G4VDR4_SCHMA Loading...

Family C56 non-peptidase homologue (C56 family)

AlphaFold DB , UniProt , Accession G4VDR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 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
1M72.7Confident95.5Very high244 Ų24442.3 Ų42.3100%1.20223%0.233SC*.  0145.80-74.7-169.6-99.500108.1
2S90.8Very high95.8Very high81 Ų8140 Ų4057%0.56623%0.226SC*.  trans-67.6145.3170.241.60000109.9G29S2-G29 WeakPolarHBondContact CB-O 3.41Å
3A98.1Very high96Very high19 Ų1937.1 Ų37.116%0.15721%0.21CC..  trans-63153.2171.500000110.2V30 N31 D66 L167A3-V30 HydrophobicContact CB-CG1 4.48Å; A3-V30 HydrophobicContact CB-CG2 4.39Å; A3-V30 CarbonylContact O-C 3.57Å; A3-V30 WeakPolarHBondContact O-CA 3.32Å; A3-V30 WeakPolarHBondContact O-CG1 3.44Å; A3-N31 PolarHBondContact O-N 2.94Å; A3-D66 WeakPolarHBondContact CA-OD2 3.48Å; A3-D66 HydrophobicContact CB-CB 4.49Å; A3-L167 HydrophobicContact CB-CB 4.18Å; A3-L167 HydrophobicContact CB-CD1 4.48Å; A3-L167 HydrophobicContact CB-CD2 4.4Å
4S98.8Very high96.2Very high24 Ų2435.5 Ų35.517%0.16820%0.2CC..EExtended strand (participates in β ladder)trans-116.7142.3178.8600000111.3N31 D66 L67S4-N31 WeakPolarHBondContact CA-O 3.34Å; S4-D66 PolarHBondContact N-OD2 3.22Å; S4-D66 WeakPolarHBondContact O-CA 3.38Å; S4-D66 WeakPolarHBondContact O-CB 3.42Å; S4-D66 PolarHBondContact O-N 3.44Å; S4-D66 PolarHBondContact OG-N 3.33Å; S4-D66 PolarHBondContact OG-OD2 2.96Å; S4-L67 PolarHBondContact O-N 3.19Å
5A98.9Very high96.3Very high1 Ų133.8 Ų33.81%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-133.2137.9177.700000111.3L25 V30 N31 V32 T33 L67A5-L25 HydrophobicContact CB-CD1 4.02Å; A5-V30 HydrophobicContact CB-CG1 3.68Å; A5-N31 PolarHBondContact N-O 2.96Å; A5-V32 CarbonylContact O-C 3.55Å; A5-V32 WeakPolarHBondContact O-CA 3.31Å; A5-T33 PolarHBondContact O-N 3.28Å; A5-L67 CarbonylContact C-O 3.57Å; A5-L67 VanDerWaalsContact CA-O 3.32Å; A5-L67 WeakPolarHBondContact CA-O 3.44Å; A5-L67 HydrophobicContact CB-CB 4.15Å; A5-L67 HydrophobicContact CB-CD2 4.15Å; A5-L67 HydrophobicContact CB-CG 4.36Å
6L98.9Very high96.5Very high1 Ų137.6 Ų37.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-104.4118.7168.2174.864.7000108.7I8 T33 L57 V60 F65 L67 V68 V69 I89L6-I8 HydrophobicContact CD2-CG1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.29Å; L6-T33 CarbonylContact C-O 3.52Å; L6-T33 WeakPolarHBondContact CA-O 3.14Å; L6-T33 HydrophobicContact CD1-CG2 4.23Å; L6-L57 HydrophobicContact CD1-CD1 4.16Å; L6-L57 HydrophobicContact CD2-CD1 3.93Å; L6-L57 HydrophobicContact CG-CD1 4.42Å; L6-V60 HydrophobicContact CD1-CG2 4.02Å; L6-F65 HydrophobicContact CB-CB 4.25Å; L6-F65 HydrophobicContact CB-CD1 3.96Å; L6-F65 HydrophobicContact CB-CD2 3.64Å; L6-F65 HydrophobicContact CB-CE1 4.18Å; L6-F65 HydrophobicContact CB-CE2 3.89Å; L6-F65 HydrophobicContact CB-CG 3.68Å; L6-F65 HydrophobicContact CB-CZ 4.15Å; L6-F65 HydrophobicContact CD1-CE2 4.33Å; L6-F65 HydrophobicContact CD1-CZ 4.29Å; L6-F65 HydrophobicContact CD2-CD2 4.06Å; L6-F65 HydrophobicContact CD2-CE2 3.96Å; L6-F65 HydrophobicContact CG-CD2 4.4Å; L6-F65 HydrophobicContact CG-CE2 4.29Å; L6-L67 PolarHBondContact N-O 3.25Å; L6-V68 HydrophobicContact CB-CG2 4.46Å; L6-V68 HydrophobicContact CD2-CG2 4.47Å; L6-V68 CarbonylContact O-C 3.5Å; L6-V68 WeakPolarHBondContact O-CA 3.46Å; L6-V69 PolarHBondContact O-N 2.69Å; L6-I89 HydrophobicContact CD2-CG2 4.13Å
7L98.9Very high96.6Very high4 Ų435.4 Ų35.42%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-98119.2166.3-173.1144.5000108.6L9 A18 V21 A22 T33 V34 G35 V69 P71L7-L9 HydrophobicContact CD2-CB 4.18Å; L7-L9 PolarHBondContact O-N 3.3Å; L7-A18 WeakPolarHBondContact CD1-O 3.44Å; L7-A18 HydrophobicContact CD2-CB 4.31Å; L7-V21 HydrophobicContact CD1-CB 4.34Å; L7-A22 HydrophobicContact CD1-CB 4.24Å; L7-T33 PolarHBondContact N-O 3.33Å; L7-V34 HydrophobicContact CD2-CG1 4.1Å; L7-V34 WeakPolarHBondContact O-CA 3.45Å; L7-G35 PolarHBondContact O-N 3.12Å; L7-V69 HydrophobicContact CB-CB 4.5Å; L7-V69 HydrophobicContact CD1-CG1 4.33Å; L7-V69 HydrophobicContact CG-CB 4.43Å; L7-P71 HydrophobicContact CD2-CG 4.28Å
8I98.9Very high96.7Very high0 Ų033.6 Ų33.60%019%0.187CC..EExtended strand (participates in β ladder)trans-82.9109.9177.3-56-179.3000107.9L6 L57 V68 V69 M70 P71 M80 V86L6-I8 HydrophobicContact CD2-CG1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.29Å; I8-L57 HydrophobicContact CD1-CD1 4.46Å; I8-L57 HydrophobicContact CG1-CD1 3.99Å; I8-L57 HydrophobicContact CG2-CD1 4.41Å; I8-L57 HydrophobicContact CG2-CD2 3.87Å; I8-V68 HydrophobicContact CD1-CG1 3.74Å; I8-V68 HydrophobicContact CG1-CG1 4.09Å; I8-V69 PolarHBondContact N-O 2.96Å; I8-M70 HydrophobicContact CD1-CG 4.3Å; I8-P71 WeakPolarHBondContact O-CD 3.33Å; I8-M80 HydrophobicContact CB-SD 4.04Å; I8-M80 HydrophobicContact CG2-CG 4.14Å; I8-M80 HydrophobicContact CG2-SD 3.79Å; I8-V86 HydrophobicContact CD1-CG1 4.15Å; I8-V86 HydrophobicContact CD1-CG2 4.36Å; I8-V86 HydrophobicContact CG2-CG2 4.32Å
9L98.8Very high96.8Very high5 Ų535.8 Ų35.83%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-99.3133.6177.7-174.369.5000109.2L7 A13 A18 V34 G35 G36 L37 L43 I51 P53L7-L9 HydrophobicContact CD2-CB 4.18Å; L7-L9 PolarHBondContact O-N 3.3Å; L9-A13 HydrophobicContact CD1-CB 4.04Å; L9-A18 HydrophobicContact CD1-CB 4.18Å; L9-V34 HydrophobicContact CB-CG1 3.69Å; L9-V34 HydrophobicContact CD2-CG1 3.91Å; L9-V34 HydrophobicContact CG-CG1 4.38Å; L9-G35 PolarHBondContact N-O 3.22Å; L9-G36 CarbonylContact O-C 3.52Å; L9-G36 WeakPolarHBondContact O-CA 3.47Å; L9-L37 WeakPolarHBondContact O-CB 3.31Å; L9-L37 PolarHBondContact O-N 3.06Å; L9-L43 HydrophobicContact CB-CD1 4.4Å; L9-L43 HydrophobicContact CD2-CB 4.44Å; L9-L43 HydrophobicContact CD2-CD1 4.06Å; L9-L43 HydrophobicContact CG-CD1 3.97Å; L9-I51 HydrophobicContact CD1-CD1 4.48Å; L9-I51 HydrophobicContact CD2-CB 3.91Å; L9-I51 HydrophobicContact CD2-CG2 3.61Å; L9-P53 HydrophobicContact CD2-CB 4.29Å
10S98.4Very high96.9Very high1 Ų134.8 Ų34.81%0.00720%0.196CC..  trans-128.9154.8175174.90000109.9G12 A13 Q38 A79S10-G12 PolarHBondContact O-N 3.42Å; S10-A13 WeakPolarHBondContact O-CB 3.33Å; S10-A13 PolarHBondContact O-N 3.15Å; S10-Q38 VanDerWaalsContact CA-OE1 3.29Å; S10-Q38 PolarHBondContact OG-NE2 3.03Å; S10-Q38 PolarHBondContact OG-OE1 2.82Å; S10-A79 WeakPolarHBondContact OG-CB 3.32Å
11E97.9Very high97Very high85 Ų8533.1 Ų33.140%0.39719%0.186SC..THydrogen-bonded Turntrans-48.3133.2160.7-166.573.9-175.500109.8A13 L43 K44 G75 G76E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.72Å; E11-L43 VanDerWaalsContact OE2-CA 3.31Å; E11-L43 WeakPolarHBondContact OE2-CA 3.41Å; E11-K44 WeakPolarHBondContact OE1-CB 3.28Å; E11-K44 PolarHBondContact OE2-N 3.34Å; E11-G75 CarbonylContact O-C 3.49Å; E11-G76 WeakPolarHBondContact O-CA 3.12Å; E11-G76 PolarHBondContact O-N 2.81Å
12G98.4Very high98.3Very high15 Ų1522.4 Ų22.416%0.15514%0.137CC..THydrogen-bonded Turntrans74.513.5-177.400000115.5S10 K44 G73 G76S10-G12 PolarHBondContact O-N 3.42Å; G12-K44 PolarHBondContact N-O 3.28Å; G12-G73 CarbonylContact O-C 3.44Å; G12-G76 PolarHBondContact O-N 2.93Å; G12-G76 VanDerWaalsContact O-N 3.14Å
13A98.6Very high98.7Very high2 Ų221.5 Ų21.52%0.01713%0.125CC..  trans-68.1150.7169.900000111.7L9 S10 E11 E15 G45 S46 P71 G72L9-A13 HydrophobicContact CD1-CB 4.04Å; S10-A13 WeakPolarHBondContact O-CB 3.33Å; S10-A13 PolarHBondContact O-N 3.15Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.72Å; A13-E15 PolarHBondContact O-N 3.29Å; A13-G45 CarbonylContact O-C 3.56Å; A13-G45 VanDerWaalsContact O-CA 3.24Å; A13-G45 WeakPolarHBondContact O-CA 3.38Å; A13-S46 PolarHBondContact O-N 3.24Å; A13-P71 HydrophobicContact CB-CG 4.23Å; A13-G72 CarbonylContact C-O 3.55Å; A13-G72 WeakPolarHBondContact CA-O 3.49Å
14E98.7Very high98.7Very high15 Ų1520.6 Ų20.67%0.0712%0.118CC..  trans-76.1121.4175.6-151-67.7152.500110.4I16 E17 A18 G72 P153E14-I16 WeakPolarHBondContact OE2-CA 3.36Å; E14-I16 WeakPolarHBondContact OE2-CB 3.34Å; E14-I16 PolarHBondContact OE2-N 3Å; E14-E17 HydrophobicContact CB-CB 4.29Å; E14-E17 HydrophobicContact CB-CG 4.23Å; E14-E17 HydrophobicContact CG-CG 4.37Å; E14-E17 WeakPolarHBondContact OE2-CB 3.11Å; E14-E17 VanDerWaalsContact OE2-CG 3.31Å; E14-E17 WeakPolarHBondContact OE2-CG 3.49Å; E14-E17 PolarHBondContact OE2-N 3.4Å; E14-A18 WeakPolarHBondContact O-CB 3.19Å; E14-A18 PolarHBondContact O-N 2.9Å; E14-G72 PolarHBondContact N-O 3.33Å; E14-P153 HydrophobicContact CG-CG 3.97Å
15E98.6Very high98.7Very high10 Ų1019.6 Ų19.65%0.04711%0.11CC..Hα-helixtrans-78.6-33.2-165.3-54.5104.5122.200113.3A13 V19 G45 S46 N47 G48 V49 I51A13-E15 PolarHBondContact O-N 3.29Å; E15-V19 VanDerWaalsContact O-CB 3.27Å; E15-V19 WeakPolarHBondContact O-CB 3.21Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3.46Å; E15-V19 PolarHBondContact O-N 2.78Å; E15-G45 VanDerWaalsContact CD-C 3.48Å; E15-G45 VanDerWaalsContact CD-CA 3.43Å; E15-G45 VanDerWaalsContact OE1-CA 3.3Å; E15-G45 WeakPolarHBondContact OE1-CA 3.42Å; E15-S46 VanDerWaalsContact CD-N 3.33Å; E15-S46 PolarHBondContact OE1-N 3.48Å; E15-S46 PolarHBondContact OE2-N 2.95Å; E15-S46 VanDerWaalsContact OE2-N 3.12Å; E15-S46 PolarHBondContact OE2-OG 2.85Å; E15-N47 WeakPolarHBondContact OE1-CA 3.37Å; E15-N47 PolarHBondContact OE1-N 3.04Å; E15-N47 PolarHBondContact OE2-N 3.01Å; E15-N47 PolarHBondContact OE2-ND2 2.97Å; E15-G48 PolarHBondContact OE1-N 3.43Å; E15-G48 VanDerWaalsContact OE1-N 3.12Å; E15-V49 HydrophobicContact CB-CB 4.14Å; E15-V49 HydrophobicContact CG-CB 3.81Å; E15-V49 HydrophobicContact CG-CG1 4.47Å; E15-V49 WeakPolarHBondContact OE1-CB 3.5Å; E15-V49 PolarHBondContact OE1-N 2.95Å; E15-I51 HydrophobicContact CB-CD1 4.2Å; E15-I51 HydrophobicContact CG-CD1 4.18Å
16I98.6Very high98.7Very high94 Ų9422.2 Ų22.248%0.48213%0.132SC..Hα-helixtrans-63.6-46.5174.8-68.2173.9000109.2E14 T20 P153E14-I16 WeakPolarHBondContact OE2-CA 3.36Å; E14-I16 WeakPolarHBondContact OE2-CB 3.34Å; E14-I16 PolarHBondContact OE2-N 3Å; I16-T20 WeakPolarHBondContact O-CB 3.39Å; I16-T20 PolarHBondContact O-N 3.14Å; I16-T20 PolarHBondContact O-OG1 3.48Å; I16-P153 HydrophobicContact CB-CB 4.28Å; I16-P153 HydrophobicContact CD1-CB 4.47Å; I16-P153 HydrophobicContact CG2-CB 4.1Å
17E98.9Very high98.6Very high0 Ų028.5 Ų28.50%016%0.156CC..Hα-helixtrans-62.3-49.8178.7-67.7172.5-161.200110.9E14 V21 P71 G72 I103 C104 P153 A156E14-E17 HydrophobicContact CB-CB 4.29Å; E14-E17 HydrophobicContact CB-CG 4.23Å; E14-E17 HydrophobicContact CG-CG 4.37Å; E14-E17 WeakPolarHBondContact OE2-CB 3.11Å; E14-E17 VanDerWaalsContact OE2-CG 3.31Å; E14-E17 WeakPolarHBondContact OE2-CG 3.49Å; E14-E17 PolarHBondContact OE2-N 3.4Å; E17-V21 VanDerWaalsContact O-CG2 3.25Å; E17-V21 WeakPolarHBondContact O-CG2 3.44Å; E17-V21 PolarHBondContact O-N 2.88Å; E17-P71 HydrophobicContact CB-CB 4.19Å; E17-G72 WeakPolarHBondContact OE2-CA 3.39Å; E17-G72 PolarHBondContact OE2-N 3.02Å; E17-I103 HydrophobicContact CB-CG2 4.12Å; E17-I103 HydrophobicContact CG-CD1 4.13Å; E17-I103 HydrophobicContact CG-CG1 4.36Å; E17-I103 HydrophobicContact CG-CG2 4.3Å; E17-I103 WeakPolarHBondContact OE2-CG2 3.32Å; E17-C104 VanDerWaalsContact CD-CB 3.48Å; E17-C104 WeakPolarHBondContact OE1-CB 3.06Å; E17-C104 PolarHBondContact OE1-SG 3.05Å; E17-C104 VanDerWaalsContact OE2-CB 3.23Å; E17-C104 WeakPolarHBondContact OE2-CB 3.31Å; E17-P153 HydrophobicContact CG-CB 4.45Å; E17-P153 HydrophobicContact CG-CG 4.29Å; E17-P153 WeakPolarHBondContact OE1-CD 3.25Å; E17-P153 WeakPolarHBondContact OE1-CG 3.39Å; E17-A156 HydrophobicContact CG-CB 4.44Å
18A98.8Very high98.6Very high4 Ų428.7 Ų28.73%0.03316%0.158CC..Hα-helixtrans-63.3-51.3-178.900000112.3L7 L9 E14 A22 P71L7-A18 WeakPolarHBondContact CD1-O 3.44Å; L7-A18 HydrophobicContact CD2-CB 4.31Å; L9-A18 HydrophobicContact CD1-CB 4.18Å; E14-A18 WeakPolarHBondContact O-CB 3.19Å; E14-A18 PolarHBondContact O-N 2.9Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.32Å; A18-A22 VanDerWaalsContact O-N 3.1Å; A18-P71 HydrophobicContact CB-CB 3.92Å; A18-P71 HydrophobicContact CB-CG 4.01Å
19V98.7Very high98.6Very high75 Ų7530.8 Ų30.846%0.45518%0.18SC..Hα-helixtrans-69.8-42.8-176175.60000111E15 V21 A22 D23 I51E15-V19 VanDerWaalsContact O-CB 3.27Å; E15-V19 WeakPolarHBondContact O-CB 3.21Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3.46Å; E15-V19 PolarHBondContact O-N 2.78Å; V19-V21 VanDerWaalsContact C-N 3.34Å; V19-V21 PolarHBondContact O-N 3.14Å; V19-A22 PolarHBondContact O-N 3.36Å; V19-D23 VanDerWaalsContact O-CB 3.24Å; V19-D23 WeakPolarHBondContact O-CB 3.48Å; V19-D23 PolarHBondContact O-N 3.33Å; V19-I51 HydrophobicContact CG2-CD1 3.81Å
20T98.8Very high98.6Very high16 Ų1630.9 Ų30.910%0.09818%0.181CC..Hα-helixtrans-59.2-46.8179.6-61.80000111I16 V24 A156 F157I16-T20 WeakPolarHBondContact O-CB 3.39Å; I16-T20 PolarHBondContact O-N 3.14Å; I16-T20 PolarHBondContact O-OG1 3.48Å; T20-V24 HydrophobicContact CG2-CG2 4.28Å; T20-V24 VanDerWaalsContact O-CB 3.32Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 3.44Å; T20-A156 HydrophobicContact CG2-CB 3.98Å; T20-F157 HydrophobicContact CG2-CD1 3.63Å; T20-F157 HydrophobicContact CG2-CD2 3.98Å; T20-F157 HydrophobicContact CG2-CE1 3.69Å; T20-F157 HydrophobicContact CG2-CE2 4.03Å; T20-F157 HydrophobicContact CG2-CG 3.78Å; T20-F157 HydrophobicContact CG2-CZ 3.88Å
21V98.8Very high98.6Very high0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-67.8-45.5-178.7178.60000111.2L7 E17 V19 D23 L25 V69 F159 A160 L163L7-V21 HydrophobicContact CD1-CB 4.34Å; E17-V21 VanDerWaalsContact O-CG2 3.25Å; E17-V21 WeakPolarHBondContact O-CG2 3.44Å; E17-V21 PolarHBondContact O-N 2.88Å; V19-V21 VanDerWaalsContact C-N 3.34Å; V19-V21 PolarHBondContact O-N 3.14Å; V21-D23 PolarHBondContact O-N 3.07Å; V21-L25 HydrophobicContact CG1-CD1 3.67Å; V21-L25 HydrophobicContact CG1-CG 4.24Å; V21-L25 WeakPolarHBondContact O-CB 3.43Å; V21-L25 VanDerWaalsContact O-CG 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.38Å; V21-L25 VanDerWaalsContact O-N 3.08Å; V21-V69 HydrophobicContact CG1-CG1 3.84Å; V21-V69 HydrophobicContact CG1-CG2 4.19Å; V21-F159 HydrophobicContact CG2-CD1 3.6Å; V21-F159 HydrophobicContact CG2-CE1 3.85Å; V21-A160 HydrophobicContact CB-CB 4.49Å; V21-A160 HydrophobicContact CG2-CB 4.13Å; V21-L163 HydrophobicContact CG1-CD1 3.93Å
