å; W471-A475 PolarHBondContact O-N 3.42Å; W471-A475 VanDerWaalsContact O-N 3.16Å; L472-A475 PolarHBondContact O-N 3.38Å; S473-A475 PolarHBondContact O-N 3.47Å
476G54.7Low60.1Low58 Ų58112.7 Ų112.760%0.59858%0.58SS**THydrogen-bonded Turntrans-91.2-20.8-177.200000116.2S473 E474 R478S473-G476 PolarHBondContact O-N 3.17Å; S473-G476 VanDerWaalsContact O-N 3.08Å; E474-G476 PolarHBondContact O-N 3.43Å; G476-R478 PolarHBondContact O-N 3.07Å
477V50.6Low57.1Low123 Ų123115.4 Ų115.475%0.74559%0.59SS**SBendtrans-98.938.3-161-160.60000113.6S473S473-V477 WeakPolarHBondContact O-CG2 3.01Å
478R46.1Very low53.9Low251 Ų251117.8 Ų117.895%0.94762%0.616SS**SBendtrans-137.632.8178.3-71.7-164.6170.9-138-2.3114.1G476G476-R478 PolarHBondContact O-N 3.07Å
479G39.5Very low50.8Low73 Ų73124.9 Ų124.975%0.75365%0.648SS**SBendtrans-112-39.2-168.400000118
480D34.8Very low47.7Very low154 Ų154127.8 Ų127.882%0.82467%0.667SS**SBendtrans-158.986.6-175-162.66.9000115.9
481T34.4Very low44.8Very low144 Ų144130.8 Ų130.888%0.88368%0.68SS**  trans-159.638.8162.5-23.90000114.7
482L35.2Very low42.4Very low154 Ų154135.4 Ų135.481%0.80671%0.708SS**  trans-152.778.2176.3-160.276.6000116.5
483R31.3Very low39.6Very low222 Ų222137 Ų13784%0.83873%0.734SS**  trans-179.7155.3131.5-97.5149.8-167.2-152.72.2112.8
484Y30.7Very low37Very low212 Ų212138.3 Ų138.383%0.83175%0.75SS**  trans67.5136.7-179.9-59.7-76.6000115.3
485R23.5Very low34.6Very low227 Ų227141.5 Ų141.586%0.85777%0.765SS**  cis-143.2138.4-2.5-163.5171.1-170.8141.70.1111
486A27.7Very low32.8Very low73 Ų73148.3 Ų148.360%0.60379%0.793SS**  trans-102.1149.5169.900000110.7
487H28.9Very low31.7Very low156 Ų156150.2 Ų150.272%0.72279%0.793SS**  trans53.2121.3167.2-51.8-65.8000119.1F489H487-F489 HydrophobicContact CB-CD2 4.49Å; H487-F489 HydrophobicContact CB-CE2 4.23Å; H487-F489 AromaticContact ND1-CE2 3.98Å
488S23.3Very low30.7Very low127 Ų127152.2 Ų152.289%0.88880%0.799SS**  trans-134.8136.9132.3-159.30000107.8
489F26.5Very low29.8Very low178 Ų178145.3 Ų145.378%0.78179%0.789SS**  trans-104.3135.4178.2-68.9-100.2000109.5H487H487-F489 HydrophobicContact CB-CD2 4.49Å; H487-F489 HydrophobicContact CB-CE2 4.23Å; H487-F489 AromaticContact ND1-CE2 3.98Å
490N24Very low30.6Very low164 Ų164146.8 Ų146.888%0.87779%0.785SS**  trans-155.4162.5135.2-156.417.7000110.6
491N28.2Very low30.2Very low129 Ų129147.1 Ų147.169%0.6979%0.787SS**  trans-145.5160.6-176.3-170.830.1000112.1
492N34.6Very low29.9Very low146 Ų146143.6 Ų143.678%0.78178%0.779SS**  trans66.7141.6-179.9-59.6-11.9000116.2
493G26.2Very low29.6Very low73 Ų73140.5 Ų140.575%0.75378%0.776SS**  cis158.8-166.4-9.900000114.4
494A28.7Very low29.4Very low106 Ų106139 Ų13988%0.87678%0.778SS**  trans93.4141.9164.600000120.8
495H30.3Very low29.4Very low180 Ų180134.7 Ų134.783%0.83378%0.779SS**  trans82.4108.7161.1-105.6-64.7000124.4
496E29.3Very low29.8Very low164 Ų164131.4 Ų131.477%0.76678%0.778SS**  trans-79.7172.4166.1177.5-165.4-109.500112.2
497V31.6Very low29.9Very low99 Ų99136.3 Ų136.360%0.679%0.789SS**  trans118.1105.4150-175.80000118.8
498L28.9Very low30.1Very low165 Ų165133.7 Ų133.786%0.86479%0.788SS**  trans73159.4145.4-67.6171.1000125.1
499S29.1Very low30.7Very low106 Ų106134.3 Ų134.374%0.74179%0.787SS**  trans-112.2-164.8-177.5-370000110.4
500P54.4Low31.1Very low104 Ų104131.3 Ų131.368%0.67579%0.785SS**  cis-136.3-158.3-2.941.7-20.4000114.8
501D27.1Very low31.6Very low160 Ų160127.7 Ų127.786%0.85677%0.766SS**  trans69.5140.1167.7-55.3-24000118.5
502G27.6Very low31.9Very low70 Ų70126.9 Ų126.972%0.72277%0.767SS**  cis175.4-174.1-5.500000113.6
503A29Very low32Very low90 Ų90123.8 Ų123.874%0.74476%0.757SS**  trans74.9107165.900000121.9
504H27.3Very low32.5Very low190 Ų190127.4 Ų127.488%0.8876%0.755SS**  trans45.2116.2136.1-50.3-67.4000123.4
505S31.1Very low32.7Very low122 Ų122126.8 Ų126.885%0.85375%0.75SS**  -163.3172.611057.30000111
506D32.2Very low33.2Very low157 Ų157125.1 Ų125.184%0.8475%0.746SS**  trans-60.8147.3177.2-69.3-75.8000113.4
507E28.8Very low33.6Very low177 Ų177126.7 Ų126.783%0.82775%0.746SS**  trans-147.9126.2150.6-171.873.211600108.3
508S33.8Very low33.8Very low101 Ų101126.2 Ų126.271%0.70675%0.752SS**PPolyproline II helixtrans-86.7127.8178.4-69.50000110.1P510S508-P510 WeakPolarHBondContact O-CD 3.39Å
509T36.7Very low33.9Very low139 Ų139126.9 Ų126.985%0.85375%0.751SS**PPolyproline II helixtrans-56.6116.6-178.349.80000112.1
510P34.3Very low33.9Very low116 Ų116131.1 Ų131.175%0.75376%0.756SS**PPolyproline II helixtrans-70.4137.7171.4-16.832.5000110.5S508S508-P510 WeakPolarHBondContact O-CD 3.39Å
511D34.3Very low33.1Very low88 Ų88133.1 Ų133.147%0.47176%0.761SS.*PPolyproline II helixtrans-69127.3172.4175.126.5000110.3S513 Q514D511-S513 PolarHBondContact O-N 3.29Å; D511-S513 PolarHBondContact OD1-N 2.98Å; D511-S513 PolarHBondContact OD1-OG 2.66Å; D511-S513 VanDerWaalsContact OD1-OG 3.11Å; D511-S513 WeakPolarHBondContact OD2-CB 3.46Å; D511-S513 PolarHBondContact OD2-OG 2.92Å; D511-Q514 PolarHBondContact O-N 2.97Å; D511-Q514 VanDerWaalsContact O-N 3.17Å
