A0A077ZIW2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M86.6Confident94.9Very high131 Ų13187.5 Ų87.565%0.64544%0.441SS*.  0141.30-72.4-172.8-75.600108.3E5 Y6 L9 P47M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.23Å; M1-Y6 HydrophobicContact CB-CD2 3.95Å; M1-Y6 HydrophobicContact CB-CE2 3.65Å; M1-Y6 HydrophobicContact CE-CD1 4.19Å; M1-Y6 HydrophobicContact CE-CE1 3.41Å; M1-Y6 VanDerWaalsContact CE-CE1 3.41Å; M1-Y6 HydrophobicContact CE-CE2 4.1Å; M1-Y6 WeakPolarHBondContact CE-OH 3.5Å; M1-Y6 HydrophobicContact SD-CE1 4.37Å; M1-L9 HydrophobicContact SD-CD1 4.33Å; M1-P47 WeakPolarHBondContact O-CG 3.46Å
2T94.6Very high95.1Very high65 Ų6583.3 Ų83.340%0.39942%0.416SS..  trans-83172.6173.4790000111.1E4 E5 Y6T2-E4 VanDerWaalsContact C-N 3.32Å; T2-E4 WeakPolarHBondContact CB-OE2 3.19Å; T2-E4 PolarHBondContact OG1-N 3.31Å; T2-E4 PolarHBondContact OG1-OE2 3.08Å; T2-E5 PolarHBondContact N-OE2 3.07Å; T2-E5 PolarHBondContact O-N 3.34Å; T2-E5 PolarHBondContact OG1-N 3Å; T2-Y6 VanDerWaalsContact O-CD2 3.3Å; T2-Y6 WeakPolarHBondContact O-CD2 3.41Å; T2-Y6 PolarHBondContact O-N 3.32Å; T2-Y6 VanDerWaalsContact O-N 3.11Å
3Y95.9Very high95.2Very high31 Ų3182.6 Ų82.612%0.12241%0.406CS..Hα-helixtrans-60.3-44.1174.5170-95000111.3E5 Y6 R7 P47 Q54 R55 V57 E60Y3-E5 VanDerWaalsContact C-N 3.32Å; Y3-E5 PolarHBondContact O-N 3.31Å; Y3-Y6 PolarHBondContact O-N 2.96Å; Y3-R7 HydrophobicContact CE1-CB 4.37Å; Y3-R7 WeakPolarHBondContact O-CB 3.35Å; Y3-R7 PolarHBondContact O-N 3.32Å; Y3-P47 VanDerWaalsContact N-CB 3.28Å; Y3-Q54 HydrophobicContact CD2-CG 4.11Å; Y3-Q54 HydrophobicContact CG-CG 4.04Å; Y3-Q54 VanDerWaalsContact CZ-NE2 3.33Å; Y3-R55 WeakPolarHBondContact CD2-O 3.16Å; Y3-R55 WeakPolarHBondContact CE2-O 3.36Å; Y3-V57 HydrophobicContact CD2-CG2 3.74Å; Y3-V57 HydrophobicContact CE2-CG2 3.58Å; Y3-E60 WeakPolarHBondContact CE2-OE1 3.42Å; Y3-E60 PolarHBondContact OH-OE1 3.4Å; Y3-E60 PolarHBondContact OH-OE2 3.17Å
4E96.9Very high95.4Very high92 Ų9283.8 Ų83.843%0.4341%0.41SS..Hα-helixtrans-61.5-42.3178.3-60.673.4-16100111.1T2 Y6 R7 D8T2-E4 VanDerWaalsContact C-N 3.32Å; T2-E4 WeakPolarHBondContact CB-OE2 3.19Å; T2-E4 PolarHBondContact OG1-N 3.31Å; T2-E4 PolarHBondContact OG1-OE2 3.08Å; E4-Y6 PolarHBondContact O-N 3.29Å; E4-R7 PolarHBondContact O-N 2.92Å; E4-D8 VanDerWaalsContact O-CB 3.25Å; E4-D8 WeakPolarHBondContact O-CB 3.44Å; E4-D8 PolarHBondContact O-N 3.36Å
5E97.3Very high95.5Very high103 Ų10385.1 Ų85.148%0.48142%0.415SS..Hα-helixtrans-60.8-44.5176.5-68.6177.8144.300111.2M1 T2 Y3 L9M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.23Å; T2-E5 PolarHBondContact N-OE2 3.07Å; T2-E5 PolarHBondContact O-N 3.34Å; T2-E5 PolarHBondContact OG1-N 3Å; Y3-E5 VanDerWaalsContact C-N 3.32Å; Y3-E5 PolarHBondContact O-N 3.31Å; E5-L9 WeakPolarHBondContact O-CG 3.38Å; E5-L9 PolarHBondContact O-N 3.48Å
6Y95.3Very high95.7Very high47 Ų4779.9 Ų79.918%0.18439%0.389CS..Hα-helixtrans-64.1-43.3173.8-83.3-70.5000112.9M1 T2 Y3 E4 D8 L9 Y12 P47 N48M1-Y6 HydrophobicContact CB-CD2 3.95Å; M1-Y6 HydrophobicContact CB-CE2 3.65Å; M1-Y6 HydrophobicContact CE-CD1 4.19Å; M1-Y6 HydrophobicContact CE-CE1 3.41Å; M1-Y6 VanDerWaalsContact CE-CE1 3.41Å; M1-Y6 HydrophobicContact CE-CE2 4.1Å; M1-Y6 WeakPolarHBondContact CE-OH 3.5Å; M1-Y6 HydrophobicContact SD-CE1 4.37Å; T2-Y6 VanDerWaalsContact O-CD2 3.3Å; T2-Y6 WeakPolarHBondContact O-CD2 3.41Å; T2-Y6 PolarHBondContact O-N 3.32Å; T2-Y6 VanDerWaalsContact O-N 3.11Å; Y3-Y6 PolarHBondContact O-N 2.96Å; E4-Y6 PolarHBondContact O-N 3.29Å; Y6-D8 VanDerWaalsContact C-N 3.3Å; Y6-D8 PolarHBondContact O-N 3.36Å; Y6-L9 HydrophobicContact CD1-CD1 4.33Å; Y6-L9 PolarHBondContact O-N 2.91Å; Y6-Y12 HydrophobicContact CD1-CD1 4.1Å; Y6-Y12 AromaticContact CD1-CE1 3.42Å; Y6-Y12 HydrophobicContact CD1-CE1 3.42Å; Y6-Y12 VanDerWaalsContact CD1-CE1 3.42Å; Y6-Y12 HydrophobicContact CD1-CE2 4.06Å; Y6-Y12 AromaticContact CD1-CZ 3.39Å; Y6-Y12 WeakPolarHBondContact CD1-OH 3.36Å; Y6-Y12 HydrophobicContact CE1-CE1 4.21Å; Y6-Y12 HydrophobicContact CE1-CE2 4.28Å; Y6-Y12 AromaticContact CE1-CZ 3.73Å; Y6-Y12 WeakPolarHBondContact CE1-OH 3.48Å; Y6-Y12 HydrophobicContact CG-CE1 4.1Å; Y6-Y12 VanDerWaalsContact O-CD1 3.23Å; Y6-Y12 WeakPolarHBondContact O-CD1 3.4Å; Y6-P47 HydrophobicContact CD2-CB 4.15Å; Y6-P47 HydrophobicContact CD2-CG 4.29Å; Y6-P47 HydrophobicContact CE2-CB 4.41Å; Y6-P47 HydrophobicContact CE2-CG 4.07Å; Y6-N48 HydrophobicContact CD2-CB 4.28Å; Y6-N48 HydrophobicContact CE1-CB 4.34Å; Y6-N48 HydrophobicContact CE2-CB 3.91Å
7R94.2Very high95.8Very high107 Ų10778.9 Ų78.940%0.40438%0.384SS..Hα-helixtrans-63.5-38.8-178.4-176.7-162.769-155-8.6111.5Y3 E4 V57Y3-R7 HydrophobicContact CE1-CB 4.37Å; Y3-R7 WeakPolarHBondContact O-CB 3.35Å; Y3-R7 PolarHBondContact O-N 3.32Å; E4-R7 PolarHBondContact O-N 2.92Å; R7-V57 HydrophobicContact CB-CG2 4.25Å
8D96Very high95.9Very high100 Ų10079.2 Ų79.254%0.53539%0.391SS..Hα-helixtrans-89.2-6.6-173.4-62.2-16.1000112.5E4 Y6 P10E4-D8 VanDerWaalsContact O-CB 3.25Å; E4-D8 WeakPolarHBondContact O-CB 3.44Å; E4-D8 PolarHBondContact O-N 3.36Å; Y6-D8 VanDerWaalsContact C-N 3.3Å; Y6-D8 PolarHBondContact O-N 3.36Å; D8-P10 WeakPolarHBondContact O-CD 3.46Å
9L95.9Very high96Very high75 Ų7581.1 Ų81.139%0.39340%0.401SS..SBendtrans-60.6124.7170.3-83171.5000110M1 E5 Y6 D11 Y12M1-L9 HydrophobicContact SD-CD1 4.33Å; E5-L9 WeakPolarHBondContact O-CG 3.38Å; E5-L9 PolarHBondContact O-N 3.48Å; Y6-L9 HydrophobicContact CD1-CD1 4.33Å; Y6-L9 PolarHBondContact O-N 2.91Å; L9-D11 PolarHBondContact O-N 3.24Å; L9-Y12 HydrophobicContact CB-CG 4.26Å; L9-Y12 HydrophobicContact CD1-CD2 4.33Å; L9-Y12 HydrophobicContact CD1-CG 4.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.39Å; L9-Y12 PolarHBondContact O-N 2.9Å
10P96.2Very high96.1Very high112 Ų11277.4 Ų77.473%0.72738%0.382SS*.THydrogen-bonded Turntrans-55.8131177.3-24.933.8000111.1D8 Y12D8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-Y12 PolarHBondContact O-N 3.17Å; P10-Y12 VanDerWaalsContact O-N 3.08Å
11D95.6Very high96.2Very high100 Ų10077.1 Ų77.154%0.53538%0.38SS..THydrogen-bonded Turntrans64.18.4174.6-156.546.7000115.6L9 R13 H14 Q15L9-D11 PolarHBondContact O-N 3.24Å; D11-R13 PolarHBondContact O-N 3.44Å; D11-H14 PolarHBondContact O-N 3.22Å; D11-H14 WeakPolarHBondContact OD1-CB 3.42Å; D11-H14 IonicContact OD1-CD2 3.69Å; D11-H14 IonicContact OD1-CG 2.74Å; D11-H14 IonicContact OD2-CD2 3.65Å; D11-Q15 WeakPolarHBondContact O-CG 3.43Å; D11-Q15 PolarHBondContact O-N 3.21Å
12Y96.9Very high96.8Very high36 Ų3674.3 Ų74.314%0.14137%0.372CS..Hα-helixtrans-65.3-39.2-174.7-178.1-111000113.5Y6 L9 P10 H14 Q15 C16 N48 V57Y6-Y12 HydrophobicContact CD1-CD1 4.1Å; Y6-Y12 AromaticContact CD1-CE1 3.42Å; Y6-Y12 HydrophobicContact CD1-CE1 3.42Å; Y6-Y12 VanDerWaalsContact CD1-CE1 3.42Å; Y6-Y12 HydrophobicContact CD1-CE2 4.06Å; Y6-Y12 AromaticContact CD1-CZ 3.39Å; Y6-Y12 WeakPolarHBondContact CD1-OH 3.36Å; Y6-Y12 HydrophobicContact CE1-CE1 4.21Å; Y6-Y12 HydrophobicContact CE1-CE2 4.28Å; Y6-Y12 AromaticContact CE1-CZ 3.73Å; Y6-Y12 WeakPolarHBondContact CE1-OH 3.48Å; Y6-Y12 HydrophobicContact CG-CE1 4.1Å; Y6-Y12 VanDerWaalsContact O-CD1 3.23Å; Y6-Y12 WeakPolarHBondContact O-CD1 3.4Å; L9-Y12 HydrophobicContact CB-CG 4.26Å; L9-Y12 HydrophobicContact CD1-CD2 4.33Å; L9-Y12 HydrophobicContact CD1-CG 4.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.39Å; L9-Y12 PolarHBondContact O-N 2.9Å; P10-Y12 PolarHBondContact O-N 3.17Å; P10-Y12 VanDerWaalsContact O-N 3.08Å; Y12-H14 VanDerWaalsContact C-N 3.32Å; Y12-H14 PolarHBondContact O-N 3.45Å; Y12-Q15 WeakPolarHBondContact O-CB 3.32Å; Y12-Q15 PolarHBondContact O-N 3.48Å; Y12-C16 WeakPolarHBondContact CE1-SG 3.48Å; Y12-C16 VanDerWaalsContact CZ-SG 3.54Å; Y12-C16 PolarHBondContact O-N 3.49Å; Y12-C16 PolarHBondContact O-SG 3.26Å; Y12-N48 PolarHBondContact OH-ND2 2.83Å; Y12-N48 VanDerWaalsContact OH-ND2 3.12Å; Y12-N48 PolarHBondContact OH-OD1 3.11Å; Y12-V57 HydrophobicContact CD1-CB 4.34Å; Y12-V57 HydrophobicContact CD1-CG1 3.73Å; Y12-V57 HydrophobicContact CE1-CB 3.96Å; Y12-V57 HydrophobicContact CE1-CG1 3.75Å