22A98.8Very high98.6Very high19 Ų1932.8 Ų32.816%0.15719%0.194CC..Hα-helixtrans-60.1-47.4178.300000112.3L7 A18 V19 A26 V32L7-A22 HydrophobicContact CD1-CB 4.24Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.32Å; A18-A22 VanDerWaalsContact O-N 3.1Å; V19-A22 PolarHBondContact O-N 3.36Å; A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 3.41Å; A22-V32 HydrophobicContact CB-CG1 4.18Å
23D98.7Very high98.6Very high62 Ų6233.3 Ų33.333%0.33219%0.194SC..Hα-helixtrans-63.5-51.3-179.3178-58.3000111.1V19 V21 L25 A26 R27V19-D23 VanDerWaalsContact O-CB 3.24Å; V19-D23 WeakPolarHBondContact O-CB 3.48Å; V19-D23 PolarHBondContact O-N 3.33Å; V21-D23 PolarHBondContact O-N 3.07Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3.17Å; D23-A26 WeakPolarHBondContact O-CB 3.41Å; D23-A26 PolarHBondContact O-N 2.94Å; D23-A26 VanDerWaalsContact O-N 3.12Å; D23-R27 WeakPolarHBondContact O-CG 3.38Å; D23-R27 PolarHBondContact O-N 2.81Å; D23-R27 VanDerWaalsContact OD1-CD 3.31Å; D23-R27 WeakPolarHBondContact OD1-CD 3.37Å; D23-R27 IonicContact OD1-CZ 3.05Å; D23-R27 IonicContact OD1-NE 3.53Å; D23-R27 PolarHBondContact OD1-NE 2.82Å; D23-R27 IonicContact OD1-NH2 3.75Å; D23-R27 IonicContact OD2-NE 2.82Å; D23-R27 IonicContact OD2-NH2 3.61Å; D23-R27 PolarHBondContact OD2-NH2 3.31Å
24V98.7Very high98.7Very high0 Ų034.1 Ų34.10%020%0.199CC..Hα-helixtrans-61.9-41.7-177.4169.40000111.6T20 R27 A28 F157 A160 M161 V164 M180T20-V24 HydrophobicContact CG2-CG2 4.28Å; T20-V24 VanDerWaalsContact O-CB 3.32Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 3.44Å; V24-R27 PolarHBondContact O-N 2.96Å; V24-A28 PolarHBondContact O-N 3.23Å; V24-A28 VanDerWaalsContact O-N 3.12Å; V24-F157 HydrophobicContact CG2-CD1 4.09Å; V24-F157 HydrophobicContact CG2-CE1 4.07Å; V24-A160 HydrophobicContact CB-CB 3.71Å; V24-A160 HydrophobicContact CG1-CB 3.67Å; V24-A160 HydrophobicContact CG2-CB 4.04Å; V24-M161 HydrophobicContact CG1-CE 3.87Å; V24-M161 HydrophobicContact CG1-SD 3.95Å; V24-M161 HydrophobicContact CG2-CE 4.3Å; V24-V164 HydrophobicContact CG1-CG2 3.8Å; V24-M180 HydrophobicContact CG2-CE 3.74Å; V24-M180 HydrophobicContact CG2-SD 4.1Å
25L98.8Very high98.7Very high2 Ų233.4 Ų33.41%0.0120%0.196CC..Hα-helixtrans-63.3-43.9175-71.7174.8000111.3A5 V21 D23 R27 A28 G29 V30 V32 L67 V69 L163 V164 L167A5-L25 HydrophobicContact CB-CD1 4.02Å; V21-L25 HydrophobicContact CG1-CD1 3.67Å; V21-L25 HydrophobicContact CG1-CG 4.24Å; V21-L25 WeakPolarHBondContact O-CB 3.43Å; V21-L25 VanDerWaalsContact O-CG 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.38Å; V21-L25 VanDerWaalsContact O-N 3.08Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3.17Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.12Å; L25-A28 WeakPolarHBondContact O-CA 3.28Å; L25-A28 VanDerWaalsContact O-CB 3.32Å; L25-A28 WeakPolarHBondContact O-CB 3.35Å; L25-A28 PolarHBondContact O-N 3.34Å; L25-G29 PolarHBondContact O-N 3.01Å; L25-V30 HydrophobicContact CB-CB 4.11Å; L25-V30 HydrophobicContact CB-CG1 4.42Å; L25-V30 HydrophobicContact CB-CG2 4.44Å; L25-V30 HydrophobicContact CD2-CG2 4.21Å; L25-V30 VanDerWaalsContact O-CB 3.28Å; L25-V30 WeakPolarHBondContact O-CB 3.45Å; L25-V30 PolarHBondContact O-N 2.95Å; L25-V30 VanDerWaalsContact O-N 3.09Å; L25-V32 HydrophobicContact CB-CG2 3.57Å; L25-L67 HydrophobicContact CD1-CD2 3.9Å; L25-L67 HydrophobicContact CD2-CD2 4.35Å; L25-V69 HydrophobicContact CD1-CG2 4.38Å; L25-L163 HydrophobicContact CD2-CB 4.01Å; L25-V164 HydrophobicContact CD2-CG2 4.03Å; L25-L167 HydrophobicContact CD2-CD1 4.21Å
26A98.5Very high98.7Very high56 Ų5633 Ų3346%0.46319%0.194SC..Hα-helixtrans-61.8-41.2177.100000112A22 D23 A28 G29 V32A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 3.41Å; D23-A26 WeakPolarHBondContact O-CB 3.41Å; D23-A26 PolarHBondContact O-N 2.94Å; D23-A26 VanDerWaalsContact O-N 3.12Å; A26-A28 PolarHBondContact O-N 2.95Å; A26-G29 PolarHBondContact O-N 3.15Å; A26-V32 HydrophobicContact CB-CG2 4.29Å
27R98.3Very high98.7Very high133 Ų13330 Ų3050%0.50218%0.179SC..Hα-helixtrans-61.5-28172.9-70-179.7-171.1-90.3-11.2113D23 V24 L25 G29 L176 M180D23-R27 WeakPolarHBondContact O-CG 3.38Å; D23-R27 PolarHBondContact O-N 2.81Å; D23-R27 VanDerWaalsContact OD1-CD 3.31Å; D23-R27 WeakPolarHBondContact OD1-CD 3.37Å; D23-R27 IonicContact OD1-CZ 3.05Å; D23-R27 IonicContact OD1-NE 3.53Å; D23-R27 PolarHBondContact OD1-NE 2.82Å; D23-R27 IonicContact OD1-NH2 3.75Å; D23-R27 IonicContact OD2-NE 2.82Å; D23-R27 IonicContact OD2-NH2 3.61Å; D23-R27 PolarHBondContact OD2-NH2 3.31Å; V24-R27 PolarHBondContact O-N 2.96Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.12Å; R27-G29 PolarHBondContact O-N 3.05Å; R27-L176 HydrophobicContact CB-CD1 4.26Å; R27-L176 HydrophobicContact CB-CD2 3.75Å; R27-M180 WeakPolarHBondContact CD-SD 3.31Å
28A98.2Very high98.6Very high9 Ų934.6 Ų34.67%0.07420%0.2CC..THydrogen-bonded Turntrans-74-9.3173.500000113.7V24 L25 A26 V30 V164 K172 L176V24-A28 PolarHBondContact O-N 3.23Å; V24-A28 VanDerWaalsContact O-N 3.12Å; L25-A28 WeakPolarHBondContact O-CA 3.28Å; L25-A28 VanDerWaalsContact O-CB 3.32Å; L25-A28 WeakPolarHBondContact O-CB 3.35Å; L25-A28 PolarHBondContact O-N 3.34Å; A26-A28 PolarHBondContact O-N 2.95Å; A28-V30 HydrophobicContact CB-CG2 4.22Å; A28-V164 HydrophobicContact CB-CB 4.25Å; A28-V164 HydrophobicContact CB-CG1 3.62Å; A28-V164 HydrophobicContact CB-CG2 3.62Å; A28-K172 HydrophobicContact CB-CG 4.37Å; A28-K172 WeakPolarHBondContact O-CE 3.47Å; A28-L176 HydrophobicContact CB-CD1 3.78Å
29G98.1Very high98.6Very high44 Ų4435.3 Ų35.345%0.45421%0.208SC..THydrogen-bonded Turntrans83.714.6-173.400000113.1S2 L25 A26 R27S2-G29 WeakPolarHBondContact CB-O 3.41Å; L25-G29 PolarHBondContact O-N 3.01Å; A26-G29 PolarHBondContact O-N 3.15Å; R27-G29 PolarHBondContact O-N 3.05Å
30V98.7Very high98.5Very high7 Ų736.5 Ų36.54%0.04221%0.212CC..  trans-73135.1170.3-179.50000108.4A3 A5 L25 A28 V32 L167A3-V30 HydrophobicContact CB-CG1 4.48Å; A3-V30 HydrophobicContact CB-CG2 4.39Å; A3-V30 CarbonylContact O-C 3.57Å; A3-V30 WeakPolarHBondContact O-CA 3.32Å; A3-V30 WeakPolarHBondContact O-CG1 3.44Å; A5-V30 HydrophobicContact CB-CG1 3.68Å; L25-V30 HydrophobicContact CB-CB 4.11Å; L25-V30 HydrophobicContact CB-CG1 4.42Å; L25-V30 HydrophobicContact CB-CG2 4.44Å; L25-V30 HydrophobicContact CD2-CG2 4.21Å; L25-V30 VanDerWaalsContact O-CB 3.28Å; L25-V30 WeakPolarHBondContact O-CB 3.45Å; L25-V30 PolarHBondContact O-N 2.95Å; L25-V30 VanDerWaalsContact O-N 3.09Å; A28-V30 HydrophobicContact CB-CG2 4.22Å; V30-V32 HydrophobicContact CB-CG2 4.42Å; V30-V32 HydrophobicContact CG1-CG2 4.28Å; V30-V32 PolarHBondContact O-N 3.31Å; V30-V32 VanDerWaalsContact O-N 3.14Å; V30-L167 HydrophobicContact CG1-CD1 4.47Å; V30-L167 HydrophobicContact CG2-CD1 4.28Å
31N98.6Very high98.5Very high101 Ų10137.6 Ų37.654%0.5423%0.226SC..EExtended strand (participates in β ladder)trans-78.496.3173.6-172.212.6000109.5A3 S4 A5A3-N31 PolarHBondContact O-N 2.94Å; S4-N31 WeakPolarHBondContact CA-O 3.34Å; A5-N31 PolarHBondContact N-O 2.96Å
32V98.8Very high98.5Very high24 Ų2442 Ų4215%0.14525%0.253CS..EExtended strand (participates in β ladder)trans-88.6125.1-176.4-177.10000110.4A5 A22 L25 A26 V30 V34A5-V32 CarbonylContact O-C 3.55Å; A5-V32 WeakPolarHBondContact O-CA 3.31Å; A22-V32 HydrophobicContact CB-CG1 4.18Å; L25-V32 HydrophobicContact CB-CG2 3.57Å; A26-V32 HydrophobicContact CB-CG2 4.29Å; V30-V32 HydrophobicContact CB-CG2 4.42Å; V30-V32 HydrophobicContact CG1-CG2 4.28Å; V30-V32 PolarHBondContact O-N 3.31Å; V30-V32 VanDerWaalsContact O-N 3.14Å; V32-V34 HydrophobicContact CG1-CG2 4.42Å
33T98.8Very high98.5Very high26 Ų2641.7 Ų41.716%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-109.7119.1168-61.20000109A5 L6 L7 V55 F65A5-T33 PolarHBondContact O-N 3.28Å; L6-T33 CarbonylContact C-O 3.52Å; L6-T33 WeakPolarHBondContact CA-O 3.14Å; L6-T33 HydrophobicContact CD1-CG2 4.23Å; L7-T33 PolarHBondContact N-O 3.33Å; T33-V55 HydrophobicContact CG2-CG2 3.61Å; T33-F65 HydrophobicContact CG2-CZ 4.46Å
34V98.9Very high98.5Very high20 Ų2044.1 Ų44.112%0.12126%0.256CS..EExtended strand (participates in β ladder)trans-88.9108.7169.4-175.50000108.2L7 L9 V32 P53 N54 V55L7-V34 HydrophobicContact CD2-CG1 4.1Å; L7-V34 WeakPolarHBondContact O-CA 3.45Å; L9-V34 HydrophobicContact CB-CG1 3.69Å; L9-V34 HydrophobicContact CD2-CG1 3.91Å; L9-V34 HydrophobicContact CG-CG1 4.38Å; V32-V34 HydrophobicContact CG1-CG2 4.42Å; V34-P53 HydrophobicContact CG1-CB 3.99Å; V34-P53 WeakPolarHBondContact O-CB 3.34Å; V34-N54 WeakPolarHBondContact CB-OD1 3.27Å; V34-N54 PolarHBondContact N-OD1 3.09Å; V34-N54 PolarHBondContact O-N 3.14Å; V34-V55 PolarHBondContact O-N 2.83Å
35G98.8Very high98.4Very high0 Ų044.6 Ų44.60%026%0.262CS..EExtended strand (participates in β ladder)trans-100114.3179.600000111.3L7 L9 V55L7-G35 PolarHBondContact O-N 3.12Å; L9-G35 PolarHBondContact N-O 3.22Å; G35-V55 WeakPolarHBondContact CA-O 3.3Å
36G98.8Very high98.4Very high0 Ų047.2 Ų47.20%028%0.28CS..EExtended strand (participates in β ladder)trans-79.5122.7179.900000112.5L9 Q38 G39 V55 L57L9-G36 CarbonylContact O-C 3.52Å; L9-G36 WeakPolarHBondContact O-CA 3.47Å; G36-Q38 PolarHBondContact O-N 3.19Å; G36-G39 CarbonylContact C-O 3.52Å; G36-G39 VanDerWaalsContact CA-O 3.25Å; G36-G39 WeakPolarHBondContact CA-O 3.24Å; G36-G39 PolarHBondContact O-N 2.82Å; G36-V55 PolarHBondContact N-O 2.84Å; G36-L57 WeakPolarHBondContact O-CB 3.19Å; G36-L57 PolarHBondContact O-N 3.12Å
37L98.7Very high98.4Very high31 Ų3150.4 Ų50.416%0.16229%0.289CS..THydrogen-bonded Turntrans-63.9-41.1-177179.157.8000111.8L9 L57 A79 M80 V86L9-L37 WeakPolarHBondContact O-CB 3.31Å; L9-L37 PolarHBondContact O-N 3.06Å; L37-L57 HydrophobicContact CB-CD2 4.49Å; L37-L57 HydrophobicContact CD1-CD2 3.65Å; L37-A79 HydrophobicContact CD2-CB 3.86Å; L37-M80 HydrophobicContact CD2-CG 4.15Å; L37-V86 HydrophobicContact CD1-CG2 3.82Å; L37-V86 HydrophobicContact CD2-CG2 4.39Å
38Q97.9Very high98.4Very high97 Ų9745.6 Ų45.645%0.45328%0.281SS..THydrogen-bonded Turntrans-86.7-3178-64.576.817.300113.7S10 G36 L43S10-Q38 VanDerWaalsContact CA-OE1 3.29Å; S10-Q38 PolarHBondContact OG-NE2 3.03Å; S10-Q38 PolarHBondContact OG-OE1 2.82Å; G36-Q38 PolarHBondContact O-N 3.19Å; Q38-L43 HydrophobicContact CB-CD2 4Å
39G97.9Very high98.4Very high19 Ų1949 Ų4920%0.19630%0.301CS..  trans138.5-170.8-177.300000112.9G36 P53G36-G39 CarbonylContact C-O 3.52Å; G36-G39 VanDerWaalsContact CA-O 3.25Å; G36-G39 WeakPolarHBondContact CA-O 3.24Å; G36-G39 PolarHBondContact O-N 2.82Å; G39-P53 WeakPolarHBondContact O-CG 3.29Å
40D97.4Very high98.4Very high100 Ų10051 Ų5154%0.53531%0.306SS..SBendtrans-97.24.6176.962.2-5.2000114
41G98.3Very high98.4Very high39 Ų3952.1 Ų52.140%0.40231%0.312SS..SBendtrans-72171.9172.500000112.9L43 P53G41-L43 PolarHBondContact O-N 3.18Å; G41-P53 WeakPolarHBondContact O-CD 3.46Å
42V98.5Very high98.4Very high94 Ų9454.6 Ų54.657%0.5732%0.318SS*.  trans-64.7127.9175.8177.30000109.7C50 K52V42-C50 HydrophobicContact CG1-CB 3.56Å; V42-K52 HydrophobicContact CG2-CB 4.32Å
43L98.3Very high98.4Very high11 Ų1153.6 Ų53.66%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-108135.7175.3-56.3179.4000109.2L9 E11 Q38 G41 C50 I51 P53L9-L43 HydrophobicContact CB-CD1 4.4Å; L9-L43 HydrophobicContact CD2-CB 4.44Å; L9-L43 HydrophobicContact CD2-CD1 4.06Å; L9-L43 HydrophobicContact CG-CD1 3.97Å; E11-L43 VanDerWaalsContact OE2-CA 3.31Å; E11-L43 WeakPolarHBondContact OE2-CA 3.41Å; Q38-L43 HydrophobicContact CB-CD2 4Å; G41-L43 PolarHBondContact O-N 3.18Å; L43-C50 WeakPolarHBondContact O-CA 3.17Å; L43-I51 PolarHBondContact N-O 2.99Å; L43-I51 PolarHBondContact O-N 2.91Å; L43-P53 HydrophobicContact CD1-CG 4.49Å
44K98.5Very high98.4Very high113 Ų11357.3 Ų57.349%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-91.4124.7176.6-167.7-179.3178.2179.10109.1E11 G12 G48E11-K44 WeakPolarHBondContact OE1-CB 3.28Å; E11-K44 PolarHBondContact OE2-N 3.34Å; G12-K44 PolarHBondContact N-O 3.28Å; K44-G48 VanDerWaalsContact CE-CA 3.48Å
45G98.5Very high98.4Very high11 Ų1158.3 Ų58.311%0.11334%0.337CS..  trans-75.8178.2176.100000113.5A13 E15 N47 G48 V49A13-G45 CarbonylContact O-C 3.56Å; A13-G45 VanDerWaalsContact O-CA 3.24Å; A13-G45 WeakPolarHBondContact O-CA 3.38Å; E15-G45 VanDerWaalsContact CD-C 3.48Å; E15-G45 VanDerWaalsContact CD-CA 3.43Å; E15-G45 VanDerWaalsContact OE1-CA 3.3Å; E15-G45 WeakPolarHBondContact OE1-CA 3.42Å; G45-N47 PolarHBondContact O-N 3.33Å; G45-G48 PolarHBondContact O-N 3.23Å; G45-G48 VanDerWaalsContact O-N 3.08Å; G45-V49 PolarHBondContact N-O 3Å
46S98.2Very high98.3Very high56 Ų5659.5 Ų59.539%0.39235%0.345SS..THydrogen-bonded Turntrans-60.3-29.6-174.165.20000114.3A13 E15A13-S46 PolarHBondContact O-N 3.24Å; E15-S46 VanDerWaalsContact CD-N 3.33Å; E15-S46 PolarHBondContact OE1-N 3.48Å; E15-S46 PolarHBondContact OE2-N 2.95Å; E15-S46 VanDerWaalsContact OE2-N 3.12Å; E15-S46 PolarHBondContact OE2-OG 2.85Å
47N98.1Very high98.3Very high124 Ų12459.5 Ų59.566%0.66335%0.345SS*.THydrogen-bonded Turntrans-107.813178.9-63.9-70000112.5E15 G45E15-N47 WeakPolarHBondContact OE1-CA 3.37Å; E15-N47 PolarHBondContact OE1-N 3.04Å; E15-N47 PolarHBondContact OE2-N 3.01Å; E15-N47 PolarHBondContact OE2-ND2 2.97Å; G45-N47 PolarHBondContact O-N 3.33Å
48G97.7Very high98.3Very high32 Ų3261.5 Ų61.533%0.3336%0.362SS..SBendtrans87.65.4174.100000115.6E15 K44 G45 C50E15-G48 PolarHBondContact OE1-N 3.43Å; E15-G48 VanDerWaalsContact OE1-N 3.12Å; K44-G48 VanDerWaalsContact CE-CA 3.48Å; G45-G48 PolarHBondContact O-N 3.23Å; G45-G48 VanDerWaalsContact O-N 3.08Å; G48-C50 PolarHBondContact O-N 3.49Å
