A0A087XAW7_POEFO Loading...

Molybdenum cofactor sulfurase

Sulfurates the molybdenum cofactor. Sulfation of molybdenum is essential for xanthine dehydrogenase (XDH) and aldehyde oxidase (ADO) enzymes in which molybdenum cofactor is liganded by 1 oxygen and 1 sulfur atom in active form.

AlphaFold DB , UniProt , Accession A0A087XAW7, Species POEFO (Poecilia formosa, Amazon molly), Gene MOCOS, Length 837 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
1M58.9Low84.7Confident113 Ų11361.2 Ų61.256%0.55731%0.307SS*.  0130.10-129177.7-75.500107.1D5 L6 Q489M1-D5 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.27Å; M1-L6 HydrophobicContact CG-CD2 4.39Å; M1-L6 HydrophobicContact SD-CD2 3.53Å; M1-L6 VanDerWaalsContact SD-CD2 3.53Å; M1-L6 HydrophobicContact SD-CG 4.23Å; M1-Q489 PolarHBondContact O-NE2 3.23Å; M1-Q489 VanDerWaalsContact O-NE2 3.16Å
2D80.7Confident85.2Confident81 Ų8156.1 Ų56.143%0.43328%0.281SS..  trans-70.9151.3175.9-17310.3000109.8H4 D5 L6D2-H4 PolarHBondContact O-N 3.21Å; D2-H4 IonicContact OD2-CD2 2.84Å; D2-D5 PolarHBondContact N-OD2 2.92Å; D2-D5 PolarHBondContact O-N 2.72Å; D2-L6 PolarHBondContact O-N 3.13Å
3F85.8Confident85.5Confident4 Ų460.1 Ų60.12%0.01830%0.298CS..Hα-helixtrans-59.1-33.5175.9177.1-101.5000111.8L6 C7 L354 L473 A477 V485 V487F3-L6 PolarHBondContact O-N 3.29Å; F3-C7 VanDerWaalsContact CZ-SG 3.54Å; F3-C7 PolarHBondContact O-N 3.4Å; F3-C7 VanDerWaalsContact O-N 3.13Å; F3-C7 PolarHBondContact O-SG 2.78Å; F3-C7 VanDerWaalsContact O-SG 3.4Å; F3-L354 HydrophobicContact CD2-CD1 3.38Å; F3-L354 HydrophobicContact CE2-CD1 3.45Å; F3-L354 VanDerWaalsContact CE2-CD1 3.45Å; F3-L354 HydrophobicContact CE2-CD2 4.19Å; F3-L354 HydrophobicContact CE2-CG 4.38Å; F3-L354 HydrophobicContact CG-CD1 4.01Å; F3-L354 HydrophobicContact CZ-CD1 4.14Å; F3-L354 HydrophobicContact CZ-CD2 4.34Å; F3-L473 HydrophobicContact CZ-CB 4.15Å; F3-A477 HydrophobicContact CD1-CB 4Å; F3-A477 HydrophobicContact CE1-CB 3.31Å; F3-A477 HydrophobicContact CZ-CB 3.79Å; F3-V485 HydrophobicContact CB-CG1 3.82Å; F3-V485 HydrophobicContact CD1-CG1 4.11Å; F3-V485 HydrophobicContact CG-CG1 3.89Å; F3-V487 HydrophobicContact CB-CG2 3.91Å; F3-V487 HydrophobicContact CD2-CG2 4.11Å
4H84.5Confident85.4Confident117 Ų11764.3 Ų64.354%0.54232%0.317SS..Hα-helixtrans-62.4-42.5175.6-77.8-71.6000112.5D2 L6 C7D2-H4 PolarHBondContact O-N 3.21Å; D2-H4 IonicContact OD2-CD2 2.84Å; H4-L6 VanDerWaalsContact C-N 3.33Å; H4-L6 PolarHBondContact O-N 3.14Å; H4-C7 PolarHBondContact O-N 3.27Å
5D85.6Confident84.9Confident89 Ų8961.5 Ų61.548%0.47631%0.306SS..Hα-helixtrans-64.7-40.3176.7-58.4-31.7000111.2M1 D2 C7 S8 S11M1-D5 HydrophobicContact CG-CB 4.29Å; D2-D5 PolarHBondContact N-OD2 2.92Å; D2-D5 PolarHBondContact O-N 2.72Å; D5-C7 PolarHBondContact O-N 2.88Å; D5-S8 VanDerWaalsContact O-CB 3.23Å; D5-S8 WeakPolarHBondContact O-CB 3.38Å; D5-S8 PolarHBondContact O-N 2.86Å; D5-S8 VanDerWaalsContact O-N 3.13Å; D5-S8 PolarHBondContact O-OG 3.24Å; D5-S11 PolarHBondContact O-OG 3.38Å; D5-S11 VanDerWaalsContact O-OG 3.12Å
6L87.8Confident84.7Confident3 Ų358.3 Ų58.32%0.01629%0.291CS..Hα-helixtrans-65.4-26178.9-70.7171.4000112.9M1 D2 F3 H4 S8 S11 Y346 L350 V487 L492M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.27Å; M1-L6 HydrophobicContact CG-CD2 4.39Å; M1-L6 HydrophobicContact SD-CD2 3.53Å; M1-L6 VanDerWaalsContact SD-CD2 3.53Å; M1-L6 HydrophobicContact SD-CG 4.23Å; D2-L6 PolarHBondContact O-N 3.13Å; F3-L6 PolarHBondContact O-N 3.29Å; H4-L6 VanDerWaalsContact C-N 3.33Å; H4-L6 PolarHBondContact O-N 3.14Å; L6-S8 PolarHBondContact O-N 3.15Å; L6-S11 WeakPolarHBondContact O-CB 3.42Å; L6-Y346 PolarHBondContact O-OH 3.5Å; L6-L350 HydrophobicContact CB-CD1 4.41Å; L6-L350 HydrophobicContact CB-CD2 3.91Å; L6-L350 HydrophobicContact CD1-CD2 4.17Å; L6-L350 HydrophobicContact CG-CD2 4.43Å; L6-V487 HydrophobicContact CD1-CG1 4.02Å; L6-V487 HydrophobicContact CD1-CG2 4.14Å; L6-L492 HydrophobicContact CD1-CD2 3.67Å; L6-L492 HydrophobicContact CD2-CD2 3.89Å; L6-L492 HydrophobicContact CG-CD2 4.47Å
7C89.4Confident84.1Confident1 Ų164.2 Ų64.21%0.00732%0.324CS..THydrogen-bonded Turntrans-8217.6174.5-71.50000113.6F3 H4 D5 Y346 F466 Q470F3-C7 VanDerWaalsContact CZ-SG 3.54Å; F3-C7 PolarHBondContact O-N 3.4Å; F3-C7 VanDerWaalsContact O-N 3.13Å; F3-C7 PolarHBondContact O-SG 2.78Å; F3-C7 VanDerWaalsContact O-SG 3.4Å; H4-C7 PolarHBondContact O-N 3.27Å; D5-C7 PolarHBondContact O-N 2.88Å; C7-Y346 WeakPolarHBondContact CA-OH 3.42Å; C7-F466 WeakPolarHBondContact O-CZ 3.07Å; C7-Q470 HydrophobicContact CB-CG 4.28Å; C7-Q470 PolarHBondContact O-NE2 3.41Å
8S91.6Very high84.1Confident37 Ų3765.9 Ų65.926%0.25933%0.331SS..SBendtrans-88.6154.1174.463.10000112.4D5 L6 E10 S11 F12 F466D5-S8 VanDerWaalsContact O-CB 3.23Å; D5-S8 WeakPolarHBondContact O-CB 3.38Å; D5-S8 PolarHBondContact O-N 2.86Å; D5-S8 VanDerWaalsContact O-N 3.13Å; D5-S8 PolarHBondContact O-OG 3.24Å; L6-S8 PolarHBondContact O-N 3.15Å; S8-E10 PolarHBondContact O-N 2.83Å; S8-S11 PolarHBondContact O-N 3.42Å; S8-S11 WeakPolarHBondContact OG-CB 3.35Å; S8-S11 PolarHBondContact OG-N 3.03Å; S8-S11 PolarHBondContact OG-OG 2.84Å; S8-S11 VanDerWaalsContact OG-OG 3.09Å; S8-F12 PolarHBondContact O-N 3.22Å; S8-F12 VanDerWaalsContact O-N 3.12Å; S8-F466 WeakPolarHBondContact O-CZ 3.3Å
9F90.7Very high84.4Confident78 Ų7865.6 Ų65.634%0.34233%0.325SS..Hα-helixtrans-63.1-34.4175.5-174.6-113.4000111.8F12 Q13 Y19 F466F9-F12 AromaticContact CD2-CD1 3.91Å; F9-F12 HydrophobicContact CD2-CD1 3.91Å; F9-F12 AromaticContact CE2-CD1 3.75Å; F9-F12 HydrophobicContact CE2-CD1 3.75Å; F9-F12 HydrophobicContact CE2-CE1 4.09Å; F9-F12 WeakPolarHBondContact O-CB 3.38Å; F9-F12 PolarHBondContact O-N 2.89Å; F9-F12 VanDerWaalsContact O-N 3.14Å; F9-Q13 HydrophobicContact CD1-CG 4.1Å; F9-Q13 HydrophobicContact CE1-CG 3.75Å; F9-Q13 HydrophobicContact CE2-CG 4.39Å; F9-Q13 HydrophobicContact CZ-CG 3.91Å; F9-Q13 WeakPolarHBondContact O-CG 3.44Å; F9-Q13 PolarHBondContact O-N 2.7Å; F9-Y19 AromaticContact CE2-CD1 3.73Å; F9-Y19 HydrophobicContact CE2-CD1 3.73Å; F9-Y19 AromaticContact CE2-CE1 3.56Å; F9-Y19 HydrophobicContact CE2-CE1 3.56Å; F9-Y19 AromaticContact CZ-CD1 3.79Å; F9-Y19 HydrophobicContact CZ-CD1 3.79Å; F9-Y19 AromaticContact CZ-CE1 3.86Å; F9-Y19 HydrophobicContact CZ-CE1 3.86Å; F9-F466 HydrophobicContact CB-CD1 4.11Å; F9-F466 HydrophobicContact CB-CE1 3.84Å; F9-F466 HydrophobicContact CB-CZ 4.28Å; F9-F466 HydrophobicContact CD2-CB 3.96Å; F9-F466 AromaticContact CD2-CD1 3.62Å; F9-F466 HydrophobicContact CD2-CD1 3.62Å; F9-F466 HydrophobicContact CD2-CD2 4.25Å; F9-F466 HydrophobicContact CD2-CE1 4.18Å; F9-F466 AromaticContact CD2-CG 3.65Å; F9-F466 HydrophobicContact CD2-CG 3.65Å; F9-F466 HydrophobicContact CE2-CB 4.14Å; F9-F466 HydrophobicContact CE2-CG 4.31Å; F9-F466 HydrophobicContact CG-CD1 4.33Å
10E89.4Confident84.7Confident139 Ų13963 Ų6365%0.6532%0.316SS*.Hα-helixtrans-62.4-43.6176.4-166.6175.2-170.100111.7S8 F12 Q13 Q14S8-E10 PolarHBondContact O-N 2.83Å; E10-F12 VanDerWaalsContact C-N 3.29Å; E10-F12 PolarHBondContact O-N 3.1Å; E10-Q13 PolarHBondContact O-N 3.14Å; E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 2.87Å
11S87.7Confident84.9Confident11 Ų1162 Ų628%0.07731%0.309CS..Hα-helixtrans-64.2-34173.2-70.90000112.8D5 L6 S8D5-S11 PolarHBondContact O-OG 3.38Å; D5-S11 VanDerWaalsContact O-OG 3.12Å; L6-S11 WeakPolarHBondContact O-CB 3.42Å; S8-S11 PolarHBondContact O-N 3.42Å; S8-S11 WeakPolarHBondContact OG-CB 3.35Å; S8-S11 PolarHBondContact OG-N 3.03Å; S8-S11 PolarHBondContact OG-OG 2.84Å; S8-S11 VanDerWaalsContact OG-OG 3.09Å
12F90.9Very high85.8Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-66.2-45.6174.1167.9-98.8000112S8 F9 E10 Q14 C15 C16 Y19 L343 Y346 F466S8-F12 PolarHBondContact O-N 3.22Å; S8-F12 VanDerWaalsContact O-N 3.12Å; F9-F12 AromaticContact CD2-CD1 3.91Å; F9-F12 HydrophobicContact CD2-CD1 3.91Å; F9-F12 AromaticContact CE2-CD1 3.75Å; F9-F12 HydrophobicContact CE2-CD1 3.75Å; F9-F12 HydrophobicContact CE2-CE1 4.09Å; F9-F12 WeakPolarHBondContact O-CB 3.38Å; F9-F12 PolarHBondContact O-N 2.89Å; F9-F12 VanDerWaalsContact O-N 3.14Å; E10-F12 VanDerWaalsContact C-N 3.29Å; E10-F12 PolarHBondContact O-N 3.1Å; F12-Q14 PolarHBondContact O-N 3.36Å; F12-C15 CarbonylContact O-C 3.58Å; F12-C15 PolarHBondContact O-N 3.28Å; F12-C16 HydrophobicContact CD1-CB 4.47Å; F12-C16 HydrophobicContact CD2-CB 4.25Å; F12-C16 HydrophobicContact CE1-CB 4Å; F12-C16 HydrophobicContact CE2-CB 3.76Å; F12-C16 HydrophobicContact CZ-CB 3.62Å; F12-C16 VanDerWaalsContact CZ-SG 3.5Å; F12-C16 WeakPolarHBondContact O-CB 3.45Å; F12-C16 PolarHBondContact O-N 3.23Å; F12-Y19 HydrophobicContact CE1-CD1 4.11Å; F12-Y19 AromaticContact CE1-CD2 3.58Å; F12-Y19 HydrophobicContact CE1-CD2 3.58Å; F12-Y19 HydrophobicContact CE1-CE2 4.22Å; F12-Y19 AromaticContact CE1-CG 3.53Å; F12-Y19 HydrophobicContact CE1-CG 3.53Å; F12-Y19 AromaticContact CZ-CD2 3.62Å; F12-Y19 HydrophobicContact CZ-CD2 3.62Å; F12-Y19 HydrophobicContact CZ-CE2 4.29Å; F12-Y19 AromaticContact CZ-CG 4Å; F12-Y19 HydrophobicContact CZ-CG 4Å; F12-L343 HydrophobicContact CE2-CD2 3.93Å; F12-L343 HydrophobicContact CZ-CD2 3.85Å; F12-Y346 HydrophobicContact CB-CD2 4.13Å; F12-Y346 HydrophobicContact CB-CE2 3.85Å; F12-Y346 AromaticContact CD2-CD1 3.77Å; F12-Y346 HydrophobicContact CD2-CD1 3.77Å; F12-Y346 AromaticContact CD2-CD2 3.78Å; F12-Y346 HydrophobicContact CD2-CD2 3.78Å; F12-Y346 HydrophobicContact CD2-CE1 4.25Å; F12-Y346 HydrophobicContact CD2-CE2 4.27Å; F12-Y346 AromaticContact CD2-CG 3.49Å; F12-Y346 HydrophobicContact CD2-CG 3.49Å; F12-Y346 VanDerWaalsContact CD2-CG 3.49Å; F12-Y346 HydrophobicContact CE2-CD1 4.45Å; F12-Y346 HydrophobicContact CE2-CG 4.18Å; F12-Y346 HydrophobicContact CG-CD2 4.45Å; F12-F466 HydrophobicContact CB-CD2 3.55Å; F12-F466 HydrophobicContact CB-CE2 3.48Å; F12-F466 VanDerWaalsContact CB-CE2 3.48Å; F12-F466 HydrophobicContact CB-CZ 4.44Å; F12-F466 HydrophobicContact CD1-CB 4.41Å; F12-F466 AromaticContact CD1-CD2 3.93Å; F12-F466 HydrophobicContact CD1-CD2 3.93Å; F12-F466 HydrophobicContact CD1-CG 4.37Å; F12-F466 AromaticContact CD2-CD2 3.82Å; F12-F466 HydrophobicContact CD2-CD2 3.82Å; F12-F466 HydrophobicContact CD2-CE2 4.4Å; F12-F466 HydrophobicContact CE1-CB 4.47Å; F12-F466 AromaticContact CG-CD2 3.48Å; F12-F466 HydrophobicContact CG-CD2 3.48Å; F12-F466 VanDerWaalsContact CG-CD2 3.48Å; F12-F466 AromaticContact CG-CE2 3.97Å; F12-F466 HydrophobicContact CG-CE2 3.97Å; F12-F466 HydrophobicContact CG-CG 4.35Å
13Q88.2Confident85.3Confident108 Ų10859.7 Ų59.751%0.50533%0.333SS..Hα-helixtrans-61.7-31.2178.5-72.4-177.1-59.400112.9F9 E10 C15F9-Q13 HydrophobicContact CD1-CG 4.1Å; F9-Q13 HydrophobicContact CE1-CG 3.75Å; F9-Q13 HydrophobicContact CE2-CG 4.39Å; F9-Q13 HydrophobicContact CZ-CG 3.91Å; F9-Q13 WeakPolarHBondContact O-CG 3.44Å; F9-Q13 PolarHBondContact O-N 2.7Å; E10-Q13 PolarHBondContact O-N 3.14Å; Q13-C15 PolarHBondContact O-N 3.38Å
14Q83.9Confident85Confident119 Ų11963.8 Ų63.856%0.55636%0.356SS*.THydrogen-bonded Turntrans-66.3-16.3173.8-69.4172.79.300113.9E10 F12E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 2.87Å; F12-Q14 PolarHBondContact O-N 3.36Å
15C78.9Confident85.2Confident22 Ų2258.8 Ų58.815%0.14933%0.332CS..THydrogen-bonded Turntrans-118.2-6-176.3-640000113.1F12 Q13 M349F12-C15 CarbonylContact O-C 3.58Å; F12-C15 PolarHBondContact O-N 3.28Å; Q13-C15 PolarHBondContact O-N 3.38Å; C15-M349 HydrophobicContact CB-CE 4.15Å; C15-M349 VanDerWaalsContact SG-CE 3.53Å
16C81.9Confident85.2Confident11 Ų1161.4 Ų61.47%0.07434%0.336CS..  trans-135.2100.3-175.4-176.80000109.4F12 Q18F12-C16 HydrophobicContact CD1-CB 4.47Å; F12-C16 HydrophobicContact CD2-CB 4.25Å; F12-C16 HydrophobicContact CE1-CB 4Å; F12-C16 HydrophobicContact CE2-CB 3.76Å; F12-C16 HydrophobicContact CZ-CB 3.62Å; F12-C16 VanDerWaalsContact CZ-SG 3.5Å; F12-C16 WeakPolarHBondContact O-CB 3.45Å; F12-C16 PolarHBondContact O-N 3.23Å; C16-Q18 PolarHBondContact O-N 2.67Å; C16-Q18 PolarHBondContact SG-O 2.68Å
17D74.5Confident85.2Confident159 Ų15965.6 Ų65.685%0.8536%0.358SS*.SBendtrans-70.1-21.9-177.7-58.7-27.1000112.8
18Q82.8Confident85.3Confident95 Ų9566.9 Ų66.944%0.44437%0.365SS..  trans-135.3109.4-177.8-66.1-172.27.100111.5C16 Q338C16-Q18 PolarHBondContact O-N 2.67Å; C16-Q18 PolarHBondContact SG-O 2.68Å; Q18-Q338 HydrophobicContact CB-CB 4.02Å
19Y90.5Very high85.3Confident59 Ų5966 Ų6623%0.23136%0.359CS..  trans-129.2129.3177.4172.5-112.3000111.5F9 F12 F25 H339 L343 T465 F466F9-Y19 AromaticContact CE2-CD1 3.73Å; F9-Y19 HydrophobicContact CE2-CD1 3.73Å; F9-Y19 AromaticContact CE2-CE1 3.56Å; F9-Y19 HydrophobicContact CE2-CE1 3.56Å; F9-Y19 AromaticContact CZ-CD1 3.79Å; F9-Y19 HydrophobicContact CZ-CD1 3.79Å; F9-Y19 AromaticContact CZ-CE1 3.86Å; F9-Y19 HydrophobicContact CZ-CE1 3.86Å; F12-Y19 HydrophobicContact CE1-CD1 4.11Å; F12-Y19 AromaticContact CE1-CD2 3.58Å; F12-Y19 HydrophobicContact CE1-CD2 3.58Å; F12-Y19 HydrophobicContact CE1-CE2 4.22Å; F12-Y19 AromaticContact CE1-CG 3.53Å; F12-Y19 HydrophobicContact CE1-CG 3.53Å; F12-Y19 AromaticContact CZ-CD2 3.62Å; F12-Y19 HydrophobicContact CZ-CD2 3.62Å; F12-Y19 HydrophobicContact CZ-CE2 4.29Å; F12-Y19 AromaticContact CZ-CG 4Å; F12-Y19 HydrophobicContact CZ-CG 4Å; Y19-F25 HydrophobicContact CE1-CD1 4.41Å; Y19-F25 HydrophobicContact CE2-CE1 4.12Å; Y19-F25 AromaticContact CZ-CE1 3.98Å; Y19-H339 AromaticContact CD2-CE1 3.66Å; Y19-H339 AromaticContact CD2-ND1 3.52Å; Y19-H339 AromaticContact CE2-CE1 3.58Å; Y19-H339 AromaticContact CE2-ND1 3.95Å; Y19-L343 HydrophobicContact CD2-CD2 4.21Å; Y19-L343 HydrophobicContact CE2-CD2 3.94Å; Y19-T465 WeakPolarHBondContact OH-CB 3.46Å; Y19-F466 HydrophobicContact CE2-CB 4.2Å; Y19-F466 PolarHBondContact OH-N 2.54Å