512P34.2Very low33.4Very low111 Ų111132.5 Ų132.572%0.72176%0.758SS**THydrogen-bonded Turntrans-54.3-18.5178.1-28.836.4000115.2Q514P512-Q514 VanDerWaalsContact C-N 3.28Å; P512-Q514 PolarHBondContact O-N 3.35Å
513S37.7Very low33.8Very low82 Ų82136.7 Ų136.757%0.57376%0.764SS**THydrogen-bonded Turntrans-63.5-26177.6-43.60000114.6D511D511-S513 PolarHBondContact O-N 3.29Å; D511-S513 PolarHBondContact OD1-N 2.98Å; D511-S513 PolarHBondContact OD1-OG 2.66Å; D511-S513 VanDerWaalsContact OD1-OG 3.11Å; D511-S513 WeakPolarHBondContact OD2-CB 3.46Å; D511-S513 PolarHBondContact OD2-OG 2.92Å
514Q36Very low34Very low148 Ų148140.7 Ų140.769%0.69277%0.765SS**SBendtrans-97.1-13.8-166.9-64.9-168.8-16.800115D511 P512 I516D511-Q514 PolarHBondContact O-N 2.97Å; D511-Q514 VanDerWaalsContact O-N 3.17Å; P512-Q514 VanDerWaalsContact C-N 3.28Å; P512-Q514 PolarHBondContact O-N 3.35Å; Q514-I516 PolarHBondContact O-N 3.47Å; Q514-I516 VanDerWaalsContact O-N 3.08Å
515A32.5Very low34.8Very low94 Ų94140 Ų14078%0.77776%0.762SS**THydrogen-bonded Turntrans-77.312.3-175.900000115.3
516I40.2Very low35.2Very low145 Ų145141.6 Ų141.674%0.74476%0.761SS**THydrogen-bonded Turntrans-114.6-12.1-177-62.7177.6000112.1Q514Q514-I516 PolarHBondContact O-N 3.47Å; Q514-I516 VanDerWaalsContact O-N 3.08Å
517Y38.6Very low35.7Very low197 Ų197143.3 Ų143.377%0.77376%0.764SS**SBendtrans-116.618-164.2-103.6-84.8000115.4
518A36.8Very low36.8Very low89 Ų89143.3 Ų143.374%0.73676%0.764SS**  trans-142.927.7-168.500000116.5
519E29.7Very low38Very low178 Ų178142.6 Ų142.683%0.83276%0.757SS**SBendtrans-131.3108162.2-72.1-167.3170.900110.3
520F29.9Very low39.5Very low195 Ų195140.2 Ų140.286%0.85574%0.742SS**  trans41.4111.4157.4-56.3-86.7000118
521D36.3Very low41.7Very low146 Ų146138.5 Ų138.578%0.78174%0.738SS**  cis69.7131.229.1-146.921.4000115.4
522D35.4Very low44.1Very low147 Ų147136.9 Ų136.979%0.78673%0.732SS**  trans42.477.1-175-82-24.3000118.4
523D34Very low46.8Very low158 Ų158134.8 Ų134.885%0.84571%0.714SS**  trans-137.271.9151.4-114.3-29.6000109.9
524F35.3Very low49.4Very low175 Ų175131 Ų13177%0.76869%0.687SS**  trans-12533.8164.1-153.7-91.5000109.9
525E42.7Very low52.2Low174 Ų174130.2 Ų130.281%0.81368%0.682SS**SBendtrans-81.9172.1159.6-59.6-152.8141.700109.7
526D40.9Very low55.2Low157 Ų157125.8 Ų125.884%0.8465%0.645SS**  trans-61.6140.8-169.9-62-78.4000112.9E528D526-E528 PolarHBondContact O-N 2.89Å
527E41.6Very low57.8Low193 Ų193121.9 Ų121.990%0.90263%0.628SS**  trans-60.695.2175.1-175.6177.5-131.700109.5P529E527-P529 WeakPolarHBondContact O-CD 3.49Å
528E52.4Low60.5Low176 Ų176112.7 Ų112.782%0.82259%0.593SS**  trans-58.6117.7-166.1-167.6-176.3-150.300109.6D526 V530D526-E528 PolarHBondContact O-N 2.89Å; E528-V530 PolarHBondContact O-N 3.21Å
529P58.8Low63.2Low86 Ų86112.4 Ų112.456%0.55858%0.578SS**  trans-71.496.7-161.425.6-34.9000110.4E527 A531 R573E527-P529 WeakPolarHBondContact O-CD 3.49Å; P529-A531 PolarHBondContact O-N 2.85Å; P529-R573 PolarHBondContact O-NH1 2.85Å
530V68.6Low66.2Low89 Ų89109.7 Ų109.754%0.53956%0.56SS.*  trans-20.6113.8-170.3-179.80000112.6E528 V561 R573E528-V530 PolarHBondContact O-N 3.21Å; V530-V561 HydrophobicContact CB-CG1 4.19Å; V530-V561 HydrophobicContact CG1-CG1 4.23Å; V530-R573 PolarHBondContact O-NH1 3.23Å; V530-R573 PolarHBondContact O-NH2 2.85Å
531A79.1Confident69.2Low81 Ų81104.9 Ų104.967%0.66954%0.544SS*.  trans-55127.8-173.300000110.9P529 I533P529-A531 PolarHBondContact O-N 2.85Å; A531-I533 PolarHBondContact O-N 3.07Å
532P85.7Confident71.9Confident54 Ų5499.3 Ų99.335%0.35151%0.513SS..  trans-68.5121.8-170.325.5-33.9000111.7G534 A559 V560 N592P532-G534 PolarHBondContact O-N 3.28Å; P532-G534 VanDerWaalsContact O-N 3.14Å; P532-A559 HydrophobicContact CB-CB 3.79Å; P532-A559 HydrophobicContact CG-CB 4.24Å; P532-V560 CarbonylContact C-O 3.5Å; P532-V560 VanDerWaalsContact C-O 3.32Å; P532-V560 WeakPolarHBondContact CA-O 3.43Å; P532-V560 VanDerWaalsContact CB-O 3.29Å; P532-V560 WeakPolarHBondContact CB-O 3.36Å; P532-N592 PolarHBondContact O-ND2 3.36Å
533I91.1Very high74.4Confident67 Ų6797.3 Ų97.334%0.34451%0.508SS..SBendtrans-66.7-10.8179.963.6171.2000113.3A531 V560 E563 L591 N592A531-I533 PolarHBondContact O-N 3.07Å; I533-V560 HydrophobicContact CD1-CG1 4.04Å; I533-V560 HydrophobicContact CG1-CB 4.28Å; I533-V560 HydrophobicContact CG1-CG1 3.81Å; I533-V560 WeakPolarHBondContact CG1-O 3.44Å; I533-V560 PolarHBondContact N-O 3.2Å; I533-E563 HydrophobicContact CD1-CB 4.06Å; I533-L591 HydrophobicContact CD1-CD2 4.19Å; I533-L591 HydrophobicContact CG1-CD2 4.13Å; I533-L591 WeakPolarHBondContact O-CA 3.29Å; I533-N592 PolarHBondContact O-N 3.07Å
534G91.9Very high76.8Confident1 Ų190.7 Ų90.71%0.0148%0.477CS..EExtended strand (participates in β ladder)trans-176.3-165.1176.400000113.8P532 V560 T590P532-G534 PolarHBondContact O-N 3.28Å; P532-G534 VanDerWaalsContact O-N 3.14Å; G534-V560 PolarHBondContact N-O 3.36Å; G534-V560 PolarHBondContact O-N 3.46Å; G534-T590 CarbonylContact C-O 3.59Å; G534-T590 VanDerWaalsContact CA-O 3.27Å; G534-T590 WeakPolarHBondContact CA-O 3.25Å