49V98.5Very high98.3Very high81 Ų8160 Ų6049%0.49136%0.362SS..  trans-73.3126.5172.2175.40000108.8E15 G45 I51E15-V49 HydrophobicContact CB-CB 4.14Å; E15-V49 HydrophobicContact CG-CB 3.81Å; E15-V49 HydrophobicContact CG-CG1 4.47Å; E15-V49 WeakPolarHBondContact OE1-CB 3.5Å; E15-V49 PolarHBondContact OE1-N 2.95Å; G45-V49 PolarHBondContact N-O 3Å; V49-I51 HydrophobicContact CG1-CG1 4.29Å
50C98.4Very high98.4Very high84 Ų8459.3 Ų59.357%0.56835%0.354SS*.EExtended strand (participates in β ladder)trans-89.2124.8-179.5-71.10000110.7V42 L43 G48V42-C50 HydrophobicContact CG1-CB 3.56Å; L43-C50 WeakPolarHBondContact O-CA 3.17Å; G48-C50 PolarHBondContact O-N 3.49Å
51I98.5Very high98.3Very high32 Ų3256 Ų5616%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-123.7129.5-179.6-56.1174.7000108.9L9 E15 V19 L43 V49L9-I51 HydrophobicContact CD1-CD1 4.48Å; L9-I51 HydrophobicContact CD2-CB 3.91Å; L9-I51 HydrophobicContact CD2-CG2 3.61Å; E15-I51 HydrophobicContact CB-CD1 4.2Å; E15-I51 HydrophobicContact CG-CD1 4.18Å; V19-I51 HydrophobicContact CG2-CD1 3.81Å; L43-I51 PolarHBondContact N-O 2.99Å; L43-I51 PolarHBondContact O-N 2.91Å; V49-I51 HydrophobicContact CG1-CG1 4.29Å
52K98.5Very high98.2Very high153 Ų15359.3 Ų59.367%0.66536%0.355SS*.  trans-92119.2171.1-169.1-173.8174.1-177.20109.4V42V42-K52 HydrophobicContact CG2-CB 4.32Å
53P98.7Very high98.1Very high3 Ų360.6 Ų60.62%0.01935%0.353CS..  trans-66.7162.9172.432.9-36.7000110.7L9 V34 G39 G41 L43L9-P53 HydrophobicContact CD2-CB 4.29Å; V34-P53 HydrophobicContact CG1-CB 3.99Å; V34-P53 WeakPolarHBondContact O-CB 3.34Å; G39-P53 WeakPolarHBondContact O-CG 3.29Å; G41-P53 WeakPolarHBondContact O-CD 3.46Å; L43-P53 HydrophobicContact CD1-CG 4.49Å
54N98.5Very high98.2Very high103 Ų10363.4 Ų63.455%0.55137%0.368SS*.SBendtrans-73.3-35.7176.4-56.4125.3000111.6V34V34-N54 WeakPolarHBondContact CB-OD1 3.27Å; V34-N54 PolarHBondContact N-OD1 3.09Å; V34-N54 PolarHBondContact O-N 3.14Å
55V98.8Very high98.2Very high42 Ų4258.6 Ų58.626%0.25535%0.347SS..EExtended strand (participates in β ladder)trans-149.5165.3-174.4-63.90000110.2T33 V34 G35 G36 V60T33-V55 HydrophobicContact CG2-CG2 3.61Å; V34-V55 PolarHBondContact O-N 2.83Å; G35-V55 WeakPolarHBondContact CA-O 3.3Å; G36-V55 PolarHBondContact N-O 2.84Å; V55-V60 HydrophobicContact CG2-CG1 3.85Å; V55-V60 HydrophobicContact CG2-CG2 4.09Å
56S98.7Very high98.2Very high24 Ų2460.4 Ų60.417%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-72.2142.8164.464.30000109.6S58 S59S56-S58 PolarHBondContact O-N 3.39Å; S56-S58 PolarHBondContact OG-OG 2.89Å; S56-S59 PolarHBondContact O-N 3.44Å; S56-S59 VanDerWaalsContact O-N 3.15Å; S56-S59 PolarHBondContact O-OG 2.92Å; S56-S59 WeakPolarHBondContact OG-CB 3.35Å
57L98.8Very high98.2Very high1 Ų157.7 Ų57.71%0.00534%0.335CS..G310 helixtrans-59-36.6179.4-174.266000111.7L6 I8 G36 L37 S59 V60 S61 L85 V86 I89L6-L57 HydrophobicContact CD1-CD1 4.16Å; L6-L57 HydrophobicContact CD2-CD1 3.93Å; L6-L57 HydrophobicContact CG-CD1 4.42Å; I8-L57 HydrophobicContact CD1-CD1 4.46Å; I8-L57 HydrophobicContact CG1-CD1 3.99Å; I8-L57 HydrophobicContact CG2-CD1 4.41Å; I8-L57 HydrophobicContact CG2-CD2 3.87Å; G36-L57 WeakPolarHBondContact O-CB 3.19Å; G36-L57 PolarHBondContact O-N 3.12Å; L37-L57 HydrophobicContact CB-CD2 4.49Å; L37-L57 HydrophobicContact CD1-CD2 3.65Å; L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.27Å; L57-V60 WeakPolarHBondContact O-CG2 3.49Å; L57-V60 PolarHBondContact O-N 3.03Å; L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 VanDerWaalsContact O-N 3.17Å; L57-L85 HydrophobicContact CB-CD2 4.29Å; L57-L85 HydrophobicContact CD2-CD2 4.02Å; L57-L85 HydrophobicContact CD2-CG 4.25Å; L57-L85 HydrophobicContact CG-CD2 4.09Å; L57-V86 HydrophobicContact CD2-CG2 3.96Å; L57-I89 HydrophobicContact CD1-CD1 3.73Å; L57-I89 HydrophobicContact CD2-CD1 3.96Å; L57-I89 HydrophobicContact CG-CD1 3.7Å
58S98.4Very high98.3Very high73 Ų7351.8 Ų51.851%0.5130%0.304SS..G310 helixtrans-59.2-37.9178.655.90000112.7S56 V60 S61S56-S58 PolarHBondContact O-N 3.39Å; S56-S58 PolarHBondContact OG-OG 2.89Å; S58-V60 PolarHBondContact O-N 3.39Å; S58-S61 WeakPolarHBondContact O-CB 3.28Å; S58-S61 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 3.1Å
59S98.3Very high98.3Very high65 Ų6550.3 Ų50.346%0.45529%0.288SS..G310 helixtrans-66.5-19.2-178.973.50000114.5S56 L57S56-S59 PolarHBondContact O-N 3.44Å; S56-S59 VanDerWaalsContact O-N 3.15Å; S56-S59 PolarHBondContact O-OG 2.92Å; S56-S59 WeakPolarHBondContact OG-CB 3.35Å; L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.27Å
60V98.2Very high98.3Very high5 Ų546.5 Ų46.53%0.0327%0.265CS..G310 helixtrans-117.57.3-179.9-64.60000113.1L6 V55 L57 S58 S62 K63 F65L6-V60 HydrophobicContact CD1-CG2 4.02Å; V55-V60 HydrophobicContact CG2-CG1 3.85Å; V55-V60 HydrophobicContact CG2-CG2 4.09Å; L57-V60 WeakPolarHBondContact O-CG2 3.49Å; L57-V60 PolarHBondContact O-N 3.03Å; S58-V60 PolarHBondContact O-N 3.39Å; V60-S62 PolarHBondContact O-N 3.23Å; V60-S62 VanDerWaalsContact O-N 3.13Å; V60-K63 HydrophobicContact CB-CD 4.24Å; V60-K63 HydrophobicContact CG1-CD 4.11Å; V60-K63 WeakPolarHBondContact O-CB 3.5Å; V60-K63 PolarHBondContact O-N 2.8Å; V60-F65 HydrophobicContact CB-CE2 4.28Å; V60-F65 HydrophobicContact CB-CZ 4.16Å; V60-F65 HydrophobicContact CG2-CZ 4.47Å
61S96.4Very high98.4Very high30 Ų3042.5 Ų42.521%0.2124%0.238CC..THydrogen-bonded Turntrans-64-19.4-173.462.60000115.7L57 S58L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 VanDerWaalsContact O-N 3.17Å; S58-S61 WeakPolarHBondContact O-CB 3.28Å; S58-S61 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 3.1Å
62S95.2Very high98.4Very high108 Ų10841 Ų4176%0.75523%0.231SC*.THydrogen-bonded Turntrans-95.9-4.8174.956.80000113.6V60V60-S62 PolarHBondContact O-N 3.23Å; V60-S62 VanDerWaalsContact O-N 3.13Å
63K98.1Very high98.3Very high121 Ų12134.1 Ų34.153%0.52620%0.203SC..PPolyproline II helixtrans-85.5138178.4-62.5-175.1-177178.10109.7V60 F65V60-K63 HydrophobicContact CB-CD 4.24Å; V60-K63 HydrophobicContact CG1-CD 4.11Å; V60-K63 WeakPolarHBondContact O-CB 3.5Å; V60-K63 PolarHBondContact O-N 2.8Å; K63-F65 HydrophobicContact CB-CD2 4.39Å; K63-F65 HydrophobicContact CB-CE2 3.74Å; K63-F65 HydrophobicContact CB-CZ 4.19Å
64L98.4Very high98.3Very high70 Ų7038.1 Ų38.137%0.36622%0.223SC..PPolyproline II helixtrans-95.6118.9173.4-167.172.2000109.2H96 K98L64-H96 HydrophobicContact CD1-CB 4.01Å; L64-H96 HydrophobicContact CD2-CB 3.72Å; L64-K98 HydrophobicContact CD1-CG 3.84Å; L64-K98 HydrophobicContact CD2-CD 4.38Å; L64-K98 VanDerWaalsContact CD2-CE 3.42Å; L64-K98 HydrophobicContact CD2-CG 4.12Å; L64-K98 HydrophobicContact CG-CD 4.46Å; L64-K98 HydrophobicContact CG-CG 3.91Å
65F98.8Very high98.2Very high13 Ų1335.2 Ų35.26%0.05722%0.216CC..PPolyproline II helixtrans-98161.7175-63.4-97.4000109.8L6 T33 V60 K63 L67 H93 K98L6-F65 HydrophobicContact CB-CB 4.25Å; L6-F65 HydrophobicContact CB-CD1 3.96Å; L6-F65 HydrophobicContact CB-CD2 3.64Å; L6-F65 HydrophobicContact CB-CE1 4.18Å; L6-F65 HydrophobicContact CB-CE2 3.89Å; L6-F65 HydrophobicContact CB-CG 3.68Å; L6-F65 HydrophobicContact CB-CZ 4.15Å; L6-F65 HydrophobicContact CD1-CE2 4.33Å; L6-F65 HydrophobicContact CD1-CZ 4.29Å; L6-F65 HydrophobicContact CD2-CD2 4.06Å; L6-F65 HydrophobicContact CD2-CE2 3.96Å; L6-F65 HydrophobicContact CG-CD2 4.4Å; L6-F65 HydrophobicContact CG-CE2 4.29Å; T33-F65 HydrophobicContact CG2-CZ 4.46Å; V60-F65 HydrophobicContact CB-CE2 4.28Å; V60-F65 HydrophobicContact CB-CZ 4.16Å; V60-F65 HydrophobicContact CG2-CZ 4.47Å; K63-F65 HydrophobicContact CB-CD2 4.39Å; K63-F65 HydrophobicContact CB-CE2 3.74Å; K63-F65 HydrophobicContact CB-CZ 4.19Å; F65-L67 VanDerWaalsContact C-N 3.26Å; F65-H93 AromaticContact CD2-NE2 3.89Å; F65-H93 PolarHBondContact N-NE2 2.6Å; F65-H93 PolarHBondContact O-CD2 2.86Å; F65-K98 WeakPolarHBondContact O-CD 3.49Å; F65-K98 VanDerWaalsContact O-CG 3.25Å; F65-K98 WeakPolarHBondContact O-CG 3.45Å
66D98.8Very high98.2Very high48 Ų4833.2 Ų33.226%0.25720%0.204SC..SBendtrans-75-23.1174.8-57.8-59.4000112.3A3 S4 K98 Y99 L167A3-D66 WeakPolarHBondContact CA-OD2 3.48Å; A3-D66 HydrophobicContact CB-CB 4.49Å; S4-D66 PolarHBondContact N-OD2 3.22Å; S4-D66 WeakPolarHBondContact O-CA 3.38Å; S4-D66 WeakPolarHBondContact O-CB 3.42Å; S4-D66 PolarHBondContact O-N 3.44Å; S4-D66 PolarHBondContact OG-N 3.33Å; S4-D66 PolarHBondContact OG-OD2 2.96Å; D66-K98 IonicContact OD1-NZ 3.62Å; D66-K98 PolarHBondContact OD1-NZ 3.48Å; D66-Y99 PolarHBondContact O-N 2.91Å; D66-L167 HydrophobicContact CB-CD2 4.23Å
67L98.9Very high98.2Very high0 Ų032 Ų320%020%0.196CC..EExtended strand (participates in β ladder)trans-144.1135.8179.3170.765.5000110.8S4 A5 L6 L25 F65 V69 Y99 A101 L163 L167S4-L67 PolarHBondContact O-N 3.19Å; A5-L67 CarbonylContact C-O 3.57Å; A5-L67 VanDerWaalsContact CA-O 3.32Å; A5-L67 WeakPolarHBondContact CA-O 3.44Å; A5-L67 HydrophobicContact CB-CB 4.15Å; A5-L67 HydrophobicContact CB-CD2 4.15Å; A5-L67 HydrophobicContact CB-CG 4.36Å; L6-L67 PolarHBondContact N-O 3.25Å; L25-L67 HydrophobicContact CD1-CD2 3.9Å; L25-L67 HydrophobicContact CD2-CD2 4.35Å; F65-L67 VanDerWaalsContact C-N 3.26Å; L67-V69 HydrophobicContact CD1-CG2 4.06Å; L67-V69 HydrophobicContact CD2-CG2 3.57Å; L67-V69 HydrophobicContact CG-CG2 3.62Å; L67-Y99 WeakPolarHBondContact CA-O 3.24Å; L67-A101 HydrophobicContact CD1-CB 3.76Å; L67-L163 HydrophobicContact CD1-CD2 4.12Å; L67-L163 HydrophobicContact CD2-CB 4.27Å; L67-L163 HydrophobicContact CD2-CD1 4.13Å; L67-L163 HydrophobicContact CD2-CD2 4.24Å; L67-L163 HydrophobicContact CD2-CG 4.44Å; L67-L167 HydrophobicContact CB-CD1 4Å; L67-L167 HydrophobicContact CB-CD2 4.43Å; L67-L167 HydrophobicContact CD2-CD1 3.7Å; L67-L167 HydrophobicContact CG-CD1 4.49Å
68V98.9Very high98.2Very high0 Ų035.8 Ų35.80%022%0.216CC..EExtended strand (participates in β ladder)trans-111.3129.7162.9-179.30000108.9L6 I8 I89 L90 H93 Y99 A101L6-V68 HydrophobicContact CB-CG2 4.46Å; L6-V68 HydrophobicContact CD2-CG2 4.47Å; L6-V68 CarbonylContact O-C 3.5Å; L6-V68 WeakPolarHBondContact O-CA 3.46Å; I8-V68 HydrophobicContact CD1-CG1 3.74Å; I8-V68 HydrophobicContact CG1-CG1 4.09Å; V68-I89 HydrophobicContact CG1-CG2 4.42Å; V68-I89 HydrophobicContact CG2-CG2 4.18Å; V68-L90 HydrophobicContact CG1-CD2 3.98Å; V68-H93 HydrophobicContact CG2-CB 4.27Å; V68-H93 WeakPolarHBondContact CG2-CD2 3.35Å; V68-H93 WeakPolarHBondContact CG2-NE2 3.49Å; V68-Y99 PolarHBondContact N-O 3.04Å; V68-A101 PolarHBondContact O-N 3.11Å
69V99Very high98.2Very high1 Ų133.4 Ų33.41%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-117.5132.6-179.1-172.80000110.4L6 L7 I8 V21 L25 L67 A101 F159 L163L6-V69 PolarHBondContact O-N 2.69Å; L7-V69 HydrophobicContact CB-CB 4.5Å; L7-V69 HydrophobicContact CD1-CG1 4.33Å; L7-V69 HydrophobicContact CG-CB 4.43Å; I8-V69 PolarHBondContact N-O 2.96Å; V21-V69 HydrophobicContact CG1-CG1 3.84Å; V21-V69 HydrophobicContact CG1-CG2 4.19Å; L25-V69 HydrophobicContact CD1-CG2 4.38Å; L67-V69 HydrophobicContact CD1-CG2 4.06Å; L67-V69 HydrophobicContact CD2-CG2 3.57Å; L67-V69 HydrophobicContact CG-CG2 3.62Å; V69-A101 CarbonylContact C-O 3.55Å; V69-A101 WeakPolarHBondContact CA-O 3.29Å; V69-F159 HydrophobicContact CG1-CE1 4.19Å; V69-L163 HydrophobicContact CG2-CD1 4.35Å
70M98.9Very high98.2Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-116.7108.2172.3-63.6-173.9-65.300110I8 M80 V86 L90 A101 A102 I103 A106 A109 L110I8-M70 HydrophobicContact CD1-CG 4.3Å; M70-M80 HydrophobicContact CB-CE 3.85Å; M70-M80 HydrophobicContact CB-SD 3.8Å; M70-M80 HydrophobicContact CG-CE 4.37Å; M70-M80 HydrophobicContact CG-SD 3.68Å; M70-M80 HydrophobicContact SD-SD 3.99Å; M70-V86 HydrophobicContact SD-CG1 4.14Å; M70-L90 HydrophobicContact CE-CD1 3.94Å; M70-L90 HydrophobicContact CE-CD2 4.09Å; M70-L90 HydrophobicContact SD-CD1 3.85Å; M70-L90 HydrophobicContact SD-CD2 4.08Å; M70-L90 HydrophobicContact SD-CG 4.48Å; M70-A101 PolarHBondContact N-O 3.21Å; M70-A102 HydrophobicContact CB-CB 4.37Å; M70-A102 HydrophobicContact CE-CB 3.91Å; M70-A102 WeakPolarHBondContact O-CA 3.33Å; M70-I103 PolarHBondContact O-N 3.23Å; M70-I103 VanDerWaalsContact O-N 3.14Å; M70-A106 HydrophobicContact CB-CB 3.81Å; M70-A106 VanDerWaalsContact O-CB 3.3Å; M70-A106 WeakPolarHBondContact O-CB 3Å; M70-A109 HydrophobicContact CE-CB 4.31Å; M70-A109 HydrophobicContact SD-CB 4.08Å; M70-L110 HydrophobicContact CE-CD2 3.47Å; M70-L110 VanDerWaalsContact CE-CD2 3.47Å; M70-L110 HydrophobicContact CE-CG 3.95Å
71P98.8Very high98.3Very high1 Ų130.8 Ų30.81%0.00618%0.183CC..  trans-69.9155.4169.331.9-33.4000110.5L7 I8 A13 E17 A18 M80 A106L7-P71 HydrophobicContact CD2-CG 4.28Å; I8-P71 WeakPolarHBondContact O-CD 3.33Å; A13-P71 HydrophobicContact CB-CG 4.23Å; E17-P71 HydrophobicContact CB-CB 4.19Å; A18-P71 HydrophobicContact CB-CB 3.92Å; A18-P71 HydrophobicContact CB-CG 4.01Å; P71-M80 WeakPolarHBondContact O-CE 3.41Å; P71-A106 WeakPolarHBondContact O-CB 3.24Å
72G98.7Very high98.4Very high0 Ų033.9 Ų33.90%021%0.205CC..  trans-77-144.3176.100000113.3A13 E14 E17 I103A13-G72 CarbonylContact C-O 3.55Å; A13-G72 WeakPolarHBondContact CA-O 3.49Å; E14-G72 PolarHBondContact N-O 3.33Å; E17-G72 WeakPolarHBondContact OE2-CA 3.39Å; E17-G72 PolarHBondContact OE2-N 3.02Å; G72-I103 WeakPolarHBondContact CA-O 3.33Å; G72-I103 PolarHBondContact N-O 3.32Å
73G98.1Very high98.5Very high8 Ų829.7 Ų29.78%0.08218%0.176CC..  trans83127-166.500000109.9G12 G75 G76 S77G12-G73 CarbonylContact O-C 3.44Å; G73-G75 PolarHBondContact O-N 3.39Å; G73-G76 PolarHBondContact O-N 2.88Å; G73-S77 VanDerWaalsContact O-CB 3.3Å; G73-S77 WeakPolarHBondContact O-CB 3.36Å; G73-S77 PolarHBondContact O-N 3.22Å; G73-S77 PolarHBondContact O-OG 2.77Å
74M97.3Very high98.6Very high88 Ų8832.4 Ų32.443%0.43319%0.191SC..Hα-helixtrans-62.4-41.1-169.1-84.6-61.9-7500113.3S77 N78 A105 F127M74-S77 PolarHBondContact O-N 3.07Å; M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.14Å; M74-N78 PolarHBondContact O-N 2.84Å; M74-N78 PolarHBondContact O-ND2 2.99Å; M74-A105 HydrophobicContact SD-CB 4Å; M74-F127 HydrophobicContact CE-CE1 4.21Å; M74-F127 HydrophobicContact CE-CZ 4.32Å; M74-F127 HydrophobicContact CG-CZ 4.33Å; M74-F127 HydrophobicContact SD-CE1 3.49Å; M74-F127 WeakPolarHBondContact SD-CE1 3.3Å; M74-F127 HydrophobicContact SD-CZ 3.31Å; M74-F127 WeakPolarHBondContact SD-CZ 3.37Å