13R96.6Very high96.9Very high75 Ų7574.6 Ų74.628%0.28337%0.37SS..Hα-helixtrans-62.2-39.9174.8-71.8-177.3179.7-87.2-1.9112.2D11 Q15 C16 Q17 V57 E60 E61D11-R13 PolarHBondContact O-N 3.44Å; R13-Q15 VanDerWaalsContact C-N 3.32Å; R13-Q15 PolarHBondContact O-N 2.87Å; R13-C16 WeakPolarHBondContact O-CB 3.4Å; R13-C16 PolarHBondContact O-N 3.23Å; R13-Q17 WeakPolarHBondContact O-CG 3.28Å; R13-Q17 PolarHBondContact O-N 3.21Å; R13-V57 HydrophobicContact CG-CG1 3.89Å; R13-E60 IonicContact CZ-OE2 3.15Å; R13-E60 IonicContact NH1-OE2 2.73Å; R13-E60 PolarHBondContact NH1-OE2 2.91Å; R13-E60 IonicContact NH2-OE2 2.66Å; R13-E60 PolarHBondContact NH2-OE2 3.27Å; R13-E61 HydrophobicContact CB-CG 4.42Å; R13-E61 VanDerWaalsContact CD-OE1 3.28Å; R13-E61 WeakPolarHBondContact CD-OE1 3.48Å; R13-E61 WeakPolarHBondContact CG-OE1 3.44Å; R13-E61 IonicContact CZ-OE1 3.9Å; R13-E61 IonicContact NE-OE1 3.57Å; R13-E61 IonicContact NH1-OE1 3.81Å; R13-E61 PolarHBondContact NH1-OE1 2.93Å
14H97.2Very high97.1Very high99 Ų9973.4 Ų73.446%0.45837%0.366SS..Hα-helixtrans-66.2-37.4176.5-175.156.1000111.8D11 Y12 Q17 T18D11-H14 PolarHBondContact O-N 3.22Å; D11-H14 WeakPolarHBondContact OD1-CB 3.42Å; D11-H14 IonicContact OD1-CD2 3.69Å; D11-H14 IonicContact OD1-CG 2.74Å; D11-H14 IonicContact OD2-CD2 3.65Å; Y12-H14 VanDerWaalsContact C-N 3.32Å; Y12-H14 PolarHBondContact O-N 3.45Å; H14-Q17 PolarHBondContact O-N 3.42Å; H14-T18 WeakPolarHBondContact O-CB 3.32Å; H14-T18 PolarHBondContact O-N 3.01Å; H14-T18 PolarHBondContact O-OG1 3.29Å
15Q97.8Very high97.1Very high103 Ų10374.5 Ų74.548%0.48137%0.371SS..Hα-helixtrans-63.9-41.1171.6-68.8174.131.400111.9D11 Y12 R13 T18 M19D11-Q15 WeakPolarHBondContact O-CG 3.43Å; D11-Q15 PolarHBondContact O-N 3.21Å; Y12-Q15 WeakPolarHBondContact O-CB 3.32Å; Y12-Q15 PolarHBondContact O-N 3.48Å; R13-Q15 VanDerWaalsContact C-N 3.32Å; R13-Q15 PolarHBondContact O-N 2.87Å; Q15-T18 PolarHBondContact O-N 3.2Å; Q15-M19 WeakPolarHBondContact O-CB 3.43Å; Q15-M19 PolarHBondContact O-N 3.41Å
16C97.9Very high97.2Very high2 Ų274.4 Ų74.41%0.01437%0.371CS..Hα-helixtrans-59-50.5173.3-68.40000110.9Y12 R13 T18 M19 L20 L58 E61Y12-C16 WeakPolarHBondContact CE1-SG 3.48Å; Y12-C16 VanDerWaalsContact CZ-SG 3.54Å; Y12-C16 PolarHBondContact O-N 3.49Å; Y12-C16 PolarHBondContact O-SG 3.26Å; R13-C16 WeakPolarHBondContact O-CB 3.4Å; R13-C16 PolarHBondContact O-N 3.23Å; C16-T18 VanDerWaalsContact C-N 3.35Å; C16-T18 PolarHBondContact O-N 3.11Å; C16-M19 WeakPolarHBondContact O-CB 3.26Å; C16-M19 PolarHBondContact O-N 2.93Å; C16-L20 WeakPolarHBondContact O-CB 3.25Å; C16-L20 WeakPolarHBondContact O-CD1 3.1Å; C16-L20 WeakPolarHBondContact O-CG 3.39Å; C16-L20 PolarHBondContact O-N 3.39Å; C16-L58 HydrophobicContact CB-CD1 3.8Å; C16-E61 HydrophobicContact CB-CB 4.13Å; C16-E61 HydrophobicContact CB-CG 3.85Å
17Q97.8Very high97.3Very high64 Ų6473.1 Ų73.130%0.29937%0.367SS..Hα-helixtrans-55.6-49.1176.3-70164.4-6.500111.4R13 H14 M19 L20 Q21 E61R13-Q17 WeakPolarHBondContact O-CG 3.28Å; R13-Q17 PolarHBondContact O-N 3.21Å; H14-Q17 PolarHBondContact O-N 3.42Å; Q17-M19 VanDerWaalsContact C-N 3.29Å; Q17-M19 PolarHBondContact O-N 2.95Å; Q17-L20 PolarHBondContact O-N 2.99Å; Q17-L20 VanDerWaalsContact O-N 3.11Å; Q17-Q21 WeakPolarHBondContact O-CG 3.38Å; Q17-Q21 PolarHBondContact O-N 3.38Å; Q17-E61 HydrophobicContact CG-CB 4.35Å; Q17-E61 HydrophobicContact CG-CG 4.32Å; Q17-E61 WeakPolarHBondContact CG-OE2 3.22Å; Q17-E61 PolarHBondContact NE2-OE2 2.91Å
18T98.2Very high97.4Very high83 Ų8372 Ų7251%0.50937%0.366SS..Hα-helixtrans-59.2-40.4178.7-58.30000112H14 Q15 C16 P22H14-T18 WeakPolarHBondContact O-CB 3.32Å; H14-T18 PolarHBondContact O-N 3.01Å; H14-T18 PolarHBondContact O-OG1 3.29Å; Q15-T18 PolarHBondContact O-N 3.2Å; C16-T18 VanDerWaalsContact C-N 3.35Å; C16-T18 PolarHBondContact O-N 3.11Å; T18-P22 WeakPolarHBondContact O-CD 3.47Å
19M98Very high97.5Very high116 Ų11669.9 Ų69.957%0.57136%0.362SS*.Hα-helixtrans-69.1-35.6176.7-172.6-174.7-54.600112.4Q15 C16 Q17 P22Q15-M19 WeakPolarHBondContact O-CB 3.43Å; Q15-M19 PolarHBondContact O-N 3.41Å; C16-M19 WeakPolarHBondContact O-CB 3.26Å; C16-M19 PolarHBondContact O-N 2.93Å; Q17-M19 VanDerWaalsContact C-N 3.29Å; Q17-M19 PolarHBondContact O-N 2.95Å; M19-P22 WeakPolarHBondContact O-CD 3.24Å; M19-P22 WeakPolarHBondContact O-CG 3.49Å
20L98.3Very high97.6Very high6 Ų671.9 Ų71.93%0.03137%0.365CS..Hα-helixtrans-77.4-30.9-177.5-72169.2000113.2C16 Q17 I23 I24 L58 E61 F62C16-L20 WeakPolarHBondContact O-CB 3.25Å; C16-L20 WeakPolarHBondContact O-CD1 3.1Å; C16-L20 WeakPolarHBondContact O-CG 3.39Å; C16-L20 PolarHBondContact O-N 3.39Å; Q17-L20 PolarHBondContact O-N 2.99Å; Q17-L20 VanDerWaalsContact O-N 3.11Å; L20-I23 HydrophobicContact CD2-CD1 4.19Å; L20-I23 WeakPolarHBondContact O-CA 3.44Å; L20-I23 WeakPolarHBondContact O-CB 3.23Å; L20-I23 PolarHBondContact O-N 2.85Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.48Å; L20-L58 HydrophobicContact CD1-CD1 3.87Å; L20-L58 HydrophobicContact CD2-CD1 3.98Å; L20-L58 HydrophobicContact CG-CD1 3.87Å; L20-E61 HydrophobicContact CD1-CB 3.66Å; L20-F62 HydrophobicContact CD1-CB 3.93Å; L20-F62 VanDerWaalsContact CD1-N 3.28Å; L20-F62 HydrophobicContact CD2-CB 4.01Å; L20-F62 HydrophobicContact CD2-CD2 3.8Å; L20-F62 HydrophobicContact CD2-CG 4.33Å
21Q98Very high97.6Very high72 Ų7270.2 Ų70.234%0.33635%0.348SS..Hα-helixtrans-47.4-53179.4-77.3-59-50.400114.4Q17 I23 I24 Q25 E65Q17-Q21 WeakPolarHBondContact O-CG 3.38Å; Q17-Q21 PolarHBondContact O-N 3.38Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.17Å; Q21-I24 PolarHBondContact O-N 2.89Å; Q21-Q25 VanDerWaalsContact O-CG 3.32Å; Q21-Q25 WeakPolarHBondContact O-CG 3.49Å; Q21-Q25 PolarHBondContact O-N 3.37Å; Q21-E65 PolarHBondContact NE2-OE1 3.08Å; Q21-E65 PolarHBondContact NE2-OE2 3.19Å
22P98.3Very high97.6Very high73 Ų7369.2 Ų69.247%0.47435%0.354SS..Hα-helixtrans-64.4-30.417824.9-35.1000113.3T18 M19 Q26T18-P22 WeakPolarHBondContact O-CD 3.47Å; M19-P22 WeakPolarHBondContact O-CD 3.24Å; M19-P22 WeakPolarHBondContact O-CG 3.49Å; P22-Q26 VanDerWaalsContact O-CB 3.28Å; P22-Q26 WeakPolarHBondContact O-CB 3.31Å; P22-Q26 PolarHBondContact O-N 3.23Å
23I97.9Very high97.7Very high71 Ų7174.8 Ų74.836%0.36438%0.381SS..Hα-helixtrans-68.5-45.5177.4-61.6167.7000109.9L20 Q21 Q26 I27L20-I23 HydrophobicContact CD2-CD1 4.19Å; L20-I23 WeakPolarHBondContact O-CA 3.44Å; L20-I23 WeakPolarHBondContact O-CB 3.23Å; L20-I23 PolarHBondContact O-N 2.85Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.17Å; I23-Q26 WeakPolarHBondContact O-CB 3.48Å; I23-Q26 PolarHBondContact O-N 3.35Å; I23-I27 HydrophobicContact CG2-CD1 4.15Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.2Å
24I98.3Very high97.6Very high6 Ų674.3 Ų74.33%0.03140%0.4CS..Hα-helixtrans-62.7-45.3177.7-63-68.7000110.7L20 Q21 Q26 I27 Q28 F62 E65 A69 I71L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.48Å; Q21-I24 PolarHBondContact O-N 2.89Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 2.88Å; I24-I27 PolarHBondContact O-N 2.94Å; I24-Q28 WeakPolarHBondContact O-CG 3.34Å; I24-Q28 PolarHBondContact O-N 3.48Å; I24-F62 HydrophobicContact CD1-CD2 4.2Å; I24-F62 HydrophobicContact CD1-CE2 4.04Å; I24-E65 HydrophobicContact CD1-CB 3.8Å; I24-E65 HydrophobicContact CG1-CB 3.85Å; I24-A69 HydrophobicContact CG2-CB 3.68Å; I24-I71 HydrophobicContact CD1-CD1 3.98Å; I24-I71 HydrophobicContact CG2-CD1 3.93Å