20G89.6Confident85.3Confident13 Ų1367.4 Ų67.413%0.13437%0.366CS..SBendtrans71.2-164.2-177.400000112.2H339G20-H339 PolarHBondContact N-ND1 2.86Å; G20-H339 VanDerWaalsContact N-ND1 3.12Å
21Y89.1Confident85.4Confident42 Ų4266 Ų6617%0.16536%0.36CS..SBendtrans-126.922.7-173.4-47.1-54.7000112.8F25 I329 T330 N335 I336 H339 Y462Y21-F25 AromaticContact CD2-CD2 3.67Å; Y21-F25 HydrophobicContact CD2-CD2 3.67Å; Y21-F25 AromaticContact CD2-CE2 3.76Å; Y21-F25 HydrophobicContact CD2-CE2 3.76Å; Y21-F25 HydrophobicContact CE2-CD2 4.04Å; Y21-F25 AromaticContact CE2-CE2 3.62Å; Y21-F25 HydrophobicContact CE2-CE2 3.62Å; Y21-F25 HydrophobicContact CG-CD2 4.43Å; Y21-I329 WeakPolarHBondContact CB-O 3.23Å; Y21-I329 HydrophobicContact CD2-CG2 4.3Å; Y21-I329 WeakPolarHBondContact CD2-O 3.25Å; Y21-T330 HydrophobicContact CD2-CG2 4.02Å; Y21-T330 HydrophobicContact CE2-CG2 3.56Å; Y21-N335 HydrophobicContact CD1-CB 3.86Å; Y21-N335 HydrophobicContact CE1-CB 4.01Å; Y21-I336 HydrophobicContact CE1-CG1 4.4Å; Y21-H339 HydrophobicContact CE1-CB 3.92Å; Y21-H339 AromaticContact CZ-CD2 3.86Å; Y21-H339 PolarHBondContact OH-CD2 2.97Å; Y21-Y462 WeakPolarHBondContact CE2-O 3.45Å; Y21-Y462 VanDerWaalsContact OH-CA 3.27Å; Y21-Y462 WeakPolarHBondContact OH-CA 3.16Å; Y21-Y462 VanDerWaalsContact OH-CB 3.27Å; Y21-Y462 WeakPolarHBondContact OH-CB 3.24Å; Y21-Y462 PolarHBondContact OH-O 3.41Å
22G78.9Confident85.7Confident49 Ų4966.6 Ų66.651%0.50536%0.361SS..SBendtrans133.4178.1-174.900000113N24 F25G22-N24 PolarHBondContact O-N 2.85Å; G22-N24 VanDerWaalsContact O-N 3.12Å; G22-F25 PolarHBondContact O-N 3.41Å
23G68.8Low85.9Confident97 Ų9766.8 Ų66.8100%136%0.362SS*.THydrogen-bonded Turntrans-64.8-14.6-171.900000116.3
24N80Confident86.1Confident91 Ų9168.9 Ų68.949%0.48737%0.365SS..THydrogen-bonded Turntrans-107.912.2-179.268.7-15.7000113.8G22 R26 D27 V28G22-N24 PolarHBondContact O-N 2.85Å; G22-N24 VanDerWaalsContact O-N 3.12Å; N24-R26 VanDerWaalsContact C-N 3.27Å; N24-R26 PolarHBondContact O-N 2.96Å; N24-D27 PolarHBondContact O-N 2.87Å; N24-V28 WeakPolarHBondContact O-CG2 3.33Å; N24-V28 PolarHBondContact O-N 2.77Å
25F88.3Confident86.3Confident12 Ų1267.9 Ų67.95%0.05336%0.357CS..Hα-helixtrans-51.7-44.1-174.3170.9-116.1000113.2Y19 Y21 G22 V28 V29 H339 T465Y19-F25 HydrophobicContact CE1-CD1 4.41Å; Y19-F25 HydrophobicContact CE2-CE1 4.12Å; Y19-F25 AromaticContact CZ-CE1 3.98Å; Y21-F25 AromaticContact CD2-CD2 3.67Å; Y21-F25 HydrophobicContact CD2-CD2 3.67Å; Y21-F25 AromaticContact CD2-CE2 3.76Å; Y21-F25 HydrophobicContact CD2-CE2 3.76Å; Y21-F25 HydrophobicContact CE2-CD2 4.04Å; Y21-F25 AromaticContact CE2-CE2 3.62Å; Y21-F25 HydrophobicContact CE2-CE2 3.62Å; Y21-F25 HydrophobicContact CG-CD2 4.43Å; G22-F25 PolarHBondContact O-N 3.41Å; F25-V28 PolarHBondContact O-N 2.83Å; F25-V29 HydrophobicContact CD2-CG2 4.08Å; F25-V29 HydrophobicContact CE1-CG2 4.27Å; F25-V29 HydrophobicContact CE2-CG2 3.6Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 2.81Å; F25-H339 AromaticContact CE1-CE1 3.76Å; F25-H339 AromaticContact CZ-CE1 3.6Å; F25-H339 AromaticContact CZ-NE2 3.6Å; F25-T465 HydrophobicContact CE1-CG2 4.19Å
26R87.1Confident86.7Confident144 Ų14468.2 Ų68.254%0.54336%0.359SS..Hα-helixtrans-62.3-45.6178.8-175.9177.7175.4163.30.1112.2N24 V28 V29 E30 E467N24-R26 VanDerWaalsContact C-N 3.27Å; N24-R26 PolarHBondContact O-N 2.96Å; R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.1Å; R26-V29 PolarHBondContact O-N 3.49Å; R26-E30 IonicContact CZ-OE1 3.95Å; R26-E30 IonicContact NE-OE1 3.69Å; R26-E30 PolarHBondContact NE-OE1 2.85Å; R26-E30 VanDerWaalsContact NE-OE1 3.17Å; R26-E30 IonicContact NH2-OE1 2.88Å; R26-E30 WeakPolarHBondContact O-CG 3.47Å; R26-E30 PolarHBondContact O-N 3.22Å; R26-E467 IonicContact NH1-OE1 3.48Å
27D88.2Confident86.9Confident90 Ų9076.8 Ų76.848%0.48140%0.395SS..Hα-helixtrans-63.7-38.8178.3-60.9-23.8000110.9N24 E30 Q31N24-D27 PolarHBondContact O-N 2.87Å; D27-E30 PolarHBondContact O-N 2.92Å; D27-Q31 WeakPolarHBondContact O-CB 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.12Å; D27-Q31 PolarHBondContact O-N 3.03Å
28V89.8Confident87.4Confident28 Ų2872 Ų7217%0.1738%0.383CS..Hα-helixtrans-62.6-45174.4174.70000110.6N24 F25 R26 Q31 E32 I329N24-V28 WeakPolarHBondContact O-CG2 3.33Å; N24-V28 PolarHBondContact O-N 2.77Å; F25-V28 PolarHBondContact O-N 2.83Å; R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.1Å; V28-Q31 PolarHBondContact O-N 2.83Å; V28-E32 HydrophobicContact CG1-CG 3.98Å; V28-E32 VanDerWaalsContact O-CB 3.25Å; V28-E32 WeakPolarHBondContact O-CB 3.3Å; V28-E32 WeakPolarHBondContact O-CG 3.39Å; V28-E32 PolarHBondContact O-N 3.06Å; V28-I329 HydrophobicContact CG1-CG1 4.15Å; V28-I329 HydrophobicContact CG1-CG2 3.93Å
29V91.4Very high87.9Confident19 Ų1969.1 Ų69.112%0.11537%0.372CS..Hα-helixtrans-62.2-46.4176.9172.70000111.1F25 R26 Q31 F33 M463 T465F25-V29 HydrophobicContact CD2-CG2 4.08Å; F25-V29 HydrophobicContact CE1-CG2 4.27Å; F25-V29 HydrophobicContact CE2-CG2 3.6Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 2.81Å; R26-V29 PolarHBondContact O-N 3.49Å; V29-Q31 VanDerWaalsContact C-N 3.26Å; V29-Q31 PolarHBondContact O-N 3.34Å; V29-F33 HydrophobicContact CG1-CD2 4.38Å; V29-F33 WeakPolarHBondContact O-CA 3.46Å; V29-F33 WeakPolarHBondContact O-CB 3.5Å; V29-F33 PolarHBondContact O-N 2.72Å; V29-M463 HydrophobicContact CG2-CB 4.33Å; V29-T465 HydrophobicContact CG1-CG2 4.22Å; V29-T465 HydrophobicContact CG2-CG2 4.47Å
30E90.6Very high88.2Confident108 Ų10866.5 Ų66.551%0.50536%0.362SS..Hα-helixtrans-63.5-30.6178.7-73-175.5-166.700112.6R26 D27 R34R26-E30 IonicContact CZ-OE1 3.95Å; R26-E30 IonicContact NE-OE1 3.69Å; R26-E30 PolarHBondContact NE-OE1 2.85Å; R26-E30 VanDerWaalsContact NE-OE1 3.17Å; R26-E30 IonicContact NH2-OE1 2.88Å; R26-E30 WeakPolarHBondContact O-CG 3.47Å; R26-E30 PolarHBondContact O-N 3.22Å; D27-E30 PolarHBondContact O-N 2.92Å; E30-R34 WeakPolarHBondContact O-CG 3.46Å
31Q91.8Very high88.6Confident109 Ų10967.9 Ų67.951%0.50936%0.363SS..Hα-helixtrans-83.6-45.4177.6-71.5175.520.600113.2D27 V28 V29D27-Q31 WeakPolarHBondContact O-CB 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.12Å; D27-Q31 PolarHBondContact O-N 3.03Å; V28-Q31 PolarHBondContact O-N 2.83Å; V29-Q31 VanDerWaalsContact C-N 3.26Å; V29-Q31 PolarHBondContact O-N 3.34Å
32E95.3Very high89.1Confident24 Ų2465.9 Ų65.911%0.11236%0.356CS..Hα-helixtrans-82.7-19.1-173.7-66.9-64.5154.800112.9V28 P51 E52 S53 I329V28-E32 HydrophobicContact CG1-CG 3.98Å; V28-E32 VanDerWaalsContact O-CB 3.25Å; V28-E32 WeakPolarHBondContact O-CB 3.3Å; V28-E32 WeakPolarHBondContact O-CG 3.39Å; V28-E32 PolarHBondContact O-N 3.06Å; E32-P51 HydrophobicContact CB-CB 3.96Å; E32-P51 HydrophobicContact CG-CB 4.43Å; E32-P51 CarbonylContact O-C 3.54Å; E32-P51 WeakPolarHBondContact O-CA 3.45Å; E32-P51 WeakPolarHBondContact OE2-CB 3.47Å; E32-E52 WeakPolarHBondContact O-CG 3.42Å; E32-E52 PolarHBondContact O-N 2.82Å; E32-E52 PolarHBondContact OE2-N 3.49Å; E32-S53 WeakPolarHBondContact OE1-CB 3.46Å; E32-S53 PolarHBondContact OE1-OG 2.77Å; E32-S53 WeakPolarHBondContact OE2-CB 3.39Å; E32-S53 PolarHBondContact OE2-N 3.25Å; E32-S53 PolarHBondContact OE2-OG 2.79Å; E32-I329 HydrophobicContact CB-CD1 4.39Å; E32-I329 HydrophobicContact CG-CD1 3.97Å
33F95.3Very high90Very high3 Ų364.3 Ų64.31%0.01334%0.335CS..THydrogen-bonded Turntrans-130.239.2-176.3-55.3-86000112.6V29 R35 S36 L49 Y50 P51 Y462 M463V29-F33 HydrophobicContact CG1-CD2 4.38Å; V29-F33 WeakPolarHBondContact O-CA 3.46Å; V29-F33 WeakPolarHBondContact O-CB 3.5Å; V29-F33 PolarHBondContact O-N 2.72Å; F33-R35 PolarHBondContact O-N 3.03Å; F33-S36 PolarHBondContact O-N 2.7Å; F33-S36 PolarHBondContact O-OG 2.92Å; F33-L49 HydrophobicContact CD1-CB 4.03Å; F33-L49 HydrophobicContact CE1-CB 4.06Å; F33-Y50 WeakPolarHBondContact CD1-O 3.31Å; F33-Y50 VanDerWaalsContact CE1-C 3.43Å; F33-Y50 WeakPolarHBondContact CE1-O 3.48Å; F33-P51 HydrophobicContact CE1-CB 4.24Å; F33-P51 HydrophobicContact CE2-CB 4.44Å; F33-P51 HydrophobicContact CZ-CB 3.89Å; F33-Y462 HydrophobicContact CE2-CE2 4.3Å; F33-Y462 AromaticContact CZ-CE2 3.62Å; F33-Y462 HydrophobicContact CZ-CE2 3.62Å; F33-Y462 AromaticContact CZ-CZ 3.97Å; F33-M463 HydrophobicContact CD1-CB 4.42Å; F33-M463 HydrophobicContact CD1-CE 4.29Å; F33-M463 HydrophobicContact CD1-CG 4.12Å; F33-M463 HydrophobicContact CD2-CB 3.7Å; F33-M463 HydrophobicContact CD2-CG 4.23Å; F33-M463 HydrophobicContact CE1-CB 4.2Å; F33-M463 HydrophobicContact CE1-CE 3.44Å; F33-M463 VanDerWaalsContact CE1-CE 3.44Å; F33-M463 HydrophobicContact CE1-CG 4.04Å; F33-M463 HydrophobicContact CE2-CB 3.45Å; F33-M463 VanDerWaalsContact CE2-CB 3.45Å; F33-M463 HydrophobicContact CE2-CG 4.17Å; F33-M463 HydrophobicContact CG-CB 4.19Å; F33-M463 HydrophobicContact CG-CG 4.21Å; F33-M463 HydrophobicContact CZ-CB 3.73Å; F33-M463 HydrophobicContact CZ-CE 3.59Å; F33-M463 HydrophobicContact CZ-CG 4.08Å
34R90.6Very high91.4Very high152 Ų15260.1 Ų60.157%0.57429%0.29SS*.G310 helixtrans-54.5-31.2-178.1-61167.2176.8-179.10.5113.1E30 S36 K37 E52E30-R34 WeakPolarHBondContact O-CG 3.46Å; R34-S36 PolarHBondContact O-N 3.06Å; R34-K37 WeakPolarHBondContact O-CB 3.44Å; R34-K37 PolarHBondContact O-N 2.76Å; R34-E52 WeakPolarHBondContact CB-OE1 3.42Å; R34-E52 PolarHBondContact N-OE1 3.36Å
35R89.2Confident92.2Very high99 Ų9956.5 Ų56.537%0.37427%0.273SS..G310 helixtrans-63.9-16.1176.768.6176.8-161.6-77.7-3.2115F33 Y50F33-R35 PolarHBondContact O-N 3.03Å; R35-Y50 VanDerWaalsContact NH1-CE2 3.34Å; R35-Y50 PolarHBondContact NH1-O 2.81Å; R35-Y50 PolarHBondContact NH2-O 3.28Å
36S87.4Confident92.5Very high28 Ų2857 Ų5720%0.19628%0.279CS..G310 helixtrans-93.85.5171.864.90000113F33 R34 G38 V39F33-S36 PolarHBondContact O-N 2.7Å; F33-S36 PolarHBondContact O-OG 2.92Å; R34-S36 PolarHBondContact O-N 3.06Å; S36-G38 PolarHBondContact O-N 3.07Å; S36-G38 VanDerWaalsContact O-N 3.16Å; S36-V39 WeakPolarHBondContact O-CA 3.27Å; S36-V39 WeakPolarHBondContact O-CB 3.46Å; S36-V39 PolarHBondContact O-N 2.85Å
37K86.9Confident92.9Very high192 Ų19251.6 Ų51.684%0.83527%0.265SS*.THydrogen-bonded Turntrans-55.4124.3178.2-174.2175.1-177.5175.20111R34 V39R34-K37 WeakPolarHBondContact O-CB 3.44Å; R34-K37 PolarHBondContact O-N 2.76Å; K37-V39 PolarHBondContact O-N 3.38Å
38G84.9Confident93.3Very high58 Ų5847.9 Ų47.960%0.59825%0.245SC*.THydrogen-bonded Turntrans77.22.3-178.200000114.8S36 N406S36-G38 PolarHBondContact O-N 3.07Å; S36-G38 VanDerWaalsContact O-N 3.16Å; G38-N406 PolarHBondContact O-ND2 2.87Å
39V92.9Very high93.6Very high34 Ų3447.9 Ų47.921%0.20624%0.244CC..  trans-104.8135.5174.4179.80000108.9S36 K37 N406 H408S36-V39 WeakPolarHBondContact O-CA 3.27Å; S36-V39 WeakPolarHBondContact O-CB 3.46Å; S36-V39 PolarHBondContact O-N 2.85Å; K37-V39 PolarHBondContact O-N 3.38Å; V39-N406 WeakPolarHBondContact CA-ND2 3.49Å; V39-N406 VanDerWaalsContact CG2-ND2 3.29Å; V39-N406 WeakPolarHBondContact CG2-ND2 3.45Å; V39-H408 WeakPolarHBondContact CG1-CD2 3.33Å; V39-H408 WeakPolarHBondContact CG1-NE2 3.33Å
40T97.3Very high93.8Very high4 Ų450.4 Ų50.43%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-104.2100.3166.3-75.70000108.1L42 N406 I407 H408 D468 K471T40-L42 HydrophobicContact CG2-CD1 3.88Å; T40-L42 HydrophobicContact CG2-CD2 4.4Å; T40-L42 HydrophobicContact CG2-CG 3.87Å; T40-N406 PolarHBondContact N-O 3.44Å; T40-I407 HydrophobicContact CG2-CG1 4.38Å; T40-I407 HydrophobicContact CG2-CG2 4.16Å; T40-I407 CarbonylContact O-C 3.56Å; T40-I407 WeakPolarHBondContact O-CA 3.41Å; T40-H408 PolarHBondContact O-N 3.21Å; T40-D468 WeakPolarHBondContact CA-OD1 3.47Å; T40-D468 WeakPolarHBondContact CB-OD1 3.3Å; T40-D468 HydrophobicContact CG2-CB 3.86Å; T40-D468 WeakPolarHBondContact CG2-OD1 3.31Å; T40-D468 PolarHBondContact OG1-OD1 3.35Å; T40-K471 WeakPolarHBondContact OG1-CD 3.09Å
41Y98Very high94.1Very high43 Ų4345.4 Ų45.417%0.16923%0.229CC..EExtended strand (participates in β ladder)trans-95.2111.7-174.4-173.8-95000110.4D43 H44 A47 L49 H408Y41-D43 HydrophobicContact CE2-CB 4.37Å; Y41-D43 PolarHBondContact OH-O 3.12Å; Y41-H44 AromaticContact CD1-CD2 3.86Å; Y41-H44 AromaticContact CD1-CE1 3.49Å; Y41-H44 VanDerWaalsContact CD1-CE1 3.49Å; Y41-H44 WeakPolarHBondContact CD1-CE1 3.32Å; Y41-H44 AromaticContact CD1-NE2 3.43Å; Y41-H44 WeakPolarHBondContact CD1-NE2 3.27Å; Y41-H44 AromaticContact CE1-CE1 3.82Å; Y41-H44 AromaticContact CE1-ND1 3.89Å; Y41-H44 PolarHBondContact O-CD2 2.83Å; Y41-H44 PolarHBondContact O-NE2 3.46Å; Y41-A47 WeakPolarHBondContact CE1-O 3.45Å; Y41-A47 PolarHBondContact OH-O 3.04Å; Y41-L49 HydrophobicContact CD1-CD1 4.05Å; Y41-L49 HydrophobicContact CD1-CD2 4.24Å; Y41-L49 HydrophobicContact CD1-CG 3.97Å; Y41-L49 HydrophobicContact CE1-CD2 4.14Å; Y41-L49 HydrophobicContact CE1-CG 4.12Å; Y41-L49 HydrophobicContact CG-CD1 4.22Å; Y41-L49 HydrophobicContact CG-CD2 4.49Å; Y41-L49 HydrophobicContact CG-CG 4.47Å; Y41-H408 HydrophobicContact CD2-CB 3.79Å; Y41-H408 HydrophobicContact CE2-CB 4.37Å