75G97.5Very high98.6Very high41 Ų4131.4 Ų31.442%0.42319%0.185SC..Hα-helixtrans-59.8-49.4176.300000111.5E11 G73 A79E11-G75 CarbonylContact O-C 3.49Å; G73-G75 PolarHBondContact O-N 3.39Å; G75-A79 WeakPolarHBondContact O-CB 3.43Å; G75-A79 PolarHBondContact O-N 3.16Å; G75-A79 VanDerWaalsContact O-N 3.08Å
76G98.3Very high98.6Very high0 Ų030.8 Ų30.80%018%0.182CC..Hα-helixtrans-66.1-42.9179.100000113.2E11 G12 G73 A79 M80E11-G76 WeakPolarHBondContact O-CA 3.12Å; E11-G76 PolarHBondContact O-N 2.81Å; G12-G76 PolarHBondContact O-N 2.93Å; G12-G76 VanDerWaalsContact O-N 3.14Å; G73-G76 PolarHBondContact O-N 2.88Å; G76-A79 PolarHBondContact O-N 2.87Å; G76-M80 WeakPolarHBondContact O-CG 3.37Å; G76-M80 PolarHBondContact O-N 3.01Å
77S98.7Very high98.6Very high0 Ų028.6 Ų28.60%017%0.171CC..Hα-helixtrans-63.9-43.8-179.6-55.70000111.6G73 M74 M80 A81 A105 A106G73-S77 VanDerWaalsContact O-CB 3.3Å; G73-S77 WeakPolarHBondContact O-CB 3.36Å; G73-S77 PolarHBondContact O-N 3.22Å; G73-S77 PolarHBondContact O-OG 2.77Å; M74-S77 PolarHBondContact O-N 3.07Å; S77-M80 PolarHBondContact O-N 2.96Å; S77-A81 WeakPolarHBondContact O-CB 3.33Å; S77-A81 PolarHBondContact O-N 2.95Å; S77-A105 WeakPolarHBondContact OG-CB 3.49Å; S77-A106 PolarHBondContact OG-N 3.14Å
78N98.6Very high98.6Very high80 Ų8034.8 Ų34.843%0.42820%0.198SC..Hα-helixtrans-65.8-39.6175.9-71.9-17.7000112.2M74 A81 S82M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.14Å; M74-N78 PolarHBondContact O-N 2.84Å; M74-N78 PolarHBondContact O-ND2 2.99Å; N78-A81 PolarHBondContact O-N 2.93Å; N78-S82 PolarHBondContact O-N 2.95Å; N78-S82 PolarHBondContact O-OG 3.24Å
79A98.7Very high98.6Very high22 Ų2234.9 Ų34.918%0.18220%0.199CC..Hα-helixtrans-64.4-41.2175.900000111.4S10 L37 G75 G76 S82 S83S10-A79 WeakPolarHBondContact OG-CB 3.32Å; L37-A79 HydrophobicContact CD2-CB 3.86Å; G75-A79 WeakPolarHBondContact O-CB 3.43Å; G75-A79 PolarHBondContact O-N 3.16Å; G75-A79 VanDerWaalsContact O-N 3.08Å; G76-A79 PolarHBondContact O-N 2.87Å; A79-S82 PolarHBondContact O-OG 3.1Å; A79-S83 VanDerWaalsContact O-CB 3.27Å; A79-S83 WeakPolarHBondContact O-CB 3.35Å; A79-S83 PolarHBondContact O-N 3.34Å; A79-S83 VanDerWaalsContact O-N 3.15Å
80M98.7Very high98.6Very high1 Ų134.9 Ų34.91%0.00520%0.199CC..Hα-helixtrans-67.4-41.9175.5-72.1-172.7-67.400112.3I8 L37 M70 P71 G76 S77 S82 S83 V86 A106 A109 H113I8-M80 HydrophobicContact CB-SD 4.04Å; I8-M80 HydrophobicContact CG2-CG 4.14Å; I8-M80 HydrophobicContact CG2-SD 3.79Å; L37-M80 HydrophobicContact CD2-CG 4.15Å; M70-M80 HydrophobicContact CB-CE 3.85Å; M70-M80 HydrophobicContact CB-SD 3.8Å; M70-M80 HydrophobicContact CG-CE 4.37Å; M70-M80 HydrophobicContact CG-SD 3.68Å; M70-M80 HydrophobicContact SD-SD 3.99Å; P71-M80 WeakPolarHBondContact O-CE 3.41Å; G76-M80 WeakPolarHBondContact O-CG 3.37Å; G76-M80 PolarHBondContact O-N 3.01Å; S77-M80 PolarHBondContact O-N 2.96Å; M80-S82 VanDerWaalsContact C-N 3.3Å; M80-S82 PolarHBondContact O-N 2.9Å; M80-S83 PolarHBondContact O-N 2.81Å; M80-V86 HydrophobicContact CB-CG1 4.24Å; M80-V86 HydrophobicContact CB-CG2 4.43Å; M80-V86 HydrophobicContact CG-CG2 4.27Å; M80-A106 HydrophobicContact CE-CB 4.19Å; M80-A109 HydrophobicContact CB-CB 4.07Å; M80-H113 PolarHBondContact O-NE2 3.41Å
81A98.7Very high98.5Very high14 Ų1440 Ų4012%0.11622%0.221CC..Hα-helixtrans-63.8-33.2178.600000113.1S77 N78 I108 A109 S112 H113S77-A81 WeakPolarHBondContact O-CB 3.33Å; S77-A81 PolarHBondContact O-N 2.95Å; N78-A81 PolarHBondContact O-N 2.93Å; A81-I108 HydrophobicContact CB-CG1 4.24Å; A81-A109 HydrophobicContact CB-CB 4.1Å; A81-S112 WeakPolarHBondContact O-CB 3.46Å; A81-S112 PolarHBondContact O-OG 2.87Å; A81-H113 PolarHBondContact O-CE1 3.32Å; A81-H113 PolarHBondContact O-NE2 3.1Å
82S98.5Very high98.5Very high95 Ų9543.8 Ų43.866%0.66424%0.239SC*.Hα-helixtrans-88.9-8.6178.256.50000114.2N78 A79 M80N78-S82 PolarHBondContact O-N 2.95Å; N78-S82 PolarHBondContact O-OG 3.24Å; A79-S82 PolarHBondContact O-OG 3.1Å; M80-S82 VanDerWaalsContact C-N 3.3Å; M80-S82 PolarHBondContact O-N 2.9Å
83S98.8Very high98.5Very high21 Ų2144 Ų4415%0.14724%0.239CC..  trans-85.9115.5-175.9179.80000113.1A79 M80 L85 V86 G87 H113A79-S83 VanDerWaalsContact O-CB 3.27Å; A79-S83 WeakPolarHBondContact O-CB 3.35Å; A79-S83 PolarHBondContact O-N 3.34Å; A79-S83 VanDerWaalsContact O-N 3.15Å; M80-S83 PolarHBondContact O-N 2.81Å; S83-L85 PolarHBondContact O-N 2.86Å; S83-L85 PolarHBondContact OG-N 2.8Å; S83-V86 PolarHBondContact O-N 2.95Å; S83-V86 PolarHBondContact OG-N 3.39Å; S83-G87 PolarHBondContact O-N 3.5Å; S83-H113 PolarHBondContact O-CE1 3.2Å; S83-H113 PolarHBondContact O-NE2 3.38Å
84E98.5Very high98.6Very high178 Ų17847.3 Ų47.383%0.83225%0.253SS*.Hα-helixtrans-59.1-34.7170.4-65-174.3170.600112.6G87 K88E84-G87 PolarHBondContact O-N 2.95Å; E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.27Å
85L98.7Very high98.6Very high48 Ų4850.6 Ų50.625%0.25127%0.265SS..Hα-helixtrans-62.3-46177.2179.160.8000111.1L57 S83 K88 I89L57-L85 HydrophobicContact CB-CD2 4.29Å; L57-L85 HydrophobicContact CD2-CD2 4.02Å; L57-L85 HydrophobicContact CD2-CG 4.25Å; L57-L85 HydrophobicContact CG-CD2 4.09Å; S83-L85 PolarHBondContact O-N 2.86Å; S83-L85 PolarHBondContact OG-N 2.8Å; L85-K88 PolarHBondContact O-N 3.33Å; L85-I89 HydrophobicContact CD1-CD1 4.3Å; L85-I89 HydrophobicContact CG-CD1 4.18Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.87Å
86V98.9Very high98.7Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-62.6-47.2175.6174.30000109.9I8 L37 L57 M70 M80 S83 K88 I89 L90I8-V86 HydrophobicContact CD1-CG1 4.15Å; I8-V86 HydrophobicContact CD1-CG2 4.36Å; I8-V86 HydrophobicContact CG2-CG2 4.32Å; L37-V86 HydrophobicContact CD1-CG2 3.82Å; L37-V86 HydrophobicContact CD2-CG2 4.39Å; L57-V86 HydrophobicContact CD2-CG2 3.96Å; M70-V86 HydrophobicContact SD-CG1 4.14Å; M80-V86 HydrophobicContact CB-CG1 4.24Å; M80-V86 HydrophobicContact CB-CG2 4.43Å; M80-V86 HydrophobicContact CG-CG2 4.27Å; S83-V86 PolarHBondContact O-N 2.95Å; S83-V86 PolarHBondContact OG-N 3.39Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 3.38Å; V86-I89 PolarHBondContact O-N 3.08Å; V86-I89 VanDerWaalsContact O-N 3.11Å; V86-L90 HydrophobicContact CG1-CD1 3.78Å; V86-L90 HydrophobicContact CG1-CG 4.1Å; V86-L90 WeakPolarHBondContact O-CG 3.32Å; V86-L90 PolarHBondContact O-N 3.5Å
87G98.8Very high98.7Very high2 Ų254.9 Ų54.92%0.02128%0.284CS..Hα-helixtrans-56-42.1176.800000113.3S83 E84 K91 H113S83-G87 PolarHBondContact O-N 3.5Å; E84-G87 PolarHBondContact O-N 2.95Å; G87-K91 WeakPolarHBondContact O-CB 3.47Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.31Å; G87-K91 PolarHBondContact O-N 3.02Å; G87-H113 VanDerWaalsContact CA-ND1 3.3Å; G87-H113 WeakPolarHBondContact CA-ND1 3.43Å
88K98.7Very high98.7Very high131 Ų13157.2 Ų57.257%0.5729%0.294SS*.Hα-helixtrans-62.2-47.8174.8-178.2-175.9175.2-176.20111.7E84 L85 V86 K91 E92E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.27Å; L85-K88 PolarHBondContact O-N 3.33Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 3.38Å; K88-K91 PolarHBondContact O-N 3.37Å; K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 PolarHBondContact O-N 3.12Å
89I98.9Very high98.7Very high2 Ų255.3 Ų55.31%0.0128%0.281CS..Hα-helixtrans-59.8-48.7179.7-70.8167.8000110.1L6 L57 V68 L85 V86 E92 H93L6-I89 HydrophobicContact CD2-CG2 4.13Å; L57-I89 HydrophobicContact CD1-CD1 3.73Å; L57-I89 HydrophobicContact CD2-CD1 3.96Å; L57-I89 HydrophobicContact CG-CD1 3.7Å; V68-I89 HydrophobicContact CG1-CG2 4.42Å; V68-I89 HydrophobicContact CG2-CG2 4.18Å; L85-I89 HydrophobicContact CD1-CD1 4.3Å; L85-I89 HydrophobicContact CG-CD1 4.18Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.87Å; V86-I89 PolarHBondContact O-N 3.08Å; V86-I89 VanDerWaalsContact O-N 3.11Å; I89-E92 PolarHBondContact O-N 2.89Å; I89-H93 PolarHBondContact O-N 3.37Å; I89-H93 PolarHBondContact O-ND1 3.48Å
90L98.9Very high98.7Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-62.1-47-178.6-64.7175.5000111.7V68 M70 V86 E92 H93 E94 I100 H113 I115V68-L90 HydrophobicContact CG1-CD2 3.98Å; M70-L90 HydrophobicContact CE-CD1 3.94Å; M70-L90 HydrophobicContact CE-CD2 4.09Å; M70-L90 HydrophobicContact SD-CD1 3.85Å; M70-L90 HydrophobicContact SD-CD2 4.08Å; M70-L90 HydrophobicContact SD-CG 4.48Å; V86-L90 HydrophobicContact CG1-CD1 3.78Å; V86-L90 HydrophobicContact CG1-CG 4.1Å; V86-L90 WeakPolarHBondContact O-CG 3.32Å; V86-L90 PolarHBondContact O-N 3.5Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.04Å; L90-H93 PolarHBondContact O-N 2.64Å; L90-E94 WeakPolarHBondContact O-CB 3.19Å; L90-E94 PolarHBondContact O-N 3.23Å; L90-I100 HydrophobicContact CB-CD1 4.42Å; L90-I100 HydrophobicContact CD2-CD1 4.39Å; L90-I100 HydrophobicContact CD2-CG2 3.87Å; L90-I100 WeakPolarHBondContact O-CD1 3.37Å; L90-H113 HydrophobicContact CD1-CB 4.43Å; L90-I115 HydrophobicContact CB-CD1 3.59Å; L90-I115 HydrophobicContact CB-CG1 3.8Å; L90-I115 HydrophobicContact CD1-CG1 4.06Å
91K98.8Very high98.7Very high107 Ų10754.6 Ų54.647%0.46527%0.274SS..Hα-helixtrans-61.4-39.2178.1-72.4171.9-175.91710112.4G87 K88 H93 K95 H113 I115G87-K91 WeakPolarHBondContact O-CB 3.47Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.31Å; G87-K91 PolarHBondContact O-N 3.02Å; K88-K91 PolarHBondContact O-N 3.37Å; K91-H93 VanDerWaalsContact C-N 3.34Å; K91-K95 VanDerWaalsContact O-CB 3.27Å; K91-K95 WeakPolarHBondContact O-CB 3.27Å; K91-K95 PolarHBondContact O-N 3.36Å; K91-H113 WeakPolarHBondContact CE-O 3.48Å; K91-I115 HydrophobicContact CG-CD1 3.67Å
92E98.7Very high98.7Very high82 Ų8253.9 Ų53.938%0.38327%0.269SS..Hα-helixtrans-67.3-38178.7-165.763.5-166.900111.7K88 I89 L90 H96K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 PolarHBondContact O-N 3.12Å; I89-E92 PolarHBondContact O-N 2.89Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.04Å; E92-H96 PolarHBondContact O-N 2.74Å; E92-H96 PolarHBondContact O-ND1 3.24Å; E92-H96 IonicContact OE1-CE1 3.28Å; E92-H96 PolarHBondContact OE1-CE1 2.94Å; E92-H96 IonicContact OE1-ND1 2.72Å
93H98.8Very high98.8Very high3 Ų349.4 Ų49.41%0.01424%0.237CC..Hα-helixtrans-70.8-41.8176.6-76.375.3000112.2F65 V68 I89 L90 K91 H96 G97 K98 I100F65-H93 AromaticContact CD2-NE2 3.89Å; F65-H93 PolarHBondContact N-NE2 2.6Å; F65-H93 PolarHBondContact O-CD2 2.86Å; V68-H93 HydrophobicContact CG2-CB 4.27Å; V68-H93 WeakPolarHBondContact CG2-CD2 3.35Å; V68-H93 WeakPolarHBondContact CG2-NE2 3.49Å; I89-H93 PolarHBondContact O-N 3.37Å; I89-H93 PolarHBondContact O-ND1 3.48Å; L90-H93 PolarHBondContact O-N 2.64Å; K91-H93 VanDerWaalsContact C-N 3.34Å; H93-H96 CarbonylContact O-C 3.6Å; H93-H96 PolarHBondContact O-N 3.06Å; H93-G97 PolarHBondContact O-N 3.42Å; H93-K98 HydrophobicContact CB-CB 3.98Å; H93-K98 WeakPolarHBondContact O-CB 3.32Å; H93-K98 PolarHBondContact O-N 2.97Å; H93-I100 HydrophobicContact CB-CD1 4.35Å; H93-I100 HydrophobicContact CB-CG1 4.32Å
94E98.7Very high98.7Very high79 Ų7949 Ų4937%0.36923%0.234SC..Hα-helixtrans-58.7-49.8174177.7177.4-133.900111L90 H96 G97 I100 A116L90-E94 WeakPolarHBondContact O-CB 3.19Å; L90-E94 PolarHBondContact O-N 3.23Å; E94-H96 PolarHBondContact O-N 3.17Å; E94-H96 VanDerWaalsContact O-N 3.12Å; E94-G97 PolarHBondContact O-N 3.33Å; E94-I100 HydrophobicContact CB-CD1 3.98Å; E94-A116 VanDerWaalsContact OE1-CA 3.29Å; E94-A116 WeakPolarHBondContact OE1-CA 3.35Å; E94-A116 PolarHBondContact OE1-N 2.82Å
95K98.4Very high98.7Very high156 Ų15640.6 Ų40.668%0.67820%0.195SC*.Hα-helixtrans-55.1-32.2178.1178.2-176.8170.6-1670113K91K91-K95 VanDerWaalsContact O-CB 3.27Å; K91-K95 WeakPolarHBondContact O-CB 3.27Å; K91-K95 PolarHBondContact O-N 3.36Å
96H98.6Very high98.7Very high92 Ų9238.3 Ų38.343%0.42618%0.184SC..THydrogen-bonded Turntrans-97.110.4-179.8-7086.2000114L64 E92 H93 E94 K98L64-H96 HydrophobicContact CD1-CB 4.01Å; L64-H96 HydrophobicContact CD2-CB 3.72Å; E92-H96 PolarHBondContact O-N 2.74Å; E92-H96 PolarHBondContact O-ND1 3.24Å; E92-H96 IonicContact OE1-CE1 3.28Å; E92-H96 PolarHBondContact OE1-CE1 2.94Å; E92-H96 IonicContact OE1-ND1 2.72Å; H93-H96 CarbonylContact O-C 3.6Å; H93-H96 PolarHBondContact O-N 3.06Å; E94-H96 PolarHBondContact O-N 3.17Å; E94-H96 VanDerWaalsContact O-N 3.12Å; H96-K98 VanDerWaalsContact C-N 3.25Å; H96-K98 HydrophobicContact CB-CG 4.2Å; H96-K98 PolarHBondContact O-N 3.04Å
97G98.3Very high98.7Very high39 Ų3938.3 Ų38.340%0.40218%0.184SC..THydrogen-bonded Turntrans64.728.3177.900000113.8H93 E94 K146H93-G97 PolarHBondContact O-N 3.42Å; E94-G97 PolarHBondContact O-N 3.33Å; G97-K146 WeakPolarHBondContact O-CE 3.33Å
98K98.7Very high98.7Very high50 Ų5038.9 Ų38.922%0.21719%0.186CC..  trans-83.5155.1175.5-58.6-54.5-160.4167.30110.6L64 F65 D66 H93 H96L64-K98 HydrophobicContact CD1-CG 3.84Å; L64-K98 HydrophobicContact CD2-CD 4.38Å; L64-K98 VanDerWaalsContact CD2-CE 3.42Å; L64-K98 HydrophobicContact CD2-CG 4.12Å; L64-K98 HydrophobicContact CG-CD 4.46Å; L64-K98 HydrophobicContact CG-CG 3.91Å; F65-K98 WeakPolarHBondContact O-CD 3.49Å; F65-K98 VanDerWaalsContact O-CG 3.25Å; F65-K98 WeakPolarHBondContact O-CG 3.45Å; D66-K98 IonicContact OD1-NZ 3.62Å; D66-K98 PolarHBondContact OD1-NZ 3.48Å; H93-K98 HydrophobicContact CB-CB 3.98Å; H93-K98 WeakPolarHBondContact O-CB 3.32Å; H93-K98 PolarHBondContact O-N 2.97Å; H96-K98 VanDerWaalsContact C-N 3.25Å; H96-K98 HydrophobicContact CB-CG 4.2Å; H96-K98 PolarHBondContact O-N 3.04Å
99Y98.9Very high98.7Very high40 Ų4032.7 Ų32.716%0.15716%0.159CC..EExtended strand (participates in β ladder)trans-71.2138.1178.8-71.2-77.4000110.7D66 L67 V68 K146 V148 L166 L167D66-Y99 PolarHBondContact O-N 2.91Å; L67-Y99 WeakPolarHBondContact CA-O 3.24Å; V68-Y99 PolarHBondContact N-O 3.04Å; Y99-K146 WeakPolarHBondContact CA-O 3.45Å; Y99-K146 HydrophobicContact CD1-CB 4.27Å; Y99-K146 HydrophobicContact CD1-CD 3.69Å; Y99-K146 HydrophobicContact CD2-CD 4.43Å; Y99-K146 HydrophobicContact CE1-CD 3.45Å; Y99-K146 VanDerWaalsContact CE1-CD 3.45Å; Y99-K146 HydrophobicContact CE2-CD 4.26Å; Y99-K146 HydrophobicContact CG-CD 4.17Å; Y99-K146 VanDerWaalsContact CZ-NZ 3.27Å; Y99-K146 PolarHBondContact OH-NZ 2.81Å; Y99-K146 VanDerWaalsContact OH-NZ 3.15Å; Y99-V148 HydrophobicContact CD1-CG2 4.35Å; Y99-L166 HydrophobicContact CE1-CB 4.42Å; Y99-L166 HydrophobicContact CE1-CD1 4.25Å; Y99-L166 HydrophobicContact CE1-CD2 4.46Å; Y99-L167 HydrophobicContact CD2-CD2 3.83Å; Y99-L167 HydrophobicContact CE2-CD2 4.17Å