535K94.4Very high78.7Confident133 Ų13387 Ų8758%0.57848%0.479SS*.EExtended strand (participates in β ladder)trans-130.6151168.2-64.7-177.3-178179.60109.7V557 L558 T590K535-V557 HydrophobicContact CB-CG1 4.48Å; K535-L558 CarbonylContact C-O 3.57Å; K535-L558 VanDerWaalsContact CA-O 3.31Å; K535-L558 WeakPolarHBondContact CA-O 3.35Å; K535-T590 PolarHBondContact N-O 3.34Å; K535-T590 PolarHBondContact O-N 3.39Å
536C95.1Very high80.5Confident1 Ų181.6 Ų81.61%0.00746%0.46CS..EExtended strand (participates in β ladder)trans-131144172.7670000111.2V557 L558 V560 V587 T588 I589C536-V557 WeakPolarHBondContact O-CA 3.47Å; C536-L558 PolarHBondContact N-O 3.04Å; C536-L558 PolarHBondContact O-N 3.46Å; C536-V560 HydrophobicContact CB-CG2 3.7Å; C536-V587 HydrophobicContact CB-CB 3.98Å; C536-V587 HydrophobicContact CB-CG2 3.99Å; C536-T588 CarbonylContact C-O 3.43Å; C536-T588 WeakPolarHBondContact CA-O 3.39Å; C536-I589 HydrophobicContact CB-CG1 3.97Å
537T95.6Very high82.3Confident62 Ų6284 Ų8438%0.3847%0.466SS..EExtended strand (participates in β ladder)trans-108126.7174.1-53.10000109.3M539 E556 V557 V587 T588T537-M539 PolarHBondContact O-N 3.02Å; T537-E556 WeakPolarHBondContact CA-O 3.49Å; T537-V557 HydrophobicContact CG2-CG2 4.17Å; T537-V587 WeakPolarHBondContact O-CA 3.18Å; T537-T588 PolarHBondContact N-O 3.22Å; T537-T588 PolarHBondContact O-N 3.38Å
538A95.2Very high84.4Confident5 Ų577.2 Ų77.24%0.04145%0.449CS..EExtended strand (participates in β ladder)trans-65.7126.4177.800000112.1M552 Q553 G555 E556A538-M552 HydrophobicContact CB-CG 4.4Å; A538-M552 HydrophobicContact CB-SD 3.71Å; A538-Q553 WeakPolarHBondContact CB-O 3.5Å; A538-G555 PolarHBondContact O-N 3.21Å; A538-E556 HydrophobicContact CB-CB 4.41Å; A538-E556 PolarHBondContact N-O 2.97Å
539M93.9Very high86.2Confident83 Ų8370 Ų7041%0.40942%0.417SS..SBendtrans-90.2-20.8175.1-62.3-178.564.700112.5T537 E554 Y586 T588T537-M539 PolarHBondContact O-N 3.02Å; M539-E554 WeakPolarHBondContact O-CG 3.42Å; M539-Y586 WeakPolarHBondContact CB-O 3.3Å; M539-Y586 PolarHBondContact N-O 2.58Å; M539-T588 PolarHBondContact SD-OG1 2.71Å
540Y92.1Very high87.9Confident120 Ų12066.6 Ų66.647%0.47139%0.394SS..SBendtrans-146.8153.6-179.8-51.2-67.5000110.8Y586Y540-Y586 HydrophobicContact CD2-CD1 4.37Å; Y540-Y586 HydrophobicContact CD2-CD2 4.2Å; Y540-Y586 HydrophobicContact CD2-CG 4.05Å; Y540-Y586 HydrophobicContact CG-CD2 4.43Å
541N92.2Very high89Confident95 Ų9564.9 Ų64.951%0.50839%0.386SS..  trans-65.9137.7171.5-58-73.4000111.4M552 Q553 E554N541-M552 WeakPolarHBondContact CA-O 3.49Å; N541-Q553 VanDerWaalsContact OD1-CA 3.31Å; N541-Q553 WeakPolarHBondContact OD1-CA 3.25Å; N541-E554 PolarHBondContact OD1-N 2.72Å
542F93.4Very high89.7Confident28 Ų2861.2 Ų61.212%0.12336%0.355CS..BIsolated β-bridgetrans-135.9126.2175.2171.7-104.1000110.4G544 T549 I550 S551 M552 W569 I582 P583 Y586F542-G544 PolarHBondContact O-N 3.34Å; F542-T549 HydrophobicContact CZ-CG2 4.45Å; F542-I550 VanDerWaalsContact CD1-O 3.27Å; F542-I550 WeakPolarHBondContact CD1-O 3.18Å; F542-I550 WeakPolarHBondContact CE1-O 3.44Å; F542-S551 CarbonylContact O-C 3.54Å; F542-S551 VanDerWaalsContact O-CA 3.27Å; F542-S551 WeakPolarHBondContact O-CA 3.37Å; F542-M552 HydrophobicContact CB-CE 3.73Å; F542-M552 HydrophobicContact CB-CG 3.84Å; F542-M552 HydrophobicContact CG-CE 4.44Å; F542-M552 PolarHBondContact N-O 3.03Å; F542-M552 PolarHBondContact O-N 3.03Å; F542-W569 HydrophobicContact CZ-CH2 4.21Å; F542-W569 AromaticContact CZ-CZ3 3.96Å; F542-W569 HydrophobicContact CZ-CZ3 3.96Å; F542-I582 HydrophobicContact CD1-CG2 4.33Å; F542-P583 HydrophobicContact CD2-CG 3.78Å; F542-P583 HydrophobicContact CE2-CG 3.73Å; F542-P583 HydrophobicContact CG-CG 4.3Å; F542-P583 HydrophobicContact CZ-CG 4.2Å; F542-Y586 HydrophobicContact CB-CD2 4.27Å
543P88.1Confident90.1Very high105 Ų10565.3 Ų65.368%0.68237%0.369SS*.  trans-84.1-5.4-166.232.1-36.7000115.9A545 S551P543-A545 VanDerWaalsContact C-N 3.34Å; P543-A545 PolarHBondContact O-N 3.14Å; P543-S551 WeakPolarHBondContact O-CB 3.41Å
544G84.3Confident90.3Very high19 Ų1968.1 Ų68.120%0.19638%0.381CS..  trans60.735.1175.700000115.2F542 S546F542-G544 PolarHBondContact O-N 3.34Å; G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 3.49Å
545A75.8Confident90.2Very high99 Ų9970.4 Ų70.482%0.81840%0.404SS*.  trans-83.39-171.100000115.1P543P543-A545 VanDerWaalsContact C-N 3.34Å; P543-A545 PolarHBondContact O-N 3.14Å
546S80.6Confident90.2Very high60 Ų6066.2 Ų66.242%0.4239%0.387SS..SBendtrans-118.2146.2-178.325.20000111.2G544 G548 T549G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 3.49Å; S546-G548 PolarHBondContact O-N 2.82Å; S546-T549 PolarHBondContact N-OG1 3.42Å; S546-T549 PolarHBondContact O-N 3.24Å; S546-T549 PolarHBondContact O-OG1 3.4Å; S546-T549 VanDerWaalsContact OG-CG2 3.27Å; S546-T549 WeakPolarHBondContact OG-CG2 3.41Å; S546-T549 PolarHBondContact OG-OG1 3.29Å
547E79.3Confident90.2Very high206 Ų20670.4 Ų70.496%0.96341%0.412SS*.THydrogen-bonded Turntrans-55.1133.2174.8-169.4169.2-166.700110.8T549E547-T549 VanDerWaalsContact C-N 3.27Å; E547-T549 PolarHBondContact O-N 3.18Å