25Q98.2Very high97.5Very high115 Ų11576.8 Ų76.854%0.53741%0.406SS..Hα-helixtrans-60.4-39.5175-71.4172.95.100111.9Q21 Q28 A29Q21-Q25 VanDerWaalsContact O-CG 3.32Å; Q21-Q25 WeakPolarHBondContact O-CG 3.49Å; Q21-Q25 PolarHBondContact O-N 3.37Å; Q25-Q28 PolarHBondContact O-N 2.95Å; Q25-A29 WeakPolarHBondContact O-CB 3.33Å; Q25-A29 PolarHBondContact O-N 2.99Å
26Q98.2Very high97.3Very high101 Ų10177.5 Ų77.547%0.47241%0.41SS..Hα-helixtrans-66-42.7177.1-179.4170.540.200112P22 I23 I24 Q28 A29 Y30P22-Q26 VanDerWaalsContact O-CB 3.28Å; P22-Q26 WeakPolarHBondContact O-CB 3.31Å; P22-Q26 PolarHBondContact O-N 3.23Å; I23-Q26 WeakPolarHBondContact O-CB 3.48Å; I23-Q26 PolarHBondContact O-N 3.35Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 2.88Å; Q26-Q28 VanDerWaalsContact C-N 3.34Å; Q26-Q28 PolarHBondContact O-N 3.48Å; Q26-A29 PolarHBondContact O-N 3.44Å; Q26-Y30 HydrophobicContact CG-CD2 3.76Å; Q26-Y30 HydrophobicContact CG-CE2 3.33Å; Q26-Y30 PolarHBondContact NE2-OH 3.23Å; Q26-Y30 WeakPolarHBondContact O-CD2 3.35Å; Q26-Y30 PolarHBondContact O-N 3Å
27I97.7Very high97.1Very high20 Ų2079.3 Ų79.310%0.10342%0.417CS..Hα-helixtrans-59.9-46.6175.1-66.1163.9000110.3I23 I24 A29 Y30 Q31 Y37 F62 I71I23-I27 HydrophobicContact CG2-CD1 4.15Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.2Å; I24-I27 PolarHBondContact O-N 2.94Å; I27-A29 VanDerWaalsContact C-N 3.35Å; I27-A29 PolarHBondContact O-N 2.94Å; I27-Y30 PolarHBondContact O-N 3.46Å; I27-Q31 HydrophobicContact CG2-CG 4.48Å; I27-Q31 WeakPolarHBondContact O-CG 3.44Å; I27-Q31 PolarHBondContact O-N 3.05Å; I27-Y37 HydrophobicContact CD1-CD2 4.21Å; I27-Y37 HydrophobicContact CD1-CE2 3.93Å; I27-Y37 HydrophobicContact CG1-CD2 4.18Å; I27-Y37 HydrophobicContact CG1-CE2 4.36Å; I27-Y37 HydrophobicContact CG2-CD2 3.95Å; I27-Y37 HydrophobicContact CG2-CG 3.95Å; I27-F62 HydrophobicContact CD1-CE2 4.34Å; I27-I71 HydrophobicContact CB-CD1 3.97Å; I27-I71 HydrophobicContact CD1-CD1 4.33Å; I27-I71 HydrophobicContact CG2-CD1 3.73Å; I27-I71 HydrophobicContact CG2-CG1 4.03Å; I27-I71 HydrophobicContact CG2-CG2 3.92Å
28Q97.4Very high97Very high83 Ų8378.8 Ų78.839%0.38842%0.415SS..Hα-helixtrans-62.7-40.1177.8-70.8179-37.100112.4I24 Q25 Q26 Y30 Q31 A32 I71I24-Q28 WeakPolarHBondContact O-CG 3.34Å; I24-Q28 PolarHBondContact O-N 3.48Å; Q25-Q28 PolarHBondContact O-N 2.95Å; Q26-Q28 VanDerWaalsContact C-N 3.34Å; Q26-Q28 PolarHBondContact O-N 3.48Å; Q28-Y30 VanDerWaalsContact C-N 3.34Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q28-A32 WeakPolarHBondContact O-CB 3.37Å; Q28-A32 PolarHBondContact O-N 3.18Å; Q28-I71 HydrophobicContact CG-CD1 4.32Å
29A98.2Very high96.9Very high56 Ų5675.6 Ų75.646%0.46340%0.399SS..Hα-helixtrans-63.1-41.217600000111.6Q25 Q26 I27 A32 E33Q25-A29 WeakPolarHBondContact O-CB 3.33Å; Q25-A29 PolarHBondContact O-N 2.99Å; Q26-A29 PolarHBondContact O-N 3.44Å; I27-A29 VanDerWaalsContact C-N 3.35Å; I27-A29 PolarHBondContact O-N 2.94Å; A29-A32 PolarHBondContact O-N 2.87Å; A29-E33 PolarHBondContact O-N 2.89Å
30Y97.8Very high96.9Very high116 Ų11671.5 Ų71.546%0.45538%0.379SS..Hα-helixtrans-64.3-44.2174.1-75.8-46.8000112.1Q26 I27 Q28 A32 E33 G34 Y35Q26-Y30 HydrophobicContact CG-CD2 3.76Å; Q26-Y30 HydrophobicContact CG-CE2 3.33Å; Q26-Y30 PolarHBondContact NE2-OH 3.23Å; Q26-Y30 WeakPolarHBondContact O-CD2 3.35Å; Q26-Y30 PolarHBondContact O-N 3Å; I27-Y30 PolarHBondContact O-N 3.46Å; Q28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-A32 VanDerWaalsContact C-N 3.28Å; Y30-A32 PolarHBondContact O-N 2.98Å; Y30-E33 CarbonylContact O-C 3.19Å; Y30-E33 PolarHBondContact O-N 2.91Å; Y30-E33 VanDerWaalsContact O-N 3.08Å; Y30-G34 PolarHBondContact O-N 3.42Å; Y30-Y35 HydrophobicContact CD1-CD2 4.07Å; Y30-Y35 HydrophobicContact CD1-CE2 4.37Å; Y30-Y35 HydrophobicContact CD1-CG 4.31Å; Y30-Y35 WeakPolarHBondContact O-CB 3.37Å; Y30-Y35 WeakPolarHBondContact O-CD2 3.35Å; Y30-Y35 PolarHBondContact O-N 3.46Å
31Q95Very high96.7Very high77 Ų7775.8 Ų75.836%0.3640%0.401SS..Hα-helixtrans-61.2-36.8175.8-71.5179.9-53.800112.5I27 Q28 E33 G34 Y35I27-Q31 HydrophobicContact CG2-CG 4.48Å; I27-Q31 WeakPolarHBondContact O-CG 3.44Å; I27-Q31 PolarHBondContact O-N 3.05Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q31-E33 PolarHBondContact O-N 3.09Å; Q31-G34 PolarHBondContact O-N 3.42Å; Q31-G34 VanDerWaalsContact O-N 3.07Å; Q31-Y35 WeakPolarHBondContact CA-O 3.39Å
32A96.4Very high96.6Very high80 Ų8072.4 Ų72.466%0.66139%0.386SS*.Hα-helixtrans-63.2-28.117600000113Q28 A29 Y30 G34Q28-A32 WeakPolarHBondContact O-CB 3.37Å; Q28-A32 PolarHBondContact O-N 3.18Å; A29-A32 PolarHBondContact O-N 2.87Å; Y30-A32 VanDerWaalsContact C-N 3.28Å; Y30-A32 PolarHBondContact O-N 2.98Å; A32-G34 VanDerWaalsContact C-N 3.34Å
33E97.9Very high96.4Very high152 Ų15273.4 Ų73.471%0.7139%0.386SS*.THydrogen-bonded Turntrans-9413.1176.3-61.4-59.8143.400113A29 Y30 Q31 Y35A29-E33 PolarHBondContact O-N 2.89Å; Y30-E33 CarbonylContact O-C 3.19Å; Y30-E33 PolarHBondContact O-N 2.91Å; Y30-E33 VanDerWaalsContact O-N 3.08Å; Q31-E33 PolarHBondContact O-N 3.09Å; E33-Y35 HydrophobicContact CB-CD2 3.92Å; E33-Y35 HydrophobicContact CB-CE2 3.99Å
34G95.1Very high96.2Very high66 Ų6673.1 Ų73.168%0.6838%0.383SS*.THydrogen-bonded Turntrans80.810.3175.700000115.1Y30 Q31 A32Y30-G34 PolarHBondContact O-N 3.42Å; Q31-G34 PolarHBondContact O-N 3.42Å; Q31-G34 VanDerWaalsContact O-N 3.07Å; A32-G34 VanDerWaalsContact C-N 3.34Å
35Y95.5Very high95.9Very high150 Ų15079 Ų7959%0.58841%0.411SS*.  trans-75.7140.6170.6-66.9-98.2000110.4Y30 Q31 E33Y30-Y35 HydrophobicContact CD1-CD2 4.07Å; Y30-Y35 HydrophobicContact CD1-CE2 4.37Å; Y30-Y35 HydrophobicContact CD1-CG 4.31Å; Y30-Y35 WeakPolarHBondContact O-CB 3.37Å; Y30-Y35 WeakPolarHBondContact O-CD2 3.35Å; Y30-Y35 PolarHBondContact O-N 3.46Å; Q31-Y35 WeakPolarHBondContact CA-O 3.39Å; E33-Y35 HydrophobicContact CB-CD2 3.92Å; E33-Y35 HydrophobicContact CB-CE2 3.99Å
36Q92.5Very high95.7Very high119 Ų11974.8 Ų74.856%0.55639%0.394SS*.  trans-92.3128.1175.5-67.6-179-52.600110.7L38Q36-L38 HydrophobicContact CB-CD2 4.28Å; Q36-L38 PolarHBondContact O-N 3.28Å
37Y94.9Very high95.5Very high40 Ų4071.8 Ų71.816%0.15738%0.383CS..  trans-84.1109.9168.6173.2-98.5000109.3I27 G39 I40 F62 I71 G72 N104I27-Y37 HydrophobicContact CD1-CD2 4.21Å; I27-Y37 HydrophobicContact CD1-CE2 3.93Å; I27-Y37 HydrophobicContact CG1-CD2 4.18Å; I27-Y37 HydrophobicContact CG1-CE2 4.36Å; I27-Y37 HydrophobicContact CG2-CD2 3.95Å; I27-Y37 HydrophobicContact CG2-CG 3.95Å; Y37-G39 VanDerWaalsContact CE1-CA 3.49Å; Y37-G39 WeakPolarHBondContact CE2-O 3.39Å; Y37-G39 PolarHBondContact OH-O 2.92Å; Y37-I40 WeakPolarHBondContact OH-CB 3.46Å; Y37-I40 PolarHBondContact OH-N 3.33Å; Y37-F62 WeakPolarHBondContact OH-CZ 3.04Å; Y37-I71 HydrophobicContact CD1-CG2 3.58Å; Y37-I71 HydrophobicContact CE1-CG2 3.62Å; Y37-I71 HydrophobicContact CG-CG2 4.18Å; Y37-G72 VanDerWaalsContact CE1-O 3.23Å; Y37-G72 WeakPolarHBondContact CE1-O 3.43Å; Y37-N104 PolarHBondContact O-ND2 3.31Å; Y37-N104 VanDerWaalsContact O-ND2 3.11Å
38L95.6Very high95.4Very high52 Ų5271.6 Ų71.627%0.27238%0.382SS..  trans-79.7-27.6-175.8-56.4-175.8000112.9Q36 N74 L98 G101 L102 N104Q36-L38 HydrophobicContact CB-CD2 4.28Å; Q36-L38 PolarHBondContact O-N 3.28Å; L38-N74 WeakPolarHBondContact O-CB 3.46Å; L38-N74 PolarHBondContact O-ND2 3.38Å; L38-L98 HydrophobicContact CD1-CD2 3.8Å; L38-G101 VanDerWaalsContact O-CA 3.25Å; L38-G101 WeakPolarHBondContact O-CA 3.25Å; L38-L102 HydrophobicContact CD2-CD2 3.86Å; L38-L102 HydrophobicContact CD2-CG 4.2Å; L38-N104 PolarHBondContact O-ND2 3.24Å; L38-N104 VanDerWaalsContact O-ND2 3.09Å