100I99Very high98.7Very high7 Ų732.6 Ų32.64%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-121.8127.5170.9-64.1174.5000107L90 H93 E94 L110 I115 K146 L147 V148L90-I100 HydrophobicContact CB-CD1 4.42Å; L90-I100 HydrophobicContact CD2-CD1 4.39Å; L90-I100 HydrophobicContact CD2-CG2 3.87Å; L90-I100 WeakPolarHBondContact O-CD1 3.37Å; H93-I100 HydrophobicContact CB-CD1 4.35Å; H93-I100 HydrophobicContact CB-CG1 4.32Å; E94-I100 HydrophobicContact CB-CD1 3.98Å; I100-L110 HydrophobicContact CG2-CD2 3.71Å; I100-I115 HydrophobicContact CD1-CG2 3.58Å; I100-I115 HydrophobicContact CG2-CG2 4.44Å; I100-K146 PolarHBondContact N-O 3.33Å; I100-L147 WeakPolarHBondContact O-CA 3.2Å; I100-V148 PolarHBondContact O-N 3.26Å
101A99Very high98.7Very high0 Ų034.4 Ų34.40%017%0.167CC..EExtended strand (participates in β ladder)trans-129.6135.4-176.800000112.3L67 V68 V69 M70 V148 F159 L163L67-A101 HydrophobicContact CD1-CB 3.76Å; V68-A101 PolarHBondContact O-N 3.11Å; V69-A101 CarbonylContact C-O 3.55Å; V69-A101 WeakPolarHBondContact CA-O 3.29Å; M70-A101 PolarHBondContact N-O 3.21Å; A101-V148 CarbonylContact C-O 3.56Å; A101-V148 WeakPolarHBondContact CA-O 3.41Å; A101-V148 HydrophobicContact CB-CB 4.09Å; A101-F159 HydrophobicContact CB-CE2 3.93Å; A101-F159 HydrophobicContact CB-CZ 3.55Å; A101-L163 HydrophobicContact CB-CD1 4.26Å; A101-L163 HydrophobicContact CB-CD2 3.69Å
102A98.9Very high98.7Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-141.5136.9-178.500000111M70 A106 P107 L110 V148 T149 S150M70-A102 HydrophobicContact CB-CB 4.37Å; M70-A102 HydrophobicContact CE-CB 3.91Å; M70-A102 WeakPolarHBondContact O-CA 3.33Å; A102-A106 HydrophobicContact CB-CB 4.02Å; A102-P107 HydrophobicContact CB-CG 4.04Å; A102-L110 HydrophobicContact CB-CD1 3.96Å; A102-L110 HydrophobicContact CB-CG 4.36Å; A102-V148 PolarHBondContact N-O 3.2Å; A102-T149 HydrophobicContact CB-CG2 4.36Å; A102-T149 WeakPolarHBondContact O-CA 3.44Å; A102-T149 WeakPolarHBondContact O-CB 3.45Å; A102-S150 PolarHBondContact O-N 2.94Å; A102-S150 VanDerWaalsContact O-N 3.16Å
103I98.9Very high98.7Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-123.1150.3-178.8-178.9163.1000110.7E17 M70 G72 A105 A106 S150 A156 F159E17-I103 HydrophobicContact CB-CG2 4.12Å; E17-I103 HydrophobicContact CG-CD1 4.13Å; E17-I103 HydrophobicContact CG-CG1 4.36Å; E17-I103 HydrophobicContact CG-CG2 4.3Å; E17-I103 WeakPolarHBondContact OE2-CG2 3.32Å; M70-I103 PolarHBondContact O-N 3.23Å; M70-I103 VanDerWaalsContact O-N 3.14Å; G72-I103 WeakPolarHBondContact CA-O 3.33Å; G72-I103 PolarHBondContact N-O 3.32Å; I103-A105 PolarHBondContact O-N 2.89Å; I103-A106 VanDerWaalsContact O-CB 3.22Å; I103-A106 WeakPolarHBondContact O-CB 3.42Å; I103-A106 PolarHBondContact O-N 2.84Å; I103-A106 VanDerWaalsContact O-N 3.07Å; I103-S150 WeakPolarHBondContact CA-O 3.33Å; I103-A156 HydrophobicContact CD1-CB 4.22Å; I103-F159 HydrophobicContact CB-CD1 4.1Å; I103-F159 HydrophobicContact CB-CE1 3.88Å; I103-F159 HydrophobicContact CB-CZ 4.23Å; I103-F159 HydrophobicContact CD1-CB 4.14Å; I103-F159 HydrophobicContact CD1-CD1 3.83Å; I103-F159 HydrophobicContact CD1-CE1 4.46Å; I103-F159 HydrophobicContact CD1-CG 4.14Å; I103-F159 HydrophobicContact CG2-CD1 4.35Å; I103-F159 HydrophobicContact CG2-CE1 3.95Å
104C98.7Very high98.7Very high12 Ų1236.9 Ų36.98%0.08119%0.185CC..THydrogen-bonded Turntrans65.1-118.3170.8-169.70000112.2E17 P107 S123 Y124 S150 R151E17-C104 VanDerWaalsContact CD-CB 3.48Å; E17-C104 WeakPolarHBondContact OE1-CB 3.06Å; E17-C104 PolarHBondContact OE1-SG 3.05Å; E17-C104 VanDerWaalsContact OE2-CB 3.23Å; E17-C104 WeakPolarHBondContact OE2-CB 3.31Å; C104-P107 WeakPolarHBondContact O-CD 3.27Å; C104-S123 WeakPolarHBondContact O-CA 3.35Å; C104-S123 VanDerWaalsContact O-CB 3.31Å; C104-S123 WeakPolarHBondContact O-CB 3.47Å; C104-Y124 PolarHBondContact O-N 3.02Å; C104-S150 PolarHBondContact N-O 2.72Å; C104-R151 WeakPolarHBondContact CA-O 3.4Å
105A98.4Very high98.7Very high3 Ų333.1 Ų33.13%0.02517%0.168CC..THydrogen-bonded Turntrans-82.4-15.4177.600000113.3M74 S77 I103 P107 I108 F127M74-A105 HydrophobicContact SD-CB 4Å; S77-A105 WeakPolarHBondContact OG-CB 3.49Å; I103-A105 PolarHBondContact O-N 2.89Å; A105-P107 VanDerWaalsContact C-N 3.32Å; A105-I108 VanDerWaalsContact O-CG1 3.28Å; A105-I108 WeakPolarHBondContact O-CG1 3.23Å; A105-I108 WeakPolarHBondContact O-CG2 3.47Å; A105-I108 PolarHBondContact O-N 2.96Å; A105-F127 HydrophobicContact CB-CD1 4.49Å; A105-F127 HydrophobicContact CB-CE1 3.99Å; A105-F127 HydrophobicContact CB-CE2 4.16Å; A105-F127 HydrophobicContact CB-CZ 3.81Å
106A98.8Very high98.7Very high0 Ų026.5 Ų26.50%014%0.142CC..THydrogen-bonded Turntrans-58.7-28.2-17700000116.1M70 P71 S77 M80 A102 I103 I108 A109M70-A106 HydrophobicContact CB-CB 3.81Å; M70-A106 VanDerWaalsContact O-CB 3.3Å; M70-A106 WeakPolarHBondContact O-CB 3Å; P71-A106 WeakPolarHBondContact O-CB 3.24Å; S77-A106 PolarHBondContact OG-N 3.14Å; M80-A106 HydrophobicContact CE-CB 4.19Å; A102-A106 HydrophobicContact CB-CB 4.02Å; I103-A106 VanDerWaalsContact O-CB 3.22Å; I103-A106 WeakPolarHBondContact O-CB 3.42Å; I103-A106 PolarHBondContact O-N 2.84Å; I103-A106 VanDerWaalsContact O-N 3.07Å; A106-I108 PolarHBondContact O-N 3.13Å; A106-A109 WeakPolarHBondContact O-CB 3.32Å; A106-A109 PolarHBondContact O-N 3.3Å
107P98.8Very high98.7Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-54.5-22.5174.8-30.338.3000115A102 C104 A105 A109 L110 E111 L131 T149A102-P107 HydrophobicContact CB-CG 4.04Å; C104-P107 WeakPolarHBondContact O-CD 3.27Å; A105-P107 VanDerWaalsContact C-N 3.32Å; P107-A109 PolarHBondContact O-N 3.17Å; P107-L110 HydrophobicContact CB-CD1 4.27Å; P107-L110 WeakPolarHBondContact O-CA 3.35Å; P107-L110 VanDerWaalsContact O-CB 3.23Å; P107-L110 WeakPolarHBondContact O-CB 3.5Å; P107-L110 PolarHBondContact O-N 2.89Å; P107-E111 PolarHBondContact O-N 2.78Å; P107-L131 HydrophobicContact CB-CD1 3.93Å; P107-L131 HydrophobicContact CB-CD2 4.13Å; P107-L131 WeakPolarHBondContact O-CD2 3.36Å; P107-T149 HydrophobicContact CG-CG2 4.35Å
108I98.6Very high98.7Very high14 Ų1427.1 Ų27.17%0.07215%0.152CC..Hα-helixtrans-61.7-27.5174.173.4-174.1000112.4A81 A105 A106 L110 E111 S112 F127 Q130 L131A81-I108 HydrophobicContact CB-CG1 4.24Å; A105-I108 VanDerWaalsContact O-CG1 3.28Å; A105-I108 WeakPolarHBondContact O-CG1 3.23Å; A105-I108 WeakPolarHBondContact O-CG2 3.47Å; A105-I108 PolarHBondContact O-N 2.96Å; A106-I108 PolarHBondContact O-N 3.13Å; I108-L110 VanDerWaalsContact C-N 3.29Å; I108-E111 PolarHBondContact O-N 3.39Å; I108-S112 PolarHBondContact O-N 3.12Å; I108-F127 HydrophobicContact CG2-CD1 3.76Å; I108-F127 HydrophobicContact CG2-CE1 4.44Å; I108-Q130 HydrophobicContact CG2-CB 4.18Å; I108-L131 HydrophobicContact CG2-CD2 4.4Å
109A98.8Very high98.7Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-69.5-30.2173.900000111.5M70 M80 A81 A106 P107 H113M70-A109 HydrophobicContact CE-CB 4.31Å; M70-A109 HydrophobicContact SD-CB 4.08Å; M80-A109 HydrophobicContact CB-CB 4.07Å; A81-A109 HydrophobicContact CB-CB 4.1Å; A106-A109 WeakPolarHBondContact O-CB 3.32Å; A106-A109 PolarHBondContact O-N 3.3Å; P107-A109 PolarHBondContact O-N 3.17Å; A109-H113 WeakPolarHBondContact O-CB 3.31Å; A109-H113 PolarHBondContact O-CD2 3.11Å; A109-H113 PolarHBondContact O-N 3.21Å
110L98.9Very high98.7Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-65.9-46.1173.8-55.5171.5000110.5M70 I100 A102 P107 I108 H113 K114 I115 L121 Y134 L147 T149M70-L110 HydrophobicContact CE-CD2 3.47Å; M70-L110 VanDerWaalsContact CE-CD2 3.47Å; M70-L110 HydrophobicContact CE-CG 3.95Å; I100-L110 HydrophobicContact CG2-CD2 3.71Å; A102-L110 HydrophobicContact CB-CD1 3.96Å; A102-L110 HydrophobicContact CB-CG 4.36Å; P107-L110 HydrophobicContact CB-CD1 4.27Å; P107-L110 WeakPolarHBondContact O-CA 3.35Å; P107-L110 VanDerWaalsContact O-CB 3.23Å; P107-L110 WeakPolarHBondContact O-CB 3.5Å; P107-L110 PolarHBondContact O-N 2.89Å; I108-L110 VanDerWaalsContact C-N 3.29Å; L110-H113 PolarHBondContact O-N 3.23Å; L110-K114 WeakPolarHBondContact O-CA 3.31Å; L110-K114 PolarHBondContact O-N 2.7Å; L110-I115 HydrophobicContact CB-CB 4.31Å; L110-I115 HydrophobicContact CD2-CB 3.96Å; L110-I115 HydrophobicContact CD2-CG1 4.43Å; L110-I115 HydrophobicContact CD2-CG2 3.95Å; L110-I115 PolarHBondContact O-N 2.93Å; L110-L121 HydrophobicContact CD1-CD2 4.44Å; L110-Y134 VanDerWaalsContact CB-OH 3.32Å; L110-Y134 WeakPolarHBondContact CB-OH 3.22Å; L110-Y134 PolarHBondContact O-OH 3.22Å; L110-Y134 VanDerWaalsContact O-OH 3.06Å; L110-L147 HydrophobicContact CD1-CD1 3.69Å; L110-L147 HydrophobicContact CD2-CD1 4.43Å; L110-T149 HydrophobicContact CD1-CG2 4.18Å
111E98.7Very high98.7Very high39 Ų3930 Ų3018%0.18216%0.162CC..Hα-helixtrans-56.8-52.8173.7-175.374.8-147.500110.9P107 I108 H113 K114 Q130 L131 S133 Y134P107-E111 PolarHBondContact O-N 2.78Å; I108-E111 PolarHBondContact O-N 3.39Å; E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.87Å; E111-K114 PolarHBondContact O-N 2.86Å; E111-K114 VanDerWaalsContact O-N 3.13Å; E111-Q130 WeakPolarHBondContact CG-O 3.43Å; E111-L131 HydrophobicContact CB-CD2 3.97Å; E111-L131 WeakPolarHBondContact OE2-CA 3.41Å; E111-S133 WeakPolarHBondContact OE1-CB 3.49Å; E111-S133 PolarHBondContact OE1-OG 3.22Å; E111-S133 VanDerWaalsContact OE2-CB 3.29Å; E111-S133 WeakPolarHBondContact OE2-CB 3.34Å; E111-S133 PolarHBondContact OE2-N 3.24Å; E111-S133 PolarHBondContact OE2-OG 2.95Å; E111-Y134 HydrophobicContact CB-CE2 4.11Å; E111-Y134 PolarHBondContact N-OH 3.33Å; E111-Y134 WeakPolarHBondContact OE2-CD2 3.47Å; E111-Y134 WeakPolarHBondContact OE2-CE2 3.04Å
112S98.7Very high98.7Very high67 Ų6730 Ų3047%0.46916%0.162SC..Hα-helixtrans-55.6-42.2-179.5-172.10000112.6A81 I108A81-S112 WeakPolarHBondContact O-CB 3.46Å; A81-S112 PolarHBondContact O-OG 2.87Å; I108-S112 PolarHBondContact O-N 3.12Å
113H98.8Very high98.7Very high17 Ų1730 Ų308%0.07916%0.162CC..Hα-helixtrans-920.6-176.5-64.3-52.3000114.4M80 A81 S83 G87 L90 K91 A109 L110 E111 I115M80-H113 PolarHBondContact O-NE2 3.41Å; A81-H113 PolarHBondContact O-CE1 3.32Å; A81-H113 PolarHBondContact O-NE2 3.1Å; S83-H113 PolarHBondContact O-CE1 3.2Å; S83-H113 PolarHBondContact O-NE2 3.38Å; G87-H113 VanDerWaalsContact CA-ND1 3.3Å; G87-H113 WeakPolarHBondContact CA-ND1 3.43Å; L90-H113 HydrophobicContact CD1-CB 4.43Å; K91-H113 WeakPolarHBondContact CE-O 3.48Å; A109-H113 WeakPolarHBondContact O-CB 3.31Å; A109-H113 PolarHBondContact O-CD2 3.11Å; A109-H113 PolarHBondContact O-N 3.21Å; L110-H113 PolarHBondContact O-N 3.23Å; E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.87Å; H113-I115 HydrophobicContact CB-CD1 4.16Å; H113-I115 HydrophobicContact CB-CG1 3.83Å
114K98.7Very high98.7Very high160 Ų16035.2 Ų35.270%0.69618%0.183SC*.THydrogen-bonded Turntrans58.646.5-179.2-53.9-176.5-178.9-175.30114L110 E111 I117L110-K114 WeakPolarHBondContact O-CA 3.31Å; L110-K114 PolarHBondContact O-N 2.7Å; E111-K114 PolarHBondContact O-N 2.86Å; E111-K114 VanDerWaalsContact O-N 3.13Å; K114-I117 HydrophobicContact CB-CD1 4.39Å; K114-I117 HydrophobicContact CB-CG1 4.15Å
115I98.9Very high98.6Very high0 Ų038 Ų380%020%0.201CC..  trans-94.7130.6-176-54.8-59000110.3L90 K91 I100 L110 H113 I117 Y134L90-I115 HydrophobicContact CB-CD1 3.59Å; L90-I115 HydrophobicContact CB-CG1 3.8Å; L90-I115 HydrophobicContact CD1-CG1 4.06Å; K91-I115 HydrophobicContact CG-CD1 3.67Å; I100-I115 HydrophobicContact CD1-CG2 3.58Å; I100-I115 HydrophobicContact CG2-CG2 4.44Å; L110-I115 HydrophobicContact CB-CB 4.31Å; L110-I115 HydrophobicContact CD2-CB 3.96Å; L110-I115 HydrophobicContact CD2-CG1 4.43Å; L110-I115 HydrophobicContact CD2-CG2 3.95Å; L110-I115 PolarHBondContact O-N 2.93Å; H113-I115 HydrophobicContact CB-CD1 4.16Å; H113-I115 HydrophobicContact CB-CG1 3.83Å; I115-I117 VanDerWaalsContact C-N 3.25Å; I115-I117 PolarHBondContact O-N 2.63Å; I115-Y134 VanDerWaalsContact O-CE1 3.31Å; I115-Y134 WeakPolarHBondContact O-CE1 3.33Å; I115-Y134 PolarHBondContact O-OH 2.84Å
116A98.3Very high98.5Very high16 Ų1640.4 Ų40.413%0.13223%0.225CC..SBendtrans56.637.6172.900000113.6E94 K119 Y134 L147E94-A116 VanDerWaalsContact OE1-CA 3.29Å; E94-A116 WeakPolarHBondContact OE1-CA 3.35Å; E94-A116 PolarHBondContact OE1-N 2.82Å; A116-K119 HydrophobicContact CB-CB 4.48Å; A116-K119 HydrophobicContact CB-CG 4.02Å; A116-K119 WeakPolarHBondContact O-CB 3.38Å; A116-K119 WeakPolarHBondContact O-CG 3.47Å; A116-K119 PolarHBondContact O-N 3.23Å; A116-Y134 WeakPolarHBondContact O-CE1 3.26Å; A116-L147 HydrophobicContact CB-CB 4.17Å; A116-L147 HydrophobicContact CB-CD1 4.38Å; A116-L147 HydrophobicContact CB-CD2 3.92Å; A116-L147 HydrophobicContact CB-CG 4.38Å
117I98.3Very high98.3Very high86 Ų8641.6 Ų41.644%0.44123%0.231SC..THydrogen-bonded Turntrans-58.2138.1-176.2-63.4-68.5000111.5K114 I115 K119 S133 Y134K114-I117 HydrophobicContact CB-CD1 4.39Å; K114-I117 HydrophobicContact CB-CG1 4.15Å; I115-I117 VanDerWaalsContact C-N 3.25Å; I115-I117 PolarHBondContact O-N 2.63Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 2.93Å; I117-S133 VanDerWaalsContact CD1-CB 3.42Å; I117-Y134 HydrophobicContact CD1-CE1 4.38Å; I117-Y134 HydrophobicContact CD1-CE2 4.41Å
118G98.4Very high98.2Very high58 Ų5845.4 Ų45.460%0.59825%0.248SC*.THydrogen-bonded Turntrans83-7.9-177.700000115S133G118-S133 WeakPolarHBondContact CA-O 3.4Å; G118-S133 PolarHBondContact N-O 2.93Å