42L98.5Very high94.3Very high0 Ų043 Ų430%022%0.218CC..  trans-123.127.5-175.6-61.5176.3000112T40 I407 H408 V458 S459 F460 D468 F472T40-L42 HydrophobicContact CG2-CD1 3.88Å; T40-L42 HydrophobicContact CG2-CD2 4.4Å; T40-L42 HydrophobicContact CG2-CG 3.87Å; L42-I407 HydrophobicContact CD1-CG2 4.05Å; L42-H408 CarbonylContact C-O 3.59Å; L42-H408 VanDerWaalsContact C-O 3.3Å; L42-H408 VanDerWaalsContact CA-O 3.28Å; L42-H408 WeakPolarHBondContact CA-O 3.48Å; L42-H408 WeakPolarHBondContact CB-O 3.25Å; L42-H408 PolarHBondContact N-O 3.2Å; L42-V458 HydrophobicContact CB-CB 4.03Å; L42-V458 HydrophobicContact CB-CG1 4.21Å; L42-V458 HydrophobicContact CD1-CB 4.25Å; L42-V458 HydrophobicContact CD1-CG1 4.06Å; L42-V458 CarbonylContact O-C 3.6Å; L42-V458 WeakPolarHBondContact O-CA 3.49Å; L42-S459 CarbonylContact C-O 3.47Å; L42-S459 VanDerWaalsContact CA-O 3.27Å; L42-S459 WeakPolarHBondContact CA-O 3.47Å; L42-S459 PolarHBondContact O-N 2.84Å; L42-S459 PolarHBondContact O-OG 2.85Å; L42-S459 VanDerWaalsContact O-OG 3.07Å; L42-F460 HydrophobicContact CD2-CD1 3.67Å; L42-F460 HydrophobicContact CD2-CE1 3.42Å; L42-F460 VanDerWaalsContact CD2-CE1 3.42Å; L42-F460 HydrophobicContact CD2-CZ 4.08Å; L42-D468 HydrophobicContact CD2-CB 4.3Å; L42-F472 HydrophobicContact CD1-CB 3.81Å; L42-F472 HydrophobicContact CD1-CD2 4.06Å; L42-F472 HydrophobicContact CD1-CG 3.92Å
43D97.8Very high94.4Very high15 Ų1541.9 Ų41.98%0.0821%0.213CC..BIsolated β-bridgetrans-114.834.9177.1-163.921.4000113Y41 A45 A46 A47 H408 R410 R457 S459Y41-D43 HydrophobicContact CE2-CB 4.37Å; Y41-D43 PolarHBondContact OH-O 3.12Å; D43-A45 PolarHBondContact O-N 2.83Å; D43-A46 VanDerWaalsContact CG-CB 3.42Å; D43-A46 WeakPolarHBondContact O-CB 3.23Å; D43-A46 PolarHBondContact O-N 2.96Å; D43-A46 WeakPolarHBondContact OD1-CB 3.42Å; D43-A46 VanDerWaalsContact OD2-CB 3.27Å; D43-A46 WeakPolarHBondContact OD2-CB 3.34Å; D43-A47 PolarHBondContact O-N 3.45Å; D43-H408 PolarHBondContact N-O 2.91Å; D43-R410 WeakPolarHBondContact OD1-CB 3.47Å; D43-R410 WeakPolarHBondContact OD2-CD 3.27Å; D43-R410 IonicContact OD2-NH1 3.75Å; D43-R457 IonicContact OD1-CZ 3.24Å; D43-R457 IonicContact OD1-NH2 3.33Å; D43-R457 PolarHBondContact OD1-NH2 3.31Å; D43-S459 WeakPolarHBondContact CA-OG 3.31Å
44H97.9Very high94.4Very high10 Ų1041.8 Ų41.85%0.04621%0.212CC..THydrogen-bonded Turntrans-59.9-29.4178.8-72.2-75.4000114.4Y41 A46 A47 T48 S459 G461 M463 S464Y41-H44 AromaticContact CD1-CD2 3.86Å; Y41-H44 AromaticContact CD1-CE1 3.49Å; Y41-H44 VanDerWaalsContact CD1-CE1 3.49Å; Y41-H44 WeakPolarHBondContact CD1-CE1 3.32Å; Y41-H44 AromaticContact CD1-NE2 3.43Å; Y41-H44 WeakPolarHBondContact CD1-NE2 3.27Å; Y41-H44 AromaticContact CE1-CE1 3.82Å; Y41-H44 AromaticContact CE1-ND1 3.89Å; Y41-H44 PolarHBondContact O-CD2 2.83Å; Y41-H44 PolarHBondContact O-NE2 3.46Å; H44-A46 VanDerWaalsContact C-N 3.26Å; H44-A46 PolarHBondContact O-N 2.67Å; H44-A47 CarbonylContact O-C 3.59Å; H44-T48 PolarHBondContact ND1-OG1 3.15Å; H44-S459 PolarHBondContact CD2-O 3.48Å; H44-S459 VanDerWaalsContact CD2-O 3.28Å; H44-S459 PolarHBondContact N-OG 3.22Å; H44-G461 PolarHBondContact CD2-N 2.62Å; H44-G461 VanDerWaalsContact CG-CA 3.48Å; H44-G461 VanDerWaalsContact CG-N 3.31Å; H44-M463 PolarHBondContact CE1-SD 3.43Å; H44-S464 PolarHBondContact NE2-OG 2.97Å
45A96.6Very high94.7Very high15 Ų1537.4 Ų37.412%0.12420%0.2CC..THydrogen-bonded Turntrans-71.6-19.4175.900000113.3D43 I380 S459D43-A45 PolarHBondContact O-N 2.83Å; A45-I380 HydrophobicContact CB-CD1 3.57Å; A45-I380 HydrophobicContact CB-CG1 3.89Å; A45-S459 PolarHBondContact N-OG 2.91Å
46A95Very high95.1Very high23 Ų2339.3 Ų39.319%0.1921%0.207CC..THydrogen-bonded Turntrans-79.9-60.6166.800000109.7D43 H44 Y254D43-A46 VanDerWaalsContact CG-CB 3.42Å; D43-A46 WeakPolarHBondContact O-CB 3.23Å; D43-A46 PolarHBondContact O-N 2.96Å; D43-A46 WeakPolarHBondContact OD1-CB 3.42Å; D43-A46 VanDerWaalsContact OD2-CB 3.27Å; D43-A46 WeakPolarHBondContact OD2-CB 3.34Å; H44-A46 VanDerWaalsContact C-N 3.26Å; H44-A46 PolarHBondContact O-N 2.67Å; A46-Y254 WeakPolarHBondContact O-CE2 3.1Å
47A95.6Very high95.6Very high30 Ų3038.8 Ų38.825%0.24820%0.202CC..  trans-151.9138.7177.900000109.8Y41 D43 H44 Y254Y41-A47 WeakPolarHBondContact CE1-O 3.45Å; Y41-A47 PolarHBondContact OH-O 3.04Å; D43-A47 PolarHBondContact O-N 3.45Å; H44-A47 CarbonylContact O-C 3.59Å; A47-Y254 HydrophobicContact CB-CD2 3.65Å; A47-Y254 HydrophobicContact CB-CE2 3.7Å
48T95.9Very high96.1Very high11 Ų1130.8 Ų30.87%0.06717%0.167CC..PPolyproline II helixtrans-90.5172.7175.9-158.60000111.9H44 Y254 K255 G258 Y462H44-T48 PolarHBondContact ND1-OG1 3.15Å; T48-Y254 PolarHBondContact N-O 2.98Å; T48-K255 WeakPolarHBondContact CG2-O 3.33Å; T48-G258 WeakPolarHBondContact O-CA 3.18Å; T48-Y462 HydrophobicContact CG2-CE1 4.37Å
49L96.6Very high96.8Very high28 Ų2834.6 Ų34.615%0.14717%0.167CC..PPolyproline II helixtrans-95.2143.1178.3-57.3178.6000110F33 Y41 Y462 M463F33-L49 HydrophobicContact CD1-CB 4.03Å; F33-L49 HydrophobicContact CE1-CB 4.06Å; Y41-L49 HydrophobicContact CD1-CD1 4.05Å; Y41-L49 HydrophobicContact CD1-CD2 4.24Å; Y41-L49 HydrophobicContact CD1-CG 3.97Å; Y41-L49 HydrophobicContact CE1-CD2 4.14Å; Y41-L49 HydrophobicContact CE1-CG 4.12Å; Y41-L49 HydrophobicContact CG-CD1 4.22Å; Y41-L49 HydrophobicContact CG-CD2 4.49Å; Y41-L49 HydrophobicContact CG-CG 4.47Å; L49-Y462 PolarHBondContact O-OH 3.02Å; L49-M463 HydrophobicContact CB-CE 3.81Å; L49-M463 HydrophobicContact CB-SD 4.35Å; L49-M463 WeakPolarHBondContact O-CE 3.32Å
50Y96.5Very high97Very high73 Ų7339.7 Ų39.729%0.28618%0.183SC..PPolyproline II helixtrans-88.4151.4172.249.4-92.6000112.4F33 R35 L55 F257 G258 F259F33-Y50 WeakPolarHBondContact CD1-O 3.31Å; F33-Y50 VanDerWaalsContact CE1-C 3.43Å; F33-Y50 WeakPolarHBondContact CE1-O 3.48Å; R35-Y50 VanDerWaalsContact NH1-CE2 3.34Å; R35-Y50 PolarHBondContact NH1-O 2.81Å; R35-Y50 PolarHBondContact NH2-O 3.28Å; Y50-L55 HydrophobicContact CD2-CD1 3.83Å; Y50-L55 HydrophobicContact CD2-CG 3.98Å; Y50-L55 HydrophobicContact CE2-CD1 3.41Å; Y50-L55 VanDerWaalsContact CE2-CD1 3.41Å; Y50-L55 HydrophobicContact CE2-CG 4.09Å; Y50-F257 WeakPolarHBondContact CA-O 3.45Å; Y50-F257 VanDerWaalsContact CB-O 3.24Å; Y50-F257 WeakPolarHBondContact CB-O 3.45Å; Y50-G258 WeakPolarHBondContact CD1-O 3.25Å; Y50-F259 HydrophobicContact CD1-CB 3.8Å; Y50-F259 HydrophobicContact CG-CB 3.85Å
51P96.5Very high97Very high2 Ų240.5 Ų40.51%0.01319%0.187CC..PPolyproline II helixtrans-81.6152.2174.929.3-25.4000111.9E32 F33 S53 L54 I329E32-P51 HydrophobicContact CB-CB 3.96Å; E32-P51 HydrophobicContact CG-CB 4.43Å; E32-P51 CarbonylContact O-C 3.54Å; E32-P51 WeakPolarHBondContact O-CA 3.45Å; E32-P51 WeakPolarHBondContact OE2-CB 3.47Å; F33-P51 HydrophobicContact CE1-CB 4.24Å; F33-P51 HydrophobicContact CE2-CB 4.44Å; F33-P51 HydrophobicContact CZ-CB 3.89Å; P51-S53 VanDerWaalsContact C-N 3.31Å; P51-S53 PolarHBondContact O-N 2.98Å; P51-L54 HydrophobicContact CG-CB 3.86Å; P51-L54 WeakPolarHBondContact O-CB 3.42Å; P51-L54 PolarHBondContact O-N 3.21Å; P51-I329 HydrophobicContact CB-CD1 3.71Å; P51-I329 HydrophobicContact CG-CD1 4Å
52E96.4Very high97Very high59 Ų5940.9 Ų40.928%0.27619%0.191SC..Hα-helixtrans-62.7-37178.2-80.4-177.3-158.200112.5E32 R34 L54 L55 R56E32-E52 WeakPolarHBondContact O-CG 3.42Å; E32-E52 PolarHBondContact O-N 2.82Å; E32-E52 PolarHBondContact OE2-N 3.49Å; R34-E52 WeakPolarHBondContact CB-OE1 3.42Å; R34-E52 PolarHBondContact N-OE1 3.36Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.1Å; E52-L55 PolarHBondContact O-N 2.89Å; E52-R56 PolarHBondContact O-N 2.97Å
53S95.8Very high96.9Very high0 Ų044.4 Ų44.40%022%0.216CC..Hα-helixtrans-63-33.5178.358.90000113.2E32 P51 R56 D57 R328E32-S53 WeakPolarHBondContact OE1-CB 3.46Å; E32-S53 PolarHBondContact OE1-OG 2.77Å; E32-S53 WeakPolarHBondContact OE2-CB 3.39Å; E32-S53 PolarHBondContact OE2-N 3.25Å; E32-S53 PolarHBondContact OE2-OG 2.79Å; P51-S53 VanDerWaalsContact C-N 3.31Å; P51-S53 PolarHBondContact O-N 2.98Å; S53-R56 VanDerWaalsContact CB-NH2 3.32Å; S53-R56 PolarHBondContact O-N 2.65Å; S53-D57 VanDerWaalsContact O-CB 3.29Å; S53-D57 WeakPolarHBondContact O-CB 3.31Å; S53-D57 PolarHBondContact O-N 2.92Å; S53-R328 PolarHBondContact OG-NH2 3.26Å
54L97.1Very high96.8Very high1 Ų148.4 Ų48.41%0.00524%0.241CC..Hα-helixtrans-56.2-54.6173-175.2176.4000109.9P51 E52 R56 D57 Y58 F259 H321 A322P51-L54 HydrophobicContact CG-CB 3.86Å; P51-L54 WeakPolarHBondContact O-CB 3.42Å; P51-L54 PolarHBondContact O-N 3.21Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.1Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.39Å; L54-D57 PolarHBondContact O-N 2.98Å; L54-Y58 VanDerWaalsContact O-CB 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.28Å; L54-Y58 PolarHBondContact O-N 3.25Å; L54-F259 HydrophobicContact CD1-CD1 4.46Å; L54-F259 HydrophobicContact CD2-CD1 3.49Å; L54-F259 VanDerWaalsContact CD2-CD1 3.49Å; L54-F259 HydrophobicContact CD2-CE1 3.94Å; L54-F259 HydrophobicContact CD2-CG 4.47Å; L54-H321 HydrophobicContact CG-CB 4.49Å; L54-A322 HydrophobicContact CD1-CB 3.64Å; L54-A322 HydrophobicContact CG-CB 4.25Å
55L96.9Very high96.7Very high60 Ų6051.1 Ų51.131%0.31426%0.256SS..Hα-helixtrans-63.7-39.7-177.5-68.4-173.9000112.1Y50 E52 F59 F259Y50-L55 HydrophobicContact CD2-CD1 3.83Å; Y50-L55 HydrophobicContact CD2-CG 3.98Å; Y50-L55 HydrophobicContact CE2-CD1 3.41Å; Y50-L55 VanDerWaalsContact CE2-CD1 3.41Å; Y50-L55 HydrophobicContact CE2-CG 4.09Å; E52-L55 PolarHBondContact O-N 2.89Å; L55-F59 WeakPolarHBondContact O-CB 3.34Å; L55-F59 PolarHBondContact O-N 3.23Å; L55-F259 HydrophobicContact CD2-CD1 4.05Å; L55-F259 HydrophobicContact CD2-CD2 4.2Å; L55-F259 HydrophobicContact CD2-CE1 3.99Å; L55-F259 HydrophobicContact CD2-CE2 4.22Å; L55-F259 HydrophobicContact CD2-CG 4.13Å; L55-F259 HydrophobicContact CD2-CZ 4.11Å
56R97.1Very high96.7Very high139 Ų13956.7 Ų56.753%0.52528%0.283SS..Hα-helixtrans-64.1-46.6177.7-177.9-17762.6-129.5-1.1111.7E52 S53 L54 R60E52-R56 PolarHBondContact O-N 2.97Å; S53-R56 VanDerWaalsContact CB-NH2 3.32Å; S53-R56 PolarHBondContact O-N 2.65Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.39Å; R56-R60 WeakPolarHBondContact O-CB 3.33Å; R56-R60 PolarHBondContact O-N 2.83Å
57D97.8Very high96.7Very high17 Ų1757.2 Ų57.29%0.09128%0.28CS..Hα-helixtrans-68-41.9-178.3-67.1-21.9000110.6S53 L54 R60 D61 R328S53-D57 VanDerWaalsContact O-CB 3.29Å; S53-D57 WeakPolarHBondContact O-CB 3.31Å; S53-D57 PolarHBondContact O-N 2.92Å; L54-D57 PolarHBondContact O-N 2.98Å; D57-R60 IonicContact OD1-CZ 3.39Å; D57-R60 IonicContact OD1-NH2 3.03Å; D57-R60 PolarHBondContact OD1-NH2 3.3Å; D57-D61 PolarHBondContact O-N 2.77Å; D57-D61 VanDerWaalsContact O-N 3.1Å; D57-R328 IonicContact OD2-CZ 3.92Å; D57-R328 IonicContact OD2-NH1 3.18Å; D57-R328 PolarHBondContact OD2-NH1 3.46Å; D57-R328 IonicContact OD2-NH2 2.96Å; D57-R328 PolarHBondContact OD2-NH2 2.87Å
58Y98Very high96.6Very high25 Ų2556.5 Ų56.510%0.09828%0.276CS..Hα-helixtrans-63.9-47.8173.7171.7-117.4000112.9L54 R60 D61 I62 F259 L314 I317 A318 H321L54-Y58 VanDerWaalsContact O-CB 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.28Å; L54-Y58 PolarHBondContact O-N 3.25Å; Y58-R60 VanDerWaalsContact C-N 3.31Å; Y58-R60 PolarHBondContact O-N 2.73Å; Y58-D61 WeakPolarHBondContact O-CB 3.3Å; Y58-D61 PolarHBondContact O-N 2.8Å; Y58-I62 HydrophobicContact CD2-CG2 3.96Å; Y58-I62 HydrophobicContact CE1-CD1 3.94Å; Y58-I62 HydrophobicContact CE2-CD1 4.48Å; Y58-I62 HydrophobicContact CE2-CG2 3.41Å; Y58-I62 VanDerWaalsContact CE2-CG2 3.41Å; Y58-I62 PolarHBondContact O-N 2.86Å; Y58-F259 HydrophobicContact CD1-CE1 4.01Å; Y58-F259 HydrophobicContact CD1-CZ 4.17Å; Y58-F259 HydrophobicContact CE1-CE1 4.14Å; Y58-F259 AromaticContact CE1-CZ 3.95Å; Y58-F259 HydrophobicContact CE1-CZ 3.95Å; Y58-L314 WeakPolarHBondContact CE2-O 3.21Å; Y58-L314 PolarHBondContact OH-O 2.89Å; Y58-I317 HydrophobicContact CE2-CG2 4.43Å; Y58-A318 HydrophobicContact CD1-CB 4.47Å; Y58-A318 HydrophobicContact CD2-CB 3.79Å; Y58-A318 HydrophobicContact CE1-CB 4.45Å; Y58-A318 HydrophobicContact CE2-CB 3.76Å; Y58-A318 HydrophobicContact CG-CB 4.15Å; Y58-H321 AromaticContact CD2-CD2 3.99Å
59F97.9Very high96.5Very high137 Ų13759.1 Ų59.160%0.60129%0.29SS*.Hα-helixtrans-60.2-42.6179.2177-100.3000111.5L55 I62 S63L55-F59 WeakPolarHBondContact O-CB 3.34Å; L55-F59 PolarHBondContact O-N 3.23Å; F59-I62 WeakPolarHBondContact O-CG1 3.22Å; F59-S63 WeakPolarHBondContact CZ-OG 3.39Å; F59-S63 WeakPolarHBondContact O-CB 3.28Å; F59-S63 PolarHBondContact O-N 3.32Å; F59-S63 PolarHBondContact O-OG 3.46Å
60R98Very high96.1Very high142 Ų14258.5 Ų58.554%0.53629%0.287SS..Hα-helixtrans-59-48.7175178.9178.656.2-152-13.7110.8R56 D57 Y58 S63 T64R56-R60 WeakPolarHBondContact O-CB 3.33Å; R56-R60 PolarHBondContact O-N 2.83Å; D57-R60 IonicContact OD1-CZ 3.39Å; D57-R60 IonicContact OD1-NH2 3.03Å; D57-R60 PolarHBondContact OD1-NH2 3.3Å; Y58-R60 VanDerWaalsContact C-N 3.31Å; Y58-R60 PolarHBondContact O-N 2.73Å; R60-S63 PolarHBondContact O-N 2.94Å; R60-T64 WeakPolarHBondContact O-CG2 3.48Å; R60-T64 PolarHBondContact O-N 2.68Å; R60-T64 PolarHBondContact O-OG1 3.06Å
61D97.8Very high95.5Very high20 Ų2060 Ų6011%0.10730%0.297CS..Hα-helixtrans-55.2-55.7179.3179.610.5000112D57 Y58 S63 T64 N65 Y67 H321D57-D61 PolarHBondContact O-N 2.77Å; D57-D61 VanDerWaalsContact O-N 3.1Å; Y58-D61 WeakPolarHBondContact O-CB 3.3Å; Y58-D61 PolarHBondContact O-N 2.8Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 2.81Å; D61-T64 PolarHBondContact O-N 3.11Å; D61-T64 PolarHBondContact O-OG1 3.14Å; D61-T64 VanDerWaalsContact O-OG1 3.08Å; D61-N65 WeakPolarHBondContact O-CB 3.27Å; D61-N65 PolarHBondContact O-N 2.89Å; D61-N65 PolarHBondContact O-ND2 2.88Å; D61-N65 VanDerWaalsContact O-ND2 3.14Å; D61-N65 PolarHBondContact OD1-ND2 3.15Å; D61-Y67 PolarHBondContact OD1-OH 3.19Å; D61-Y67 PolarHBondContact OD2-OH 2.97Å; D61-H321 IonicContact OD2-CD2 3.91Å; D61-H321 IonicContact OD2-CE1 3.09Å; D61-H321 IonicContact OD2-NE2 2.87Å; D61-H321 PolarHBondContact OD2-NE2 2.88Å