39G95.9Very high95.2Very high16 Ų1669.2 Ų69.217%0.16537%0.374CS..  trans145.2-173-177.700000113Y37 N74Y37-G39 VanDerWaalsContact CE1-CA 3.49Å; Y37-G39 WeakPolarHBondContact CE2-O 3.39Å; Y37-G39 PolarHBondContact OH-O 2.92Å; G39-N74 CarbonylContact C-O 3.59Å; G39-N74 WeakPolarHBondContact CA-O 3.49Å
40I96.9Very high95.1Very high31 Ų3166.8 Ų66.816%0.15935%0.354CS..EExtended strand (participates in β ladder)trans-112.2146.1178.3-175.6163.1000111.2Y37 I51 M59 F62 F63 N74 Y75 L76Y37-I40 WeakPolarHBondContact OH-CB 3.46Å; Y37-I40 PolarHBondContact OH-N 3.33Å; I40-I51 HydrophobicContact CG2-CD1 3.76Å; I40-M59 HydrophobicContact CD1-CE 3.99Å; I40-M59 HydrophobicContact CD1-SD 3.74Å; I40-F62 HydrophobicContact CB-CE1 3.86Å; I40-F62 HydrophobicContact CB-CZ 4.28Å; I40-F62 HydrophobicContact CD1-CD1 3.6Å; I40-F62 HydrophobicContact CD1-CE1 3.38Å; I40-F62 HydrophobicContact CD1-CE2 4.41Å; I40-F62 HydrophobicContact CD1-CG 4.25Å; I40-F62 HydrophobicContact CD1-CZ 3.81Å; I40-F62 HydrophobicContact CG1-CE1 4.21Å; I40-F62 HydrophobicContact CG2-CD1 4.44Å; I40-F62 HydrophobicContact CG2-CE1 3.76Å; I40-F63 HydrophobicContact CG2-CE2 4.11Å; I40-F63 HydrophobicContact CG2-CZ 3.94Å; I40-N74 PolarHBondContact N-O 2.95Å; I40-Y75 CarbonylContact O-C 3.32Å; I40-Y75 WeakPolarHBondContact O-CA 3.5Å; I40-L76 PolarHBondContact O-N 3.32Å
41I95.9Very high95Very high95 Ų9561.3 Ų61.349%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-103.6116.1169.2-57.4178.3000108.4L76 V78 F97I41-L76 CarbonylContact C-O 3.57Å; I41-L76 WeakPolarHBondContact CA-O 3.49Å; I41-L76 HydrophobicContact CG1-CB 4.38Å; I41-V78 HydrophobicContact CG2-CG2 3.6Å; I41-F97 HydrophobicContact CG1-CE1 4.3Å; I41-F97 HydrophobicContact CG1-CZ 4.42Å
42G94.6Very high94.9Very high2 Ų259.5 Ų59.52%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-96-178.2173.200000112.6L76 E77 V78G42-L76 PolarHBondContact N-O 2.97Å; G42-E77 WeakPolarHBondContact O-CA 3.48Å; G42-V78 PolarHBondContact O-N 3.39Å
43I94.1Very high94.7Very high94 Ų9459.6 Ų59.648%0.48234%0.337SS..EExtended strand (participates in β ladder)trans-121.7117174.6-58.9173.9000107S46 C49 S50I43-S46 VanDerWaalsContact O-CB 3.22Å; I43-S46 WeakPolarHBondContact O-CB 3.32Å; I43-S46 PolarHBondContact O-N 3.44Å; I43-S46 VanDerWaalsContact O-N 3.15Å; I43-C49 PolarHBondContact N-O 2.85Å; I43-S50 WeakPolarHBondContact O-CA 3.29Å; I43-S50 PolarHBondContact O-N 3.27Å
44H93.6Very high94.6Very high65 Ų6557.4 Ų57.430%0.30133%0.327SS..THydrogen-bonded Turntrans-56.8141.6-179.6-172.7-119.1000110.2S46 E77 V78 T80H44-S46 PolarHBondContact O-N 3.48Å; H44-E77 HydrophobicContact CB-CB 4.16Å; H44-V78 WeakPolarHBondContact CB-O 3.4Å; H44-V78 PolarHBondContact N-O 3.29Å; H44-T80 WeakPolarHBondContact O-CG2 3.39Å
45E92.4Very high94.6Very high130 Ų13057.2 Ų57.261%0.60731%0.306SS*.THydrogen-bonded Turntrans63.83.2-178.4-63.9169.2-163.700115.6P47 S50 T80E45-P47 WeakPolarHBondContact O-CD 3.17Å; E45-S50 PolarHBondContact N-OG 3.15Å; E45-T80 HydrophobicContact CB-CG2 4.33Å
46S94.8Very high94.7Very high26 Ų2650.1 Ų50.118%0.18228%0.278CS..  trans-69.9121.3172.3176.80000110.6I43 H44 N48 C49 S50I43-S46 VanDerWaalsContact O-CB 3.22Å; I43-S46 WeakPolarHBondContact O-CB 3.32Å; I43-S46 PolarHBondContact O-N 3.44Å; I43-S46 VanDerWaalsContact O-N 3.15Å; H44-S46 PolarHBondContact O-N 3.48Å; S46-N48 PolarHBondContact O-N 3.28Å; S46-N48 PolarHBondContact OG-N 3.34Å; S46-C49 PolarHBondContact O-N 3.49Å; S46-C49 WeakPolarHBondContact OG-CB 3.49Å; S46-C49 PolarHBondContact OG-N 2.78Å; S46-S50 WeakPolarHBondContact O-CB 3.36Å; S46-S50 PolarHBondContact O-N 2.98Å
47P93.7Very high94.9Very high37 Ų3744.4 Ų44.424%0.2425%0.251CS..THydrogen-bonded Turntrans-66.7-6.6179.521.4-25.2000113.4M1 Y3 Y6 E45 G56 V57M1-P47 WeakPolarHBondContact O-CG 3.46Å; Y3-P47 VanDerWaalsContact N-CB 3.28Å; Y6-P47 HydrophobicContact CD2-CB 4.15Å; Y6-P47 HydrophobicContact CD2-CG 4.29Å; Y6-P47 HydrophobicContact CE2-CB 4.41Å; Y6-P47 HydrophobicContact CE2-CG 4.07Å; E45-P47 WeakPolarHBondContact O-CD 3.17Å; P47-G56 WeakPolarHBondContact O-CA 3.36Å; P47-V57 PolarHBondContact O-N 2.78Å
48N94.7Very high95Very high17 Ų1743.7 Ų43.79%0.09125%0.25CC..THydrogen-bonded Turntrans-115.2-34.2174.8-162.250.8000113.1Y6 Y12 S46 G56 L58 M59Y6-N48 HydrophobicContact CD2-CB 4.28Å; Y6-N48 HydrophobicContact CE1-CB 4.34Å; Y6-N48 HydrophobicContact CE2-CB 3.91Å; Y12-N48 PolarHBondContact OH-ND2 2.83Å; Y12-N48 VanDerWaalsContact OH-ND2 3.12Å; Y12-N48 PolarHBondContact OH-OD1 3.11Å; S46-N48 PolarHBondContact O-N 3.28Å; S46-N48 PolarHBondContact OG-N 3.34Å; N48-G56 CarbonylContact O-C 3.51Å; N48-G56 WeakPolarHBondContact O-CA 3.41Å; N48-L58 WeakPolarHBondContact ND2-CB 3.35Å; N48-L58 WeakPolarHBondContact O-CB 3.35Å; N48-L58 PolarHBondContact O-N 3.39Å; N48-L58 WeakPolarHBondContact OD1-CB 3.42Å; N48-L58 PolarHBondContact OD1-N 3.12Å; N48-L58 VanDerWaalsContact OD1-N 3.17Å; N48-M59 PolarHBondContact O-N 3.15Å
49C94.3Very high95.2Very high32 Ų3241.8 Ų41.822%0.21624%0.239CC..THydrogen-bonded Turntrans-117.31.7-170.8-55.60000115.6I43 S46 M59I43-C49 PolarHBondContact N-O 2.85Å; S46-C49 PolarHBondContact O-N 3.49Å; S46-C49 WeakPolarHBondContact OG-CB 3.49Å; S46-C49 PolarHBondContact OG-N 2.78Å; C49-M59 WeakPolarHBondContact O-CG 3.41Å
50S95.2Very high95.3Very high5 Ų543.3 Ų43.34%0.03524%0.242CC..  trans-69.9145.2172.7-164.80000109.7I43 E45 S46 S52 Q54 R55 G56 M59 E77I43-S50 WeakPolarHBondContact O-CA 3.29Å; I43-S50 PolarHBondContact O-N 3.27Å; E45-S50 PolarHBondContact N-OG 3.15Å; S46-S50 WeakPolarHBondContact O-CB 3.36Å; S46-S50 PolarHBondContact O-N 2.98Å; S50-S52 PolarHBondContact OG-O 2.86Å; S50-Q54 WeakPolarHBondContact CB-O 3.49Å; S50-R55 CarbonylContact O-C 3.58Å; S50-R55 WeakPolarHBondContact O-CA 3.48Å; S50-G56 PolarHBondContact O-N 3.39Å; S50-M59 WeakPolarHBondContact O-CB 3.34Å; S50-M59 WeakPolarHBondContact O-CG 3.48Å; S50-E77 WeakPolarHBondContact CA-OE1 3.4Å; S50-E77 PolarHBondContact OG-OE1 3.28Å; S50-E77 VanDerWaalsContact OG-OE1 3.13Å
51I95.9Very high95.3Very high2 Ų242.7 Ų42.71%0.0124%0.239CC..  trans-115.7-47.1-174.3-58.4176.1000110.4I40 R55 M59 F63 Y75 E77I40-I51 HydrophobicContact CG2-CD1 3.76Å; I51-R55 PolarHBondContact O-NE 3.25Å; I51-R55 PolarHBondContact O-NH2 3.11Å; I51-M59 HydrophobicContact CD1-SD 4.27Å; I51-M59 HydrophobicContact CG1-CB 4.47Å; I51-M59 HydrophobicContact CG1-CG 3.95Å; I51-M59 HydrophobicContact CG1-SD 4Å; I51-F63 HydrophobicContact CD1-CE2 4.24Å; I51-F63 HydrophobicContact CD1-CZ 4.27Å; I51-F63 HydrophobicContact CG1-CE2 4.19Å; I51-F63 HydrophobicContact CG1-CZ 4.46Å; I51-F63 HydrophobicContact CG2-CE1 4.3Å; I51-F63 HydrophobicContact CG2-CE2 3.8Å; I51-F63 HydrophobicContact CG2-CZ 3.45Å; I51-F63 VanDerWaalsContact CG2-CZ 3.45Å; I51-Y75 HydrophobicContact CB-CD2 3.82Å; I51-Y75 HydrophobicContact CB-CE2 4.08Å; I51-Y75 HydrophobicContact CB-CG 4.24Å; I51-Y75 HydrophobicContact CD1-CD2 4.04Å; I51-Y75 HydrophobicContact CD1-CG 4.08Å; I51-Y75 HydrophobicContact CG2-CD1 3.71Å; I51-Y75 HydrophobicContact CG2-CD2 3.49Å; I51-Y75 VanDerWaalsContact CG2-CD2 3.49Å; I51-Y75 HydrophobicContact CG2-CE1 3.94Å; I51-Y75 HydrophobicContact CG2-CE2 3.72Å; I51-Y75 HydrophobicContact CG2-CG 3.49Å; I51-Y75 VanDerWaalsContact CG2-CG 3.49Å; I51-E77 HydrophobicContact CB-CG 4.06Å; I51-E77 HydrophobicContact CD1-CG 4.35Å; I51-E77 HydrophobicContact CG1-CG 4.32Å; I51-E77 PolarHBondContact N-OE1 2.9Å
52S93Very high95.4Very high39 Ų3938.5 Ų38.527%0.27322%0.217SC..SBendtrans-87.2168.4170.377.10000111.1S50 Q54 E77S50-S52 PolarHBondContact OG-O 2.86Å; S52-Q54 PolarHBondContact O-N 3.47Å; S52-E77 WeakPolarHBondContact CB-OE2 3.36Å; S52-E77 PolarHBondContact N-OE1 3.3Å; S52-E77 PolarHBondContact N-OE2 2.96Å; S52-E77 PolarHBondContact OG-OE2 3.45Å