119K98.6Very high98.1Very high63 Ų6351.4 Ų51.427%0.27428%0.281SS..  trans-73.6166.8175.8-62.8-72.5-170.1166.80111.8A116 I117 Y134 K135 D144 D145 L147A116-K119 HydrophobicContact CB-CB 4.48Å; A116-K119 HydrophobicContact CB-CG 4.02Å; A116-K119 WeakPolarHBondContact O-CB 3.38Å; A116-K119 WeakPolarHBondContact O-CG 3.47Å; A116-K119 PolarHBondContact O-N 3.23Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 2.93Å; K119-Y134 WeakPolarHBondContact O-CA 3.45Å; K119-Y134 WeakPolarHBondContact O-CB 3.37Å; K119-K135 PolarHBondContact O-N 3.33Å; K119-D144 HydrophobicContact CB-CB 4.29Å; K119-D144 HydrophobicContact CD-CB 4.4Å; K119-D144 WeakPolarHBondContact CD-OD1 3.11Å; K119-D144 IonicContact NZ-OD1 2.64Å; K119-D145 IonicContact NZ-OD2 3.37Å; K119-D145 PolarHBondContact NZ-OD2 3.07Å; K119-L147 HydrophobicContact CB-CD2 4.02Å
120R98.8Very high98.1Very high96 Ų9655.8 Ų55.836%0.36230%0.301SS..EExtended strand (participates in β ladder)trans-78.8140.8169.2-63.7169.658-169.2-5.4111.2K135 C137 D139 V142 D144R120-K135 VanDerWaalsContact CA-O 3.28Å; R120-K135 WeakPolarHBondContact CA-O 3.22Å; R120-K135 HydrophobicContact CG-CB 3.99Å; R120-K135 HydrophobicContact CG-CD 3.95Å; R120-K135 HydrophobicContact CG-CG 4.11Å; R120-C137 PolarHBondContact NE-SG 2.96Å; R120-D139 IonicContact NH2-OD2 3.71Å; R120-V142 HydrophobicContact CB-CG1 3.89Å; R120-D144 HydrophobicContact CB-CB 4.08Å; R120-D144 WeakPolarHBondContact CB-OD2 3.38Å; R120-D144 PolarHBondContact N-OD2 3.23Å
121L98.9Very high98.1Very high0 Ų056 Ų560%030%0.302CS..EExtended strand (participates in β ladder)trans-150.2173.4169.562.170.6000112L110 L131 Y134 K135 Y136 C137 L147 T149L110-L121 HydrophobicContact CD1-CD2 4.44Å; L121-L131 HydrophobicContact CD1-CB 4.41Å; L121-L131 HydrophobicContact CD1-CD1 3.66Å; L121-Y134 HydrophobicContact CD2-CD1 3.42Å; L121-Y134 VanDerWaalsContact CD2-CD1 3.42Å; L121-Y134 HydrophobicContact CD2-CD2 3.54Å; L121-Y134 HydrophobicContact CD2-CE1 3.76Å; L121-Y134 HydrophobicContact CD2-CE2 3.85Å; L121-Y134 HydrophobicContact CD2-CG 3.29Å; L121-Y134 HydrophobicContact CG-CD1 4.06Å; L121-Y134 HydrophobicContact CG-CD2 4.3Å; L121-Y134 HydrophobicContact CG-CG 3.76Å; L121-K135 PolarHBondContact N-O 3.05Å; L121-Y136 HydrophobicContact CD1-CD2 3.89Å; L121-Y136 HydrophobicContact CD1-CE2 4.23Å; L121-Y136 CarbonylContact O-C 3.59Å; L121-Y136 WeakPolarHBondContact O-CA 3.46Å; L121-C137 PolarHBondContact O-N 3.33Å; L121-L147 HydrophobicContact CB-CD2 4.19Å; L121-L147 HydrophobicContact CD2-CD2 4.49Å; L121-T149 VanDerWaalsContact CA-OG1 3.28Å; L121-T149 WeakPolarHBondContact CA-OG1 3.26Å; L121-T149 HydrophobicContact CB-CG2 3.85Å; L121-T149 WeakPolarHBondContact CB-OG1 3.25Å
122T98.8Very high98Very high0 Ų058.9 Ų58.90%033%0.325CS..  trans-129.4167164.8-1740000109.6C137 D139 V142 T149 R151T122-C137 WeakPolarHBondContact CB-O 3.18Å; T122-C137 PolarHBondContact OG1-O 3.28Å; T122-D139 WeakPolarHBondContact CG2-O 3.44Å; T122-V142 HydrophobicContact CG2-CB 4.23Å; T122-V142 HydrophobicContact CG2-CG2 3.7Å; T122-T149 PolarHBondContact N-OG1 3.2Å; T122-T149 WeakPolarHBondContact O-CB 3.31Å; T122-R151 HydrophobicContact CG2-CG 3.88Å; T122-R151 WeakPolarHBondContact OG1-CD 3.25Å; T122-R151 VanDerWaalsContact OG1-CG 3.31Å; T122-R151 WeakPolarHBondContact OG1-CG 3.4Å
123S98.8Very high98Very high0 Ų057.8 Ų57.80%032%0.317CS..  trans-145-172.7169.166.70000110.9C104 F127 Y136 R151C104-S123 WeakPolarHBondContact O-CA 3.35Å; C104-S123 VanDerWaalsContact O-CB 3.31Å; C104-S123 WeakPolarHBondContact O-CB 3.47Å; S123-F127 WeakPolarHBondContact OG-CB 3.44Å; S123-Y136 PolarHBondContact N-OH 3.37Å; S123-Y136 PolarHBondContact O-OH 2.87Å; S123-Y136 VanDerWaalsContact OG-CE2 3.27Å; S123-Y136 WeakPolarHBondContact OG-CE2 3.3Å; S123-Y136 PolarHBondContact OG-OH 3.02Å; S123-Y136 VanDerWaalsContact OG-OH 3.05Å; S123-R151 PolarHBondContact O-NE 2.84Å
124Y98.6Very high98Very high109 Ų10958 Ų5843%0.42732%0.317SS..SBendtrans-57.6140.1165.4-166.3-92.5000110.3C104 G126 F127 R151C104-Y124 PolarHBondContact O-N 3.02Å; Y124-G126 PolarHBondContact O-N 3.13Å; Y124-F127 HydrophobicContact CD1-CD2 4.17Å; Y124-F127 HydrophobicContact CD1-CE2 4Å; Y124-F127 HydrophobicContact CG-CD2 4.48Å; Y124-F127 HydrophobicContact CG-CE2 4.45Å; Y124-F127 PolarHBondContact O-N 3.25Å; Y124-R151 WeakPolarHBondContact CA-O 3.02Å; Y124-R151 WeakPolarHBondContact CB-O 3.43Å; Y124-R151 VanDerWaalsContact CD2-O 3.26Å; Y124-R151 WeakPolarHBondContact CD2-O 3.45Å; Y124-R151 PolarHBondContact N-O 2.99Å
125P97.8Very high98Very high70 Ų7056.9 Ų56.946%0.45531%0.312SS..THydrogen-bonded Turntrans-49.8131.5174.8-24.431000112
126G95.3Very high98Very high53 Ų5359.5 Ų59.555%0.54632%0.322SS..THydrogen-bonded Turntrans95.4-4.3-179.500000116Y124Y124-G126 PolarHBondContact O-N 3.13Å
127F95.8Very high98Very high26 Ų2659.5 Ų59.511%0.11432%0.321CS..  trans-96.5-4174.3-74.6-92.3000114.4M74 A105 I108 S123 Y124 D129 Q130M74-F127 HydrophobicContact CE-CE1 4.21Å; M74-F127 HydrophobicContact CE-CZ 4.32Å; M74-F127 HydrophobicContact CG-CZ 4.33Å; M74-F127 HydrophobicContact SD-CE1 3.49Å; M74-F127 WeakPolarHBondContact SD-CE1 3.3Å; M74-F127 HydrophobicContact SD-CZ 3.31Å; M74-F127 WeakPolarHBondContact SD-CZ 3.37Å; A105-F127 HydrophobicContact CB-CD1 4.49Å; A105-F127 HydrophobicContact CB-CE1 3.99Å; A105-F127 HydrophobicContact CB-CE2 4.16Å; A105-F127 HydrophobicContact CB-CZ 3.81Å; I108-F127 HydrophobicContact CG2-CD1 3.76Å; I108-F127 HydrophobicContact CG2-CE1 4.44Å; S123-F127 WeakPolarHBondContact OG-CB 3.44Å; Y124-F127 HydrophobicContact CD1-CD2 4.17Å; Y124-F127 HydrophobicContact CD1-CE2 4Å; Y124-F127 HydrophobicContact CG-CD2 4.48Å; Y124-F127 HydrophobicContact CG-CE2 4.45Å; Y124-F127 PolarHBondContact O-N 3.25Å; F127-D129 VanDerWaalsContact C-N 3.27Å; F127-D129 PolarHBondContact O-N 3.3Å; F127-Q130 VanDerWaalsContact CD1-NE2 3.31Å; F127-Q130 WeakPolarHBondContact O-CB 3.42Å; F127-Q130 PolarHBondContact O-N 3.02Å
128Q95.9Very high98Very high79 Ų7961.8 Ų61.837%0.36933%0.33SS..G310 helixtrans-53.7-38.9-177.965.3-147.8-9.300113.9Q130 L131 Y136Q128-Q130 PolarHBondContact O-N 3.08Å; Q128-L131 PolarHBondContact O-N 3.42Å; Q128-Y136 HydrophobicContact CB-CD1 4.03Å; Q128-Y136 HydrophobicContact CB-CD2 3.82Å; Q128-Y136 HydrophobicContact CB-CE1 3.96Å; Q128-Y136 HydrophobicContact CB-CE2 3.75Å; Q128-Y136 HydrophobicContact CB-CG 3.96Å
129D97.1Very high98Very high140 Ų14063.1 Ų63.175%0.74932%0.324SS*.G310 helixtrans-70-17.3-179.2-60.1-25.9000112.7F127 L131F127-D129 VanDerWaalsContact C-N 3.27Å; F127-D129 PolarHBondContact O-N 3.3Å; D129-L131 VanDerWaalsContact C-N 3.33Å
130Q97.8Very high98Very high93 Ų9364.9 Ų64.944%0.43534%0.336SS..G310 helixtrans-89.50.8174.4-62.1178.457.800112.6I108 E111 F127 Q128 P132I108-Q130 HydrophobicContact CG2-CB 4.18Å; E111-Q130 WeakPolarHBondContact CG-O 3.43Å; F127-Q130 VanDerWaalsContact CD1-NE2 3.31Å; F127-Q130 WeakPolarHBondContact O-CB 3.42Å; F127-Q130 PolarHBondContact O-N 3.02Å; Q128-Q130 PolarHBondContact O-N 3.08Å; Q130-P132 WeakPolarHBondContact O-CD 3.34Å
131L98.4Very high98Very high3 Ų361.9 Ų61.92%0.01633%0.329CS..  trans-123.347.8-176.4-57.8171.5000111.8P107 I108 E111 L121 Q128 D129 S133 Y134 Y136P107-L131 HydrophobicContact CB-CD1 3.93Å; P107-L131 HydrophobicContact CB-CD2 4.13Å; P107-L131 WeakPolarHBondContact O-CD2 3.36Å; I108-L131 HydrophobicContact CG2-CD2 4.4Å; E111-L131 HydrophobicContact CB-CD2 3.97Å; E111-L131 WeakPolarHBondContact OE2-CA 3.41Å; L121-L131 HydrophobicContact CD1-CB 4.41Å; L121-L131 HydrophobicContact CD1-CD1 3.66Å; Q128-L131 PolarHBondContact O-N 3.42Å; D129-L131 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 2.94Å; L131-Y134 HydrophobicContact CB-CD2 4.09Å; L131-Y134 HydrophobicContact CD2-CE2 4.42Å; L131-Y134 PolarHBondContact O-N 3.06Å; L131-Y136 HydrophobicContact CD1-CD2 4.41Å; L131-Y136 HydrophobicContact CD1-CE2 4.14Å
132P98.2Very high98Very high101 Ų10162 Ų6266%0.65633%0.329SS*.THydrogen-bonded Turntrans-66.6-18.8-172.630.7-38.8000113.6Q130 Y134Q130-P132 WeakPolarHBondContact O-CD 3.34Å; P132-Y134 PolarHBondContact O-N 3.34Å
133S98.5Very high98Very high44 Ų4464.7 Ų64.731%0.30835%0.346SS..THydrogen-bonded Turntrans-82.14.6-177.1-61.80000113.8E111 I117 G118 L131E111-S133 WeakPolarHBondContact OE1-CB 3.49Å; E111-S133 PolarHBondContact OE1-OG 3.22Å; E111-S133 VanDerWaalsContact OE2-CB 3.29Å; E111-S133 WeakPolarHBondContact OE2-CB 3.34Å; E111-S133 PolarHBondContact OE2-N 3.24Å; E111-S133 PolarHBondContact OE2-OG 2.95Å; I117-S133 VanDerWaalsContact CD1-CB 3.42Å; G118-S133 WeakPolarHBondContact CA-O 3.4Å; G118-S133 PolarHBondContact N-O 2.93Å; L131-S133 PolarHBondContact O-N 2.94Å
134Y98.6Very high98Very high21 Ų2166.6 Ų66.68%0.08236%0.355CS..SBendtrans-130.2160.8-172.7-55.1-87.3000113.5L110 E111 I115 A116 I117 K119 L121 L131 P132 Y136L110-Y134 VanDerWaalsContact CB-OH 3.32Å; L110-Y134 WeakPolarHBondContact CB-OH 3.22Å; L110-Y134 PolarHBondContact O-OH 3.22Å; L110-Y134 VanDerWaalsContact O-OH 3.06Å; E111-Y134 HydrophobicContact CB-CE2 4.11Å; E111-Y134 PolarHBondContact N-OH 3.33Å; E111-Y134 WeakPolarHBondContact OE2-CD2 3.47Å; E111-Y134 WeakPolarHBondContact OE2-CE2 3.04Å; I115-Y134 VanDerWaalsContact O-CE1 3.31Å; I115-Y134 WeakPolarHBondContact O-CE1 3.33Å; I115-Y134 PolarHBondContact O-OH 2.84Å; A116-Y134 WeakPolarHBondContact O-CE1 3.26Å; I117-Y134 HydrophobicContact CD1-CE1 4.38Å; I117-Y134 HydrophobicContact CD1-CE2 4.41Å; K119-Y134 WeakPolarHBondContact O-CA 3.45Å; K119-Y134 WeakPolarHBondContact O-CB 3.37Å; L121-Y134 HydrophobicContact CD2-CD1 3.42Å; L121-Y134 VanDerWaalsContact CD2-CD1 3.42Å; L121-Y134 HydrophobicContact CD2-CD2 3.54Å; L121-Y134 HydrophobicContact CD2-CE1 3.76Å; L121-Y134 HydrophobicContact CD2-CE2 3.85Å; L121-Y134 HydrophobicContact CD2-CG 3.29Å; L121-Y134 HydrophobicContact CG-CD1 4.06Å; L121-Y134 HydrophobicContact CG-CD2 4.3Å; L121-Y134 HydrophobicContact CG-CG 3.76Å; L131-Y134 HydrophobicContact CB-CD2 4.09Å; L131-Y134 HydrophobicContact CD2-CE2 4.42Å; L131-Y134 PolarHBondContact O-N 3.06Å; P132-Y134 PolarHBondContact O-N 3.34Å; Y134-Y136 PolarHBondContact O-N 3.3Å
135K98.5Very high98Very high137 Ų13766.3 Ų66.360%0.59636%0.361SS*.EExtended strand (participates in β ladder)trans-8695.8168.8-177.6173.2176.1179.10110K119 R120 L121K119-K135 PolarHBondContact O-N 3.33Å; R120-K135 VanDerWaalsContact CA-O 3.28Å; R120-K135 WeakPolarHBondContact CA-O 3.22Å; R120-K135 HydrophobicContact CG-CB 3.99Å; R120-K135 HydrophobicContact CG-CD 3.95Å; R120-K135 HydrophobicContact CG-CG 4.11Å; L121-K135 PolarHBondContact N-O 3.05Å
136Y98.6Very high98Very high54 Ų5466.4 Ų66.421%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-64.2137.3-178.7-159.7-94.5000112.4L121 S123 Q128 L131 Y134 E138L121-Y136 HydrophobicContact CD1-CD2 3.89Å; L121-Y136 HydrophobicContact CD1-CE2 4.23Å; L121-Y136 CarbonylContact O-C 3.59Å; L121-Y136 WeakPolarHBondContact O-CA 3.46Å; S123-Y136 PolarHBondContact N-OH 3.37Å; S123-Y136 PolarHBondContact O-OH 2.87Å; S123-Y136 VanDerWaalsContact OG-CE2 3.27Å; S123-Y136 WeakPolarHBondContact OG-CE2 3.3Å; S123-Y136 PolarHBondContact OG-OH 3.02Å; S123-Y136 VanDerWaalsContact OG-OH 3.05Å; Q128-Y136 HydrophobicContact CB-CD1 4.03Å; Q128-Y136 HydrophobicContact CB-CD2 3.82Å; Q128-Y136 HydrophobicContact CB-CE1 3.96Å; Q128-Y136 HydrophobicContact CB-CE2 3.75Å; Q128-Y136 HydrophobicContact CB-CG 3.96Å; L131-Y136 HydrophobicContact CD1-CD2 4.41Å; L131-Y136 HydrophobicContact CD1-CE2 4.14Å; Y134-Y136 PolarHBondContact O-N 3.3Å; Y136-E138 HydrophobicContact CE1-CG 4.37Å
137C98.5Very high98.2Very high16 Ų1664 Ų6411%0.10833%0.33CS..  trans-130.1154.5177-58.20000108.9R120 L121 T122 V142R120-C137 PolarHBondContact NE-SG 2.96Å; L121-C137 PolarHBondContact O-N 3.33Å; T122-C137 WeakPolarHBondContact CB-O 3.18Å; T122-C137 PolarHBondContact OG1-O 3.28Å; C137-V142 HydrophobicContact CB-CG2 3.69Å
138E98.1Very high98.3Very high134 Ų13462.8 Ų62.863%0.62632%0.324SS*.  trans-104.33.2-179.7-64.1-160.5128.100114Y136 R151Y136-E138 HydrophobicContact CE1-CG 4.37Å; E138-R151 WeakPolarHBondContact O-CD 3.36Å; E138-R151 PolarHBondContact O-NH1 3.22Å
139D98.6Very high98.5Very high86 Ų8659 Ų5946%0.4631%0.307SS..SBendtrans-59146.1175.6-58.3-68.6000111.1R120 T122 V141 V142 R151R120-D139 IonicContact NH2-OD2 3.71Å; T122-D139 WeakPolarHBondContact CG2-O 3.44Å; D139-V141 PolarHBondContact O-N 3.34Å; D139-V142 HydrophobicContact CB-CG2 3.97Å; D139-R151 WeakPolarHBondContact O-CD 3.43Å
140N98.3Very high98.6Very high100 Ų10052.4 Ų52.454%0.53527%0.271SS..SBendtrans-58.5-36.1178.6-78.2-14.1000112.8S150 T155N140-S150 WeakPolarHBondContact O-CA 3.04Å; N140-S150 PolarHBondContact O-OG 3.28Å; N140-T155 HydrophobicContact CB-CG2 3.85Å
141V98.8Very high98.6Very high34 Ų3449.8 Ų49.821%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-137126.3175.5-175.80000108.7D139 V143 V148 T149 A158 F159 K162D139-V141 PolarHBondContact O-N 3.34Å; V141-V143 HydrophobicContact CG1-CG2 4.46Å; V141-V148 HydrophobicContact CG1-CG1 4.16Å; V141-T149 CarbonylContact C-O 3.54Å; V141-T149 WeakPolarHBondContact CA-O 3.49Å; V141-A158 HydrophobicContact CG2-CB 3.91Å; V141-F159 HydrophobicContact CG1-CD2 4.46Å; V141-F159 HydrophobicContact CG2-CB 4.28Å; V141-K162 HydrophobicContact CG1-CB 4.01Å; V141-K162 HydrophobicContact CG1-CG 3.93Å
142V98.9Very high98.6Very high3 Ų349.9 Ų49.92%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-112.8128.2177.2179.10000108.5R120 T122 C137 D139 V148 T149R120-V142 HydrophobicContact CB-CG1 3.89Å; T122-V142 HydrophobicContact CG2-CB 4.23Å; T122-V142 HydrophobicContact CG2-CG2 3.7Å; C137-V142 HydrophobicContact CB-CG2 3.69Å; D139-V142 HydrophobicContact CB-CG2 3.97Å; V142-V148 CarbonylContact O-C 3.57Å; V142-V148 WeakPolarHBondContact O-CA 3.23Å; V142-T149 PolarHBondContact N-O 3.38Å; V142-T149 PolarHBondContact O-N 2.91Å
143V98.9Very high98.6Very high56 Ų5647 Ų4734%0.33924%0.241SC..EExtended strand (participates in β ladder)trans-118.4124.1172.1-177.70000107.9V141 L147 V148 K162 L166V141-V143 HydrophobicContact CG1-CG2 4.46Å; V143-L147 WeakPolarHBondContact CA-O 3.15Å; V143-V148 HydrophobicContact CG1-CG2 4.36Å; V143-V148 HydrophobicContact CG2-CG1 3.95Å; V143-V148 HydrophobicContact CG2-CG2 4.35Å; V143-K162 HydrophobicContact CG2-CD 4.02Å; V143-K162 HydrophobicContact CG2-CG 3.71Å; V143-L166 HydrophobicContact CG1-CD1 4.28Å; V143-L166 HydrophobicContact CG2-CD1 4.31Å