548G84.6Confident90.1Very high52 Ų5267.7 Ų67.754%0.53640%0.395SS..THydrogen-bonded Turntrans77-4.9-173.600000116.2S546 G580 Y581S546-G548 PolarHBondContact O-N 2.82Å; G548-G580 WeakPolarHBondContact O-CA 3.39Å; G548-Y581 PolarHBondContact O-N 2.9Å
549T91.1Very high90.1Very high25 Ų2568.7 Ų68.715%0.15340%0.403CS..BIsolated β-bridgetrans-100.6144.6176.765.80000112.5F542 S546 E547 W569 Y581F542-T549 HydrophobicContact CZ-CG2 4.45Å; S546-T549 PolarHBondContact N-OG1 3.42Å; S546-T549 PolarHBondContact O-N 3.24Å; S546-T549 PolarHBondContact O-OG1 3.4Å; S546-T549 VanDerWaalsContact OG-CG2 3.27Å; S546-T549 WeakPolarHBondContact OG-CG2 3.41Å; S546-T549 PolarHBondContact OG-OG1 3.29Å; E547-T549 VanDerWaalsContact C-N 3.27Å; E547-T549 PolarHBondContact O-N 3.18Å; T549-W569 HydrophobicContact CG2-CE3 4.41Å; T549-W569 HydrophobicContact CG2-CH2 4.17Å; T549-W569 HydrophobicContact CG2-CZ3 3.74Å; T549-Y581 VanDerWaalsContact CA-O 3.26Å; T549-Y581 WeakPolarHBondContact CA-O 3.36Å; T549-Y581 VanDerWaalsContact CB-O 3.31Å; T549-Y581 WeakPolarHBondContact CB-O 3.45Å
550I92.9Very high90.1Very high14 Ų1464.7 Ų64.77%0.07238%0.384CS..  trans-107.2143.7177.5-168.4169.8000110.4F542 V572 R574 D578 Y581 I582F542-I550 VanDerWaalsContact CD1-O 3.27Å; F542-I550 WeakPolarHBondContact CD1-O 3.18Å; F542-I550 WeakPolarHBondContact CE1-O 3.44Å; I550-V572 HydrophobicContact CG2-CG2 3.77Å; I550-R574 HydrophobicContact CD1-CG 4.11Å; I550-D578 HydrophobicContact CD1-CB 3.7Å; I550-Y581 PolarHBondContact N-O 3.43Å; I550-I582 HydrophobicContact CG2-CG2 3.63Å
551S93.4Very high90.2Very high53 Ų5359.6 Ų59.637%0.37137%0.365SS..  trans-77146.2175.359.90000111.1F542 P543 R574F542-S551 CarbonylContact O-C 3.54Å; F542-S551 VanDerWaalsContact O-CA 3.27Å; F542-S551 WeakPolarHBondContact O-CA 3.37Å; P543-S551 WeakPolarHBondContact O-CB 3.41Å; S551-R574 VanDerWaalsContact O-CZ 3.26Å; S551-R574 PolarHBondContact O-NH1 3.43Å; S551-R574 PolarHBondContact O-NH2 2.87Å
552M94.1Very high90.2Very high4 Ų457.9 Ų57.92%0.0235%0.354CS..BIsolated β-bridgetrans-143.4152.3175.360.5171.1-178.300112.2A538 N541 F542 E556 L558 I582 Y586 V587A538-M552 HydrophobicContact CB-CG 4.4Å; A538-M552 HydrophobicContact CB-SD 3.71Å; N541-M552 WeakPolarHBondContact CA-O 3.49Å; F542-M552 HydrophobicContact CB-CE 3.73Å; F542-M552 HydrophobicContact CB-CG 3.84Å; F542-M552 HydrophobicContact CG-CE 4.44Å; F542-M552 PolarHBondContact N-O 3.03Å; F542-M552 PolarHBondContact O-N 3.03Å; M552-E556 VanDerWaalsContact CA-OE2 3.25Å; M552-E556 WeakPolarHBondContact CA-OE2 3.41Å; M552-L558 HydrophobicContact CB-CD1 4.1Å; M552-L558 HydrophobicContact SD-CD1 4.45Å; M552-I582 HydrophobicContact CE-CB 4.1Å; M552-I582 HydrophobicContact CE-CD1 4.28Å; M552-I582 HydrophobicContact CE-CG2 4.44Å; M552-I582 HydrophobicContact CG-CG2 4.34Å; M552-I582 HydrophobicContact SD-CB 4.16Å; M552-I582 HydrophobicContact SD-CD1 3.68Å; M552-I582 HydrophobicContact SD-CG2 4.02Å; M552-Y586 HydrophobicContact CE-CD2 4.41Å; M552-Y586 HydrophobicContact CE-CG 4.45Å; M552-V587 HydrophobicContact CE-CG1 3.89Å; M552-V587 HydrophobicContact SD-CG1 3.82Å
553Q93.8Very high90.1Very high140 Ų14061.2 Ų61.265%0.65437%0.37SS*.  trans-104.9151.7176.3-64.4-178.937.700111.9A538 N541 G555 E556A538-Q553 WeakPolarHBondContact CB-O 3.5Å; N541-Q553 VanDerWaalsContact OD1-CA 3.31Å; N541-Q553 WeakPolarHBondContact OD1-CA 3.25Å; Q553-G555 PolarHBondContact O-N 2.96Å; Q553-E556 PolarHBondContact N-OE2 3.28Å; Q553-E556 WeakPolarHBondContact O-CB 3.48Å; Q553-E556 PolarHBondContact O-N 3.31Å
554E93.9Very high90.2Very high125 Ų12558.3 Ų58.358%0.58435%0.349SS*.THydrogen-bonded Turntrans-57.6128174.7-176.5174.4155.400111.2M539 N541M539-E554 WeakPolarHBondContact O-CG 3.42Å; N541-E554 PolarHBondContact OD1-N 2.72Å
555G90.6Very high90.4Very high49 Ų4965.4 Ų65.451%0.50537%0.374SS..THydrogen-bonded Turntrans85.5-6.1-172.200000115.7A538 Q553A538-G555 PolarHBondContact O-N 3.21Å; Q553-G555 PolarHBondContact O-N 2.96Å
556E94.7Very high90.7Very high46 Ų4664.3 Ų64.322%0.21537%0.373CS..  trans-66.6137.1175.7-169.9173.3177.300111.3T537 A538 M552 Q553 L558 R574T537-E556 WeakPolarHBondContact CA-O 3.49Å; A538-E556 HydrophobicContact CB-CB 4.41Å; A538-E556 PolarHBondContact N-O 2.97Å; M552-E556 VanDerWaalsContact CA-OE2 3.25Å; M552-E556 WeakPolarHBondContact CA-OE2 3.41Å; Q553-E556 PolarHBondContact N-OE2 3.28Å; Q553-E556 WeakPolarHBondContact O-CB 3.48Å; Q553-E556 PolarHBondContact O-N 3.31Å; E556-L558 HydrophobicContact CG-CD2 4.12Å; E556-L558 HydrophobicContact CG-CG 4.31Å; E556-R574 VanDerWaalsContact CD-NH2 3.29Å; E556-R574 IonicContact OE1-CZ 3.82Å; E556-R574 IonicContact OE1-NE 3.12Å; E556-R574 PolarHBondContact OE1-NE 3.48Å; E556-R574 IonicContact OE1-NH2 2.72Å; E556-R574 PolarHBondContact OE1-NH2 2.89Å; E556-R574 IonicContact OE2-NH2 2.81Å; E556-R574 PolarHBondContact OE2-NH2 3.26Å
557V94.4Very high90.9Very high88 Ų8866.5 Ų66.553%0.53338%0.379SS..EExtended strand (participates in β ladder)trans-108.5120.7179.3-177.70000109.6K535 C536 T537K535-V557 HydrophobicContact CB-CG1 4.48Å; C536-V557 WeakPolarHBondContact O-CA 3.47Å; T537-V557 HydrophobicContact CG2-CG2 4.17Å