53G92.7Very high95.6Very high82 Ų8239.6 Ų39.685%0.84522%0.221SC*.SBendtrans60.8-124.2-175.600000112R55G53-R55 PolarHBondContact O-N 3.11Å
54Q94.5Very high95.7Very high105 Ų10536.9 Ų36.949%0.49121%0.213SC..SBendtrans-78.199170.7179.857.463.400109.2Y3 S50 S52 G56Y3-Q54 HydrophobicContact CD2-CG 4.11Å; Y3-Q54 HydrophobicContact CG-CG 4.04Å; Y3-Q54 VanDerWaalsContact CZ-NE2 3.33Å; S50-Q54 WeakPolarHBondContact CB-O 3.49Å; S52-Q54 PolarHBondContact O-N 3.47Å; Q54-G56 PolarHBondContact O-N 3.38Å
55R95.9Very high95.9Very high63 Ų6334.8 Ų34.824%0.23820%0.203CC..  trans-59.2131174.6-170.3171.5-66.3-109.3-11.7110Y3 S50 I51 G53 M59 E60Y3-R55 WeakPolarHBondContact CD2-O 3.16Å; Y3-R55 WeakPolarHBondContact CE2-O 3.36Å; S50-R55 CarbonylContact O-C 3.58Å; S50-R55 WeakPolarHBondContact O-CA 3.48Å; I51-R55 PolarHBondContact O-NE 3.25Å; I51-R55 PolarHBondContact O-NH2 3.11Å; G53-R55 PolarHBondContact O-N 3.11Å; R55-M59 HydrophobicContact CG-CB 3.76Å; R55-E60 HydrophobicContact CB-CG 4.04Å; R55-E60 HydrophobicContact CG-CG 3.74Å
56G96.8Very high96.1Very high0 Ų028.6 Ų28.60%017%0.174CC..  trans-72.8153.3178.500000111.9P47 N48 S50 Q54 L58 M59 E60P47-G56 WeakPolarHBondContact O-CA 3.36Å; N48-G56 CarbonylContact O-C 3.51Å; N48-G56 WeakPolarHBondContact O-CA 3.41Å; S50-G56 PolarHBondContact O-N 3.39Å; Q54-G56 PolarHBondContact O-N 3.38Å; G56-L58 PolarHBondContact O-N 3.19Å; G56-M59 CarbonylContact O-C 3.56Å; G56-M59 WeakPolarHBondContact O-CA 3.48Å; G56-M59 PolarHBondContact O-N 3.4Å; G56-E60 PolarHBondContact O-N 2.88Å
57V97.7Very high96.2Very high0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-58-43.4-171.1-179.70000112.7Y3 R7 Y12 R13 P47 M59 E60 E61Y3-V57 HydrophobicContact CD2-CG2 3.74Å; Y3-V57 HydrophobicContact CE2-CG2 3.58Å; R7-V57 HydrophobicContact CB-CG2 4.25Å; Y12-V57 HydrophobicContact CD1-CB 4.34Å; Y12-V57 HydrophobicContact CD1-CG1 3.73Å; Y12-V57 HydrophobicContact CE1-CB 3.96Å; Y12-V57 HydrophobicContact CE1-CG1 3.75Å; R13-V57 HydrophobicContact CG-CG1 3.89Å; P47-V57 PolarHBondContact O-N 2.78Å; V57-M59 VanDerWaalsContact C-N 3.33Å; V57-M59 PolarHBondContact O-N 3.38Å; V57-E60 PolarHBondContact O-N 3.11Å; V57-E61 PolarHBondContact O-N 2.87Å
58L97.8Very high96.3Very high24 Ų2439.9 Ų39.913%0.12622%0.221CC..Hα-helixtrans-63.2-38.2174.8177.266.8000112.2C16 L20 N48 G56 E61 F62C16-L58 HydrophobicContact CB-CD1 3.8Å; L20-L58 HydrophobicContact CD1-CD1 3.87Å; L20-L58 HydrophobicContact CD2-CD1 3.98Å; L20-L58 HydrophobicContact CG-CD1 3.87Å; N48-L58 WeakPolarHBondContact ND2-CB 3.35Å; N48-L58 WeakPolarHBondContact O-CB 3.35Å; N48-L58 PolarHBondContact O-N 3.39Å; N48-L58 WeakPolarHBondContact OD1-CB 3.42Å; N48-L58 PolarHBondContact OD1-N 3.12Å; N48-L58 VanDerWaalsContact OD1-N 3.17Å; G56-L58 PolarHBondContact O-N 3.19Å; L58-E61 PolarHBondContact O-N 2.96Å; L58-F62 WeakPolarHBondContact O-CB 3.36Å; L58-F62 PolarHBondContact O-N 3.34Å
59M97.9Very high96.3Very high12 Ų1240 Ų406%0.05922%0.224CC..Hα-helixtrans-72.1-27.7177.7-65.4-62.5101.700113I40 N48 C49 S50 I51 R55 G56 V57 F62 F63I40-M59 HydrophobicContact CD1-CE 3.99Å; I40-M59 HydrophobicContact CD1-SD 3.74Å; N48-M59 PolarHBondContact O-N 3.15Å; C49-M59 WeakPolarHBondContact O-CG 3.41Å; S50-M59 WeakPolarHBondContact O-CB 3.34Å; S50-M59 WeakPolarHBondContact O-CG 3.48Å; I51-M59 HydrophobicContact CD1-SD 4.27Å; I51-M59 HydrophobicContact CG1-CB 4.47Å; I51-M59 HydrophobicContact CG1-CG 3.95Å; I51-M59 HydrophobicContact CG1-SD 4Å; R55-M59 HydrophobicContact CG-CB 3.76Å; G56-M59 CarbonylContact O-C 3.56Å; G56-M59 WeakPolarHBondContact O-CA 3.48Å; G56-M59 PolarHBondContact O-N 3.4Å; V57-M59 VanDerWaalsContact C-N 3.33Å; V57-M59 PolarHBondContact O-N 3.38Å; M59-F62 HydrophobicContact CE-CB 4.25Å; M59-F62 HydrophobicContact SD-CD1 4.36Å; M59-F63 HydrophobicContact CB-CD2 4.48Å; M59-F63 WeakPolarHBondContact O-CD2 3.35Å; M59-F63 PolarHBondContact O-N 2.9Å; M59-F63 VanDerWaalsContact O-N 3.11Å; M59-F63 HydrophobicContact SD-CE2 4.35Å
60E97.9Very high96.3Very high48 Ų4847.4 Ų47.422%0.22425%0.253CS..Hα-helixtrans-62.2-48.8170.3-67.9178178.200110.4Y3 R13 R55 G56 V57 A64Y3-E60 WeakPolarHBondContact CE2-OE1 3.42Å; Y3-E60 PolarHBondContact OH-OE1 3.4Å; Y3-E60 PolarHBondContact OH-OE2 3.17Å; R13-E60 IonicContact CZ-OE2 3.15Å; R13-E60 IonicContact NH1-OE2 2.73Å; R13-E60 PolarHBondContact NH1-OE2 2.91Å; R13-E60 IonicContact NH2-OE2 2.66Å; R13-E60 PolarHBondContact NH2-OE2 3.27Å; R55-E60 HydrophobicContact CB-CG 4.04Å; R55-E60 HydrophobicContact CG-CG 3.74Å; G56-E60 PolarHBondContact O-N 2.88Å; V57-E60 PolarHBondContact O-N 3.11Å; E60-A64 WeakPolarHBondContact O-CB 3.24Å; E60-A64 PolarHBondContact O-N 2.89Å; E60-A64 VanDerWaalsContact O-N 3.11Å
61E98.1Very high96.3Very high18 Ų1847.6 Ų47.68%0.08425%0.253CS..Hα-helixtrans-65.8-42.2177.5-57-53.8144.200111.6R13 C16 Q17 L20 V57 L58 F63 A64 E65R13-E61 HydrophobicContact CB-CG 4.42Å; R13-E61 VanDerWaalsContact CD-OE1 3.28Å; R13-E61 WeakPolarHBondContact CD-OE1 3.48Å; R13-E61 WeakPolarHBondContact CG-OE1 3.44Å; R13-E61 IonicContact CZ-OE1 3.9Å; R13-E61 IonicContact NE-OE1 3.57Å; R13-E61 IonicContact NH1-OE1 3.81Å; R13-E61 PolarHBondContact NH1-OE1 2.93Å; C16-E61 HydrophobicContact CB-CB 4.13Å; C16-E61 HydrophobicContact CB-CG 3.85Å; Q17-E61 HydrophobicContact CG-CB 4.35Å; Q17-E61 HydrophobicContact CG-CG 4.32Å; Q17-E61 WeakPolarHBondContact CG-OE2 3.22Å; Q17-E61 PolarHBondContact NE2-OE2 2.91Å; L20-E61 HydrophobicContact CD1-CB 3.66Å; V57-E61 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 2.96Å; E61-F63 PolarHBondContact O-N 3.4Å; E61-A64 PolarHBondContact O-N 3.25Å; E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.27Å
62F98.3Very high96.1Very high7 Ų748.5 Ų48.53%0.03126%0.264CS..Hα-helixtrans-59-45.9179.4174.7-110.4000112.5L20 I24 I27 Y37 I40 L58 M59 E65 C66L20-F62 HydrophobicContact CD1-CB 3.93Å; L20-F62 VanDerWaalsContact CD1-N 3.28Å; L20-F62 HydrophobicContact CD2-CB 4.01Å; L20-F62 HydrophobicContact CD2-CD2 3.8Å; L20-F62 HydrophobicContact CD2-CG 4.33Å; I24-F62 HydrophobicContact CD1-CD2 4.2Å; I24-F62 HydrophobicContact CD1-CE2 4.04Å; I27-F62 HydrophobicContact CD1-CE2 4.34Å; Y37-F62 WeakPolarHBondContact OH-CZ 3.04Å; I40-F62 HydrophobicContact CB-CE1 3.86Å; I40-F62 HydrophobicContact CB-CZ 4.28Å; I40-F62 HydrophobicContact CD1-CD1 3.6Å; I40-F62 HydrophobicContact CD1-CE1 3.38Å; I40-F62 HydrophobicContact CD1-CE2 4.41Å; I40-F62 HydrophobicContact CD1-CG 4.25Å; I40-F62 HydrophobicContact CD1-CZ 3.81Å; I40-F62 HydrophobicContact CG1-CE1 4.21Å; I40-F62 HydrophobicContact CG2-CD1 4.44Å; I40-F62 HydrophobicContact CG2-CE1 3.76Å; L58-F62 WeakPolarHBondContact O-CB 3.36Å; L58-F62 PolarHBondContact O-N 3.34Å; M59-F62 HydrophobicContact CE-CB 4.25Å; M59-F62 HydrophobicContact SD-CD1 4.36Å; F62-E65 PolarHBondContact O-N 3.37Å; F62-C66 WeakPolarHBondContact CE2-SG 3.07Å; F62-C66 WeakPolarHBondContact CZ-SG 3.47Å; F62-C66 WeakPolarHBondContact O-CB 3.49Å; F62-C66 PolarHBondContact O-N 2.91Å; F62-C66 PolarHBondContact O-SG 2.93Å
63F97.5Very high96.2Very high25 Ų2550.2 Ų50.211%0.1127%0.273CS..Hα-helixtrans-74.3-29.6-179.2-80.5-109.1000112.4I40 I51 M59 E61 C66 Q67 T73 Y75I40-F63 HydrophobicContact CG2-CE2 4.11Å; I40-F63 HydrophobicContact CG2-CZ 3.94Å; I51-F63 HydrophobicContact CD1-CE2 4.24Å; I51-F63 HydrophobicContact CD1-CZ 4.27Å; I51-F63 HydrophobicContact CG1-CE2 4.19Å; I51-F63 HydrophobicContact CG1-CZ 4.46Å; I51-F63 HydrophobicContact CG2-CE1 4.3Å; I51-F63 HydrophobicContact CG2-CE2 3.8Å; I51-F63 HydrophobicContact CG2-CZ 3.45Å; I51-F63 VanDerWaalsContact CG2-CZ 3.45Å; M59-F63 HydrophobicContact CB-CD2 4.48Å; M59-F63 WeakPolarHBondContact O-CD2 3.35Å; M59-F63 PolarHBondContact O-N 2.9Å; M59-F63 VanDerWaalsContact O-N 3.11Å; M59-F63 HydrophobicContact SD-CE2 4.35Å; E61-F63 PolarHBondContact O-N 3.4Å; F63-C66 PolarHBondContact O-N 3.08Å; F63-Q67 WeakPolarHBondContact O-CB 3.14Å; F63-Q67 PolarHBondContact O-N 3.42Å; F63-T73 HydrophobicContact CD1-CG2 3.77Å; F63-T73 HydrophobicContact CE1-CG2 4.19Å; F63-Y75 HydrophobicContact CZ-CD1 4.38Å