144D98.8Very high98.6Very high39 Ų3949 Ų4921%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-134101.4170.9-167.6-22.5000108.3K119 R120 K146 L147K119-D144 HydrophobicContact CB-CB 4.29Å; K119-D144 HydrophobicContact CD-CB 4.4Å; K119-D144 WeakPolarHBondContact CD-OD1 3.11Å; K119-D144 IonicContact NZ-OD1 2.64Å; R120-D144 HydrophobicContact CB-CB 4.08Å; R120-D144 WeakPolarHBondContact CB-OD2 3.38Å; R120-D144 PolarHBondContact N-OD2 3.23Å; D144-K146 PolarHBondContact O-N 3.22Å; D144-K146 VanDerWaalsContact O-N 3.15Å; D144-L147 PolarHBondContact N-O 3.27Å; D144-L147 PolarHBondContact O-N 3.23Å
145D98.2Very high98.6Very high103 Ų10348.7 Ų48.755%0.55127%0.268SS*.THydrogen-bonded Turntrans58.1-111.6-176.1-17415.5000112.4K119K119-D145 IonicContact NZ-OD2 3.37Å; K119-D145 PolarHBondContact NZ-OD2 3.07Å
146K98.6Very high98.6Very high73 Ų7342.2 Ų42.232%0.31724%0.24SC..THydrogen-bonded Turntrans-95-1178.2-62-56.3-177-177.90114.1G97 Y99 I100 D144G97-K146 WeakPolarHBondContact O-CE 3.33Å; Y99-K146 WeakPolarHBondContact CA-O 3.45Å; Y99-K146 HydrophobicContact CD1-CB 4.27Å; Y99-K146 HydrophobicContact CD1-CD 3.69Å; Y99-K146 HydrophobicContact CD2-CD 4.43Å; Y99-K146 HydrophobicContact CE1-CD 3.45Å; Y99-K146 VanDerWaalsContact CE1-CD 3.45Å; Y99-K146 HydrophobicContact CE2-CD 4.26Å; Y99-K146 HydrophobicContact CG-CD 4.17Å; Y99-K146 VanDerWaalsContact CZ-NZ 3.27Å; Y99-K146 PolarHBondContact OH-NZ 2.81Å; Y99-K146 VanDerWaalsContact OH-NZ 3.15Å; I100-K146 PolarHBondContact N-O 3.33Å; D144-K146 PolarHBondContact O-N 3.22Å; D144-K146 VanDerWaalsContact O-N 3.15Å
147L98.9Very high98.6Very high3 Ų343.5 Ų43.52%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-94.7128.4175.4-177.665.8000110.5I100 L110 A116 K119 L121 V143 D144 T149I100-L147 WeakPolarHBondContact O-CA 3.2Å; L110-L147 HydrophobicContact CD1-CD1 3.69Å; L110-L147 HydrophobicContact CD2-CD1 4.43Å; A116-L147 HydrophobicContact CB-CB 4.17Å; A116-L147 HydrophobicContact CB-CD1 4.38Å; A116-L147 HydrophobicContact CB-CD2 3.92Å; A116-L147 HydrophobicContact CB-CG 4.38Å; K119-L147 HydrophobicContact CB-CD2 4.02Å; L121-L147 HydrophobicContact CB-CD2 4.19Å; L121-L147 HydrophobicContact CD2-CD2 4.49Å; V143-L147 WeakPolarHBondContact CA-O 3.15Å; D144-L147 PolarHBondContact N-O 3.27Å; D144-L147 PolarHBondContact O-N 3.23Å; L147-T149 HydrophobicContact CD1-CG2 4.21Å; L147-T149 HydrophobicContact CG-CG2 4.29Å
148V99Very high98.6Very high0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-128.1122.5177.1-170.50000109.6Y99 I100 A101 A102 V141 V142 V143 F159 K162 L163 L166Y99-V148 HydrophobicContact CD1-CG2 4.35Å; I100-V148 PolarHBondContact O-N 3.26Å; A101-V148 CarbonylContact C-O 3.56Å; A101-V148 WeakPolarHBondContact CA-O 3.41Å; A101-V148 HydrophobicContact CB-CB 4.09Å; A102-V148 PolarHBondContact N-O 3.2Å; V141-V148 HydrophobicContact CG1-CG1 4.16Å; V142-V148 CarbonylContact O-C 3.57Å; V142-V148 WeakPolarHBondContact O-CA 3.23Å; V143-V148 HydrophobicContact CG1-CG2 4.36Å; V143-V148 HydrophobicContact CG2-CG1 3.95Å; V143-V148 HydrophobicContact CG2-CG2 4.35Å; V148-F159 HydrophobicContact CB-CE2 4.39Å; V148-F159 HydrophobicContact CG1-CD2 4.1Å; V148-F159 HydrophobicContact CG1-CE2 3.83Å; V148-K162 HydrophobicContact CG1-CG 4.49Å; V148-L163 HydrophobicContact CB-CD2 3.95Å; V148-L163 HydrophobicContact CG1-CD2 3.83Å; V148-L163 HydrophobicContact CG2-CD2 4.11Å; V148-L166 HydrophobicContact CG2-CD1 3.56Å
149T99Very high98.6Very high0 Ų037.5 Ų37.50%022%0.221CC..EExtended strand (participates in β ladder)trans-130.3157.6-179.653.80000113.4A102 P107 L110 L121 T122 V141 V142 L147A102-T149 HydrophobicContact CB-CG2 4.36Å; A102-T149 WeakPolarHBondContact O-CA 3.44Å; A102-T149 WeakPolarHBondContact O-CB 3.45Å; P107-T149 HydrophobicContact CG-CG2 4.35Å; L110-T149 HydrophobicContact CD1-CG2 4.18Å; L121-T149 VanDerWaalsContact CA-OG1 3.28Å; L121-T149 WeakPolarHBondContact CA-OG1 3.26Å; L121-T149 HydrophobicContact CB-CG2 3.85Å; L121-T149 WeakPolarHBondContact CB-OG1 3.25Å; T122-T149 PolarHBondContact N-OG1 3.2Å; T122-T149 WeakPolarHBondContact O-CB 3.31Å; V141-T149 CarbonylContact C-O 3.54Å; V141-T149 WeakPolarHBondContact CA-O 3.49Å; V142-T149 PolarHBondContact N-O 3.38Å; V142-T149 PolarHBondContact O-N 2.91Å; L147-T149 HydrophobicContact CD1-CG2 4.21Å; L147-T149 HydrophobicContact CG-CG2 4.29Å
150S98.9Very high98.6Very high0 Ų033.4 Ų33.40%020%0.199CC..EExtended strand (participates in β ladder)trans-150.1168.3-177.2-1770000112.1A102 I103 C104 N140 T155 F159A102-S150 PolarHBondContact O-N 2.94Å; A102-S150 VanDerWaalsContact O-N 3.16Å; I103-S150 WeakPolarHBondContact CA-O 3.33Å; C104-S150 PolarHBondContact N-O 2.72Å; N140-S150 WeakPolarHBondContact O-CA 3.04Å; N140-S150 PolarHBondContact O-OG 3.28Å; S150-T155 WeakPolarHBondContact OG-CB 3.32Å; S150-T155 PolarHBondContact OG-OG1 2.91Å; S150-F159 VanDerWaalsContact CB-CD2 3.43Å
151R98.7Very high98.6Very high38 Ų3828.9 Ų28.914%0.14318%0.175CC..  trans-94.8-30.2-161.3-57.8-157.871.6176.12.4116.4C104 T122 S123 Y124 E138 D139 T155C104-R151 WeakPolarHBondContact CA-O 3.4Å; T122-R151 HydrophobicContact CG2-CG 3.88Å; T122-R151 WeakPolarHBondContact OG1-CD 3.25Å; T122-R151 VanDerWaalsContact OG1-CG 3.31Å; T122-R151 WeakPolarHBondContact OG1-CG 3.4Å; S123-R151 PolarHBondContact O-NE 2.84Å; Y124-R151 WeakPolarHBondContact CA-O 3.02Å; Y124-R151 WeakPolarHBondContact CB-O 3.43Å; Y124-R151 VanDerWaalsContact CD2-O 3.26Å; Y124-R151 WeakPolarHBondContact CD2-O 3.45Å; Y124-R151 PolarHBondContact N-O 2.99Å; E138-R151 WeakPolarHBondContact O-CD 3.36Å; E138-R151 PolarHBondContact O-NH1 3.22Å; D139-R151 WeakPolarHBondContact O-CD 3.43Å; R151-T155 HydrophobicContact CB-CG2 4.22Å; R151-T155 PolarHBondContact N-OG1 3.04Å
152G98.4Very high98.6Very high6 Ų630.3 Ų30.36%0.06218%0.178CC..SBendtrans168.8-173.5-17200000114.4G154 T155 A156G152-G154 VanDerWaalsContact C-N 3.29Å; G152-G154 PolarHBondContact O-N 2.86Å; G152-T155 PolarHBondContact N-OG1 2.72Å; G152-T155 WeakPolarHBondContact O-CA 3.27Å; G152-T155 PolarHBondContact O-N 2.68Å; G152-T155 PolarHBondContact O-OG1 3.47Å; G152-A156 PolarHBondContact O-N 2.84Å
153P98.2Very high98.6Very high41 Ų4130.2 Ų30.227%0.26618%0.178SC..G310 helixtrans-57.4-41.2-173.8-26.635.9000112.8E14 I16 E17 T155 A156E14-P153 HydrophobicContact CG-CG 3.97Å; I16-P153 HydrophobicContact CB-CB 4.28Å; I16-P153 HydrophobicContact CD1-CB 4.47Å; I16-P153 HydrophobicContact CG2-CB 4.1Å; E17-P153 HydrophobicContact CG-CB 4.45Å; E17-P153 HydrophobicContact CG-CG 4.29Å; E17-P153 WeakPolarHBondContact OE1-CD 3.25Å; E17-P153 WeakPolarHBondContact OE1-CG 3.39Å; P153-T155 PolarHBondContact O-N 3.15Å; P153-T155 VanDerWaalsContact O-N 3.12Å; P153-A156 VanDerWaalsContact O-CB 3.26Å; P153-A156 WeakPolarHBondContact O-CB 3.28Å; P153-A156 PolarHBondContact O-N 3.31Å; P153-A156 VanDerWaalsContact O-N 3.11Å
154G97.9Very high98.6Very high85 Ų8527.6 Ų27.688%0.87616%0.162SC*.G310 helixtrans-65.1-14.4177.100000114.9G152G152-G154 VanDerWaalsContact C-N 3.29Å; G152-G154 PolarHBondContact O-N 2.86Å
155T98.5Very high98.6Very high15 Ų1528.7 Ų28.79%0.09217%0.166CC..G310 helixtrans-107.53.2177.759.30000113N140 S150 R151 G152 P153 F157 A158 F159N140-T155 HydrophobicContact CB-CG2 3.85Å; S150-T155 WeakPolarHBondContact OG-CB 3.32Å; S150-T155 PolarHBondContact OG-OG1 2.91Å; R151-T155 HydrophobicContact CB-CG2 4.22Å; R151-T155 PolarHBondContact N-OG1 3.04Å; G152-T155 PolarHBondContact N-OG1 2.72Å; G152-T155 WeakPolarHBondContact O-CA 3.27Å; G152-T155 PolarHBondContact O-N 2.68Å; G152-T155 PolarHBondContact O-OG1 3.47Å; P153-T155 PolarHBondContact O-N 3.15Å; P153-T155 VanDerWaalsContact O-N 3.12Å; T155-F157 PolarHBondContact O-N 2.71Å; T155-A158 PolarHBondContact O-N 3.06Å; T155-F159 WeakPolarHBondContact O-CB 3.31Å; T155-F159 PolarHBondContact O-N 2.88Å
156A98.7Very high98.6Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-61.7-39.1-175.300000113E17 T20 I103 G152 P153 F159 A160E17-A156 HydrophobicContact CG-CB 4.44Å; T20-A156 HydrophobicContact CG2-CB 3.98Å; I103-A156 HydrophobicContact CD1-CB 4.22Å; G152-A156 PolarHBondContact O-N 2.84Å; P153-A156 VanDerWaalsContact O-CB 3.26Å; P153-A156 WeakPolarHBondContact O-CB 3.28Å; P153-A156 PolarHBondContact O-N 3.31Å; P153-A156 VanDerWaalsContact O-N 3.11Å; A156-F159 PolarHBondContact O-N 3.27Å; A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 2.85Å
157F98.5Very high98.6Very high82 Ų8224.4 Ų24.436%0.3615%0.146SC..Hα-helixtrans-68-44.5175.6-81.5-73.3000112.6T20 V24 T155 F159 A160 M161 M180 V182 L184T20-F157 HydrophobicContact CG2-CD1 3.63Å; T20-F157 HydrophobicContact CG2-CD2 3.98Å; T20-F157 HydrophobicContact CG2-CE1 3.69Å; T20-F157 HydrophobicContact CG2-CE2 4.03Å; T20-F157 HydrophobicContact CG2-CG 3.78Å; T20-F157 HydrophobicContact CG2-CZ 3.88Å; V24-F157 HydrophobicContact CG2-CD1 4.09Å; V24-F157 HydrophobicContact CG2-CE1 4.07Å; T155-F157 PolarHBondContact O-N 2.71Å; F157-F159 VanDerWaalsContact C-N 3.26Å; F157-F159 PolarHBondContact O-N 2.83Å; F157-A160 PolarHBondContact O-N 3.39Å; F157-M161 WeakPolarHBondContact O-CB 3.43Å; F157-M161 VanDerWaalsContact O-CG 3.27Å; F157-M161 WeakPolarHBondContact O-CG 3.27Å; F157-M161 PolarHBondContact O-N 3.15Å; F157-M180 HydrophobicContact CE1-CE 3.96Å; F157-V182 HydrophobicContact CB-CG1 3.87Å; F157-V182 HydrophobicContact CD1-CG1 4.42Å; F157-V182 HydrophobicContact CD1-CG2 3.87Å; F157-V182 HydrophobicContact CE1-CG2 4.23Å; F157-V182 HydrophobicContact CG-CG1 4.18Å; F157-V182 HydrophobicContact CG-CG2 4.38Å; F157-L184 HydrophobicContact CB-CD2 4.49Å
158A98.4Very high98.6Very high23 Ų2326.6 Ų26.619%0.1916%0.161CC..Hα-helixtrans-58.7-43.4176.600000110.9V141 T155 K162 L184V141-A158 HydrophobicContact CG2-CB 3.91Å; T155-A158 PolarHBondContact O-N 3.06Å; A158-K162 PolarHBondContact O-N 3.42Å; A158-L184 HydrophobicContact CB-CD2 3.8Å
159F98.8Very high98.5Very high0 Ų027.9 Ų27.90%017%0.174CC..Hα-helixtrans-61.4-53.9175.5177.9-123000111.9V21 V69 A101 I103 V141 V148 S150 T155 A156 F157 M161 K162 L163V21-F159 HydrophobicContact CG2-CD1 3.6Å; V21-F159 HydrophobicContact CG2-CE1 3.85Å; V69-F159 HydrophobicContact CG1-CE1 4.19Å; A101-F159 HydrophobicContact CB-CE2 3.93Å; A101-F159 HydrophobicContact CB-CZ 3.55Å; I103-F159 HydrophobicContact CB-CD1 4.1Å; I103-F159 HydrophobicContact CB-CE1 3.88Å; I103-F159 HydrophobicContact CB-CZ 4.23Å; I103-F159 HydrophobicContact CD1-CB 4.14Å; I103-F159 HydrophobicContact CD1-CD1 3.83Å; I103-F159 HydrophobicContact CD1-CE1 4.46Å; I103-F159 HydrophobicContact CD1-CG 4.14Å; I103-F159 HydrophobicContact CG2-CD1 4.35Å; I103-F159 HydrophobicContact CG2-CE1 3.95Å; V141-F159 HydrophobicContact CG1-CD2 4.46Å; V141-F159 HydrophobicContact CG2-CB 4.28Å; V148-F159 HydrophobicContact CB-CE2 4.39Å; V148-F159 HydrophobicContact CG1-CD2 4.1Å; V148-F159 HydrophobicContact CG1-CE2 3.83Å; S150-F159 VanDerWaalsContact CB-CD2 3.43Å; T155-F159 WeakPolarHBondContact O-CB 3.31Å; T155-F159 PolarHBondContact O-N 2.88Å; A156-F159 PolarHBondContact O-N 3.27Å; F157-F159 VanDerWaalsContact C-N 3.26Å; F157-F159 PolarHBondContact O-N 2.83Å; F159-M161 VanDerWaalsContact C-N 3.32Å; F159-M161 PolarHBondContact O-N 3.37Å; F159-K162 WeakPolarHBondContact O-CB 3.3Å; F159-K162 PolarHBondContact O-N 3.32Å; F159-K162 VanDerWaalsContact O-N 3.1Å; F159-L163 HydrophobicContact CD1-CD1 4.15Å; F159-L163 HydrophobicContact CD2-CD1 4.47Å; F159-L163 HydrophobicContact CE1-CD1 3.83Å; F159-L163 HydrophobicContact CE2-CD1 4.2Å; F159-L163 HydrophobicContact CE2-CD2 4.38Å; F159-L163 HydrophobicContact CE2-CG 4.42Å; F159-L163 HydrophobicContact CG-CD1 4.47Å; F159-L163 HydrophobicContact CZ-CD1 3.88Å; F159-L163 WeakPolarHBondContact O-CG 3.41Å; F159-L163 PolarHBondContact O-N 3.49Å
160A98.8Very high98.5Very high0 Ų033.5 Ų33.50%020%0.198CC..Hα-helixtrans-60.4-40.4-179.200000112.3V21 V24 A156 F157 K162 L163 V164V21-A160 HydrophobicContact CB-CB 4.49Å; V21-A160 HydrophobicContact CG2-CB 4.13Å; V24-A160 HydrophobicContact CB-CB 3.71Å; V24-A160 HydrophobicContact CG1-CB 3.67Å; V24-A160 HydrophobicContact CG2-CB 4.04Å; A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 2.85Å; F157-A160 PolarHBondContact O-N 3.39Å; A160-K162 PolarHBondContact O-N 2.98Å; A160-L163 WeakPolarHBondContact O-CB 3.29Å; A160-L163 PolarHBondContact O-N 2.8Å; A160-V164 WeakPolarHBondContact O-CG2 3.49Å; A160-V164 PolarHBondContact O-N 3.35Å
161M98.3Very high98.4Very high5 Ų537.9 Ų37.93%0.02523%0.227CC..Hα-helixtrans-66-36.8176-69.1-61.3171.100112.4V24 F157 F159 L163 V164 E165 L176 I177 M180 V182 L184V24-M161 HydrophobicContact CG1-CE 3.87Å; V24-M161 HydrophobicContact CG1-SD 3.95Å; V24-M161 HydrophobicContact CG2-CE 4.3Å; F157-M161 WeakPolarHBondContact O-CB 3.43Å; F157-M161 VanDerWaalsContact O-CG 3.27Å; F157-M161 WeakPolarHBondContact O-CG 3.27Å; F157-M161 PolarHBondContact O-N 3.15Å; F159-M161 VanDerWaalsContact C-N 3.32Å; F159-M161 PolarHBondContact O-N 3.37Å; M161-L163 VanDerWaalsContact C-N 3.34Å; M161-V164 PolarHBondContact O-N 2.91Å; M161-E165 PolarHBondContact O-N 3.3Å; M161-L176 HydrophobicContact CE-CB 3.93Å; M161-L176 HydrophobicContact SD-CB 3.97Å; M161-I177 HydrophobicContact CB-CD1 4.36Å; M161-I177 HydrophobicContact CB-CG1 4.35Å; M161-I177 HydrophobicContact CE-CG1 4.22Å; M161-I177 HydrophobicContact CG-CD1 4.28Å; M161-I177 HydrophobicContact CG-CG1 3.74Å; M161-I177 HydrophobicContact SD-CG1 3.71Å; M161-M180 HydrophobicContact CE-SD 3.72Å; M161-V182 HydrophobicContact CE-CG2 4.27Å; M161-L184 HydrophobicContact CB-CD1 3.93Å; M161-L184 HydrophobicContact CG-CD1 3.8Å