62I96.8Very high95Very high52 Ų5263 Ų6327%0.26732%0.318SS..Hα-helixtrans-70.4-20.1-178.467.6173.9000113.8Y58 F59 Y67 L314Y58-I62 HydrophobicContact CD2-CG2 3.96Å; Y58-I62 HydrophobicContact CE1-CD1 3.94Å; Y58-I62 HydrophobicContact CE2-CD1 4.48Å; Y58-I62 HydrophobicContact CE2-CG2 3.41Å; Y58-I62 VanDerWaalsContact CE2-CG2 3.41Å; Y58-I62 PolarHBondContact O-N 2.86Å; F59-I62 WeakPolarHBondContact O-CG1 3.22Å; I62-Y67 HydrophobicContact CG2-CD2 4.24Å; I62-Y67 HydrophobicContact CG2-CE2 4.16Å; I62-L314 HydrophobicContact CG2-CD2 4.28Å
63S97Very high94.6Very high73 Ų7369.5 Ų69.551%0.5135%0.348SS..Hα-helixtrans-81.6-24.4175.4-59.70000112.3F59 R60 D61F59-S63 WeakPolarHBondContact CZ-OG 3.39Å; F59-S63 WeakPolarHBondContact O-CB 3.28Å; F59-S63 PolarHBondContact O-N 3.32Å; F59-S63 PolarHBondContact O-OG 3.46Å; R60-S63 PolarHBondContact O-N 2.94Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 2.81Å
64T96.4Very high94.4Very high100 Ų10071.4 Ų71.461%0.61336%0.361SS*.Hα-helixtrans-98.3-23-179.353.90000113.6R60 D61R60-T64 WeakPolarHBondContact O-CG2 3.48Å; R60-T64 PolarHBondContact O-N 2.68Å; R60-T64 PolarHBondContact O-OG1 3.06Å; D61-T64 PolarHBondContact O-N 3.11Å; D61-T64 PolarHBondContact O-OG1 3.14Å; D61-T64 VanDerWaalsContact O-OG1 3.08Å
65N95.4Very high94.2Very high66 Ų6676.9 Ų76.935%0.35340%0.396SS..SBendtrans-112.3140.1-175.7-66.4-59.4000111.5D61 Y67 L79D61-N65 WeakPolarHBondContact O-CB 3.27Å; D61-N65 PolarHBondContact O-N 2.89Å; D61-N65 PolarHBondContact O-ND2 2.88Å; D61-N65 VanDerWaalsContact O-ND2 3.14Å; D61-N65 PolarHBondContact OD1-ND2 3.15Å; N65-Y67 HydrophobicContact CB-CD2 4.17Å; N65-Y67 HydrophobicContact CB-CE2 3.61Å; N65-Y67 PolarHBondContact O-N 3.16Å; N65-L79 HydrophobicContact CB-CD2 4.24Å
66L96Very high94Very high133 Ų13375.3 Ų75.370%0.69639%0.391SS*.  trans-90.196.8173.3-17963.8000109.7S76L66-S76 WeakPolarHBondContact O-CA 3.34Å; L66-S76 WeakPolarHBondContact O-CB 3.28Å
67Y96.1Very high93.9Very high33 Ų3368.8 Ų68.813%0.12937%0.367CS..  trans-86.9126.8171.4-64.9-72000110.5D61 I62 N65 L79 T80 L314 I317D61-Y67 PolarHBondContact OD1-OH 3.19Å; D61-Y67 PolarHBondContact OD2-OH 2.97Å; I62-Y67 HydrophobicContact CG2-CD2 4.24Å; I62-Y67 HydrophobicContact CG2-CE2 4.16Å; N65-Y67 HydrophobicContact CB-CD2 4.17Å; N65-Y67 HydrophobicContact CB-CE2 3.61Å; N65-Y67 PolarHBondContact O-N 3.16Å; Y67-L79 HydrophobicContact CD1-CD2 4.32Å; Y67-L79 HydrophobicContact CD1-CG 4.24Å; Y67-L79 HydrophobicContact CE1-CD2 4.02Å; Y67-L79 HydrophobicContact CE1-CG 3.86Å; Y67-T80 WeakPolarHBondContact CA-OG1 3.25Å; Y67-L314 HydrophobicContact CD2-CD2 4.29Å; Y67-L314 HydrophobicContact CG-CD2 4.4Å; Y67-I317 HydrophobicContact CD1-CD1 3.45Å; Y67-I317 VanDerWaalsContact CD1-CD1 3.45Å; Y67-I317 HydrophobicContact CD2-CD1 4.11Å; Y67-I317 HydrophobicContact CE1-CD1 3.58Å; Y67-I317 HydrophobicContact CE1-CG1 4.39Å; Y67-I317 HydrophobicContact CE2-CD1 4.21Å; Y67-I317 HydrophobicContact CE2-CG2 4.44Å; Y67-I317 HydrophobicContact CG-CD1 3.73Å
68G93.4Very high93.6Very high16 Ų1670.7 Ų70.717%0.16538%0.381CS..  trans-117175.5178.400000111.4S76 T80G68-S76 PolarHBondContact N-O 3.5Å; G68-T80 PolarHBondContact N-OG1 3.31Å; G68-T80 VanDerWaalsContact N-OG1 3.1Å; G68-T80 WeakPolarHBondContact O-CB 3.25Å; G68-T80 WeakPolarHBondContact O-CG2 3.3Å; G68-T80 PolarHBondContact O-OG1 2.83Å
69N93.3Very high93.4Very high66 Ų6672.4 Ų72.435%0.35339%0.392SS..  trans-56.5128.6173.7-171.5-50.4000110.3H71 S77 T310N69-H71 PolarHBondContact O-N 2.62Å; N69-H71 VanDerWaalsContact O-N 3.14Å; N69-H71 PolarHBondContact OD1-CD2 3.25Å; N69-H71 PolarHBondContact OD1-N 3.44Å; N69-H71 VanDerWaalsContact OD1-N 3.13Å; N69-S77 WeakPolarHBondContact O-CB 3.24Å; N69-S77 PolarHBondContact O-OG 3.2Å; N69-T310 PolarHBondContact ND2-OG1 2.92Å
70P88.3Confident93.3Very high14 Ų1465.9 Ų65.99%0.09136%0.363CS..THydrogen-bonded Turntrans-69-11.5-171.727.5-35.8000114.6T80 H81P70-T80 HydrophobicContact CB-CG2 4.1Å; P70-H81 HydrophobicContact CB-CB 4.27Å
71H84.1Confident93.2Very high105 Ų10563.2 Ų63.249%0.48636%0.356SS..THydrogen-bonded Turntrans-93.610.5-173-53.3-66.6000114.8N69N69-H71 PolarHBondContact O-N 2.62Å; N69-H71 VanDerWaalsContact O-N 3.14Å; N69-H71 PolarHBondContact OD1-CD2 3.25Å; N69-H71 PolarHBondContact OD1-N 3.44Å; N69-H71 VanDerWaalsContact OD1-N 3.13Å
72S86.2Confident93Very high65 Ų6567.1 Ų67.146%0.45538%0.377SS..SBendtrans-107.6166.7174.9-48.60000111.7S74 S77S72-S74 VanDerWaalsContact C-N 3.29Å; S72-S74 PolarHBondContact O-N 2.85Å; S72-S77 WeakPolarHBondContact CB-OG 3.49Å; S72-S77 WeakPolarHBondContact O-CB 3.09Å
73H86.8Confident93Very high195 Ų19565.6 Ų65.690%0.90337%0.37SS*.SBendtrans-88.712177.8-58.3-64.5000114.1
74S92.3Very high93Very high40 Ų4062.4 Ų62.428%0.2835%0.348SS..SBendtrans-74.8153.2-179.778.80000111.3S72 S76 S77 S78S72-S74 VanDerWaalsContact C-N 3.29Å; S72-S74 PolarHBondContact O-N 2.85Å; S74-S76 PolarHBondContact O-N 2.93Å; S74-S76 PolarHBondContact OG-OG 3.18Å; S74-S77 WeakPolarHBondContact O-CA 3.37Å; S74-S77 WeakPolarHBondContact O-CB 3.2Å; S74-S77 PolarHBondContact O-N 3.35Å; S74-S77 WeakPolarHBondContact OG-CB 3.37Å; S74-S77 PolarHBondContact OG-N 3.42Å; S74-S77 PolarHBondContact OG-OG 3.26Å; S74-S78 PolarHBondContact O-N 3.15Å
75P92.6Very high93Very high116 Ų11660.1 Ų60.175%0.75333%0.33SS*.Hα-helixtrans-54.3-39176.4-28.135.6000113.8S77 S78 L79P75-S77 VanDerWaalsContact C-N 3.3Å; P75-S77 PolarHBondContact O-N 3.47Å; P75-S78 PolarHBondContact O-N 3.38Å; P75-L79 WeakPolarHBondContact O-CB 3.4Å; P75-L79 PolarHBondContact O-N 2.97Å
76S93.9Very high93Very high27 Ų2764.3 Ų64.319%0.18934%0.341CS..Hα-helixtrans-65.1-32.8175.444.70000113.2L66 G68 S74 T80L66-S76 WeakPolarHBondContact O-CA 3.34Å; L66-S76 WeakPolarHBondContact O-CB 3.28Å; G68-S76 PolarHBondContact N-O 3.5Å; S74-S76 PolarHBondContact O-N 2.93Å; S74-S76 PolarHBondContact OG-OG 3.18Å; S76-T80 WeakPolarHBondContact O-CB 3.46Å; S76-T80 PolarHBondContact O-N 3.35Å; S76-T80 PolarHBondContact O-OG1 3.03Å
77S93.3Very high93.1Very high3 Ų358 Ų582%0.02131%0.308CS..Hα-helixtrans-73.5-45.2177-61.70000111.5N69 S72 S74 P75 T80 H81N69-S77 WeakPolarHBondContact O-CB 3.24Å; N69-S77 PolarHBondContact O-OG 3.2Å; S72-S77 WeakPolarHBondContact CB-OG 3.49Å; S72-S77 WeakPolarHBondContact O-CB 3.09Å; S74-S77 WeakPolarHBondContact O-CA 3.37Å; S74-S77 WeakPolarHBondContact O-CB 3.2Å; S74-S77 PolarHBondContact O-N 3.35Å; S74-S77 WeakPolarHBondContact OG-CB 3.37Å; S74-S77 PolarHBondContact OG-N 3.42Å; S74-S77 PolarHBondContact OG-OG 3.26Å; P75-S77 VanDerWaalsContact C-N 3.3Å; P75-S77 PolarHBondContact O-N 3.47Å; S77-T80 WeakPolarHBondContact O-CB 3.25Å; S77-T80 PolarHBondContact O-N 3.11Å; S77-T80 VanDerWaalsContact O-N 3.16Å; S77-H81 PolarHBondContact O-N 3.34Å
78S92.3Very high93.2Very high56 Ų5657 Ų5739%0.39230%0.304SS..Hα-helixtrans-59.9-46.3175.4-60.90000111.6S74 P75 T80 H81 D82S74-S78 PolarHBondContact O-N 3.15Å; P75-S78 PolarHBondContact O-N 3.38Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.46Å; S78-H81 PolarHBondContact O-N 2.86Å; S78-D82 WeakPolarHBondContact O-CB 3.33Å; S78-D82 VanDerWaalsContact O-CG 3.22Å; S78-D82 PolarHBondContact O-N 3.09Å
79L94Very high93.4Very high62 Ų6259.8 Ų59.833%0.32532%0.315SS..Hα-helixtrans-56.1-42.9174.2175.162.3000112N65 Y67 P75 T83N65-L79 HydrophobicContact CB-CD2 4.24Å; Y67-L79 HydrophobicContact CD1-CD2 4.32Å; Y67-L79 HydrophobicContact CD1-CG 4.24Å; Y67-L79 HydrophobicContact CE1-CD2 4.02Å; Y67-L79 HydrophobicContact CE1-CG 3.86Å; P75-L79 WeakPolarHBondContact O-CB 3.4Å; P75-L79 PolarHBondContact O-N 2.97Å; L79-T83 VanDerWaalsContact O-CB 3.31Å; L79-T83 WeakPolarHBondContact O-CB 3.29Å; L79-T83 PolarHBondContact O-N 3.03Å; L79-T83 PolarHBondContact O-OG1 3.07Å
80T96.6Very high93.6Very high0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-65.9-46.8179.2-54.90000111.1Y67 G68 P70 S76 S77 S78 T83 V84 F313Y67-T80 WeakPolarHBondContact CA-OG1 3.25Å; G68-T80 PolarHBondContact N-OG1 3.31Å; G68-T80 VanDerWaalsContact N-OG1 3.1Å; G68-T80 WeakPolarHBondContact O-CB 3.25Å; G68-T80 WeakPolarHBondContact O-CG2 3.3Å; G68-T80 PolarHBondContact O-OG1 2.83Å; P70-T80 HydrophobicContact CB-CG2 4.1Å; S76-T80 WeakPolarHBondContact O-CB 3.46Å; S76-T80 PolarHBondContact O-N 3.35Å; S76-T80 PolarHBondContact O-OG1 3.03Å; S77-T80 WeakPolarHBondContact O-CB 3.25Å; S77-T80 PolarHBondContact O-N 3.11Å; S77-T80 VanDerWaalsContact O-N 3.16Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.46Å; T80-T83 PolarHBondContact O-N 2.91Å; T80-V84 HydrophobicContact CG2-CG2 4.49Å; T80-V84 WeakPolarHBondContact O-CB 3.14Å; T80-V84 VanDerWaalsContact O-CG2 3.31Å; T80-V84 WeakPolarHBondContact O-CG2 3.39Å; T80-V84 PolarHBondContact O-N 2.99Å; T80-F313 HydrophobicContact CG2-CB 3.64Å; T80-F313 HydrophobicContact CG2-CD2 3.5Å; T80-F313 HydrophobicContact CG2-CE2 4.29Å; T80-F313 HydrophobicContact CG2-CG 3.65Å
81H94.5Very high94.1Very high86 Ų8657.6 Ų57.640%0.39830%0.3SS..Hα-helixtrans-58.7-52.6177.117875.9000111.5P70 S77 S78 T83 V84 E85P70-H81 HydrophobicContact CB-CB 4.27Å; S77-H81 PolarHBondContact O-N 3.34Å; S78-H81 PolarHBondContact O-N 2.86Å; H81-T83 VanDerWaalsContact C-N 3.25Å; H81-T83 PolarHBondContact O-N 3.41Å; H81-V84 PolarHBondContact O-N 3.1Å; H81-V84 VanDerWaalsContact O-N 3.13Å; H81-E85 PolarHBondContact O-N 2.9Å
82D94.7Very high94.8Very high102 Ų10252.8 Ų52.855%0.54528%0.278SS..Hα-helixtrans-60.4-37.1-179.5-65.7-15.1000111.8S78 R86S78-D82 WeakPolarHBondContact O-CB 3.33Å; S78-D82 VanDerWaalsContact O-CG 3.22Å; S78-D82 PolarHBondContact O-N 3.09Å; D82-R86 VanDerWaalsContact O-CB 3.31Å; D82-R86 WeakPolarHBondContact O-CB 3.37Å; D82-R86 PolarHBondContact O-N 3.49Å
83T96.7Very high95.4Very high20 Ų2056.2 Ų56.212%0.12329%0.287CS..Hα-helixtrans-70.9-40.7177.7-53.30000111.6L79 T80 H81 R86 V87 I317L79-T83 VanDerWaalsContact O-CB 3.31Å; L79-T83 WeakPolarHBondContact O-CB 3.29Å; L79-T83 PolarHBondContact O-N 3.03Å; L79-T83 PolarHBondContact O-OG1 3.07Å; T80-T83 PolarHBondContact O-N 2.91Å; H81-T83 VanDerWaalsContact C-N 3.25Å; H81-T83 PolarHBondContact O-N 3.41Å; T83-R86 PolarHBondContact O-N 2.82Å; T83-V87 WeakPolarHBondContact O-CG2 3.35Å; T83-V87 PolarHBondContact O-N 2.88Å; T83-I317 HydrophobicContact CG2-CB 4.47Å; T83-I317 HydrophobicContact CG2-CG1 3.73Å; T83-I317 HydrophobicContact CG2-CG2 4.33Å
84V97.1Very high95.9Very high5 Ų548 Ų483%0.0325%0.249CC..Hα-helixtrans-61.9-46.2175.31650000110.7T80 H81 V87 R88 F106 F313 I316T80-V84 HydrophobicContact CG2-CG2 4.49Å; T80-V84 WeakPolarHBondContact O-CB 3.14Å; T80-V84 VanDerWaalsContact O-CG2 3.31Å; T80-V84 WeakPolarHBondContact O-CG2 3.39Å; T80-V84 PolarHBondContact O-N 2.99Å; H81-V84 PolarHBondContact O-N 3.1Å; H81-V84 VanDerWaalsContact O-N 3.13Å; V84-V87 WeakPolarHBondContact O-CB 3.41Å; V84-V87 PolarHBondContact O-N 2.79Å; V84-V87 VanDerWaalsContact O-N 3.15Å; V84-R88 PolarHBondContact O-N 3.08Å; V84-F106 HydrophobicContact CG1-CE2 4.25Å; V84-F313 HydrophobicContact CG2-CB 4Å; V84-I316 HydrophobicContact CB-CG2 4.36Å; V84-I316 HydrophobicContact CG1-CD1 4.46Å; V84-I316 HydrophobicContact CG1-CG2 4.23Å; V84-I316 HydrophobicContact CG2-CB 4.4Å; V84-I316 HydrophobicContact CG2-CG2 4.03Å
85E95.6Very high96.2Very high53 Ų5346.2 Ų46.225%0.24824%0.236CC..Hα-helixtrans-66.1-39.6178.7-69.5-54.5109.500111.9H81 V87 R88 D89H81-E85 PolarHBondContact O-N 2.9Å; E85-V87 VanDerWaalsContact C-N 3.3Å; E85-V87 PolarHBondContact O-N 3.33Å; E85-R88 WeakPolarHBondContact O-CA 3.37Å; E85-R88 WeakPolarHBondContact O-CB 3.3Å; E85-R88 PolarHBondContact O-N 3.25Å; E85-R88 VanDerWaalsContact O-N 3.07Å; E85-R88 IonicContact OE1-CZ 3.62Å; E85-R88 IonicContact OE1-NE 3.82Å; E85-R88 PolarHBondContact OE1-NE 3.07Å; E85-R88 IonicContact OE1-NH2 3.17Å; E85-R88 PolarHBondContact OE1-NH2 2.98Å; E85-R88 IonicContact OE2-NE 3.96Å; E85-D89 PolarHBondContact O-N 3.14Å
86R96.4Very high96.4Very high154 Ų15444.3 Ų44.358%0.58122%0.219SC*.Hα-helixtrans-59.1-40.7171.3-179.1178.8177179-0112.2D82 T83 R88 D89 R90D82-R86 VanDerWaalsContact O-CB 3.31Å; D82-R86 WeakPolarHBondContact O-CB 3.37Å; D82-R86 PolarHBondContact O-N 3.49Å; T83-R86 PolarHBondContact O-N 2.82Å; R86-R88 VanDerWaalsContact C-N 3.31Å; R86-D89 PolarHBondContact O-N 2.78Å; R86-R90 WeakPolarHBondContact O-CG 3.3Å; R86-R90 PolarHBondContact O-N 3.47Å
87V98.3Very high96.6Very high0 Ų043.3 Ų43.30%021%0.212CC..Hα-helixtrans-65.5-38.2175.7171.20000110.7T83 V84 E85 D89 R90 V91 F106 I316 L319 N320T83-V87 WeakPolarHBondContact O-CG2 3.35Å; T83-V87 PolarHBondContact O-N 2.88Å; V84-V87 WeakPolarHBondContact O-CB 3.41Å; V84-V87 PolarHBondContact O-N 2.79Å; V84-V87 VanDerWaalsContact O-N 3.15Å; E85-V87 VanDerWaalsContact C-N 3.3Å; E85-V87 PolarHBondContact O-N 3.33Å; V87-D89 VanDerWaalsContact C-N 3.32Å; V87-D89 PolarHBondContact O-N 2.91Å; V87-R90 WeakPolarHBondContact O-CB 3.5Å; V87-R90 PolarHBondContact O-N 3.3Å; V87-R90 VanDerWaalsContact O-N 3.13Å; V87-V91 HydrophobicContact CG1-CG2 4.48Å; V87-V91 WeakPolarHBondContact O-CG2 3.32Å; V87-V91 PolarHBondContact O-N 2.83Å; V87-F106 HydrophobicContact CG1-CZ 4.15Å; V87-I316 HydrophobicContact CB-CG2 3.86Å; V87-I316 HydrophobicContact CG1-CG2 3.69Å; V87-I316 WeakPolarHBondContact CG1-O 3.48Å; V87-I316 HydrophobicContact CG2-CG2 4.35Å; V87-L319 HydrophobicContact CG1-CB 3.81Å; V87-L319 HydrophobicContact CG1-CD1 4.01Å; V87-L319 HydrophobicContact CG1-CG 4.47Å; V87-N320 HydrophobicContact CG2-CB 3.87Å