64A97.7Very high96.3Very high37 Ų3746.7 Ų46.731%0.30623%0.234SC..Hα-helixtrans-63.2-44.7170.500000111.2E60 E61 Q67 Q68E60-A64 WeakPolarHBondContact O-CB 3.24Å; E60-A64 PolarHBondContact O-N 2.89Å; E60-A64 VanDerWaalsContact O-N 3.11Å; E61-A64 PolarHBondContact O-N 3.25Å; A64-Q67 PolarHBondContact O-N 3.15Å; A64-Q68 WeakPolarHBondContact O-CG 3.49Å; A64-Q68 PolarHBondContact O-N 2.54Å; A64-Q68 VanDerWaalsContact O-N 3.12Å
65E97.6Very high96.4Very high22 Ų2246 Ų4610%0.10323%0.228CC..Hα-helixtrans-65.2-42.7175-69.1-67.4162.300111.9Q21 I24 E61 F62 Q67 Q68 A69Q21-E65 PolarHBondContact NE2-OE1 3.08Å; Q21-E65 PolarHBondContact NE2-OE2 3.19Å; I24-E65 HydrophobicContact CD1-CB 3.8Å; I24-E65 HydrophobicContact CG1-CB 3.85Å; E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.27Å; F62-E65 PolarHBondContact O-N 3.37Å; E65-Q67 VanDerWaalsContact C-N 3.31Å; E65-Q67 PolarHBondContact O-N 3.29Å; E65-Q68 PolarHBondContact O-N 2.96Å; E65-A69 VanDerWaalsContact O-CB 3.26Å; E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.39Å
66C96.7Very high96.4Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-59.1-42.9175.5-71.50000111.8F62 F63 Q68 A69 K70 I71 T73F62-C66 WeakPolarHBondContact CE2-SG 3.07Å; F62-C66 WeakPolarHBondContact CZ-SG 3.47Å; F62-C66 WeakPolarHBondContact O-CB 3.49Å; F62-C66 PolarHBondContact O-N 2.91Å; F62-C66 PolarHBondContact O-SG 2.93Å; F63-C66 PolarHBondContact O-N 3.08Å; C66-Q68 VanDerWaalsContact C-N 3.34Å; C66-Q68 PolarHBondContact O-N 3.27Å; C66-A69 CarbonylContact O-C 3.54Å; C66-A69 PolarHBondContact O-N 2.94Å; C66-K70 WeakPolarHBondContact O-CA 3.34Å; C66-K70 PolarHBondContact O-N 2.7Å; C66-I71 HydrophobicContact CB-CB 4.03Å; C66-I71 HydrophobicContact CB-CG2 4.45Å; C66-I71 PolarHBondContact O-N 2.89Å; C66-T73 HydrophobicContact CB-CG2 4.27Å
67Q95.8Very high96.4Very high156 Ų15644.4 Ų44.473%0.72922%0.223SC*.Hα-helixtrans-62.6-41.4177.5-174.7178.61.600111.7F63 A64 E65 K70F63-Q67 WeakPolarHBondContact O-CB 3.14Å; F63-Q67 PolarHBondContact O-N 3.42Å; A64-Q67 PolarHBondContact O-N 3.15Å; E65-Q67 VanDerWaalsContact C-N 3.31Å; E65-Q67 PolarHBondContact O-N 3.29Å; Q67-K70 PolarHBondContact O-N 2.97Å
68Q96.4Very high96.2Very high143 Ų14346.1 Ų46.167%0.66823%0.233SC*.Hα-helixtrans-65.6-41.6175.9-69.2175.446.600111.7A64 E65 C66 K70A64-Q68 WeakPolarHBondContact O-CG 3.49Å; A64-Q68 PolarHBondContact O-N 2.54Å; A64-Q68 VanDerWaalsContact O-N 3.12Å; E65-Q68 PolarHBondContact O-N 2.96Å; C66-Q68 VanDerWaalsContact C-N 3.34Å; C66-Q68 PolarHBondContact O-N 3.27Å; Q68-K70 VanDerWaalsContact C-N 3.27Å; Q68-K70 PolarHBondContact O-N 3.26Å
69A95.5Very high96Very high20 Ų2046.5 Ų46.517%0.16524%0.237CC..Hα-helixtrans-79.5-4.6-179.600000114.1I24 E65 C66 I71I24-A69 HydrophobicContact CG2-CB 3.68Å; E65-A69 VanDerWaalsContact O-CB 3.26Å; E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.39Å; C66-A69 CarbonylContact O-C 3.54Å; C66-A69 PolarHBondContact O-N 2.94Å; A69-I71 HydrophobicContact CB-CD1 3.65Å; A69-I71 HydrophobicContact CB-CG1 3.82Å; A69-I71 PolarHBondContact O-N 3.13Å
70K94Very high95.6Very high188 Ų18850.4 Ų50.482%0.81726%0.262SS*.THydrogen-bonded Turntrans5538.5-172.1-55.5-179.1-179178.90113.1C66 Q67 Q68C66-K70 WeakPolarHBondContact O-CA 3.34Å; C66-K70 PolarHBondContact O-N 2.7Å; Q67-K70 PolarHBondContact O-N 2.97Å; Q68-K70 VanDerWaalsContact C-N 3.27Å; Q68-K70 PolarHBondContact O-N 3.26Å
71I95.1Very high95.2Very high8 Ų851.2 Ų51.24%0.04127%0.273CS..  trans-87.9141.4173.5-64.2168.2000108.5I24 I27 Q28 Y37 C66 A69I24-I71 HydrophobicContact CD1-CD1 3.98Å; I24-I71 HydrophobicContact CG2-CD1 3.93Å; I27-I71 HydrophobicContact CB-CD1 3.97Å; I27-I71 HydrophobicContact CD1-CD1 4.33Å; I27-I71 HydrophobicContact CG2-CD1 3.73Å; I27-I71 HydrophobicContact CG2-CG1 4.03Å; I27-I71 HydrophobicContact CG2-CG2 3.92Å; Q28-I71 HydrophobicContact CG-CD1 4.32Å; Y37-I71 HydrophobicContact CD1-CG2 3.58Å; Y37-I71 HydrophobicContact CE1-CG2 3.62Å; Y37-I71 HydrophobicContact CG-CG2 4.18Å; C66-I71 HydrophobicContact CB-CB 4.03Å; C66-I71 HydrophobicContact CB-CG2 4.45Å; C66-I71 PolarHBondContact O-N 2.89Å; A69-I71 HydrophobicContact CB-CD1 3.65Å; A69-I71 HydrophobicContact CB-CG1 3.82Å; A69-I71 PolarHBondContact O-N 3.13Å
72G92.3Very high94.8Very high22 Ų2254.4 Ų54.423%0.22729%0.285CS..  trans-56150.5175.700000112.4Y37Y37-G72 VanDerWaalsContact CE1-O 3.23Å; Y37-G72 WeakPolarHBondContact CE1-O 3.43Å
73T93.6Very high94.4Very high75 Ų7556.3 Ų56.346%0.4630%0.299SS..  trans-11721.2-174.853.70000112.6F63 C66F63-T73 HydrophobicContact CD1-CG2 3.77Å; F63-T73 HydrophobicContact CE1-CG2 4.19Å; C66-T73 HydrophobicContact CB-CG2 4.27Å
74N96.1Very high93.8Very high7 Ų763 Ų634%0.03733%0.33CS..  trans-61.6142.9171.8-17141.6000110.4L38 G39 I40 F97 K100 G101L38-N74 WeakPolarHBondContact O-CB 3.46Å; L38-N74 PolarHBondContact O-ND2 3.38Å; G39-N74 CarbonylContact C-O 3.59Å; G39-N74 WeakPolarHBondContact CA-O 3.49Å; I40-N74 PolarHBondContact N-O 2.95Å; N74-F97 WeakPolarHBondContact ND2-CD2 3.23Å; N74-F97 WeakPolarHBondContact ND2-CE2 3.45Å; N74-F97 PolarHBondContact ND2-O 3.28Å; N74-K100 WeakPolarHBondContact OD1-CD 3.33Å; N74-K100 PolarHBondContact OD1-NZ 3.12Å; N74-G101 PolarHBondContact ND2-N 3.36Å
75Y96.3Very high93.4Very high92 Ų9270.7 Ų70.736%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-150.9157.2-176.670.6-89.4000112.9I40 I51 F63 E77 F97I40-Y75 CarbonylContact O-C 3.32Å; I40-Y75 WeakPolarHBondContact O-CA 3.5Å; I51-Y75 HydrophobicContact CB-CD2 3.82Å; I51-Y75 HydrophobicContact CB-CE2 4.08Å; I51-Y75 HydrophobicContact CB-CG 4.24Å; I51-Y75 HydrophobicContact CD1-CD2 4.04Å; I51-Y75 HydrophobicContact CD1-CG 4.08Å; I51-Y75 HydrophobicContact CG2-CD1 3.71Å; I51-Y75 HydrophobicContact CG2-CD2 3.49Å; I51-Y75 VanDerWaalsContact CG2-CD2 3.49Å; I51-Y75 HydrophobicContact CG2-CE1 3.94Å; I51-Y75 HydrophobicContact CG2-CE2 3.72Å; I51-Y75 HydrophobicContact CG2-CG 3.49Å; I51-Y75 VanDerWaalsContact CG2-CG 3.49Å; F63-Y75 HydrophobicContact CZ-CD1 4.38Å; Y75-E77 HydrophobicContact CD2-CG 4.18Å; Y75-E77 HydrophobicContact CE2-CG 4.4Å; Y75-F97 WeakPolarHBondContact O-CD2 3.49Å
76L96.5Very high92.8Very high10 Ų1074.1 Ų74.15%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-127.1151.1166.117764.4000107.8I40 I41 G42 F90 Q93 L94 F97I40-L76 PolarHBondContact O-N 3.32Å; I41-L76 CarbonylContact C-O 3.57Å; I41-L76 WeakPolarHBondContact CA-O 3.49Å; I41-L76 HydrophobicContact CG1-CB 4.38Å; G42-L76 PolarHBondContact N-O 2.97Å; L76-F90 HydrophobicContact CD1-CE2 4.22Å; L76-F90 HydrophobicContact CD2-CE2 3.75Å; L76-F90 HydrophobicContact CD2-CZ 3.69Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; L76-F90 HydrophobicContact CG-CZ 4.42Å; L76-Q93 HydrophobicContact CD1-CB 3.8Å; L76-L94 HydrophobicContact CD2-CB 4.15Å; L76-L94 HydrophobicContact CD2-CD1 3.72Å; L76-F97 HydrophobicContact CB-CB 4.09Å; L76-F97 HydrophobicContact CB-CD1 4.25Å; L76-F97 HydrophobicContact CB-CD2 3.78Å; L76-F97 HydrophobicContact CB-CE2 4.27Å; L76-F97 HydrophobicContact CB-CG 3.77Å; L76-F97 HydrophobicContact CD2-CB 4.42Å; L76-F97 HydrophobicContact CD2-CD1 4.43Å; L76-F97 HydrophobicContact CD2-CG 4.46Å