162K98.8Very high98.4Very high64 Ų6439.9 Ų39.928%0.27824%0.237SC..Hα-helixtrans-64.1-39.9173.2-175.658.563.8-173.20111.5V141 V143 V148 A158 F159 A160 E165 L166V141-K162 HydrophobicContact CG1-CB 4.01Å; V141-K162 HydrophobicContact CG1-CG 3.93Å; V143-K162 HydrophobicContact CG2-CD 4.02Å; V143-K162 HydrophobicContact CG2-CG 3.71Å; V148-K162 HydrophobicContact CG1-CG 4.49Å; A158-K162 PolarHBondContact O-N 3.42Å; F159-K162 WeakPolarHBondContact O-CB 3.3Å; F159-K162 PolarHBondContact O-N 3.32Å; F159-K162 VanDerWaalsContact O-N 3.1Å; A160-K162 PolarHBondContact O-N 2.98Å; K162-E165 IonicContact NZ-OE1 3.85Å; K162-E165 IonicContact NZ-OE2 3.52Å; K162-E165 PolarHBondContact NZ-OE2 3.27Å; K162-E165 WeakPolarHBondContact O-CB 3.35Å; K162-E165 PolarHBondContact O-N 2.77Å; K162-L166 HydrophobicContact CD-CG 4.47Å; K162-L166 HydrophobicContact CG-CD1 4.22Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.16Å; K162-L166 PolarHBondContact O-N 3.24Å
163L98.8Very high98.3Very high2 Ų239.8 Ų39.81%0.0124%0.235CC..Hα-helixtrans-63.4-42.3175-61.9173.5000111.6V21 L25 L67 V69 A101 V148 F159 A160 M161 E165 L166 L167V21-L163 HydrophobicContact CG1-CD1 3.93Å; L25-L163 HydrophobicContact CD2-CB 4.01Å; L67-L163 HydrophobicContact CD1-CD2 4.12Å; L67-L163 HydrophobicContact CD2-CB 4.27Å; L67-L163 HydrophobicContact CD2-CD1 4.13Å; L67-L163 HydrophobicContact CD2-CD2 4.24Å; L67-L163 HydrophobicContact CD2-CG 4.44Å; V69-L163 HydrophobicContact CG2-CD1 4.35Å; A101-L163 HydrophobicContact CB-CD1 4.26Å; A101-L163 HydrophobicContact CB-CD2 3.69Å; V148-L163 HydrophobicContact CB-CD2 3.95Å; V148-L163 HydrophobicContact CG1-CD2 3.83Å; V148-L163 HydrophobicContact CG2-CD2 4.11Å; F159-L163 HydrophobicContact CD1-CD1 4.15Å; F159-L163 HydrophobicContact CD2-CD1 4.47Å; F159-L163 HydrophobicContact CE1-CD1 3.83Å; F159-L163 HydrophobicContact CE2-CD1 4.2Å; F159-L163 HydrophobicContact CE2-CD2 4.38Å; F159-L163 HydrophobicContact CE2-CG 4.42Å; F159-L163 HydrophobicContact CG-CD1 4.47Å; F159-L163 HydrophobicContact CZ-CD1 3.88Å; F159-L163 WeakPolarHBondContact O-CG 3.41Å; F159-L163 PolarHBondContact O-N 3.49Å; A160-L163 WeakPolarHBondContact O-CB 3.29Å; A160-L163 PolarHBondContact O-N 2.8Å; M161-L163 VanDerWaalsContact C-N 3.34Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 3.29Å; L163-L166 PolarHBondContact O-N 3.14Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.37Å
164V98.7Very high98.3Very high0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-60.6-43.3172.8172.50000111.4V24 L25 A28 A160 M161 L166 L167 C168 G169 K172 A173 L176V24-V164 HydrophobicContact CG1-CG2 3.8Å; L25-V164 HydrophobicContact CD2-CG2 4.03Å; A28-V164 HydrophobicContact CB-CB 4.25Å; A28-V164 HydrophobicContact CB-CG1 3.62Å; A28-V164 HydrophobicContact CB-CG2 3.62Å; A160-V164 WeakPolarHBondContact O-CG2 3.49Å; A160-V164 PolarHBondContact O-N 3.35Å; M161-V164 PolarHBondContact O-N 2.91Å; V164-L166 VanDerWaalsContact C-N 3.32Å; V164-L166 PolarHBondContact O-N 3.25Å; V164-L167 PolarHBondContact O-N 3.05Å; V164-C168 HydrophobicContact CG1-CB 4.21Å; V164-C168 WeakPolarHBondContact O-CA 3.25Å; V164-C168 WeakPolarHBondContact O-CB 3.24Å; V164-C168 PolarHBondContact O-N 3.48Å; V164-G169 PolarHBondContact O-N 2.83Å; V164-K172 HydrophobicContact CG1-CB 4.44Å; V164-K172 HydrophobicContact CG1-CG 4.13Å; V164-A173 HydrophobicContact CB-CB 4.39Å; V164-A173 HydrophobicContact CG1-CB 4.02Å; V164-L176 HydrophobicContact CG1-CD1 4.13Å; V164-L176 HydrophobicContact CG2-CD1 4.32Å
165E98.5Very high98.3Very high63 Ų6343.5 Ų43.529%0.29423%0.233SC..Hα-helixtrans-58.7-44.7177178.1-178.8172.100111.5M161 K162 L163 G169 K170 A173M161-E165 PolarHBondContact O-N 3.3Å; K162-E165 IonicContact NZ-OE1 3.85Å; K162-E165 IonicContact NZ-OE2 3.52Å; K162-E165 PolarHBondContact NZ-OE2 3.27Å; K162-E165 WeakPolarHBondContact O-CB 3.35Å; K162-E165 PolarHBondContact O-N 2.77Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 3.29Å; E165-G169 CarbonylContact O-C 3.54Å; E165-G169 WeakPolarHBondContact O-CA 3.43Å; E165-G169 PolarHBondContact O-N 3.08Å; E165-K170 HydrophobicContact CG-CB 4.11Å; E165-A173 HydrophobicContact CB-CB 4Å
166L98.6Very high98.2Very high51 Ų5143.7 Ų43.727%0.26723%0.233SC..Hα-helixtrans-69.6-33.1-178.5-69169.2000113.5Y99 V143 V148 K162 L163 V164Y99-L166 HydrophobicContact CE1-CB 4.42Å; Y99-L166 HydrophobicContact CE1-CD1 4.25Å; Y99-L166 HydrophobicContact CE1-CD2 4.46Å; V143-L166 HydrophobicContact CG1-CD1 4.28Å; V143-L166 HydrophobicContact CG2-CD1 4.31Å; V148-L166 HydrophobicContact CG2-CD1 3.56Å; K162-L166 HydrophobicContact CD-CG 4.47Å; K162-L166 HydrophobicContact CG-CD1 4.22Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.16Å; K162-L166 PolarHBondContact O-N 3.24Å; L163-L166 PolarHBondContact O-N 3.14Å; V164-L166 VanDerWaalsContact C-N 3.32Å; V164-L166 PolarHBondContact O-N 3.25Å
167L98.4Very high98.2Very high35 Ų3546 Ų4618%0.18325%0.245CC..Hα-helixtrans-93.9-34-177.3-67.9178.3000114A3 L25 V30 D66 L67 Y99 L163 V164A3-L167 HydrophobicContact CB-CB 4.18Å; A3-L167 HydrophobicContact CB-CD1 4.48Å; A3-L167 HydrophobicContact CB-CD2 4.4Å; L25-L167 HydrophobicContact CD2-CD1 4.21Å; V30-L167 HydrophobicContact CG1-CD1 4.47Å; V30-L167 HydrophobicContact CG2-CD1 4.28Å; D66-L167 HydrophobicContact CB-CD2 4.23Å; L67-L167 HydrophobicContact CB-CD1 4Å; L67-L167 HydrophobicContact CB-CD2 4.43Å; L67-L167 HydrophobicContact CD2-CD1 3.7Å; L67-L167 HydrophobicContact CG-CD1 4.49Å; Y99-L167 HydrophobicContact CD2-CD2 3.83Å; Y99-L167 HydrophobicContact CE2-CD2 4.17Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.37Å; V164-L167 PolarHBondContact O-N 3.05Å
168C98.1Very high98.1Very high48 Ų4850.5 Ų50.532%0.32427%0.265SS..Hα-helixtrans-124.8-3.4-168.5-53.70000113.3V164 K172V164-C168 HydrophobicContact CG1-CB 4.21Å; V164-C168 WeakPolarHBondContact O-CA 3.25Å; V164-C168 WeakPolarHBondContact O-CB 3.24Å; V164-C168 PolarHBondContact O-N 3.48Å; C168-K172 HydrophobicContact CB-CB 4.07Å; C168-K172 HydrophobicContact CB-CG 3.99Å
169G98Very high98Very high27 Ų2752.5 Ų52.528%0.27829%0.287SS..  trans89.1152.6178.400000114.1V164 E165 P171 K172 A173V164-G169 PolarHBondContact O-N 2.83Å; E165-G169 CarbonylContact O-C 3.54Å; E165-G169 WeakPolarHBondContact O-CA 3.43Å; E165-G169 PolarHBondContact O-N 3.08Å; G169-P171 VanDerWaalsContact C-CD 3.46Å; G169-K172 PolarHBondContact O-N 3.43Å; G169-K172 VanDerWaalsContact O-N 3.12Å; G169-A173 PolarHBondContact O-N 3.37Å
170K97.5Very high98Very high118 Ų11854.6 Ų54.651%0.51330%0.297SS..Hα-helixtrans-53.6-41-178.8-169.7173.7-177.1175.40114.8E165 K172 A173 Q174E165-K170 HydrophobicContact CG-CB 4.11Å; K170-K172 VanDerWaalsContact C-N 3.29Å; K170-K172 PolarHBondContact O-N 2.76Å; K170-A173 PolarHBondContact O-N 3.26Å; K170-Q174 HydrophobicContact CG-CG 4.36Å; K170-Q174 WeakPolarHBondContact O-CG 3.3Å; K170-Q174 PolarHBondContact O-N 3.5Å
171P98Very high97.9Very high93 Ų9362.2 Ų62.260%0.60434%0.337SS*.Hα-helixtrans-60.7-36.6178-25.135.8000113.4G169 T175G169-P171 VanDerWaalsContact C-CD 3.46Å; P171-T175 WeakPolarHBondContact O-CB 3Å; P171-T175 PolarHBondContact O-N 3.4Å; P171-T175 PolarHBondContact O-OG1 2.83Å
172K97.9Very high97.7Very high80 Ų8063.2 Ų63.235%0.34834%0.344SS..Hα-helixtrans-68.9-44.4178.2-173.665.4175.6-175.80111.1A28 V164 C168 G169 K170 T175 L176A28-K172 HydrophobicContact CB-CG 4.37Å; A28-K172 WeakPolarHBondContact O-CE 3.47Å; V164-K172 HydrophobicContact CG1-CB 4.44Å; V164-K172 HydrophobicContact CG1-CG 4.13Å; C168-K172 HydrophobicContact CB-CB 4.07Å; C168-K172 HydrophobicContact CB-CG 3.99Å; G169-K172 PolarHBondContact O-N 3.43Å; G169-K172 VanDerWaalsContact O-N 3.12Å; K170-K172 VanDerWaalsContact C-N 3.29Å; K170-K172 PolarHBondContact O-N 2.76Å; K172-T175 PolarHBondContact O-N 3.07Å; K172-L176 PolarHBondContact O-N 2.92Å; K172-L176 VanDerWaalsContact O-N 3.07Å
173A97.8Very high97.3Very high4 Ų466.1 Ų66.13%0.03337%0.372CS..Hα-helixtrans-59.4-47.4175.400000111.6V164 E165 G169 K170 T175 L176 I177V164-A173 HydrophobicContact CB-CB 4.39Å; V164-A173 HydrophobicContact CG1-CB 4.02Å; E165-A173 HydrophobicContact CB-CB 4Å; G169-A173 PolarHBondContact O-N 3.37Å; K170-A173 PolarHBondContact O-N 3.26Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.38Å; A173-L176 PolarHBondContact O-N 3.12Å; A173-L176 VanDerWaalsContact O-N 3.14Å; A173-I177 WeakPolarHBondContact O-CG1 3.49Å; A173-I177 PolarHBondContact O-N 3.46Å
174Q97.3Very high96.8Very high109 Ų10972.6 Ų72.651%0.50941%0.406SS..Hα-helixtrans-61.3-39.5177.7-72.5177.8-33.500112.8K170 L176 I177 K178K170-Q174 HydrophobicContact CG-CG 4.36Å; K170-Q174 WeakPolarHBondContact O-CG 3.3Å; K170-Q174 PolarHBondContact O-N 3.5Å; Q174-L176 VanDerWaalsContact C-N 3.33Å; Q174-L176 PolarHBondContact O-N 3.12Å; Q174-I177 PolarHBondContact O-N 2.83Å; Q174-K178 PolarHBondContact O-N 3.36Å; Q174-K178 VanDerWaalsContact O-N 3.14Å
175T97.6Very high96.7Very high94 Ų9476.3 Ų76.358%0.57743%0.426SS*.Hα-helixtrans-60.9-43.1175.1-58.90000111.1P171 K172 A173 G179P171-T175 WeakPolarHBondContact O-CB 3Å; P171-T175 PolarHBondContact O-N 3.4Å; P171-T175 PolarHBondContact O-OG1 2.83Å; K172-T175 PolarHBondContact O-N 3.07Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.38Å; T175-G179 PolarHBondContact O-N 3.24Å
176L97.7Very high96.6Very high19 Ų1976.9 Ų76.910%0.09943%0.433CS..Hα-helixtrans-70.2-41.8177.8-70177.9000112.7R27 A28 M161 V164 K172 A173 Q174 K178 G179 M180R27-L176 HydrophobicContact CB-CD1 4.26Å; R27-L176 HydrophobicContact CB-CD2 3.75Å; A28-L176 HydrophobicContact CB-CD1 3.78Å; M161-L176 HydrophobicContact CE-CB 3.93Å; M161-L176 HydrophobicContact SD-CB 3.97Å; V164-L176 HydrophobicContact CG1-CD1 4.13Å; V164-L176 HydrophobicContact CG2-CD1 4.32Å; K172-L176 PolarHBondContact O-N 2.92Å; K172-L176 VanDerWaalsContact O-N 3.07Å; A173-L176 PolarHBondContact O-N 3.12Å; A173-L176 VanDerWaalsContact O-N 3.14Å; Q174-L176 VanDerWaalsContact C-N 3.33Å; Q174-L176 PolarHBondContact O-N 3.12Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 2.84Å; L176-G179 PolarHBondContact O-N 2.91Å; L176-G179 VanDerWaalsContact O-N 3.17Å; L176-M180 HydrophobicContact CB-SD 4.38Å; L176-M180 VanDerWaalsContact O-CB 3.24Å; L176-M180 WeakPolarHBondContact O-CB 3.45Å; L176-M180 VanDerWaalsContact O-CG 3.3Å; L176-M180 WeakPolarHBondContact O-CG 3.2Å; L176-M180 PolarHBondContact O-N 3.08Å
177I97.1Very high96.5Very high49 Ų4978.4 Ų78.425%0.25144%0.442SS..Hα-helixtrans-52.4-50.3175.6-71.4167.8000110M161 A173 Q174 L181 V182 L184M161-I177 HydrophobicContact CB-CD1 4.36Å; M161-I177 HydrophobicContact CB-CG1 4.35Å; M161-I177 HydrophobicContact CE-CG1 4.22Å; M161-I177 HydrophobicContact CG-CD1 4.28Å; M161-I177 HydrophobicContact CG-CG1 3.74Å; M161-I177 HydrophobicContact SD-CG1 3.71Å; A173-I177 WeakPolarHBondContact O-CG1 3.49Å; A173-I177 PolarHBondContact O-N 3.46Å; Q174-I177 PolarHBondContact O-N 2.83Å; I177-L181 PolarHBondContact O-N 2.84Å; I177-V182 WeakPolarHBondContact CG2-O 3.43Å; I177-V182 PolarHBondContact O-N 2.78Å; I177-V182 VanDerWaalsContact O-N 3.1Å; I177-L184 HydrophobicContact CD1-CD1 4.06Å; I177-L184 HydrophobicContact CG1-CD1 4.16Å
178K96.4Very high96.4Very high177 Ų17780.9 Ų80.977%0.7746%0.458SS*.Hα-helixtrans-65.6-46.2177.5-173.7177.8179.1-179.10112.2Q174 L176 M180 L181Q174-K178 PolarHBondContact O-N 3.36Å; Q174-K178 VanDerWaalsContact O-N 3.14Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 2.84Å; K178-M180 VanDerWaalsContact C-N 3.3Å; K178-M180 PolarHBondContact O-N 3.24Å; K178-L181 PolarHBondContact O-N 2.83Å
179G97.3Very high96.3Very high64 Ų6483 Ų8366%0.6647%0.466SS*.Hα-helixtrans-69.3-25.2-176.400000114.4T175 L176T175-G179 PolarHBondContact O-N 3.24Å; L176-G179 PolarHBondContact O-N 2.91Å; L176-G179 VanDerWaalsContact O-N 3.17Å
180M97.4Very high96.2Very high44 Ų4486.7 Ų86.722%0.21748%0.478CS..THydrogen-bonded Turntrans-99.42.5179.1-63.2-178.970.700113V24 R27 F157 M161 L176 K178 V182V24-M180 HydrophobicContact CG2-CE 3.74Å; V24-M180 HydrophobicContact CG2-SD 4.1Å; R27-M180 WeakPolarHBondContact CD-SD 3.31Å; F157-M180 HydrophobicContact CE1-CE 3.96Å; M161-M180 HydrophobicContact CE-SD 3.72Å; L176-M180 HydrophobicContact CB-SD 4.38Å; L176-M180 VanDerWaalsContact O-CB 3.24Å; L176-M180 WeakPolarHBondContact O-CB 3.45Å; L176-M180 VanDerWaalsContact O-CG 3.3Å; L176-M180 WeakPolarHBondContact O-CG 3.2Å; L176-M180 PolarHBondContact O-N 3.08Å; K178-M180 VanDerWaalsContact C-N 3.3Å; K178-M180 PolarHBondContact O-N 3.24Å; M180-V182 HydrophobicContact CB-CG2 3.81Å; M180-V182 PolarHBondContact O-N 2.88Å
181L97Very high96.1Very high160 Ų16084.5 Ų84.584%0.83848%0.476SS*.THydrogen-bonded Turntrans57.435.1179.8-50176.5000113.2I177 K178I177-L181 PolarHBondContact O-N 2.84Å; K178-L181 PolarHBondContact O-N 2.83Å
182V93.7Very high96Very high27 Ų2783.8 Ų83.816%0.16447%0.466CS..  trans-85.6131.5178.3-170.20000109.1F157 M161 I177 M180 L184F157-V182 HydrophobicContact CB-CG1 3.87Å; F157-V182 HydrophobicContact CD1-CG1 4.42Å; F157-V182 HydrophobicContact CD1-CG2 3.87Å; F157-V182 HydrophobicContact CE1-CG2 4.23Å; F157-V182 HydrophobicContact CG-CG1 4.18Å; F157-V182 HydrophobicContact CG-CG2 4.38Å; M161-V182 HydrophobicContact CE-CG2 4.27Å; I177-V182 WeakPolarHBondContact CG2-O 3.43Å; I177-V182 PolarHBondContact O-N 2.78Å; I177-V182 VanDerWaalsContact O-N 3.1Å; M180-V182 HydrophobicContact CB-CG2 3.81Å; M180-V182 PolarHBondContact O-N 2.88Å; V182-L184 HydrophobicContact CG1-CD1 4.16Å; V182-L184 HydrophobicContact CG1-CD2 3.75Å; V182-L184 HydrophobicContact CG1-CG 3.62Å
183S92.1Very high95.8Very high124 Ų12484.2 Ų84.287%0.86748%0.476SS*.  trans-98.7112169.3-172.80000109.3
184L88Confident95.6Very high139 Ų13991.5 Ų91.573%0.72852%0.516SS*.  trans-124.10178.7-62.9-179.8000111.3F157 A158 M161 I177 V182F157-L184 HydrophobicContact CB-CD2 4.49Å; A158-L184 HydrophobicContact CB-CD2 3.8Å; M161-L184 HydrophobicContact CB-CD1 3.93Å; M161-L184 HydrophobicContact CG-CD1 3.8Å; I177-L184 HydrophobicContact CD1-CD1 4.06Å; I177-L184 HydrophobicContact CG1-CD1 4.16Å; V182-L184 HydrophobicContact CG1-CD1 4.16Å; V182-L184 HydrophobicContact CG1-CD2 3.75Å; V182-L184 HydrophobicContact CG1-CG 3.62Å

Retrieved 184 of 184 residues in 561.7 ms (Link to these results)

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