88R97.9Very high96.8Very high12 Ų1246.5 Ų46.55%0.04523%0.231CC..Hα-helixtrans-56-47.1174.7-151.6-178.9-68.8-79.55.1111.3V84 E85 R86 R90 V91 L92 V104 F106 E307V84-R88 PolarHBondContact O-N 3.08Å; E85-R88 WeakPolarHBondContact O-CA 3.37Å; E85-R88 WeakPolarHBondContact O-CB 3.3Å; E85-R88 PolarHBondContact O-N 3.25Å; E85-R88 VanDerWaalsContact O-N 3.07Å; E85-R88 IonicContact OE1-CZ 3.62Å; E85-R88 IonicContact OE1-NE 3.82Å; E85-R88 PolarHBondContact OE1-NE 3.07Å; E85-R88 IonicContact OE1-NH2 3.17Å; E85-R88 PolarHBondContact OE1-NH2 2.98Å; E85-R88 IonicContact OE2-NE 3.96Å; R86-R88 VanDerWaalsContact C-N 3.31Å; R88-R90 PolarHBondContact O-N 3.25Å; R88-V91 WeakPolarHBondContact O-CB 3.45Å; R88-V91 PolarHBondContact O-N 2.83Å; R88-L92 PolarHBondContact O-N 3.02Å; R88-L92 VanDerWaalsContact O-N 3.16Å; R88-V104 HydrophobicContact CG-CB 3.6Å; R88-V104 HydrophobicContact CG-CG1 4.35Å; R88-V104 HydrophobicContact CG-CG2 3.89Å; R88-V104 PolarHBondContact NH1-O 2.91Å; R88-F106 HydrophobicContact CG-CE2 4.47Å; R88-E307 IonicContact CZ-OE1 3.76Å; R88-E307 IonicContact CZ-OE2 3.37Å; R88-E307 IonicContact NH1-OE1 2.63Å; R88-E307 PolarHBondContact NH1-OE1 3.26Å; R88-E307 IonicContact NH1-OE2 3.94Å; R88-E307 IonicContact NH2-OE1 3.94Å; R88-E307 PolarHBondContact NH2-OE1 3.21Å; R88-E307 IonicContact NH2-OE2 3.11Å; R88-E307 PolarHBondContact NH2-OE2 2.59Å
89D97.3Very high97Very high75 Ų7547.3 Ų47.340%0.40124%0.237SC..Hα-helixtrans-62.4-40.8174.9-75.9-23.9000112.6E85 R86 V87 V91 L92 Q93E85-D89 PolarHBondContact O-N 3.14Å; R86-D89 PolarHBondContact O-N 2.78Å; V87-D89 VanDerWaalsContact C-N 3.32Å; V87-D89 PolarHBondContact O-N 2.91Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 2.83Å; D89-L92 PolarHBondContact O-N 2.91Å; D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.23Å; D89-Q93 PolarHBondContact O-N 2.87Å
90R97.9Very high97.1Very high34 Ų3453.2 Ų53.213%0.12826%0.26CS..Hα-helixtrans-62.2-37.6175.7-72.3-172.371.7143.317.2112.6R86 V87 R88 Q93 H94 N320 F323 E324R86-R90 WeakPolarHBondContact O-CG 3.3Å; R86-R90 PolarHBondContact O-N 3.47Å; V87-R90 WeakPolarHBondContact O-CB 3.5Å; V87-R90 PolarHBondContact O-N 3.3Å; V87-R90 VanDerWaalsContact O-N 3.13Å; R88-R90 PolarHBondContact O-N 3.25Å; R90-Q93 PolarHBondContact O-N 3.03Å; R90-H94 WeakPolarHBondContact O-CB 3.4Å; R90-H94 PolarHBondContact O-N 2.79Å; R90-N320 WeakPolarHBondContact CD-OD1 3.41Å; R90-N320 PolarHBondContact NH1-O 3.45Å; R90-N320 PolarHBondContact NH1-OD1 3.18Å; R90-F323 HydrophobicContact CB-CD2 4.14Å; R90-F323 HydrophobicContact CB-CE2 4.24Å; R90-F323 VanDerWaalsContact NH2-CB 3.28Å; R90-E324 IonicContact CZ-OE1 3.02Å; R90-E324 IonicContact NH1-OE1 3.06Å; R90-E324 PolarHBondContact NH1-OE1 3.02Å; R90-E324 IonicContact NH2-OE1 2.78Å; R90-E324 PolarHBondContact NH2-OE1 3.36Å
91V98.6Very high97.1Very high0 Ų056.8 Ų56.80%028%0.277CS..Hα-helixtrans-61.5-46.7174.4173.40000109.8V87 R88 D89 Q93 H94 F95 V104 F253 L267 F323V87-V91 HydrophobicContact CG1-CG2 4.48Å; V87-V91 WeakPolarHBondContact O-CG2 3.32Å; V87-V91 PolarHBondContact O-N 2.83Å; R88-V91 WeakPolarHBondContact O-CB 3.45Å; R88-V91 PolarHBondContact O-N 2.83Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 2.83Å; V91-Q93 PolarHBondContact O-N 3.29Å; V91-H94 WeakPolarHBondContact O-CB 3.2Å; V91-H94 PolarHBondContact O-N 2.75Å; V91-F95 HydrophobicContact CG1-CD2 4.09Å; V91-F95 HydrophobicContact CG1-CE2 3.97Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 3.13Å; V91-V104 HydrophobicContact CB-CG2 4.17Å; V91-V104 HydrophobicContact CG1-CG1 4.07Å; V91-V104 HydrophobicContact CG1-CG2 3.89Å; V91-F253 HydrophobicContact CG1-CZ 4.37Å; V91-F253 HydrophobicContact CG2-CE1 4.06Å; V91-F253 HydrophobicContact CG2-CZ 3.89Å; V91-L267 HydrophobicContact CG1-CD1 4.46Å; V91-L267 HydrophobicContact CG1-CD2 4.46Å; V91-F323 HydrophobicContact CG2-CE2 3.91Å; V91-F323 HydrophobicContact CG2-CZ 3.97Å
92L98.4Very high97.3Very high4 Ų452.9 Ų52.92%0.02126%0.259CS..Hα-helixtrans-62.9-43.1178.2-65.5168.6000112.2R88 D89 H94 F95 N96 T97 V104 L267R88-L92 PolarHBondContact O-N 3.02Å; R88-L92 VanDerWaalsContact O-N 3.16Å; D89-L92 PolarHBondContact O-N 2.91Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 3.2Å; L92-F95 CarbonylContact O-C 3.58Å; L92-F95 PolarHBondContact O-N 3.47Å; L92-F95 VanDerWaalsContact O-N 3.15Å; L92-N96 PolarHBondContact O-N 3.17Å; L92-T97 CarbonylContact C-O 3.59Å; L92-T97 HydrophobicContact CB-CG2 4.15Å; L92-T97 HydrophobicContact CD2-CG2 3.79Å; L92-T97 WeakPolarHBondContact O-CG2 3.46Å; L92-T97 PolarHBondContact O-N 3.33Å; L92-V104 HydrophobicContact CD1-CG2 4.28Å; L92-V104 HydrophobicContact CD2-CG2 3.61Å; L92-V104 HydrophobicContact CG-CG2 3.64Å; L92-L267 HydrophobicContact CD2-CD2 4.41Å
93Q97.8Very high97.5Very high137 Ų13748.9 Ų48.964%0.6424%0.239SC*.Hα-helixtrans-60.5-41.5175.7-72.5172.18.500112.2D89 R90 V91 F95 N96D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.23Å; D89-Q93 PolarHBondContact O-N 2.87Å; R90-Q93 PolarHBondContact O-N 3.03Å; V91-Q93 PolarHBondContact O-N 3.29Å; Q93-F95 PolarHBondContact O-N 2.98Å; Q93-N96 PolarHBondContact O-N 3.03Å
94H98.2Very high97.6Very high22 Ų2248 Ų4810%0.10223%0.233CC..Hα-helixtrans-58.9-33.7176.9179.580.8000112.6R90 V91 L92 N96 F323 Y327R90-H94 WeakPolarHBondContact O-CB 3.4Å; R90-H94 PolarHBondContact O-N 2.79Å; V91-H94 WeakPolarHBondContact O-CB 3.2Å; V91-H94 PolarHBondContact O-N 2.75Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 3.2Å; H94-N96 VanDerWaalsContact C-N 3.34Å; H94-F323 HydrophobicContact CB-CD1 4.31Å; H94-F323 HydrophobicContact CB-CE1 3.5Å; H94-F323 VanDerWaalsContact CB-CE1 3.5Å; H94-F323 HydrophobicContact CB-CZ 4.1Å; H94-F323 AromaticContact CG-CE1 3.47Å; H94-F323 VanDerWaalsContact CG-CE1 3.47Å; H94-F323 AromaticContact ND1-CD1 4Å; H94-F323 AromaticContact ND1-CE1 3.59Å; H94-Y327 AromaticContact ND1-CZ 3.64Å; H94-Y327 PolarHBondContact ND1-OH 3.33Å
95F98.3Very high97.6Very high2 Ų247.7 Ų47.71%0.00923%0.232CC..THydrogen-bonded Turntrans-94.114.9177.1-65.8-64.2000113.9V91 L92 Q93 T97 V234 L239 L241 I251 L267V91-F95 HydrophobicContact CG1-CD2 4.09Å; V91-F95 HydrophobicContact CG1-CE2 3.97Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 3.13Å; L92-F95 CarbonylContact O-C 3.58Å; L92-F95 PolarHBondContact O-N 3.47Å; L92-F95 VanDerWaalsContact O-N 3.15Å; Q93-F95 PolarHBondContact O-N 2.98Å; F95-T97 PolarHBondContact O-N 2.9Å; F95-V234 HydrophobicContact CE1-CB 4.25Å; F95-V234 HydrophobicContact CE1-CG1 3.63Å; F95-V234 HydrophobicContact CZ-CG1 4.23Å; F95-L239 WeakPolarHBondContact CA-O 3.37Å; F95-L239 HydrophobicContact CD1-CB 4.09Å; F95-L239 HydrophobicContact CD1-CD2 4.14Å; F95-L239 HydrophobicContact CD1-CG 4.29Å; F95-L239 HydrophobicContact CE1-CB 4.35Å; F95-L239 HydrophobicContact CE1-CD2 4.22Å; F95-L241 HydrophobicContact CB-CD1 3.87Å; F95-L241 HydrophobicContact CB-CG 4.05Å; F95-L241 PolarHBondContact O-N 3.17Å; F95-I251 HydrophobicContact CE2-CD1 3.59Å; F95-I251 HydrophobicContact CZ-CD1 3.7Å; F95-I251 HydrophobicContact CZ-CG2 4.26Å; F95-L267 HydrophobicContact CB-CD2 4.36Å; F95-L267 HydrophobicContact CD2-CD1 4.39Å; F95-L267 HydrophobicContact CD2-CD2 3.53Å; F95-L267 HydrophobicContact CE2-CD1 4.18Å; F95-L267 HydrophobicContact CE2-CD2 4.15Å; F95-L267 HydrophobicContact CG-CD2 4.14Å
96N97.7Very high97.8Very high76 Ų7645.9 Ų45.941%0.40622%0.223SC..THydrogen-bonded Turntrans54.746.7178.9-169.637.2000113.2L92 Q93 H94 S240 Q242L92-N96 PolarHBondContact O-N 3.17Å; Q93-N96 PolarHBondContact O-N 3.03Å; H94-N96 VanDerWaalsContact C-N 3.34Å; N96-S240 PolarHBondContact ND2-OG 2.75Å; N96-Q242 VanDerWaalsContact CG-NE2 3.33Å; N96-Q242 PolarHBondContact ND2-NE2 3.41Å; N96-Q242 WeakPolarHBondContact O-CG 3.15Å; N96-Q242 PolarHBondContact O-NE2 3.17Å; N96-Q242 PolarHBondContact OD1-NE2 3.5Å; N96-Q242 VanDerWaalsContact OD1-NE2 3.15Å
97T97.6Very high97.8Very high7 Ų739.5 Ų39.54%0.04320%0.201CC..  trans-142.2-176.4176.4-172.50000111.4L92 F95 E101 Y102 L241L92-T97 CarbonylContact C-O 3.59Å; L92-T97 HydrophobicContact CB-CG2 4.15Å; L92-T97 HydrophobicContact CD2-CG2 3.79Å; L92-T97 WeakPolarHBondContact O-CG2 3.46Å; L92-T97 PolarHBondContact O-N 3.33Å; F95-T97 PolarHBondContact O-N 2.9Å; T97-E101 WeakPolarHBondContact OG1-CB 3.08Å; T97-E101 PolarHBondContact OG1-OE2 2.72Å; T97-Y102 HydrophobicContact CG2-CD2 4.07Å; T97-Y102 HydrophobicContact CG2-CG 4.36Å; T97-Y102 VanDerWaalsContact OG1-CD2 3.31Å; T97-Y102 WeakPolarHBondContact OG1-CD2 3.27Å; T97-L241 HydrophobicContact CG2-CB 4.27Å; T97-L241 HydrophobicContact CG2-CD1 3.84Å
98T96.9Very high97.8Very high69 Ų6943.7 Ų43.742%0.42323%0.23SC..  trans-133.8164.1-176.372.30000111.6K100 E101 Y102T98-K100 PolarHBondContact O-N 3.34Å; T98-K100 VanDerWaalsContact O-N 3.11Å; T98-K100 PolarHBondContact OG1-N 3.32Å; T98-E101 PolarHBondContact O-N 3.21Å; T98-Y102 PolarHBondContact O-N 3.39Å
99S96.1Very high97.8Very high73 Ų7343.5 Ų43.551%0.5123%0.233SC..THydrogen-bonded Turntrans-63.2-16.1177.753.10000113.8Y102 N270S99-Y102 WeakPolarHBondContact CA-O 3.41Å; S99-N270 PolarHBondContact O-ND2 3.19Å
100K95.7Very high97.8Very high186 Ų18640.3 Ų40.381%0.80922%0.216SC*.THydrogen-bonded Turntrans-72.5-33173.2-64.3-177.9178.7178.60112.6T98 N270T98-K100 PolarHBondContact O-N 3.34Å; T98-K100 VanDerWaalsContact O-N 3.11Å; T98-K100 PolarHBondContact OG1-N 3.32Å; K100-N270 PolarHBondContact O-ND2 2.7Å
101E97.3Very high97.8Very high76 Ų7642.7 Ų42.736%0.35523%0.234SC..THydrogen-bonded Turntrans-96.5-41.6-176.4-64.1177158.200111.5T97 T98 N270T97-E101 WeakPolarHBondContact OG1-CB 3.08Å; T97-E101 PolarHBondContact OG1-OE2 2.72Å; T98-E101 PolarHBondContact O-N 3.21Å; E101-N270 WeakPolarHBondContact O-CB 3.48Å; E101-N270 PolarHBondContact O-N 3.21Å
102Y98.4Very high97.8Very high3 Ų344 Ų441%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-131.8145.2-176-76.1-98.7000112.5T97 T98 S99 L241 P245 A246 I249 L267 V268 H269T97-Y102 HydrophobicContact CG2-CD2 4.07Å; T97-Y102 HydrophobicContact CG2-CG 4.36Å; T97-Y102 VanDerWaalsContact OG1-CD2 3.31Å; T97-Y102 WeakPolarHBondContact OG1-CD2 3.27Å; T98-Y102 PolarHBondContact O-N 3.39Å; S99-Y102 WeakPolarHBondContact CA-O 3.41Å; Y102-L241 HydrophobicContact CD1-CD1 4.08Å; Y102-L241 HydrophobicContact CD2-CB 4.44Å; Y102-L241 HydrophobicContact CD2-CD1 4.25Å; Y102-L241 HydrophobicContact CE1-CD1 4.06Å; Y102-L241 HydrophobicContact CE2-CB 3.87Å; Y102-L241 HydrophobicContact CE2-CD1 4.21Å; Y102-L241 HydrophobicContact CG-CD1 4.18Å; Y102-P245 VanDerWaalsContact OH-CA 3.26Å; Y102-P245 WeakPolarHBondContact OH-CA 3.41Å; Y102-A246 WeakPolarHBondContact CE1-O 3.5Å; Y102-A246 PolarHBondContact OH-N 3.01Å; Y102-A246 PolarHBondContact OH-O 3.32Å; Y102-I249 HydrophobicContact CD1-CD1 4.26Å; Y102-I249 HydrophobicContact CE1-CD1 3.54Å; Y102-L267 HydrophobicContact CD1-CB 4.32Å; Y102-V268 VanDerWaalsContact CA-O 3.3Å; Y102-V268 WeakPolarHBondContact CA-O 3.34Å; Y102-V268 WeakPolarHBondContact CD1-O 3.45Å; Y102-H269 HydrophobicContact CD1-CB 4.2Å; Y102-H269 HydrophobicContact CE1-CB 3.71Å; Y102-H269 AromaticContact CE2-CD2 3.64Å; Y102-H269 AromaticContact CZ-CD2 3.52Å
103S98.4Very high97.8Very high19 Ų1943.8 Ų43.813%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-104.5143.1166-640000109.8L267 V268 N270 I302S103-L267 CarbonylContact O-C 3.58Å; S103-L267 WeakPolarHBondContact O-CA 3.39Å; S103-V268 PolarHBondContact N-O 3.49Å; S103-V268 PolarHBondContact O-N 3.45Å; S103-N270 PolarHBondContact N-OD1 3.02Å; S103-N270 VanDerWaalsContact N-OD1 3.09Å; S103-N270 PolarHBondContact OG-OD1 3.47Å; S103-I302 WeakPolarHBondContact OG-CD1 3.13Å
104V98.7Very high97.8Very high0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-98.9133.7171.6-176.40000107.2R88 V91 L92 F106 A265 L267 S303R88-V104 HydrophobicContact CG-CB 3.6Å; R88-V104 HydrophobicContact CG-CG1 4.35Å; R88-V104 HydrophobicContact CG-CG2 3.89Å; R88-V104 PolarHBondContact NH1-O 2.91Å; V91-V104 HydrophobicContact CB-CG2 4.17Å; V91-V104 HydrophobicContact CG1-CG1 4.07Å; V91-V104 HydrophobicContact CG1-CG2 3.89Å; L92-V104 HydrophobicContact CD1-CG2 4.28Å; L92-V104 HydrophobicContact CD2-CG2 3.61Å; L92-V104 HydrophobicContact CG-CG2 3.64Å; V104-F106 HydrophobicContact CG1-CE1 4.33Å; V104-F106 HydrophobicContact CG1-CZ 4.44Å; V104-A265 HydrophobicContact CG1-CB 3.74Å; V104-L267 HydrophobicContact CG2-CG 4.38Å; V104-S303 WeakPolarHBondContact O-CB 3.1Å
105I98.4Very high97.7Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-116.6117.9170.2-62.8160.4000107.1T107 L116 A265 L266 V268 F306 E307I105-T107 HydrophobicContact CG2-CG2 4.37Å; I105-L116 HydrophobicContact CG2-CD2 4.02Å; I105-A265 CarbonylContact O-C 3.5Å; I105-A265 WeakPolarHBondContact O-CA 3.29Å; I105-L266 HydrophobicContact CB-CB 4.3Å; I105-L266 HydrophobicContact CD1-CD2 4.26Å; I105-L266 PolarHBondContact N-O 3.34Å; I105-L266 PolarHBondContact O-N 3.13Å; I105-V268 HydrophobicContact CD1-CG2 3.66Å; I105-F306 HydrophobicContact CD1-CB 3.93Å; I105-F306 HydrophobicContact CD1-CD2 3.44Å; I105-F306 VanDerWaalsContact CD1-CD2 3.44Å; I105-F306 HydrophobicContact CD1-CE2 4.2Å; I105-F306 HydrophobicContact CD1-CG 3.86Å; I105-F306 HydrophobicContact CG1-CB 4.26Å; I105-F306 HydrophobicContact CG1-CD2 4.26Å; I105-F306 HydrophobicContact CG2-CB 3.64Å; I105-E307 WeakPolarHBondContact CA-OE1 3.24Å; I105-E307 HydrophobicContact CG2-CG 4.11Å