77E95.3Very high92.1Very high19 Ų1977.1 Ų77.19%0.08939%0.393CS..EExtended strand (participates in β ladder)trans-121.4129170-68.4-177.810100109.5G42 H44 S50 I51 S52 Y75 P79G42-E77 WeakPolarHBondContact O-CA 3.48Å; H44-E77 HydrophobicContact CB-CB 4.16Å; S50-E77 WeakPolarHBondContact CA-OE1 3.4Å; S50-E77 PolarHBondContact OG-OE1 3.28Å; S50-E77 VanDerWaalsContact OG-OE1 3.13Å; I51-E77 HydrophobicContact CB-CG 4.06Å; I51-E77 HydrophobicContact CD1-CG 4.35Å; I51-E77 HydrophobicContact CG1-CG 4.32Å; I51-E77 PolarHBondContact N-OE1 2.9Å; S52-E77 WeakPolarHBondContact CB-OE2 3.36Å; S52-E77 PolarHBondContact N-OE1 3.3Å; S52-E77 PolarHBondContact N-OE2 2.96Å; S52-E77 PolarHBondContact OG-OE2 3.45Å; Y75-E77 HydrophobicContact CD2-CG 4.18Å; Y75-E77 HydrophobicContact CE2-CG 4.4Å; E77-P79 WeakPolarHBondContact O-CD 3.28Å
78V94.5Very high91.6Very high35 Ų3575.8 Ų75.821%0.21239%0.387CS..EExtended strand (participates in β ladder)trans-73120.6170.8-173.90000107.6I41 G42 H44 Y82 F90I41-V78 HydrophobicContact CG2-CG2 3.6Å; G42-V78 PolarHBondContact O-N 3.39Å; H44-V78 WeakPolarHBondContact CB-O 3.4Å; H44-V78 PolarHBondContact N-O 3.29Å; V78-Y82 HydrophobicContact CG1-CD1 3.88Å; V78-Y82 HydrophobicContact CG1-CD2 4.46Å; V78-Y82 HydrophobicContact CG1-CG 3.73Å; V78-F90 HydrophobicContact CB-CE2 4.35Å; V78-F90 HydrophobicContact CG1-CE2 4.46Å; V78-F90 HydrophobicContact CG2-CE2 4.05Å; V78-F90 HydrophobicContact CG2-CZ 3.93Å
79P92.3Very high91.2Very high32 Ų3273.9 Ų73.921%0.20838%0.382CS..  trans-69154.3178.129-33.2000110.5E77 S81 Y82E77-P79 WeakPolarHBondContact O-CD 3.28Å; P79-S81 PolarHBondContact O-N 3.17Å; P79-Y82 VanDerWaalsContact O-CB 3.24Å; P79-Y82 WeakPolarHBondContact O-CB 3.46Å; P79-Y82 PolarHBondContact O-N 3.3Å; P79-Y82 VanDerWaalsContact O-N 3.08Å
80T90Very high91Very high95 Ų9573.8 Ų73.858%0.58338%0.378SS*.THydrogen-bonded Turntrans-68-18.1177.450.40000113.1H44 E45 Y82H44-T80 WeakPolarHBondContact O-CG2 3.39Å; E45-T80 HydrophobicContact CB-CG2 4.33Å; T80-Y82 VanDerWaalsContact C-N 3.35Å
81S89Confident90.8Very high65 Ų6569.2 Ų69.246%0.45536%0.362SS..THydrogen-bonded Turntrans-79.5-12.8172.454.40000113.9P79 S83P79-S81 PolarHBondContact O-N 3.17Å; S81-S83 PolarHBondContact O-N 3.26Å
82Y90.3Very high90.6Very high85 Ų8573.9 Ų73.933%0.33338%0.384SS..  trans-57.9131-175.6174.4-95.2000111.7V78 P79 T80 Q87 F90V78-Y82 HydrophobicContact CG1-CD1 3.88Å; V78-Y82 HydrophobicContact CG1-CD2 4.46Å; V78-Y82 HydrophobicContact CG1-CG 3.73Å; P79-Y82 VanDerWaalsContact O-CB 3.24Å; P79-Y82 WeakPolarHBondContact O-CB 3.46Å; P79-Y82 PolarHBondContact O-N 3.3Å; P79-Y82 VanDerWaalsContact O-N 3.08Å; T80-Y82 VanDerWaalsContact C-N 3.35Å; Y82-Q87 HydrophobicContact CE2-CB 4.42Å; Y82-Q87 HydrophobicContact CE2-CG 4.02Å; Y82-F90 HydrophobicContact CD2-CB 4.15Å; Y82-F90 AromaticContact CD2-CD1 3.82Å; Y82-F90 HydrophobicContact CD2-CD1 3.82Å; Y82-F90 HydrophobicContact CD2-CD2 4.46Å; Y82-F90 HydrophobicContact CD2-CE1 4.34Å; Y82-F90 AromaticContact CD2-CG 3.88Å; Y82-F90 HydrophobicContact CD2-CG 3.88Å; Y82-F90 HydrophobicContact CE2-CB 4.47Å; Y82-F90 AromaticContact CE2-CD1 3.54Å; Y82-F90 HydrophobicContact CE2-CD1 3.54Å; Y82-F90 AromaticContact CE2-CE1 3.97Å; Y82-F90 HydrophobicContact CE2-CE1 3.97Å; Y82-F90 HydrophobicContact CE2-CG 4.08Å
83S89.3Confident90.7Very high46 Ų4676.9 Ų76.932%0.32239%0.392SS..  trans-138.9154.1168.873.80000110.2S81 E85 D86 Q87S81-S83 PolarHBondContact O-N 3.26Å; S83-E85 PolarHBondContact O-N 2.74Å; S83-D86 PolarHBondContact N-O 2.88Å; S83-D86 CarbonylContact O-C 3.53Å; S83-D86 PolarHBondContact O-N 2.78Å; S83-D86 WeakPolarHBondContact OG-CA 3.32Å; S83-D86 WeakPolarHBondContact OG-CB 3.17Å; S83-D86 PolarHBondContact OG-N 3.21Å; S83-D86 PolarHBondContact OG-O 3.49Å; S83-D86 VanDerWaalsContact OG-O 3.08Å; S83-Q87 WeakPolarHBondContact O-CG 3.46Å
84E86.2Confident90.8Very high165 Ų16575.8 Ų75.877%0.77138%0.383SS*.SBendtrans-66-23.8176.7-64.6-175.6166.100112.4Q87E84-Q87 PolarHBondContact O-NE2 3.01Å; E84-Q87 VanDerWaalsContact O-NE2 3.15Å
85E88.8Confident90.7Very high199 Ų19981 Ų8193%0.9341%0.407SS*.SBendtrans-83.3-29.6178.7-61.9-177.4-179.200112.9S83S83-E85 PolarHBondContact O-N 2.74Å
86D85.3Confident90.6Very high94 Ų9484.2 Ų84.250%0.50342%0.418SS..  trans-138.8102.1178.9-170.20.8000109.6S83 E88S83-D86 PolarHBondContact N-O 2.88Å; S83-D86 CarbonylContact O-C 3.53Å; S83-D86 PolarHBondContact O-N 2.78Å; S83-D86 WeakPolarHBondContact OG-CA 3.32Å; S83-D86 WeakPolarHBondContact OG-CB 3.17Å; S83-D86 PolarHBondContact OG-N 3.21Å; S83-D86 PolarHBondContact OG-O 3.49Å; S83-D86 VanDerWaalsContact OG-O 3.08Å; D86-E88 PolarHBondContact OD1-N 3.22Å
87Q82Confident90.6Very high64 Ų6484.5 Ų84.530%0.29942%0.419SS..  trans-96.6-2.2-175-60.417624.300111.5Y82 S83 E84 D89 F90 D91Y82-Q87 HydrophobicContact CE2-CB 4.42Å; Y82-Q87 HydrophobicContact CE2-CG 4.02Å; S83-Q87 WeakPolarHBondContact O-CG 3.46Å; E84-Q87 PolarHBondContact O-NE2 3.01Å; E84-Q87 VanDerWaalsContact O-NE2 3.15Å; Q87-D89 PolarHBondContact O-N 2.86Å; Q87-F90 WeakPolarHBondContact O-CA 3.33Å; Q87-F90 WeakPolarHBondContact O-CB 3.06Å; Q87-F90 PolarHBondContact O-N 3.21Å; Q87-D91 PolarHBondContact OE1-OD1 3.29Å; Q87-D91 PolarHBondContact OE1-OD2 2.86Å
88E84.3Confident90.6Very high127 Ų12787.1 Ų87.159%0.59343%0.433SS*.THydrogen-bonded Turntrans40.5-125.7-175-61.6-178.7-178.800111.7D86 F90D86-E88 PolarHBondContact OD1-N 3.22Å; E88-F90 VanDerWaalsContact C-N 3.35Å
89D88.1Confident90.6Very high104 Ų10490.2 Ų90.256%0.55645%0.445SS*.THydrogen-bonded Turntrans-92.611.7177.4-61.3-26.9000112.7Q87 D91 E92 Q93Q87-D89 PolarHBondContact O-N 2.86Å; D89-D91 VanDerWaalsContact C-N 3.31Å; D89-D91 PolarHBondContact O-N 3.34Å; D89-E92 PolarHBondContact O-N 3.44Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 3.44Å; D89-Q93 VanDerWaalsContact O-N 3.11Å
90F90.9Very high90.5Very high18 Ų1894.4 Ų94.48%0.07946%0.461CS..Hα-helixtrans-63-37.1-175.5-176.3-103.5000112.1L76 V78 Y82 Q87 E88 E92 Q93 L94L76-F90 HydrophobicContact CD1-CE2 4.22Å; L76-F90 HydrophobicContact CD2-CE2 3.75Å; L76-F90 HydrophobicContact CD2-CZ 3.69Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; L76-F90 HydrophobicContact CG-CZ 4.42Å; V78-F90 HydrophobicContact CB-CE2 4.35Å; V78-F90 HydrophobicContact CG1-CE2 4.46Å; V78-F90 HydrophobicContact CG2-CE2 4.05Å; V78-F90 HydrophobicContact CG2-CZ 3.93Å; Y82-F90 HydrophobicContact CD2-CB 4.15Å; Y82-F90 AromaticContact CD2-CD1 3.82Å; Y82-F90 HydrophobicContact CD2-CD1 3.82Å; Y82-F90 HydrophobicContact CD2-CD2 4.46Å; Y82-F90 HydrophobicContact CD2-CE1 4.34Å; Y82-F90 AromaticContact CD2-CG 3.88Å; Y82-F90 HydrophobicContact CD2-CG 3.88Å; Y82-F90 HydrophobicContact CE2-CB 4.47Å; Y82-F90 AromaticContact CE2-CD1 3.54Å; Y82-F90 HydrophobicContact CE2-CD1 3.54Å; Y82-F90 AromaticContact CE2-CE1 3.97Å; Y82-F90 HydrophobicContact CE2-CE1 3.97Å; Y82-F90 HydrophobicContact CE2-CG 4.08Å; Q87-F90 WeakPolarHBondContact O-CA 3.33Å; Q87-F90 WeakPolarHBondContact O-CB 3.06Å; Q87-F90 PolarHBondContact O-N 3.21Å; E88-F90 VanDerWaalsContact C-N 3.35Å; F90-E92 VanDerWaalsContact C-N 3.35Å; F90-E92 PolarHBondContact O-N 2.94Å; F90-Q93 CarbonylContact O-C 3.58Å; F90-Q93 WeakPolarHBondContact O-CB 3.4Å; F90-Q93 PolarHBondContact O-N 3.4Å; F90-Q93 VanDerWaalsContact O-N 3.15Å; F90-L94 WeakPolarHBondContact O-CB 3.18Å; F90-L94 PolarHBondContact O-N 3.36Å
91D89.8Confident90.5Very high92 Ų9290 Ų9049%0.49243%0.433SS..Hα-helixtrans-60.4-43176.4-84-14.5000112.2Q87 D89 Q93 L94 Q95Q87-D91 PolarHBondContact OE1-OD1 3.29Å; Q87-D91 PolarHBondContact OE1-OD2 2.86Å; D89-D91 VanDerWaalsContact C-N 3.31Å; D89-D91 PolarHBondContact O-N 3.34Å; D91-Q93 VanDerWaalsContact C-N 3.32Å; D91-Q93 PolarHBondContact O-N 3.37Å; D91-L94 PolarHBondContact O-N 3.05Å; D91-Q95 WeakPolarHBondContact O-CB 3.46Å; D91-Q95 PolarHBondContact O-N 3.14Å