558L94.5Very high91.4Very high6 Ų658.1 Ų58.13%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-118.6155-176.8-59.9173.4000110.6K535 C536 M552 E556 V572 R574 I582K535-L558 CarbonylContact C-O 3.57Å; K535-L558 VanDerWaalsContact CA-O 3.31Å; K535-L558 WeakPolarHBondContact CA-O 3.35Å; C536-L558 PolarHBondContact N-O 3.04Å; C536-L558 PolarHBondContact O-N 3.46Å; M552-L558 HydrophobicContact CB-CD1 4.1Å; M552-L558 HydrophobicContact SD-CD1 4.45Å; E556-L558 HydrophobicContact CG-CD2 4.12Å; E556-L558 HydrophobicContact CG-CG 4.31Å; L558-V572 HydrophobicContact CB-CB 4.11Å; L558-V572 HydrophobicContact CB-CG1 4.35Å; L558-V572 HydrophobicContact CD1-CB 4.39Å; L558-V572 HydrophobicContact CD1-CG2 3.94Å; L558-R574 HydrophobicContact CD2-CG 3.49Å; L558-R574 VanDerWaalsContact CD2-CG 3.49Å; L558-I582 HydrophobicContact CD1-CD1 4.22Å
559A94.8Very high91.9Very high25 Ų2560.1 Ų60.121%0.20734%0.34CS..EExtended strand (participates in β ladder)trans-87.1129.7174.400000109.2P532 V572 R573P532-A559 HydrophobicContact CB-CB 3.79Å; P532-A559 HydrophobicContact CG-CB 4.24Å; A559-V572 CarbonylContact O-C 3.57Å; A559-V572 WeakPolarHBondContact O-CA 3.32Å; A559-V572 WeakPolarHBondContact O-CB 3.48Å; A559-R573 PolarHBondContact N-O 2.7Å; A559-R573 PolarHBondContact O-N 2.67Å
560V94.1Very high92Very high0 Ų058.9 Ų58.90%033%0.333CS..EExtended strand (participates in β ladder)trans-85.1126.5178.3-179.80000108.8P532 I533 G534 C536 T570 V572 I589P532-V560 CarbonylContact C-O 3.5Å; P532-V560 VanDerWaalsContact C-O 3.32Å; P532-V560 WeakPolarHBondContact CA-O 3.43Å; P532-V560 VanDerWaalsContact CB-O 3.29Å; P532-V560 WeakPolarHBondContact CB-O 3.36Å; I533-V560 HydrophobicContact CD1-CG1 4.04Å; I533-V560 HydrophobicContact CG1-CB 4.28Å; I533-V560 HydrophobicContact CG1-CG1 3.81Å; I533-V560 WeakPolarHBondContact CG1-O 3.44Å; I533-V560 PolarHBondContact N-O 3.2Å; G534-V560 PolarHBondContact N-O 3.36Å; G534-V560 PolarHBondContact O-N 3.46Å; C536-V560 HydrophobicContact CB-CG2 3.7Å; V560-T570 HydrophobicContact CG1-CG2 3.76Å; V560-T570 HydrophobicContact CG2-CG2 4.26Å; V560-V572 HydrophobicContact CG2-CG1 4.44Å; V560-I589 HydrophobicContact CG2-CG2 4.34Å
561V93.3Very high92.1Very high12 Ų1262.4 Ų62.47%0.07335%0.345CS..EExtended strand (participates in β ladder)trans-100.3-39177.1-1770000110.4V530 R571 R573V530-V561 HydrophobicContact CB-CG1 4.19Å; V530-V561 HydrophobicContact CG1-CG1 4.23Å; V561-R571 HydrophobicContact CB-CB 4.5Å; V561-R571 HydrophobicContact CB-CG 4.28Å; V561-R571 PolarHBondContact N-O 2.91Å; V561-R573 HydrophobicContact CG2-CB 3.73Å
562E92Very high92.1Very high60 Ų6059.9 Ų59.928%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-142.8132.7-179.6-162.2173.5-162.600110.5K565 T570 R571E562-K565 WeakPolarHBondContact OE1-CE 3.33Å; E562-K565 IonicContact OE1-NZ 2.61Å; E562-K565 PolarHBondContact OE1-NZ 3.41Å; E562-T570 WeakPolarHBondContact O-CG2 3.5Å; E562-R571 HydrophobicContact CB-CB 3.64Å; E562-R571 PolarHBondContact N-O 3.1Å; E562-R571 PolarHBondContact O-N 2.8Å
563E91.1Very high92.2Very high97 Ų9761.2 Ų61.245%0.45333%0.332SS..  trans-83.6150.7178.5-175.7173.1-147.800111.5I533 K565I533-E563 HydrophobicContact CD1-CB 4.06Å; E563-K565 PolarHBondContact O-N 3.4Å
564D90.6Very high92.1Very high45 Ų4557 Ų5724%0.24131%0.31CS..  trans-55.7122.8174.2-169.2-26.7000112.3G566 D567 G568 W569 T584D564-G566 VanDerWaalsContact C-N 3.34Å; D564-G566 VanDerWaalsContact OD1-CA 3.32Å; D564-G566 WeakPolarHBondContact OD1-CA 3.22Å; D564-G566 PolarHBondContact OD1-N 3.1Å; D564-D567 PolarHBondContact OD1-N 3.16Å; D564-G568 PolarHBondContact OD1-N 3.47Å; D564-G568 VanDerWaalsContact OD2-C 3.26Å; D564-G568 WeakPolarHBondContact OD2-CA 3.5Å; D564-G568 PolarHBondContact OD2-N 3.42Å; D564-W569 WeakPolarHBondContact CA-O 3.39Å; D564-W569 PolarHBondContact OD2-N 2.94Å; D564-T584 HydrophobicContact CB-CG2 3.79Å; D564-T584 WeakPolarHBondContact CB-OG1 3.47Å; D564-T584 VanDerWaalsContact CG-OG1 3.31Å; D564-T584 WeakPolarHBondContact OD2-CB 3.49Å; D564-T584 WeakPolarHBondContact OD2-CG2 3.43Å; D564-T584 PolarHBondContact OD2-OG1 3.31Å
565K88.3Confident91.6Very high168 Ų16860.1 Ų60.173%0.7333%0.325SS*.  trans-96.113-179.9-62.2176.8-167.9165.10113E562 E563E562-K565 WeakPolarHBondContact OE1-CE 3.33Å; E562-K565 IonicContact OE1-NZ 2.61Å; E562-K565 PolarHBondContact OE1-NZ 3.41Å; E563-K565 PolarHBondContact O-N 3.4Å
566G82.8Confident91.3Very high76 Ų7662.1 Ų62.178%0.78432%0.323SS*.SBendtrans105.913.5-176.100000114.3D564D564-G566 VanDerWaalsContact C-N 3.34Å; D564-G566 VanDerWaalsContact OD1-CA 3.32Å; D564-G566 WeakPolarHBondContact OD1-CA 3.22Å; D564-G566 PolarHBondContact OD1-N 3.1Å
567D84.6Confident90.7Very high105 Ų10562.2 Ų62.256%0.56134%0.337SS*.SBendtrans-101.6-10.8178.674.6-19.8000113.5D564 W569D564-D567 PolarHBondContact OD1-N 3.16Å; D567-W569 PolarHBondContact OD1-N 3.17Å; D567-W569 VanDerWaalsContact OD1-N 3.12Å