106F98.4Very high97.7Very high14 Ų1442.3 Ų42.36%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-71.8136.3177-69.5-66.3000110.9V84 V87 R88 V104 F253 L263 E307 I316 L319V84-F106 HydrophobicContact CG1-CE2 4.25Å; V87-F106 HydrophobicContact CG1-CZ 4.15Å; R88-F106 HydrophobicContact CG-CE2 4.47Å; V104-F106 HydrophobicContact CG1-CE1 4.33Å; V104-F106 HydrophobicContact CG1-CZ 4.44Å; F106-F253 HydrophobicContact CD1-CE2 4.24Å; F106-F253 HydrophobicContact CE1-CE2 4.16Å; F106-F253 HydrophobicContact CE1-CZ 4.34Å; F106-L263 HydrophobicContact CB-CD1 4.41Å; F106-L263 HydrophobicContact CD1-CD1 4.24Å; F106-E307 PolarHBondContact N-OE1 2.89Å; F106-I316 HydrophobicContact CB-CD1 4.12Å; F106-I316 HydrophobicContact CD1-CD1 4.26Å; F106-I316 HydrophobicContact CD1-CG1 4.02Å; F106-I316 HydrophobicContact CD2-CD1 3.51Å; F106-I316 HydrophobicContact CD2-CG1 4.07Å; F106-I316 HydrophobicContact CE1-CG1 4.15Å; F106-I316 HydrophobicContact CE1-CG2 4.21Å; F106-I316 HydrophobicContact CE2-CD1 3.93Å; F106-I316 HydrophobicContact CE2-CG1 4.2Å; F106-I316 HydrophobicContact CE2-CG2 3.83Å; F106-I316 HydrophobicContact CG-CD1 3.7Å; F106-I316 HydrophobicContact CG-CG1 3.98Å; F106-I316 HydrophobicContact CZ-CD1 4.47Å; F106-I316 HydrophobicContact CZ-CG1 4.24Å; F106-I316 HydrophobicContact CZ-CG2 3.66Å; F106-L319 HydrophobicContact CE1-CD1 4.09Å
107T98.1Very high97.7Very high21 Ų2138.7 Ų38.713%0.12922%0.217CC..EExtended strand (participates in β ladder)trans-138.3174.7179.565.30000109.3I105 G109 A113 L116 G264I105-T107 HydrophobicContact CG2-CG2 4.37Å; T107-G109 PolarHBondContact O-N 2.95Å; T107-G109 PolarHBondContact OG1-N 3.47Å; T107-G109 PolarHBondContact OG1-O 3.06Å; T107-G109 VanDerWaalsContact OG1-O 3.09Å; T107-A113 HydrophobicContact CG2-CB 4.14Å; T107-L116 HydrophobicContact CG2-CD2 4.45Å; T107-G264 PolarHBondContact N-O 3.36Å; T107-G264 CarbonylContact O-C 3.54Å; T107-G264 PolarHBondContact O-N 3.49Å; T107-G264 VanDerWaalsContact O-O 3.04Å
108S97.4Very high97.6Very high87 Ų8738.5 Ų38.561%0.60822%0.216SC*.SBendtrans-75.8117671.50000114.2A112 G262S108-A112 VanDerWaalsContact OG-CB 3.3Å; S108-A112 WeakPolarHBondContact OG-CB 3.4Å; S108-G262 CarbonylContact C-O 3.59Å; S108-G262 VanDerWaalsContact CA-O 3.24Å; S108-G262 WeakPolarHBondContact CA-O 3.07Å; S108-G262 CarbonylContact O-C 3.56Å
109G97.7Very high97.5Very high9 Ų939 Ų399%0.09321%0.213CC..SBendtrans149.4174.7-176.500000113.4T107 T111 A112 A113T107-G109 PolarHBondContact O-N 2.95Å; T107-G109 PolarHBondContact OG1-N 3.47Å; T107-G109 PolarHBondContact OG1-O 3.06Å; T107-G109 VanDerWaalsContact OG1-O 3.09Å; G109-T111 VanDerWaalsContact C-N 3.26Å; G109-T111 PolarHBondContact O-N 3.19Å; G109-A112 WeakPolarHBondContact O-CB 3.39Å; G109-A112 PolarHBondContact O-N 2.83Å; G109-A113 PolarHBondContact O-N 3.43Å
110C98Very high97.5Very high7 Ų735.6 Ų35.65%0.04719%0.189CC..Hα-helixtrans-56.9-39.9-179.5166.70000111.6A112 A113 L114 A231 P250 I251 S252C110-A112 VanDerWaalsContact C-N 3.33Å; C110-A112 PolarHBondContact O-N 3.18Å; C110-A113 WeakPolarHBondContact O-CB 3.34Å; C110-A113 PolarHBondContact O-N 2.83Å; C110-L114 WeakPolarHBondContact O-CB 3.24Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 3.27Å; C110-A231 HydrophobicContact CB-CB 3.89Å; C110-P250 HydrophobicContact CB-CB 4.33Å; C110-I251 WeakPolarHBondContact CA-O 3.3Å; C110-I251 PolarHBondContact N-O 3.13Å; C110-I251 VanDerWaalsContact N-O 3.13Å; C110-S252 WeakPolarHBondContact CB-OG 3.48Å; C110-S252 PolarHBondContact N-OG 3.15Å
111T97.9Very high97.5Very high84 Ų8427 Ų2752%0.51515%0.152SC..Hα-helixtrans-62-38.4176.5-53.70000112.7G109 K115 S144G109-T111 VanDerWaalsContact C-N 3.26Å; G109-T111 PolarHBondContact O-N 3.19Å; T111-K115 WeakPolarHBondContact O-CB 3.39Å; T111-K115 PolarHBondContact O-N 3.47Å; T111-S144 PolarHBondContact OG1-OG 3.17Å
112A97.6Very high97.3Very high27 Ų2725.6 Ų25.622%0.22315%0.15CC..Hα-helixtrans-70.7-40.3176.500000111.3S108 G109 C110 K115 L116S108-A112 VanDerWaalsContact OG-CB 3.3Å; S108-A112 WeakPolarHBondContact OG-CB 3.4Å; G109-A112 WeakPolarHBondContact O-CB 3.39Å; G109-A112 PolarHBondContact O-N 2.83Å; C110-A112 VanDerWaalsContact C-N 3.33Å; C110-A112 PolarHBondContact O-N 3.18Å; A112-K115 PolarHBondContact O-N 2.87Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 PolarHBondContact O-N 2.77Å
113A98.4Very high97.1Very high0 Ų026.8 Ų26.80%015%0.154CC..Hα-helixtrans-60.2-45.3172.500000112.8T107 G109 C110 K115 L116 V117 P250 L266T107-A113 HydrophobicContact CG2-CB 4.14Å; G109-A113 PolarHBondContact O-N 3.43Å; C110-A113 WeakPolarHBondContact O-CB 3.34Å; C110-A113 PolarHBondContact O-N 2.83Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 2.92Å; A113-L116 WeakPolarHBondContact O-CB 3.14Å; A113-L116 PolarHBondContact O-N 3.44Å; A113-V117 PolarHBondContact O-N 2.79Å; A113-V117 VanDerWaalsContact O-N 3.08Å; A113-P250 HydrophobicContact CB-CB 3.57Å; A113-L266 HydrophobicContact CB-CB 3.78Å; A113-L266 HydrophobicContact CB-CD1 4.26Å
114L98.4Very high96.6Very high1 Ų127.5 Ų27.51%0.00516%0.159CC..Hα-helixtrans-59.7-44.4174.3-75.1167000111.9C110 V117 A118 S144 V145 M148 L227 P250C110-L114 WeakPolarHBondContact O-CB 3.24Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 3.27Å; L114-V117 PolarHBondContact O-N 2.98Å; L114-A118 PolarHBondContact O-N 2.84Å; L114-S144 VanDerWaalsContact CD1-CB 3.44Å; L114-V145 HydrophobicContact CD1-CG2 4Å; L114-V145 HydrophobicContact CD2-CG2 3.96Å; L114-M148 HydrophobicContact CB-SD 4.42Å; L114-M148 HydrophobicContact CD2-SD 3.98Å; L114-L227 HydrophobicContact CD2-CD1 3.85Å; L114-L227 HydrophobicContact CD2-CD2 3.52Å; L114-L227 HydrophobicContact CD2-CG 4.35Å; L114-P250 HydrophobicContact CD2-CG 3.86Å; L114-P250 HydrophobicContact CG-CB 4.24Å; L114-P250 HydrophobicContact CG-CG 3.98Å
115K96.9Very high95.9Very high107 Ų10731 Ų3147%0.46518%0.183SC..Hα-helixtrans-62.9-42.9176.6-177.4-176.6171.1-168.70111.4T111 A112 A113 V117 A118 E119T111-K115 WeakPolarHBondContact O-CB 3.39Å; T111-K115 PolarHBondContact O-N 3.47Å; A112-K115 PolarHBondContact O-N 2.87Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 2.92Å; K115-V117 VanDerWaalsContact C-N 3.34Å; K115-V117 PolarHBondContact O-N 3.36Å; K115-A118 WeakPolarHBondContact O-CB 3.42Å; K115-A118 PolarHBondContact O-N 2.85Å; K115-A118 VanDerWaalsContact O-N 3.15Å; K115-E119 VanDerWaalsContact CE-CD 3.45Å; K115-E119 WeakPolarHBondContact CE-OE1 3.17Å; K115-E119 WeakPolarHBondContact CE-OE2 3.5Å; K115-E119 HydrophobicContact CG-CG 4.35Å; K115-E119 IonicContact NZ-OE1 3.65Å; K115-E119 WeakPolarHBondContact O-CB 3.33Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.34Å
116L97.1Very high94.7Very high22 Ų2233.5 Ų33.512%0.11521%0.209CC..Hα-helixtrans-57.6-46177.1179.766.4000111.5I105 T107 A112 A113 E119 S120 L266 F306I105-L116 HydrophobicContact CG2-CD2 4.02Å; T107-L116 HydrophobicContact CG2-CD2 4.45Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 PolarHBondContact O-N 2.77Å; A113-L116 WeakPolarHBondContact O-CB 3.14Å; A113-L116 PolarHBondContact O-N 3.44Å; L116-E119 PolarHBondContact O-N 3.17Å; L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 2.84Å; L116-S120 PolarHBondContact O-OG 2.81Å; L116-L266 HydrophobicContact CD2-CD2 3.98Å; L116-F306 HydrophobicContact CD1-CD1 3.98Å; L116-F306 HydrophobicContact CD2-CB 4.03Å; L116-F306 HydrophobicContact CD2-CD1 4.32Å; L116-F306 HydrophobicContact CD2-CG 4.36Å; L116-F306 HydrophobicContact CG-CD1 4.39Å
117V97.8Very high92.8Very high0 Ų036 Ų360%023%0.232CC..Hα-helixtrans-62.3-47.8174.41770000110.2A113 L114 K115 E119 S120 F121 M148 L187 L227 F248 L266 L276A113-V117 PolarHBondContact O-N 2.79Å; A113-V117 VanDerWaalsContact O-N 3.08Å; L114-V117 PolarHBondContact O-N 2.98Å; K115-V117 VanDerWaalsContact C-N 3.34Å; K115-V117 PolarHBondContact O-N 3.36Å; V117-E119 PolarHBondContact O-N 3.37Å; V117-S120 PolarHBondContact O-N 3.02Å; V117-F121 WeakPolarHBondContact O-CB 3.22Å; V117-F121 PolarHBondContact O-N 3.26Å; V117-M148 HydrophobicContact CG1-CE 4.39Å; V117-L187 HydrophobicContact CG1-CD2 3.89Å; V117-L227 HydrophobicContact CB-CD1 4.11Å; V117-L227 HydrophobicContact CG1-CD1 4Å; V117-L227 HydrophobicContact CG2-CD1 4.02Å; V117-F248 HydrophobicContact CG1-CD2 4.3Å; V117-F248 HydrophobicContact CG2-CB 4.35Å; V117-F248 HydrophobicContact CG2-CD1 4.37Å; V117-F248 HydrophobicContact CG2-CG 4.26Å; V117-L266 HydrophobicContact CG2-CD1 3.84Å; V117-L266 HydrophobicContact CG2-CD2 3.58Å; V117-L266 HydrophobicContact CG2-CG 4.38Å; V117-L276 HydrophobicContact CG1-CD2 4.4Å
118A96.1Very high90.6Very high3 Ų345.5 Ų45.53%0.02527%0.272CS..Hα-helixtrans-59.2-33.3179.400000113.5L114 K115 W123 M148 R151L114-A118 PolarHBondContact O-N 2.84Å; K115-A118 WeakPolarHBondContact O-CB 3.42Å; K115-A118 PolarHBondContact O-N 2.85Å; K115-A118 VanDerWaalsContact O-N 3.15Å; A118-W123 PolarHBondContact O-NE1 3.48Å; A118-M148 HydrophobicContact CB-CB 4.03Å; A118-M148 HydrophobicContact CB-CE 3.74Å; A118-M148 HydrophobicContact CB-CG 3.92Å; A118-R151 HydrophobicContact CB-CB 4.31Å; A118-R151 HydrophobicContact CB-CG 4.41Å
119E94.8Very high88.3Confident79 Ų7953.1 Ų53.137%0.36929%0.287SS..Hα-helixtrans-86-26-179.3-71.4176166.100113.2K115 L116 V117 R151K115-E119 VanDerWaalsContact CE-CD 3.45Å; K115-E119 WeakPolarHBondContact CE-OE1 3.17Å; K115-E119 WeakPolarHBondContact CE-OE2 3.5Å; K115-E119 HydrophobicContact CG-CG 4.35Å; K115-E119 IonicContact NZ-OE1 3.65Å; K115-E119 WeakPolarHBondContact O-CB 3.33Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.34Å; L116-E119 PolarHBondContact O-N 3.17Å; V117-E119 PolarHBondContact O-N 3.37Å; E119-R151 HydrophobicContact CG-CG 4.49Å; E119-R151 IonicContact OE1-CZ 2.73Å; E119-R151 VanDerWaalsContact OE1-CZ 3.22Å; E119-R151 IonicContact OE1-NE 3.97Å; E119-R151 PolarHBondContact OE1-NE 3.16Å; E119-R151 IonicContact OE1-NH2 3.64Å; E119-R151 PolarHBondContact OE1-NH2 3.13Å
120S95.5Very high86.4Confident2 Ų259.7 Ų59.71%0.01432%0.316CS..Hα-helixtrans-101.9-14.7-176.1-49.10000113.4L116 V117 L276 K277L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 2.84Å; L116-S120 PolarHBondContact O-OG 2.81Å; V117-S120 PolarHBondContact O-N 3.02Å; S120-L276 CarbonylContact O-C 3.59Å; S120-L276 WeakPolarHBondContact O-CA 3.39Å; S120-K277 PolarHBondContact O-N 3.32Å
121F96.5Very high85Confident6 Ų661.9 Ų61.93%0.02633%0.334CS..SBendtrans-69.9137.7178.9-162.9-92.9000110.6V117 W123 P185 L187 F225 F248 I275 L276V117-F121 WeakPolarHBondContact O-CB 3.22Å; V117-F121 PolarHBondContact O-N 3.26Å; F121-W123 VanDerWaalsContact C-N 3.26Å; F121-W123 HydrophobicContact CB-CD2 4.42Å; F121-W123 HydrophobicContact CB-CH2 4.49Å; F121-W123 HydrophobicContact CB-CZ2 3.79Å; F121-W123 AromaticContact CD1-CD2 3.76Å; F121-W123 HydrophobicContact CD1-CD2 3.76Å; F121-W123 AromaticContact CD1-CE2 3.8Å; F121-W123 AromaticContact CD1-CE3 3.67Å; F121-W123 HydrophobicContact CD1-CE3 3.67Å; F121-W123 AromaticContact CD1-CH2 3.72Å; F121-W123 HydrophobicContact CD1-CH2 3.72Å; F121-W123 AromaticContact CD1-CZ2 3.8Å; F121-W123 HydrophobicContact CD1-CZ2 3.8Å; F121-W123 AromaticContact CD1-CZ3 3.65Å; F121-W123 HydrophobicContact CD1-CZ3 3.65Å; F121-W123 HydrophobicContact CE1-CE3 4.12Å; F121-W123 HydrophobicContact CE1-CH2 4.22Å; F121-W123 AromaticContact CE1-CZ3 3.9Å; F121-W123 HydrophobicContact CE1-CZ3 3.9Å; F121-W123 HydrophobicContact CG-CH2 4.25Å; F121-W123 HydrophobicContact CG-CZ2 4.03Å; F121-W123 PolarHBondContact O-N 2.82Å; F121-W123 PolarHBondContact O-NE1 3.02Å; F121-P185 HydrophobicContact CE1-CB 3.87Å; F121-P185 HydrophobicContact CE1-CG 4.33Å; F121-P185 HydrophobicContact CZ-CB 3.8Å; F121-L187 HydrophobicContact CE1-CB 4.25Å; F121-L187 HydrophobicContact CE2-CB 4.35Å; F121-L187 HydrophobicContact CE2-CD1 4.18Å; F121-L187 HydrophobicContact CZ-CB 4.06Å; F121-F225 HydrophobicContact CE2-CB 4.15Å; F121-F225 AromaticContact CE2-CD2 3.95Å; F121-F225 HydrophobicContact CE2-CD2 3.95Å; F121-F225 HydrophobicContact CE2-CG 4.08Å; F121-F225 HydrophobicContact CZ-CB 4.43Å; F121-F225 AromaticContact CZ-CD2 3.8Å; F121-F225 HydrophobicContact CZ-CD2 3.8Å; F121-F225 HydrophobicContact CZ-CE2 4.43Å; F121-F225 HydrophobicContact CZ-CG 4.33Å; F121-F248 HydrophobicContact CD2-CE2 4.34Å; F121-F248 HydrophobicContact CE2-CE2 4.19Å; F121-I275 HydrophobicContact CD2-CG2 4.33Å; F121-I275 HydrophobicContact CE2-CG1 4.45Å; F121-I275 HydrophobicContact CE2-CG2 4.24Å; F121-L276 HydrophobicContact CB-CD2 4.47Å; F121-L276 HydrophobicContact CD2-CD2 4.27Å
122P93.9Very high84.5Confident46 Ų4658.6 Ų58.630%0.29932%0.317SS..  trans-84.271.4-17133.5-33000110.7S124 P185 I275P122-S124 PolarHBondContact O-N 3.3Å; P122-P185 HydrophobicContact CG-CG 4.01Å; P122-P185 WeakPolarHBondContact O-CG 3.47Å; P122-I275 VanDerWaalsContact CD-O 3.23Å; P122-I275 WeakPolarHBondContact CD-O 3.48Å; P122-I275 HydrophobicContact CG-CD1 3.8Å; P122-I275 HydrophobicContact CG-CG1 3.67Å; P122-I275 WeakPolarHBondContact CG-O 3.46Å