92E92.4Very high90.3Very high106 Ų10691.1 Ų91.150%0.49543%0.434SS..Hα-helixtrans-65-38.9175.7-65.5-165.1178.300111.4D89 F90 Q95 R96D89-E92 PolarHBondContact O-N 3.44Å; F90-E92 VanDerWaalsContact C-N 3.35Å; F90-E92 PolarHBondContact O-N 2.94Å; E92-Q95 PolarHBondContact O-N 3.2Å; E92-R96 WeakPolarHBondContact O-CB 3.49Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.44Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 IonicContact OE2-NH2 3.48Å; E92-R96 PolarHBondContact OE2-NH2 3.45Å
93Q94.1Very high89.7Confident84 Ų8493.2 Ų93.239%0.39345%0.451SS..Hα-helixtrans-66.3-41.2176.6-67.3175.654.400111.6L76 D89 F90 D91 R96 F97L76-Q93 HydrophobicContact CD1-CB 3.8Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 3.44Å; D89-Q93 VanDerWaalsContact O-N 3.11Å; F90-Q93 CarbonylContact O-C 3.58Å; F90-Q93 WeakPolarHBondContact O-CB 3.4Å; F90-Q93 PolarHBondContact O-N 3.4Å; F90-Q93 VanDerWaalsContact O-N 3.15Å; D91-Q93 VanDerWaalsContact C-N 3.32Å; D91-Q93 PolarHBondContact O-N 3.37Å; Q93-R96 PolarHBondContact O-N 2.66Å; Q93-F97 VanDerWaalsContact O-CB 3.32Å; Q93-F97 WeakPolarHBondContact O-CB 3.36Å; Q93-F97 PolarHBondContact O-N 3.44Å
94L94.7Very high88.5Confident52 Ų5293.8 Ų93.827%0.27245%0.451SS..Hα-helixtrans-63.5-45.4175.7178.760.8000110.9L76 F90 D91 R96 F97 L98L76-L94 HydrophobicContact CD2-CB 4.15Å; L76-L94 HydrophobicContact CD2-CD1 3.72Å; F90-L94 WeakPolarHBondContact O-CB 3.18Å; F90-L94 PolarHBondContact O-N 3.36Å; D91-L94 PolarHBondContact O-N 3.05Å; L94-R96 PolarHBondContact O-N 2.73Å; L94-F97 HydrophobicContact CD1-CD1 4.2Å; L94-F97 WeakPolarHBondContact O-CB 3.3Å; L94-F97 PolarHBondContact O-N 3.26Å; L94-L98 HydrophobicContact CD1-CD1 4.42Å; L94-L98 HydrophobicContact CD1-CG 4.33Å; L94-L98 HydrophobicContact CG-CD1 4.3Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.18Å; L94-L98 PolarHBondContact O-N 2.82Å
95Q94.5Very high86.7Confident116 Ų11697.6 Ų97.654%0.54247%0.468SS..Hα-helixtrans-60.1-47.9176.8-175.4177.2-15.800111.3D91 E92 F97 L98 E99D91-Q95 WeakPolarHBondContact O-CB 3.46Å; D91-Q95 PolarHBondContact O-N 3.14Å; E92-Q95 PolarHBondContact O-N 3.2Å; Q95-F97 VanDerWaalsContact C-N 3.29Å; Q95-F97 PolarHBondContact O-N 3.08Å; Q95-L98 PolarHBondContact O-N 2.68Å; Q95-E99 HydrophobicContact CG-CG 4.49Å; Q95-E99 WeakPolarHBondContact CG-OE1 2.9Å; Q95-E99 PolarHBondContact NE2-OE1 3.11Å; Q95-E99 WeakPolarHBondContact O-CG 2.99Å; Q95-E99 PolarHBondContact O-N 3.26Å
96R94.8Very high86.6Confident160 Ų16092.6 Ų92.660%0.60445%0.445SS*.Hα-helixtrans-61-38.4176.4-72.3175.3-172.1171.512.9112.4E92 Q93 L94 K100E92-R96 WeakPolarHBondContact O-CB 3.49Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.44Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 IonicContact OE2-NH2 3.48Å; E92-R96 PolarHBondContact OE2-NH2 3.45Å; Q93-R96 PolarHBondContact O-N 2.66Å; L94-R96 PolarHBondContact O-N 2.73Å; R96-K100 VanDerWaalsContact O-CB 3.26Å; R96-K100 WeakPolarHBondContact O-CB 3.34Å; R96-K100 PolarHBondContact O-N 2.62Å
97F95.8Very high86.7Confident16 Ų1692.5 Ų92.57%0.0744%0.442CS..Hα-helixtrans-62-45.1175.8164.8-101.5000111.6I41 N74 Y75 L76 Q93 L94 Q95 G101I41-F97 HydrophobicContact CG1-CE1 4.3Å; I41-F97 HydrophobicContact CG1-CZ 4.42Å; N74-F97 WeakPolarHBondContact ND2-CD2 3.23Å; N74-F97 WeakPolarHBondContact ND2-CE2 3.45Å; N74-F97 PolarHBondContact ND2-O 3.28Å; Y75-F97 WeakPolarHBondContact O-CD2 3.49Å; L76-F97 HydrophobicContact CB-CB 4.09Å; L76-F97 HydrophobicContact CB-CD1 4.25Å; L76-F97 HydrophobicContact CB-CD2 3.78Å; L76-F97 HydrophobicContact CB-CE2 4.27Å; L76-F97 HydrophobicContact CB-CG 3.77Å; L76-F97 HydrophobicContact CD2-CB 4.42Å; L76-F97 HydrophobicContact CD2-CD1 4.43Å; L76-F97 HydrophobicContact CD2-CG 4.46Å; Q93-F97 VanDerWaalsContact O-CB 3.32Å; Q93-F97 WeakPolarHBondContact O-CB 3.36Å; Q93-F97 PolarHBondContact O-N 3.44Å; L94-F97 HydrophobicContact CD1-CD1 4.2Å; L94-F97 WeakPolarHBondContact O-CB 3.3Å; L94-F97 PolarHBondContact O-N 3.26Å; Q95-F97 VanDerWaalsContact C-N 3.29Å; Q95-F97 PolarHBondContact O-N 3.08Å; F97-G101 PolarHBondContact O-N 3.24Å
98L95.7Very high86.9Confident74 Ų7494.1 Ų94.139%0.38745%0.45SS..Hα-helixtrans-66.2-45.6178.4-67173.5000111.8L38 L94 Q95 G101 L102L38-L98 HydrophobicContact CD1-CD2 3.8Å; L94-L98 HydrophobicContact CD1-CD1 4.42Å; L94-L98 HydrophobicContact CD1-CG 4.33Å; L94-L98 HydrophobicContact CG-CD1 4.3Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.18Å; L94-L98 PolarHBondContact O-N 2.82Å; Q95-L98 PolarHBondContact O-N 2.68Å; L98-G101 PolarHBondContact O-N 2.73Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.46Å
99E94Very high87.1Confident100 Ų10092.1 Ų92.147%0.46744%0.442SS..Hα-helixtrans-59.6-51177.6-73.1172.7-175.600111.2Q95 G101 L102Q95-E99 HydrophobicContact CG-CG 4.49Å; Q95-E99 WeakPolarHBondContact CG-OE1 2.9Å; Q95-E99 PolarHBondContact NE2-OE1 3.11Å; Q95-E99 WeakPolarHBondContact O-CG 2.99Å; Q95-E99 PolarHBondContact O-N 3.26Å; E99-G101 PolarHBondContact O-N 3.34Å; E99-L102 WeakPolarHBondContact O-CB 3.45Å; E99-L102 PolarHBondContact O-N 3.23Å; E99-L102 VanDerWaalsContact O-N 3.17Å
100K91.4Very high87Confident121 Ų12191.4 Ų91.453%0.52644%0.435SS..Hα-helixtrans-62.8-32176.8-177178.6170.3-160.80112.8N74 R96 L102 D103N74-K100 WeakPolarHBondContact OD1-CD 3.33Å; N74-K100 PolarHBondContact OD1-NZ 3.12Å; R96-K100 VanDerWaalsContact O-CB 3.26Å; R96-K100 WeakPolarHBondContact O-CB 3.34Å; R96-K100 PolarHBondContact O-N 2.62Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.21Å; K100-D103 PolarHBondContact O-N 3.44Å
101G89.5Confident86.8Confident1 Ų196.3 Ų96.31%0.0146%0.458CS..Hα-helixtrans-67.4-27.7178.600000113.4L38 N74 F97 L98 E99 D103 N104L38-G101 VanDerWaalsContact O-CA 3.25Å; L38-G101 WeakPolarHBondContact O-CA 3.25Å; N74-G101 PolarHBondContact ND2-N 3.36Å; F97-G101 PolarHBondContact O-N 3.24Å; L98-G101 PolarHBondContact O-N 2.73Å; E99-G101 PolarHBondContact O-N 3.34Å; G101-D103 VanDerWaalsContact C-N 3.29Å; G101-N104 WeakPolarHBondContact O-CB 3.34Å; G101-N104 PolarHBondContact O-ND2 2.83Å
102L84.2Confident86.5Confident90 Ų9096.6 Ų96.647%0.47146%0.456SS..Hα-helixtrans-72.8-26.4174.1-67.3167.1000111.9L38 L98 E99 K100 N104L38-L102 HydrophobicContact CD2-CD2 3.86Å; L38-L102 HydrophobicContact CD2-CG 4.2Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.46Å; E99-L102 WeakPolarHBondContact O-CB 3.45Å; E99-L102 PolarHBondContact O-N 3.23Å; E99-L102 VanDerWaalsContact O-N 3.17Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.21Å; L102-N104 VanDerWaalsContact C-N 3.3Å; L102-N104 PolarHBondContact O-N 2.83Å
103D78.2Confident86.1Confident128 Ų12895.8 Ų95.868%0.68445%0.453SS*.THydrogen-bonded Turntrans-85.98.6177.3-62.7-30.1000113.5K100 G101 E105K100-D103 PolarHBondContact O-N 3.44Å; G101-D103 VanDerWaalsContact C-N 3.29Å; D103-E105 PolarHBondContact O-N 2.86Å
104N63.6Low85.4Confident59 Ų5996.8 Ų96.832%0.31646%0.458SS..  trans-67.317-179.2-82-25.9000114.7Y37 L38 G101 L102Y37-N104 PolarHBondContact O-ND2 3.31Å; Y37-N104 VanDerWaalsContact O-ND2 3.11Å; L38-N104 PolarHBondContact O-ND2 3.24Å; L38-N104 VanDerWaalsContact O-ND2 3.09Å; G101-N104 WeakPolarHBondContact O-CB 3.34Å; G101-N104 PolarHBondContact O-ND2 2.83Å; L102-N104 VanDerWaalsContact C-N 3.3Å; L102-N104 PolarHBondContact O-N 2.83Å
105E48.7Very low84.6Confident245 Ų245100.9 Ų100.9100%1.14548%0.475SS*.  trans-65.90178.3-70.2-166.6112.400114D103D103-E105 PolarHBondContact O-N 2.86Å

Retrieved 105 of 105 residues in 23.4 ms (Link to these results)

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