568G90.7Very high90.3Very high31 Ų3161.8 Ų61.832%0.3233%0.332SS..SBendtrans93.66.4177.500000114.8D564 P583 T584D564-G568 PolarHBondContact OD1-N 3.47Å; D564-G568 VanDerWaalsContact OD2-C 3.26Å; D564-G568 WeakPolarHBondContact OD2-CA 3.5Å; D564-G568 PolarHBondContact OD2-N 3.42Å; G568-P583 WeakPolarHBondContact O-CA 3.42Å; G568-T584 VanDerWaalsContact C-OG1 3.23Å; G568-T584 PolarHBondContact O-N 3.08Å; G568-T584 PolarHBondContact O-OG1 2.96Å
569W94.2Very high90.2Very high93 Ų9364.8 Ų64.835%0.35235%0.346SS..EExtended strand (participates in β ladder)trans-123141.2-175.9-61.689.9000112.8F542 T549 D564 D567 Y581 I582 P583 T584F542-W569 HydrophobicContact CZ-CH2 4.21Å; F542-W569 AromaticContact CZ-CZ3 3.96Å; F542-W569 HydrophobicContact CZ-CZ3 3.96Å; T549-W569 HydrophobicContact CG2-CE3 4.41Å; T549-W569 HydrophobicContact CG2-CH2 4.17Å; T549-W569 HydrophobicContact CG2-CZ3 3.74Å; D564-W569 WeakPolarHBondContact CA-O 3.39Å; D564-W569 PolarHBondContact OD2-N 2.94Å; D567-W569 PolarHBondContact OD1-N 3.17Å; D567-W569 VanDerWaalsContact OD1-N 3.12Å; W569-Y581 HydrophobicContact CB-CD1 4.08Å; W569-I582 WeakPolarHBondContact CA-O 3.39Å; W569-I582 VanDerWaalsContact CE3-C 3.45Å; W569-P583 HydrophobicContact CE3-CG 4.42Å; W569-P583 HydrophobicContact CH2-CG 4.21Å; W569-P583 HydrophobicContact CZ3-CG 3.88Å; W569-T584 WeakPolarHBondContact CA-OG1 3.32Å; W569-T584 PolarHBondContact N-OG1 3.26Å
570T93.7Very high90.1Very high0 Ų063.9 Ų63.90%034%0.339CS..EExtended strand (participates in β ladder)trans-117.8132.9175.4-62.30000108.7V560 E562 V572 Y581 I582 T584 I589V560-T570 HydrophobicContact CG1-CG2 3.76Å; V560-T570 HydrophobicContact CG2-CG2 4.26Å; E562-T570 WeakPolarHBondContact O-CG2 3.5Å; T570-V572 HydrophobicContact CG2-CG1 4.02Å; T570-Y581 WeakPolarHBondContact O-CA 3.36Å; T570-I582 PolarHBondContact N-O 2.95Å; T570-I582 PolarHBondContact O-N 3.01Å; T570-T584 PolarHBondContact N-OG1 2.94Å; T570-T584 WeakPolarHBondContact OG1-CG2 3.3Å; T570-T584 PolarHBondContact OG1-OG1 2.96Å; T570-I589 HydrophobicContact CG2-CD1 3.98Å
571R94.9Very high90.2Very high88 Ų8867.9 Ų67.933%0.33235%0.354SS..EExtended strand (participates in β ladder)trans-86.6128.8175.1-169.3179.6166.7169.2-5.1109.5V561 E562 E579 Y581V561-R571 HydrophobicContact CB-CB 4.5Å; V561-R571 HydrophobicContact CB-CG 4.28Å; V561-R571 PolarHBondContact N-O 2.91Å; E562-R571 HydrophobicContact CB-CB 3.64Å; E562-R571 PolarHBondContact N-O 3.1Å; E562-R571 PolarHBondContact O-N 2.8Å; R571-E579 IonicContact CZ-OE2 2.66Å; R571-E579 IonicContact NE-OE2 2.62Å; R571-E579 PolarHBondContact NE-OE2 3.41Å; R571-E579 IonicContact NH2-OE2 3.84Å; R571-E579 PolarHBondContact NH2-OE2 2.87Å; R571-Y581 HydrophobicContact CB-CD1 4.03Å; R571-Y581 HydrophobicContact CB-CE1 3.66Å; R571-Y581 HydrophobicContact CG-CE1 4.18Å; R571-Y581 HydrophobicContact CG-CE2 4.48Å
572V94.2Very high90.3Very high0 Ų067.3 Ų67.30%035%0.351CS..EExtended strand (participates in β ladder)trans-132.9153.7-174.8-66.10000112.6I550 L558 A559 V560 T570 E579 G580 I582I550-V572 HydrophobicContact CG2-CG2 3.77Å; L558-V572 HydrophobicContact CB-CB 4.11Å; L558-V572 HydrophobicContact CB-CG1 4.35Å; L558-V572 HydrophobicContact CD1-CB 4.39Å; L558-V572 HydrophobicContact CD1-CG2 3.94Å; A559-V572 CarbonylContact O-C 3.57Å; A559-V572 WeakPolarHBondContact O-CA 3.32Å; A559-V572 WeakPolarHBondContact O-CB 3.48Å; V560-V572 HydrophobicContact CG2-CG1 4.44Å; T570-V572 HydrophobicContact CG2-CG1 4.02Å; V572-E579 VanDerWaalsContact O-CA 3.3Å; V572-E579 WeakPolarHBondContact O-CA 3.47Å; V572-G580 WeakPolarHBondContact CG2-O 3.09Å; V572-G580 PolarHBondContact N-O 3.32Å; V572-G580 PolarHBondContact O-N 3.28Å; V572-G580 VanDerWaalsContact O-N 3.07Å; V572-I582 HydrophobicContact CB-CD1 4.38Å; V572-I582 HydrophobicContact CG1-CD1 3.63Å; V572-I582 HydrophobicContact CG1-CG1 3.95Å; V572-I582 HydrophobicContact CG2-CD1 3.88Å; V572-I582 HydrophobicContact CG2-CG1 3.9Å; V572-I582 HydrophobicContact CG2-CG2 3.93Å
573R94.2Very high90.4Very high32 Ų3265.1 Ų65.112%0.12134%0.342CS..EExtended strand (participates in β ladder)trans-121.7136175.9-168.7-176.7-63.31363.8110.7P529 V530 A559 V561 D578 E579P529-R573 PolarHBondContact O-NH1 2.85Å; V530-R573 PolarHBondContact O-NH1 3.23Å; V530-R573 PolarHBondContact O-NH2 2.85Å; A559-R573 PolarHBondContact N-O 2.7Å; A559-R573 PolarHBondContact O-N 2.67Å; V561-R573 HydrophobicContact CG2-CB 3.73Å; R573-D578 CarbonylContact C-O 3.53Å; R573-D578 WeakPolarHBondContact CA-O 3.42Å; R573-E579 HydrophobicContact CB-CG 3.82Å; R573-E579 HydrophobicContact CG-CG 3.72Å; R573-E579 IonicContact CZ-OE1 2.58Å; R573-E579 IonicContact NE-OE1 2.74Å; R573-E579 PolarHBondContact NE-OE1 2.94Å; R573-E579 IonicContact NH2-OE1 3.19Å; R573-E579 PolarHBondContact NH2-OE1 3.29Å
574R92.4Very high90.6Very high50 Ų5061.9 Ų61.919%0.18933%0.329CS..  trans-85.9163.1169-85.8-171.6166.3124.94.6111.9I550 S551 E556 L558 N576 G577 D578I550-R574 HydrophobicContact CD1-CG 4.11Å; S551-R574 VanDerWaalsContact O-CZ 3.26Å; S551-R574 PolarHBondContact O-NH1 3.43Å; S551-R574 PolarHBondContact O-NH2 2.87Å; E556-R574 VanDerWaalsContact CD-NH2 3.29Å; E556-R574 IonicContact OE1-CZ 3.82Å; E556-R574 IonicContact OE1-NE 3.12Å; E556-R574 PolarHBondContact OE1-NE 3.48Å; E556-R574 IonicContact OE1-NH2 2.72Å; E556-R574 PolarHBondContact OE1-NH2 2.89Å; E556-R574 IonicContact OE2-NH2 2.81Å; E556-R574 PolarHBondContact OE2-NH2 3.26Å; L558-R574 HydrophobicContact CD2-CG 3.49Å; L558-R574 VanDerWaalsContact CD2-CG 3.49Å; R574-N576 WeakPolarHBondContact CB-OD1 3.47Å; R574-N576 PolarHBondContact O-N 2.91Å; R574-G577 PolarHBondContact O-N 3.41Å; R574-G577 VanDerWaalsContact O-N 3.11Å; R574-D578 HydrophobicContact CB-CB 4.29Å; R574-D578 PolarHBondContact N-O 3.5Å