123W93.3Very high84.3Confident29 Ų2957.4 Ų57.411%0.1131%0.307CS..  trans-59.9128.8177.5-61.2115.1000112.2A118 F121 F135 T152 L155 V157 L187A118-W123 PolarHBondContact O-NE1 3.48Å; F121-W123 VanDerWaalsContact C-N 3.26Å; F121-W123 HydrophobicContact CB-CD2 4.42Å; F121-W123 HydrophobicContact CB-CH2 4.49Å; F121-W123 HydrophobicContact CB-CZ2 3.79Å; F121-W123 AromaticContact CD1-CD2 3.76Å; F121-W123 HydrophobicContact CD1-CD2 3.76Å; F121-W123 AromaticContact CD1-CE2 3.8Å; F121-W123 AromaticContact CD1-CE3 3.67Å; F121-W123 HydrophobicContact CD1-CE3 3.67Å; F121-W123 AromaticContact CD1-CH2 3.72Å; F121-W123 HydrophobicContact CD1-CH2 3.72Å; F121-W123 AromaticContact CD1-CZ2 3.8Å; F121-W123 HydrophobicContact CD1-CZ2 3.8Å; F121-W123 AromaticContact CD1-CZ3 3.65Å; F121-W123 HydrophobicContact CD1-CZ3 3.65Å; F121-W123 HydrophobicContact CE1-CE3 4.12Å; F121-W123 HydrophobicContact CE1-CH2 4.22Å; F121-W123 AromaticContact CE1-CZ3 3.9Å; F121-W123 HydrophobicContact CE1-CZ3 3.9Å; F121-W123 HydrophobicContact CG-CH2 4.25Å; F121-W123 HydrophobicContact CG-CZ2 4.03Å; F121-W123 PolarHBondContact O-N 2.82Å; F121-W123 PolarHBondContact O-NE1 3.02Å; W123-F135 HydrophobicContact CH2-CB 3.97Å; W123-F135 AromaticContact CH2-CD2 3.9Å; W123-F135 HydrophobicContact CH2-CD2 3.9Å; W123-F135 HydrophobicContact CH2-CG 4.27Å; W123-F135 HydrophobicContact CZ3-CB 3.95Å; W123-T152 HydrophobicContact CD2-CG2 3.96Å; W123-T152 HydrophobicContact CE3-CG2 4.24Å; W123-T152 HydrophobicContact CH2-CG2 3.85Å; W123-T152 HydrophobicContact CZ2-CG2 3.53Å; W123-T152 HydrophobicContact CZ3-CG2 4.2Å; W123-L155 HydrophobicContact CB-CD1 3.79Å; W123-L155 HydrophobicContact CG-CD1 3.92Å; W123-V157 HydrophobicContact CB-CG2 3.69Å; W123-V157 HydrophobicContact CD2-CG2 4.29Å; W123-V157 HydrophobicContact CE3-CG1 3.92Å; W123-V157 HydrophobicContact CE3-CG2 4.06Å; W123-V157 HydrophobicContact CG-CG2 4.16Å; W123-V157 HydrophobicContact CZ3-CG1 4.26Å; W123-L187 HydrophobicContact CH2-CB 3.76Å; W123-L187 HydrophobicContact CH2-CD2 3.87Å; W123-L187 HydrophobicContact CH2-CG 4.48Å; W123-L187 HydrophobicContact CZ2-CD2 4.24Å; W123-L187 HydrophobicContact CZ3-CB 4.2Å
124S88.8Confident84.1Confident33 Ų3359.6 Ų59.623%0.23132%0.317CS..  trans-106.3131.5170.966.50000111.9P122 G132 S133 T184P122-S124 PolarHBondContact O-N 3.3Å; S124-G132 CarbonylContact O-C 3.52Å; S124-G132 WeakPolarHBondContact O-CA 3.34Å; S124-S133 PolarHBondContact N-OG 2.9Å; S124-S133 PolarHBondContact O-N 2.83Å; S124-S133 PolarHBondContact OG-N 3.18Å; S124-S133 VanDerWaalsContact OG-N 3.09Å; S124-S133 PolarHBondContact OG-OG 3.39Å; S124-T184 WeakPolarHBondContact OG-CG2 3.49Å
125S83.6Confident84.1Confident73 Ų7359.6 Ų59.651%0.5132%0.317SS..  trans-77.8135.517066.80000109.8A127 L155S125-A127 PolarHBondContact O-N 2.9Å; S125-L155 WeakPolarHBondContact CB-O 3.39Å
126G72.3Confident84.2Confident53 Ų5354.5 Ų54.555%0.54629%0.294SS..  trans-68.292.4174.800000111.7
127A59.4Low84.2Confident66 Ų6653.9 Ų53.955%0.54529%0.291SS..  trans-84.1161.2168.300000110.3S125 R129 E130S125-A127 PolarHBondContact O-N 2.9Å; A127-R129 PolarHBondContact O-N 2.82Å; A127-E130 PolarHBondContact O-N 2.88Å
128K50.7Low84.2Confident221 Ų22153.9 Ų53.996%0.96129%0.291SS*.THydrogen-bonded Turntrans-49.4-2.4-166.1-69.5179.9176.5177.30118.6
129R49Very low84.3Confident247 Ų24756 Ų5693%0.93230%0.303SS*.THydrogen-bonded Turntrans-134.9-3.3177.3-70.8-175.3175.3174.7-2.1115.6A127A127-R129 PolarHBondContact O-N 2.82Å
130E57.8Low84.4Confident148 Ų14852.5 Ų52.569%0.69229%0.287SS*.SBendtrans-130.3141.7179.9-71.9-179.4-178.100111.8A127 G132A127-E130 PolarHBondContact O-N 2.88Å; E130-G132 PolarHBondContact O-N 3.16Å
131A68.9Low84.5Confident53 Ų5352.5 Ų52.544%0.43829%0.287SS..PPolyproline II helixtrans-71.8124.3171.900000109.6T184A131-T184 WeakPolarHBondContact O-CG2 3.45Å; A131-T184 PolarHBondContact O-OG1 3.17Å
132G87.4Confident84.5Confident15 Ų1554.2 Ų54.216%0.15530%0.295CS..PPolyproline II helixtrans-72.1166.8177.800000113.3S124 E130 H186S124-G132 CarbonylContact O-C 3.52Å; S124-G132 WeakPolarHBondContact O-CA 3.34Å; E130-G132 PolarHBondContact O-N 3.16Å; G132-H186 PolarHBondContact O-CE1 2.98Å
133S93.8Very high84.6Confident1 Ų155 Ų551%0.00730%0.299CS..PPolyproline II helixtrans-61.9150.6173.7-68.90000111.9S124 V157 P185S124-S133 PolarHBondContact N-OG 2.9Å; S124-S133 PolarHBondContact O-N 2.83Å; S124-S133 PolarHBondContact OG-N 3.18Å; S124-S133 VanDerWaalsContact OG-N 3.09Å; S124-S133 PolarHBondContact OG-OG 3.39Å; S133-V157 WeakPolarHBondContact O-CG1 3.31Å; S133-P185 VanDerWaalsContact CB-O 3.31Å; S133-P185 WeakPolarHBondContact CB-O 3.49Å; S133-P185 PolarHBondContact OG-O 2.81Å
134F95.3Very high84.7Confident47 Ų4754.6 Ų54.621%0.20630%0.301CS..EExtended strand (participates in β ladder)trans-112.3135.6166.9-70.4-87.7000110.6V158 H186 L187 L220 W224F134-V158 HydrophobicContact CD1-CB 3.77Å; F134-V158 HydrophobicContact CD1-CG1 3.92Å; F134-V158 HydrophobicContact CE1-CB 3.8Å; F134-V158 HydrophobicContact CE1-CG1 3.85Å; F134-V158 HydrophobicContact CE1-CG2 4.28Å; F134-H186 AromaticContact CD2-CE1 3.66Å; F134-H186 AromaticContact CD2-NE2 3.87Å; F134-H186 PolarHBondContact N-ND1 2.8Å; F134-H186 VanDerWaalsContact N-ND1 3.11Å; F134-L187 PolarHBondContact O-N 2.95Å; F134-L187 VanDerWaalsContact O-N 3.09Å; F134-L220 HydrophobicContact CD1-CD1 4.15Å; F134-L220 HydrophobicContact CD2-CD1 3.98Å; F134-L220 HydrophobicContact CE1-CD1 4.32Å; F134-L220 HydrophobicContact CE2-CD1 4.17Å; F134-L220 HydrophobicContact CE2-CD2 4.28Å; F134-L220 HydrophobicContact CG-CD1 3.98Å; F134-L220 HydrophobicContact CZ-CD1 4.33Å; F134-L220 HydrophobicContact CZ-CD2 4.26Å; F134-W224 HydrophobicContact CB-CH2 4.43Å
135F97.5Very high85.1Confident0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-105.8106.6165.1173-116.4000109.1W123 Y137 V145 M148 R149 T152 V157 V158 A159 L160 L187 C189W123-F135 HydrophobicContact CH2-CB 3.97Å; W123-F135 AromaticContact CH2-CD2 3.9Å; W123-F135 HydrophobicContact CH2-CD2 3.9Å; W123-F135 HydrophobicContact CH2-CG 4.27Å; W123-F135 HydrophobicContact CZ3-CB 3.95Å; F135-Y137 AromaticContact CD1-CD1 3.97Å; F135-Y137 HydrophobicContact CD1-CD1 3.97Å; F135-Y137 HydrophobicContact CD1-CE1 4.38Å; F135-Y137 AromaticContact CE1-CD1 3.51Å; F135-Y137 HydrophobicContact CE1-CD1 3.51Å; F135-Y137 HydrophobicContact CE1-CE1 4.05Å; F135-Y137 HydrophobicContact CE1-CG 4.25Å; F135-Y137 HydrophobicContact CZ-CD1 4.05Å; F135-Y137 HydrophobicContact CZ-CG 4.41Å; F135-V145 HydrophobicContact CZ-CG1 4.12Å; F135-V145 WeakPolarHBondContact CZ-O 3.34Å; F135-M148 HydrophobicContact CE1-CB 3.86Å; F135-M148 HydrophobicContact CE2-CB 4.14Å; F135-M148 HydrophobicContact CE2-CE 3.83Å; F135-M148 HydrophobicContact CE2-SD 3.85Å; F135-M148 HydrophobicContact CZ-CB 3.59Å; F135-M148 HydrophobicContact CZ-CE 4.32Å; F135-M148 HydrophobicContact CZ-CG 4.21Å; F135-M148 HydrophobicContact CZ-SD 3.79Å; F135-R149 HydrophobicContact CD1-CG 4.14Å; F135-R149 HydrophobicContact CE1-CG 3.91Å; F135-T152 HydrophobicContact CB-CG2 4.01Å; F135-T152 HydrophobicContact CD1-CG2 4.47Å; F135-T152 HydrophobicContact CG-CG2 4.17Å; F135-V157 HydrophobicContact CB-CG1 4.16Å; F135-V158 PolarHBondContact N-O 2.69Å; F135-A159 HydrophobicContact CD1-CB 4.13Å; F135-A159 CarbonylContact O-C 3.48Å; F135-A159 VanDerWaalsContact O-CA 3.25Å; F135-A159 WeakPolarHBondContact O-CA 3.4Å; F135-L160 PolarHBondContact O-N 2.68Å; F135-L187 HydrophobicContact CD2-CB 4.39Å; F135-L187 HydrophobicContact CD2-CD2 4.21Å; F135-L187 HydrophobicContact CE2-CD2 4.24Å; F135-C189 HydrophobicContact CE2-CB 4.41Å; F135-C189 VanDerWaalsContact CE2-SG 3.53Å
136C98Very high85.6Confident0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-109.2141.8-176.7-60.20000110.2L160 L187 F188 C189 P216 W224C136-L160 VanDerWaalsContact CA-O 3.29Å; C136-L160 WeakPolarHBondContact CA-O 3.38Å; C136-L187 PolarHBondContact N-O 2.96Å; C136-F188 HydrophobicContact CB-CD2 3.66Å; C136-F188 HydrophobicContact CB-CE2 4.41Å; C136-F188 CarbonylContact O-C 3.42Å; C136-F188 VanDerWaalsContact O-CA 3.32Å; C136-F188 WeakPolarHBondContact O-CA 3.46Å; C136-C189 PolarHBondContact O-N 2.58Å; C136-P216 HydrophobicContact CB-CG 3.72Å; C136-P216 VanDerWaalsContact SG-CG 3.5Å; C136-W224 HydrophobicContact CB-CH2 4.5Å; C136-W224 HydrophobicContact CB-CZ3 4.14Å
137Y98.3Very high86.7Confident9 Ų951.4 Ų51.44%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-151148.5178.261.5-79.2000112F135 V145 V146 R149 L160 P161 V162 C189F135-Y137 AromaticContact CD1-CD1 3.97Å; F135-Y137 HydrophobicContact CD1-CD1 3.97Å; F135-Y137 HydrophobicContact CD1-CE1 4.38Å; F135-Y137 AromaticContact CE1-CD1 3.51Å; F135-Y137 HydrophobicContact CE1-CD1 3.51Å; F135-Y137 HydrophobicContact CE1-CE1 4.05Å; F135-Y137 HydrophobicContact CE1-CG 4.25Å; F135-Y137 HydrophobicContact CZ-CD1 4.05Å; F135-Y137 HydrophobicContact CZ-CG 4.41Å; Y137-V145 HydrophobicContact CG-CG1 4.3Å; Y137-V146 HydrophobicContact CD2-CG2 4.4Å; Y137-V146 HydrophobicContact CE2-CG2 4.02Å; Y137-R149 HydrophobicContact CE1-CG 3.97Å; Y137-R149 VanDerWaalsContact OH-CD 3.27Å; Y137-R149 WeakPolarHBondContact OH-CD 3.36Å; Y137-R149 PolarHBondContact OH-NH1 3.36Å; Y137-L160 PolarHBondContact N-O 2.81Å; Y137-L160 VanDerWaalsContact N-O 3.15Å; Y137-P161 HydrophobicContact CE1-CB 4.39Å; Y137-P161 HydrophobicContact CE2-CB 4.18Å; Y137-V162 PolarHBondContact O-N 2.93Å; Y137-C189 CarbonylContact C-O 3.31Å; Y137-C189 WeakPolarHBondContact CA-O 3.21Å
138L98.1Very high88.4Confident0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-66.2139.9172.3-72.5-167.7000111.1D140 S141 V162 L167 F188 C189 Y190 Y201L138-D140 PolarHBondContact O-N 2.98Å; L138-S141 WeakPolarHBondContact O-CB 3.39Å; L138-S141 PolarHBondContact O-N 2.73Å; L138-S141 PolarHBondContact O-OG 3.02Å; L138-V162 CarbonylContact C-O 3.57Å; L138-V162 VanDerWaalsContact CA-O 3.29Å; L138-V162 WeakPolarHBondContact CA-O 3.2Å; L138-V162 HydrophobicContact CD2-CB 4.13Å; L138-V162 HydrophobicContact CD2-CG1 3.98Å; L138-L167 HydrophobicContact CD1-CD2 4.42Å; L138-L167 HydrophobicContact CD2-CB 4.49Å; L138-L167 HydrophobicContact CD2-CD2 4.32Å; L138-F188 HydrophobicContact CD2-CZ 3.95Å; L138-F188 HydrophobicContact CG-CZ 4.08Å; L138-C189 PolarHBondContact N-O 3.22Å; L138-Y190 HydrophobicContact CD1-CD2 4.47Å; L138-Y190 HydrophobicContact CD1-CG 4.49Å; L138-Y201 HydrophobicContact CD1-CD1 3.92Å; L138-Y201 HydrophobicContact CD1-CE1 3.7Å; L138-Y201 HydrophobicContact CD1-CG 4.43Å
139T97.1Very high90.5Very high47 Ų4743.3 Ų43.329%0.28823%0.225SC..THydrogen-bonded Turntrans-63.7-21.9177.353.10000113.2S141 P161 V162 P164 G418T139-S141 PolarHBondContact O-N 3.38Å; T139-P161 HydrophobicContact CG2-CB 3.84Å; T139-V162 PolarHBondContact N-O 3Å; T139-P164 WeakPolarHBondContact OG1-CD 3.43Å; T139-G418 VanDerWaalsContact O-CA 3.27Å; T139-G418 WeakPolarHBondContact O-CA 3.18Å
140D97Very high92.4Very high7 Ų734.3 Ų34.34%0.03721%0.209CC..THydrogen-bonded Turntrans-81.226.4171.1-171.611.3000112.9L138 P164 P191 S194 Y201 N416 A419L138-D140 PolarHBondContact O-N 2.98Å; D140-P164 HydrophobicContact CB-CG 4.2Å; D140-P191 WeakPolarHBondContact O-CG 2.96Å; D140-S194 WeakPolarHBondContact OD1-CB 3.19Å; D140-S194 PolarHBondContact OD1-OG 3.42Å; D140-S194 VanDerWaalsContact OD2-CB 3.24Å; D140-S194 WeakPolarHBondContact OD2-CB 3.24Å; D140-S194 PolarHBondContact OD2-OG 3.49Å; D140-Y201 WeakPolarHBondContact CB-OH 3.14Å; D140-Y201 WeakPolarHBondContact OD2-CE2 3.15Å; D140-Y201 PolarHBondContact OD2-OH 3.13Å; D140-N416 PolarHBondContact O-ND2 3.32Å; D140-N416 VanDerWaalsContact O-ND2 3.11Å; D140-N416 PolarHBondContact OD1-ND2 3.31Å; D140-A419 HydrophobicContact CB-CB 4.47Å; D140-A419 VanDerWaalsContact OD1-CB 3.28Å; D140-A419 WeakPolarHBondContact OD1-CB 3.5Å
141S97.6Very high93.8Very high2 Ų233.1 Ų33.11%0.01420%0.198CC..  trans-90.6149178.1-59.70000112.1L138 T139L138-S141 WeakPolarHBondContact O-CB 3.39Å; L138-S141 PolarHBondContact O-N 2.73Å; L138-S141 PolarHBondContact O-OG 3.02Å; T139-S141 PolarHBondContact O-N 3.38Å
142H97.3Very high94.8Very high41 Ų4130.6 Ų30.619%0.1918%0.177CC..  trans-59.5150.7171.3-173.3-99.4000111.4S144 V145 V146 C415H142-S144 PolarHBondContact CE1-OG 3.49Å; H142-S144 PolarHBondContact ND1-N 2.71Å; H142-S144 PolarHBondContact ND1-OG 3.38Å; H142-S144 VanDerWaalsContact ND1-OG 3.09Å; H142-S144 PolarHBondContact O-N 3.12Å; H142-V145 WeakPolarHBondContact O-CB 3.02Å; H142-V145 PolarHBondContact O-N 3.02Å; H142-V146 PolarHBondContact O-N 2.91Å; H142-C415 CarbonylContact C-O 3.49Å; H142-C415 VanDerWaalsContact NE2-CB 3.25Å; H142-C415 WeakPolarHBondContact NE2-CB 3.46Å
143T94.6Very high94.9Very high62 Ų6233 Ų3338%0.3820%0.196SC..Hα-helixtrans-54.9-29.1-177-620000112.4V145 V146 G147 C415T143-V145 VanDerWaalsContact C-N 3.33Å; T143-V145 PolarHBondContact O-N 3.03Å; T143-V146 CarbonylContact O-C 3.59Å; T143-V146 PolarHBondContact O-N 3.3Å; T143-G147 PolarHBondContact O-N 3.27Å; T143-C415 WeakPolarHBondContact CB-O 3.22Å; T143-C415 PolarHBondContact N-O 3.38Å; T143-C415 WeakPolarHBondContact OG1-CA 3.49Å; T143-C415 PolarHBondContact OG1-O 3.44Å
144S96.2Very high94.5Very high22 Ų2237 Ų3715%0.15423%0.229CC..Hα-helixtrans-62.2-36175-56.10000113.5T111 L114 H142 G147T111-S144 PolarHBondContact OG1-OG 3.17Å; L114-S144 VanDerWaalsContact CD1-CB 3.44Å; H142-S144 PolarHBondContact CE1-OG 3.49Å; H142-S144 PolarHBondContact ND1-N 2.71Å; H142-S144 PolarHBondContact ND1-OG 3.38Å; H142-S144 VanDerWaalsContact ND1-OG 3.09Å; H142-S144 PolarHBondContact O-N 3.12Å; S144-G147 PolarHBondContact O-N 3.12Å