575H84.6Confident90.7Very high192 Ų19264 Ų6489%0.88935%0.347SS*.THydrogen-bonded Turntrans-64.3-10.117877.374.2000114.8
576N83.1Confident91Very high90 Ų9060.4 Ų60.448%0.48133%0.33SS..THydrogen-bonded Turntrans-98.9-1.5177.968.2-25.1000113.1R574 D578R574-N576 WeakPolarHBondContact CB-OD1 3.47Å; R574-N576 PolarHBondContact O-N 2.91Å; N576-D578 PolarHBondContact ND2-OD2 2.93Å; N576-D578 PolarHBondContact OD1-N 3.45Å; N576-D578 PolarHBondContact OD1-OD2 3.06Å
577G81.9Confident91.6Very high48 Ų4857.4 Ų57.450%0.49530%0.296SS..SBendtrans98.3-11.1-17700000115R574 E579R574-G577 PolarHBondContact O-N 3.41Å; R574-G577 VanDerWaalsContact O-N 3.11Å; G577-E579 PolarHBondContact O-N 3.05Å
578D86.9Confident92.1Very high80 Ų8056.1 Ų56.143%0.42829%0.292SS..  trans-63127.8178.2-63.8-21.5000110.6I550 R573 R574 N576I550-D578 HydrophobicContact CD1-CB 3.7Å; R573-D578 CarbonylContact C-O 3.53Å; R573-D578 WeakPolarHBondContact CA-O 3.42Å; R574-D578 HydrophobicContact CB-CB 4.29Å; R574-D578 PolarHBondContact N-O 3.5Å; N576-D578 PolarHBondContact ND2-OD2 2.93Å; N576-D578 PolarHBondContact OD1-N 3.45Å; N576-D578 PolarHBondContact OD1-OD2 3.06Å
579E92.7Very high92.2Very high69 Ų6956.8 Ų56.832%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-115.1151.8173.2-76.3-165.3-152.800112.4R571 V572 R573 G577R571-E579 IonicContact CZ-OE2 2.66Å; R571-E579 IonicContact NE-OE2 2.62Å; R571-E579 PolarHBondContact NE-OE2 3.41Å; R571-E579 IonicContact NH2-OE2 3.84Å; R571-E579 PolarHBondContact NH2-OE2 2.87Å; V572-E579 VanDerWaalsContact O-CA 3.3Å; V572-E579 WeakPolarHBondContact O-CA 3.47Å; R573-E579 HydrophobicContact CB-CG 3.82Å; R573-E579 HydrophobicContact CG-CG 3.72Å; R573-E579 IonicContact CZ-OE1 2.58Å; R573-E579 IonicContact NE-OE1 2.74Å; R573-E579 PolarHBondContact NE-OE1 2.94Å; R573-E579 IonicContact NH2-OE1 3.19Å; R573-E579 PolarHBondContact NH2-OE1 3.29Å; G577-E579 PolarHBondContact O-N 3.05Å
580G91.9Very high92Very high6 Ų657 Ų576%0.06230%0.3CS..EExtended strand (participates in β ladder)trans179.7178.5168.900000112.8G548 V572G548-G580 WeakPolarHBondContact O-CA 3.39Å; V572-G580 WeakPolarHBondContact CG2-O 3.09Å; V572-G580 PolarHBondContact N-O 3.32Å; V572-G580 PolarHBondContact O-N 3.28Å; V572-G580 VanDerWaalsContact O-N 3.07Å
581Y95.4Very high91.8Very high84 Ų8460 Ų6033%0.32932%0.315SS..EExtended strand (participates in β ladder)trans-91.6143.1176.1-68.3-88.2000111.9G548 T549 I550 W569 T570 R571G548-Y581 PolarHBondContact O-N 2.9Å; T549-Y581 VanDerWaalsContact CA-O 3.26Å; T549-Y581 WeakPolarHBondContact CA-O 3.36Å; T549-Y581 VanDerWaalsContact CB-O 3.31Å; T549-Y581 WeakPolarHBondContact CB-O 3.45Å; I550-Y581 PolarHBondContact N-O 3.43Å; W569-Y581 HydrophobicContact CB-CD1 4.08Å; T570-Y581 WeakPolarHBondContact O-CA 3.36Å; R571-Y581 HydrophobicContact CB-CD1 4.03Å; R571-Y581 HydrophobicContact CB-CE1 3.66Å; R571-Y581 HydrophobicContact CG-CE1 4.18Å; R571-Y581 HydrophobicContact CG-CE2 4.48Å
582I95.6Very high91.1Very high0 Ų061.1 Ų61.10%033%0.328CS..EExtended strand (participates in β ladder)trans-131.3155.1172.358.3171.9000110.4F542 I550 M552 L558 W569 T570 V572 T584 V587F542-I582 HydrophobicContact CD1-CG2 4.33Å; I550-I582 HydrophobicContact CG2-CG2 3.63Å; M552-I582 HydrophobicContact CE-CB 4.1Å; M552-I582 HydrophobicContact CE-CD1 4.28Å; M552-I582 HydrophobicContact CE-CG2 4.44Å; M552-I582 HydrophobicContact CG-CG2 4.34Å; M552-I582 HydrophobicContact SD-CB 4.16Å; M552-I582 HydrophobicContact SD-CD1 3.68Å; M552-I582 HydrophobicContact SD-CG2 4.02Å; L558-I582 HydrophobicContact CD1-CD1 4.22Å; W569-I582 WeakPolarHBondContact CA-O 3.39Å; W569-I582 VanDerWaalsContact CE3-C 3.45Å; T570-I582 PolarHBondContact N-O 2.95Å; T570-I582 PolarHBondContact O-N 3.01Å; V572-I582 HydrophobicContact CB-CD1 4.38Å; V572-I582 HydrophobicContact CG1-CD1 3.63Å; V572-I582 HydrophobicContact CG1-CG1 3.95Å; V572-I582 HydrophobicContact CG2-CD1 3.88Å; V572-I582 HydrophobicContact CG2-CG1 3.9Å; V572-I582 HydrophobicContact CG2-CG2 3.93Å; I582-T584 PolarHBondContact O-N 3.06Å; I582-V587 HydrophobicContact CD1-CG1 3.45Å; I582-V587 VanDerWaalsContact CD1-CG1 3.45Å; I582-V587 HydrophobicContact CD1-CG2 4.43Å
583P94.9Very high89.2Confident14 Ų1474.2 Ų74.29%0.09139%0.385CS..EExtended strand (participates in β ladder)trans-66.9124.5176.9-1831.4000111.2F542 G568 W569 S585 Y586F542-P583 HydrophobicContact CD2-CG 3.78Å; F542-P583 HydrophobicContact CE2-CG 3.73Å; F542-P583 HydrophobicContact CG-CG 4.3Å; F542-P583 HydrophobicContact CZ-CG 4.2Å; G568-P583 WeakPolarHBondContact O-CA 3.42Å; W569-P583 HydrophobicContact CE3-CG 4.42Å; W569-P583 HydrophobicContact CH2-CG 4.21Å; W569-P583 HydrophobicContact CZ3-CG 3.88Å; P583-S585 PolarHBondContact O-N 2.76Å; P583-Y586 HydrophobicContact CB-CD1 3.89Å; P583-Y586 HydrophobicContact CB-CG 4.11Å; P583-Y586 HydrophobicContact CG-CD1 4.44Å; P583-Y586 HydrophobicContact CG-CG 4.38Å; P583-Y586 WeakPolarHBondContact O-CB 3.42Å; P583-Y586 PolarHBondContact O-N 3.13Å
584T94.9Very high89Confident28 Ų2876.4 Ų76.417%0.17240%0.398CS..G310 helixtrans-59.2-37.2-179.2-49.80000112.1D564 G568 W569 T570 I582 Y586 V587 I589D564-T584 HydrophobicContact CB-CG2 3.79Å; D564-T584 WeakPolarHBondContact CB-OG1 3.47Å; D564-T584 VanDerWaalsContact CG-OG1 3.31Å; D564-T584 WeakPolarHBondContact OD2-CB 3.49Å; D564-T584 WeakPolarHBondContact OD2-CG2 3.43Å; D564-T584 PolarHBondContact OD2-OG1 3.31Å; G568-T584 VanDerWaalsContact C-OG1 3.23Å; G568-T584 PolarHBondContact O-N 3.08Å; G568-T584 PolarHBondContact O-OG1 2.96Å; W569-T584 WeakPolarHBondContact CA-OG1 3.32Å; W569-T584 PolarHBondContact N-OG1 3.26Å; T570-T584 PolarHBondContact N-OG1 2.94Å; T570-T584 WeakPolarHBondContact OG1-CG2 3.3Å; T570-T584 PolarHBondContact OG1-OG1 2.96Å; I582-T584 PolarHBondContact O-N 3.06Å; T584-Y586 PolarHBondContact O-N 3.26Å; T584-Y586 VanDerWaalsContact O-N 3.11Å; T584-V587 WeakPolarHBondContact O-CG2 3.34Å; T584-V587 PolarHBondContact O-N 3.29Å; T584-I589 HydrophobicContact CG2-CD1 4.03Å
585S94Very high88.8Confident91 Ų9177.7 Ų77.764%0.63641%0.409SS*.G310 helixtrans-67.7-5.6177.155.60000114.6P583P583-S585 PolarHBondContact O-N 2.76Å
586Y94.4Very high89Confident92 Ų9271.4 Ų71.436%0.36138%0.382SS..G310 helixtrans-102.53177.7-78.544.1000112.6M539 Y540 F542 M552 P583 T584M539-Y586 WeakPolarHBondContact CB-O 3.3Å; M539-Y586 PolarHBondContact N-O 2.58Å; Y540-Y586 HydrophobicContact CD2-CD1 4.37Å; Y540-Y586 HydrophobicContact CD2-CD2 4.2Å; Y540-Y586 HydrophobicContact CD2-CG 4.05Å; Y540-Y586 HydrophobicContact CG-CD2 4.43Å; F542-Y586 HydrophobicContact CB-CD2 4.27Å; M552-Y586 HydrophobicContact CE-CD2 4.41Å; M552-Y586 HydrophobicContact CE-CG 4.45Å; P583-Y586 HydrophobicContact CB-CD1 3.89Å; P583-Y586 HydrophobicContact CB-CG 4.11Å; P583-Y586 HydrophobicContact CG-CD1 4.44Å; P583-Y586 HydrophobicContact CG-CG 4.38Å; P583-Y586 WeakPolarHBondContact O-CB 3.42Å; P583-Y586 PolarHBondContact O-N 3.13Å; T584-Y586 PolarHBondContact O-N 3.26Å; T584-Y586 VanDerWaalsContact O-N 3.11Å
587V94.6Very high89.4Confident12 Ų1270.3 Ų70.37%0.07338%0.377CS..EExtended strand (participates in β ladder)trans-134.8148.9-178.1-58.70000113.7C536 T537 M552 I582 T584 I589C536-V587 HydrophobicContact CB-CB 3.98Å; C536-V587 HydrophobicContact CB-CG2 3.99Å; T537-V587 WeakPolarHBondContact O-CA 3.18Å; M552-V587 HydrophobicContact CE-CG1 3.89Å; M552-V587 HydrophobicContact SD-CG1 3.82Å; I582-V587 HydrophobicContact CD1-CG1 3.45Å; I582-V587 VanDerWaalsContact CD1-CG1 3.45Å; I582-V587 HydrophobicContact CD1-CG2 4.43Å; T584-V587 WeakPolarHBondContact O-CG2 3.34Å; T584-V587 PolarHBondContact O-N 3.29Å; V587-I589 HydrophobicContact CG2-CD1 4.21Å; V587-I589 HydrophobicContact CG2-CG1 3.77Å
588T94.3Very high89.8Confident78 Ų7871.7 Ų71.748%0.47937%0.369SS..EExtended strand (participates in β ladder)trans-90.7113.2164.1-58.90000108.6C536 T537 M539C536-T588 CarbonylContact C-O 3.43Å; C536-T588 WeakPolarHBondContact CA-O 3.39Å; T537-T588 PolarHBondContact N-O 3.22Å; T537-T588 PolarHBondContact O-N 3.38Å; M539-T588 PolarHBondContact SD-OG1 2.71Å
589I92.7Very high90Very high46 Ų4671.1 Ų71.124%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-89.4137.8178.8-57.8-176.5000111.1C536 V560 T570 T584 V587 L591C536-I589 HydrophobicContact CB-CG1 3.97Å; V560-I589 HydrophobicContact CG2-CG2 4.34Å; T570-I589 HydrophobicContact CG2-CD1 3.98Å; T584-I589 HydrophobicContact CG2-CD1 4.03Å; V587-I589 HydrophobicContact CG2-CD1 4.21Å; V587-I589 HydrophobicContact CG2-CG1 3.77Å; I589-L591 HydrophobicContact CG2-CD2 3.79Å; I589-L591 HydrophobicContact CG2-CG 4.06Å
590T91.6Very high89.8Confident97 Ų9771.3 Ų71.360%0.59537%0.368SS*.EExtended strand (participates in β ladder)trans-127.6105.8167.2-570000108.7G534 K535G534-T590 CarbonylContact C-O 3.59Å; G534-T590 VanDerWaalsContact CA-O 3.27Å; G534-T590 WeakPolarHBondContact CA-O 3.25Å; K535-T590 PolarHBondContact N-O 3.34Å; K535-T590 PolarHBondContact O-N 3.39Å
591L88.8Confident89.7Confident64 Ų6476.3 Ų76.334%0.33539%0.392SS..EExtended strand (participates in β ladder)trans-78.3147.9176.2-60.8179.1000111.9I533 I589I533-L591 HydrophobicContact CD1-CD2 4.19Å; I533-L591 HydrophobicContact CG1-CD2 4.13Å; I533-L591 WeakPolarHBondContact O-CA 3.29Å; I589-L591 HydrophobicContact CG2-CD2 3.79Å; I589-L591 HydrophobicContact CG2-CG 4.06Å
592N80.3Confident89.2Confident111 Ų11175.7 Ų75.759%0.59440%0.397SS*.  trans-73.3134.5165.6-59-36.9000108.1P532 I533P532-N592 PolarHBondContact O-ND2 3.36Å; I533-N592 PolarHBondContact O-N 3.07Å
593K54.6Low88.6Confident275 Ų27582.5 Ų82.5100%1.19643%0.433SS*.  trans-117.80179.9-77-169.5174.8-174.80111.4

Retrieved 593 of 593 residues in 766.1 ms (Link to these results)

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