145V97.4Very high94.2Very high0 Ų039.2 Ų39.20%024%0.243CC..Hα-helixtrans-69.4-45.1172.8176.70000109.7L114 F135 Y137 H142 T143 G147 M148 C189 D229L114-V145 HydrophobicContact CD1-CG2 4Å; L114-V145 HydrophobicContact CD2-CG2 3.96Å; F135-V145 HydrophobicContact CZ-CG1 4.12Å; F135-V145 WeakPolarHBondContact CZ-O 3.34Å; Y137-V145 HydrophobicContact CG-CG1 4.3Å; H142-V145 WeakPolarHBondContact O-CB 3.02Å; H142-V145 PolarHBondContact O-N 3.02Å; T143-V145 VanDerWaalsContact C-N 3.33Å; T143-V145 PolarHBondContact O-N 3.03Å; V145-G147 PolarHBondContact O-N 2.97Å; V145-M148 VanDerWaalsContact O-CB 3.28Å; V145-M148 WeakPolarHBondContact O-CB 3.41Å; V145-M148 WeakPolarHBondContact O-CG 3.19Å; V145-M148 PolarHBondContact O-N 3.11Å; V145-M148 VanDerWaalsContact O-N 3.08Å; V145-C189 HydrophobicContact CG1-CB 3.59Å; V145-D229 HydrophobicContact CG2-CB 4.4Å
146V94.7Very high93.7Very high45 Ų4541.7 Ų41.727%0.27327%0.268SS..Hα-helixtrans-59.8-34.8176.4-1740000111.2Y137 H142 T143 M148 R149Y137-V146 HydrophobicContact CD2-CG2 4.4Å; Y137-V146 HydrophobicContact CE2-CG2 4.02Å; H142-V146 PolarHBondContact O-N 2.91Å; T143-V146 CarbonylContact O-C 3.59Å; T143-V146 PolarHBondContact O-N 3.3Å; V146-M148 PolarHBondContact O-N 2.93Å; V146-R149 WeakPolarHBondContact O-CB 3.3Å; V146-R149 VanDerWaalsContact O-CD 3.23Å; V146-R149 WeakPolarHBondContact O-CD 3.1Å; V146-R149 WeakPolarHBondContact O-CG 3.28Å; V146-R149 PolarHBondContact O-N 3.21Å; V146-R149 VanDerWaalsContact O-N 3.11Å
147G94.5Very high93.4Very high47 Ų4742.1 Ų42.149%0.48527%0.271SS..Hα-helixtrans-61.7-25.9177.600000114T143 S144 V145 R149 G150T143-G147 PolarHBondContact O-N 3.27Å; S144-G147 PolarHBondContact O-N 3.12Å; V145-G147 PolarHBondContact O-N 2.97Å; G147-R149 PolarHBondContact O-N 3.29Å; G147-R149 VanDerWaalsContact O-N 3.15Å; G147-G150 PolarHBondContact O-N 2.95Å
148M95.7Very high93.1Very high5 Ų545.5 Ų45.53%0.02529%0.292CS..Hα-helixtrans-59.4-27.1175.1-58.4174.569.200111.7L114 V117 A118 F135 V145 V146 G150 R151 T152 L187L114-M148 HydrophobicContact CB-SD 4.42Å; L114-M148 HydrophobicContact CD2-SD 3.98Å; V117-M148 HydrophobicContact CG1-CE 4.39Å; A118-M148 HydrophobicContact CB-CB 4.03Å; A118-M148 HydrophobicContact CB-CE 3.74Å; A118-M148 HydrophobicContact CB-CG 3.92Å; F135-M148 HydrophobicContact CE1-CB 3.86Å; F135-M148 HydrophobicContact CE2-CB 4.14Å; F135-M148 HydrophobicContact CE2-CE 3.83Å; F135-M148 HydrophobicContact CE2-SD 3.85Å; F135-M148 HydrophobicContact CZ-CB 3.59Å; F135-M148 HydrophobicContact CZ-CE 4.32Å; F135-M148 HydrophobicContact CZ-CG 4.21Å; F135-M148 HydrophobicContact CZ-SD 3.79Å; V145-M148 VanDerWaalsContact O-CB 3.28Å; V145-M148 WeakPolarHBondContact O-CB 3.41Å; V145-M148 WeakPolarHBondContact O-CG 3.19Å; V145-M148 PolarHBondContact O-N 3.11Å; V145-M148 VanDerWaalsContact O-N 3.08Å; V146-M148 PolarHBondContact O-N 2.93Å; M148-G150 PolarHBondContact O-N 3.24Å; M148-R151 WeakPolarHBondContact O-CB 2.99Å; M148-R151 PolarHBondContact O-N 2.91Å; M148-T152 PolarHBondContact O-N 3.2Å; M148-L187 HydrophobicContact CE-CD2 3.75Å
149R93.6Very high93Very high112 Ų11247 Ų4742%0.42331%0.305SS..Hα-helixtrans-55.1-35.4173.9-62168.864.1-171.2-11113.2F135 Y137 V146 G147 R151 T152 A153 A159F135-R149 HydrophobicContact CD1-CG 4.14Å; F135-R149 HydrophobicContact CE1-CG 3.91Å; Y137-R149 HydrophobicContact CE1-CG 3.97Å; Y137-R149 VanDerWaalsContact OH-CD 3.27Å; Y137-R149 WeakPolarHBondContact OH-CD 3.36Å; Y137-R149 PolarHBondContact OH-NH1 3.36Å; V146-R149 WeakPolarHBondContact O-CB 3.3Å; V146-R149 VanDerWaalsContact O-CD 3.23Å; V146-R149 WeakPolarHBondContact O-CD 3.1Å; V146-R149 WeakPolarHBondContact O-CG 3.28Å; V146-R149 PolarHBondContact O-N 3.21Å; V146-R149 VanDerWaalsContact O-N 3.11Å; G147-R149 PolarHBondContact O-N 3.29Å; G147-R149 VanDerWaalsContact O-N 3.15Å; R149-R151 PolarHBondContact O-N 3.48Å; R149-T152 WeakPolarHBondContact CA-OG1 3.27Å; R149-T152 PolarHBondContact O-N 2.8Å; R149-T152 PolarHBondContact O-OG1 3.01Å; R149-A153 WeakPolarHBondContact O-CB 3.21Å; R149-A153 PolarHBondContact O-N 3.14Å; R149-A159 HydrophobicContact CB-CB 4.35Å; R149-A159 HydrophobicContact CG-CB 3.81Å
150G89.6Confident92.9Very high57 Ų5746.9 Ų46.959%0.58830%0.302SS*.Hα-helixtrans-64-33.4178.800000111.9G147 M148G147-G150 PolarHBondContact O-N 2.95Å; M148-G150 PolarHBondContact O-N 3.24Å
151R88.2Confident92.9Very high123 Ų12349.4 Ų49.446%0.46432%0.319SS..Hα-helixtrans-77.6-45.8175.3-67.7-55.9-163.8-164.75.6111.9A118 E119 M148 R149 A154A118-R151 HydrophobicContact CB-CB 4.31Å; A118-R151 HydrophobicContact CB-CG 4.41Å; E119-R151 HydrophobicContact CG-CG 4.49Å; E119-R151 IonicContact OE1-CZ 2.73Å; E119-R151 VanDerWaalsContact OE1-CZ 3.22Å; E119-R151 IonicContact OE1-NE 3.97Å; E119-R151 PolarHBondContact OE1-NE 3.16Å; E119-R151 IonicContact OE1-NH2 3.64Å; E119-R151 PolarHBondContact OE1-NH2 3.13Å; M148-R151 WeakPolarHBondContact O-CB 2.99Å; M148-R151 PolarHBondContact O-N 2.91Å; R149-R151 PolarHBondContact O-N 3.48Å; R151-A154 PolarHBondContact O-N 3.44Å
152T89.9Confident92.9Very high0 Ų049.3 Ų49.30%032%0.318CS..Hα-helixtrans-68.9-38.7-177.4620000112.1W123 F135 M148 R149 A154 L155 G156 V157W123-T152 HydrophobicContact CD2-CG2 3.96Å; W123-T152 HydrophobicContact CE3-CG2 4.24Å; W123-T152 HydrophobicContact CH2-CG2 3.85Å; W123-T152 HydrophobicContact CZ2-CG2 3.53Å; W123-T152 HydrophobicContact CZ3-CG2 4.2Å; F135-T152 HydrophobicContact CB-CG2 4.01Å; F135-T152 HydrophobicContact CD1-CG2 4.47Å; F135-T152 HydrophobicContact CG-CG2 4.17Å; M148-T152 PolarHBondContact O-N 3.2Å; R149-T152 WeakPolarHBondContact CA-OG1 3.27Å; R149-T152 PolarHBondContact O-N 2.8Å; R149-T152 PolarHBondContact O-OG1 3.01Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 3.37Å; T152-L155 PolarHBondContact O-N 2.79Å; T152-G156 PolarHBondContact O-N 3.45Å; T152-V157 HydrophobicContact CG2-CG1 4.33Å; T152-V157 WeakPolarHBondContact O-CB 3.5Å; T152-V157 PolarHBondContact O-N 2.76Å; T152-V157 VanDerWaalsContact O-N 3.13Å
153A88.3Confident92.8Very high65 Ų6548.6 Ų48.654%0.53732%0.32SS..Hα-helixtrans-61.7-36.2177.900000113.1R149 L155 G156R149-A153 WeakPolarHBondContact O-CB 3.21Å; R149-A153 PolarHBondContact O-N 3.14Å; A153-L155 PolarHBondContact O-N 2.77Å; A153-G156 PolarHBondContact O-N 2.93Å; A153-G156 VanDerWaalsContact O-N 3.07Å
154A86Confident92.8Very high87 Ų8746.5 Ų46.572%0.71931%0.307SS*.Hα-helixtrans-63.5-20.1176.200000113.1R151 T152R151-A154 PolarHBondContact O-N 3.44Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 3.37Å
155L88.3Confident92.6Very high92 Ų9250.1 Ų50.148%0.48232%0.321SS..THydrogen-bonded Turntrans-1018178.3-58.4173.3000112.6W123 S125 T152 A153 V157W123-L155 HydrophobicContact CB-CD1 3.79Å; W123-L155 HydrophobicContact CG-CD1 3.92Å; S125-L155 WeakPolarHBondContact CB-O 3.39Å; T152-L155 PolarHBondContact O-N 2.79Å; A153-L155 PolarHBondContact O-N 2.77Å; L155-V157 VanDerWaalsContact C-N 3.25Å; L155-V157 HydrophobicContact CB-CG2 4.43Å; L155-V157 PolarHBondContact O-N 3.13Å
156G88.2Confident92.5Very high52 Ų5253.4 Ų53.454%0.53634%0.337SS..THydrogen-bonded Turntrans70.417.8-177.800000114.5T152 A153T152-G156 PolarHBondContact O-N 3.45Å; A153-G156 PolarHBondContact O-N 2.93Å; A153-G156 VanDerWaalsContact O-N 3.07Å
157V92.1Very high92.5Very high10 Ų1051.3 Ų51.36%0.06132%0.324CS..PPolyproline II helixtrans-79.9139.6176.3165.80000110.9W123 S133 F135 T152 L155 A159W123-V157 HydrophobicContact CB-CG2 3.69Å; W123-V157 HydrophobicContact CD2-CG2 4.29Å; W123-V157 HydrophobicContact CE3-CG1 3.92Å; W123-V157 HydrophobicContact CE3-CG2 4.06Å; W123-V157 HydrophobicContact CG-CG2 4.16Å; W123-V157 HydrophobicContact CZ3-CG1 4.26Å; S133-V157 WeakPolarHBondContact O-CG1 3.31Å; F135-V157 HydrophobicContact CB-CG1 4.16Å; T152-V157 HydrophobicContact CG2-CG1 4.33Å; T152-V157 WeakPolarHBondContact O-CB 3.5Å; T152-V157 PolarHBondContact O-N 2.76Å; T152-V157 VanDerWaalsContact O-N 3.13Å; L155-V157 VanDerWaalsContact C-N 3.25Å; L155-V157 HydrophobicContact CB-CG2 4.43Å; L155-V157 PolarHBondContact O-N 3.13Å; V157-A159 PolarHBondContact O-N 2.9Å
158V91.9Very high92.4Very high80 Ų8052.6 Ų52.649%0.48532%0.323SS..EExtended strand (participates in β ladder)trans-79.4121.9176.3-179.70000109.7F134 F135F134-V158 HydrophobicContact CD1-CB 3.77Å; F134-V158 HydrophobicContact CD1-CG1 3.92Å; F134-V158 HydrophobicContact CE1-CB 3.8Å; F134-V158 HydrophobicContact CE1-CG1 3.85Å; F134-V158 HydrophobicContact CE1-CG2 4.28Å; F135-V158 PolarHBondContact N-O 2.69Å
159A94.8Very high92.3Very high32 Ų3257.5 Ų57.526%0.26435%0.353SS..EExtended strand (participates in β ladder)trans-95.4117171.100000111F135 R149 V157 P161F135-A159 HydrophobicContact CD1-CB 4.13Å; F135-A159 CarbonylContact O-C 3.48Å; F135-A159 VanDerWaalsContact O-CA 3.25Å; F135-A159 WeakPolarHBondContact O-CA 3.4Å; R149-A159 HydrophobicContact CB-CB 4.35Å; R149-A159 HydrophobicContact CG-CB 3.81Å; V157-A159 PolarHBondContact O-N 2.9Å; A159-P161 WeakPolarHBondContact O-CD 3.26Å
160L95.3Very high92.2Very high43 Ų4357 Ų5723%0.22535%0.351CS..EExtended strand (participates in β ladder)trans-110.7104.5-176.2-177.865.2000111.1F135 C136 Y137 V162 P216 L220F135-L160 PolarHBondContact O-N 2.68Å; C136-L160 VanDerWaalsContact CA-O 3.29Å; C136-L160 WeakPolarHBondContact CA-O 3.38Å; Y137-L160 PolarHBondContact N-O 2.81Å; Y137-L160 VanDerWaalsContact N-O 3.15Å; L160-V162 HydrophobicContact CG-CG2 4.35Å; L160-P216 HydrophobicContact CD2-CB 3.99Å; L160-P216 HydrophobicContact CD2-CG 4.32Å; L160-L220 HydrophobicContact CD2-CD1 4.49Å
161P96.3Very high92.2Very high60 Ų6056.3 Ų56.339%0.3934%0.339SS..EExtended strand (participates in β ladder)trans-68.9136.4167.727.7-30.5000110.3Y137 T139 A159Y137-P161 HydrophobicContact CE1-CB 4.39Å; Y137-P161 HydrophobicContact CE2-CB 4.18Å; T139-P161 HydrophobicContact CG2-CB 3.84Å; A159-P161 WeakPolarHBondContact O-CD 3.26Å
162V97.3Very high92.2Very high0 Ų054 Ų540%033%0.333CS..EExtended strand (participates in β ladder)trans-119.9125.7179.4177.50000109.1Y137 L138 T139 L160 E166 F188 Y215 P216Y137-V162 PolarHBondContact O-N 2.93Å; L138-V162 CarbonylContact C-O 3.57Å; L138-V162 VanDerWaalsContact CA-O 3.29Å; L138-V162 WeakPolarHBondContact CA-O 3.2Å; L138-V162 HydrophobicContact CD2-CB 4.13Å; L138-V162 HydrophobicContact CD2-CG1 3.98Å; T139-V162 PolarHBondContact N-O 3Å; L160-V162 HydrophobicContact CG-CG2 4.35Å; V162-E166 HydrophobicContact CG1-CB 4.15Å; V162-F188 HydrophobicContact CB-CE2 4.5Å; V162-F188 HydrophobicContact CG2-CE2 4.33Å; V162-Y215 HydrophobicContact CB-CE1 4.39Å; V162-Y215 HydrophobicContact CG1-CD1 3.69Å; V162-Y215 HydrophobicContact CG1-CE1 3.79Å; V162-Y215 HydrophobicContact CG2-CD1 4.34Å; V162-Y215 HydrophobicContact CG2-CE1 3.86Å; V162-P216 HydrophobicContact CG2-CG 4.21Å
163A95.8Very high91.4Very high27 Ų2761.9 Ų61.922%0.22338%0.375CS..  trans-70.9142.7174.200000110.2Q165 E166A163-Q165 PolarHBondContact O-N 3.32Å; A163-E166 HydrophobicContact CB-CG 4Å; A163-E166 PolarHBondContact N-OE2 2.99Å; A163-E166 WeakPolarHBondContact O-CB 3.29Å; A163-E166 PolarHBondContact O-N 3.39Å
164P94.6Very high90.3Very high17 Ų1769.2 Ų69.211%0.1139%0.389CS..THydrogen-bonded Turntrans-47.5-38.7178.9-35.138.8000115T139 D140 L167 Y201T139-P164 WeakPolarHBondContact OG1-CD 3.43Å; D140-P164 HydrophobicContact CB-CG 4.2Å; P164-L167 WeakPolarHBondContact O-CB 3.38Å; P164-Y201 HydrophobicContact CB-CE1 4.04Å; P164-Y201 HydrophobicContact CG-CE1 4.43Å; P164-Y201 WeakPolarHBondContact CG-OH 3.36Å
165Q92.9Very high89.1Confident99 Ų9969 Ų6946%0.46338%0.378SS..THydrogen-bonded Turntrans-73.4-31.8-179.5-58.680.8500112.5A163 L167 T168 T169A163-Q165 PolarHBondContact O-N 3.32Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.88Å; Q165-T168 PolarHBondContact O-OG1 3.03Å; Q165-T169 WeakPolarHBondContact O-CB 3.13Å; Q165-T169 VanDerWaalsContact O-CG2 3.23Å; Q165-T169 WeakPolarHBondContact O-CG2 3.17Å; Q165-T169 PolarHBondContact O-N 2.91Å; Q165-T169 PolarHBondContact O-OG1 2.97Å
166E95Very high87.6Confident69 Ų6968.5 Ų68.532%0.32237%0.374SS..Hα-helixtrans-65.5-33.1179.9-70.1177.9144.500112.6V162 A163 T168 T169 R170 Y215V162-E166 HydrophobicContact CG1-CB 4.15Å; A163-E166 HydrophobicContact CB-CG 4Å; A163-E166 PolarHBondContact N-OE2 2.99Å; A163-E166 WeakPolarHBondContact O-CB 3.29Å; A163-E166 PolarHBondContact O-N 3.39Å; E166-T168 PolarHBondContact O-N 3.42Å; E166-T169 VanDerWaalsContact CA-OG1 3.31Å; E166-T169 WeakPolarHBondContact CA-OG1 3.41Å; E166-R170 WeakPolarHBondContact O-CB 3.36Å; E166-R170 PolarHBondContact O-N 2.83Å; E166-R170 VanDerWaalsContact O-N 3.13Å; E166-Y215 HydrophobicContact CB-CD1 4.08Å; E166-Y215 HydrophobicContact CB-CE1 4.31Å
167L94.3Very high86Confident1 Ų168.9 Ų68.91%0.00538%0.377CS..Hα-helixtrans-50.7-43.2-179.8-178.760000112.4L138 P164 Q165 F188 H205 I209 L214 Y215L138-L167 HydrophobicContact CD1-CD2 4.42Å; L138-L167 HydrophobicContact CD2-CB 4.49Å; L138-L167 HydrophobicContact CD2-CD2 4.32Å; P164-L167 WeakPolarHBondContact O-CB 3.38Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.88Å; L167-F188 HydrophobicContact CD1-CE1 4.29Å; L167-F188 HydrophobicContact CD1-CZ 3.81Å; L167-F188 HydrophobicContact CD2-CZ 4.49Å; L167-H205 VanDerWaalsContact CD2-ND1 3.3Å; L167-H205 WeakPolarHBondContact CD2-ND1 3.39Å; L167-I209 HydrophobicContact CD1-CD1 3.88Å; L167-L214 HydrophobicContact CD1-CB 3.95Å; L167-L214 HydrophobicContact CD1-CD1 4.34Å; L167-L214 HydrophobicContact CG-CD1 4.47Å; L167-Y215 WeakPolarHBondContact CD1-O 3.44Å; L167-Y215 PolarHBondContact O-N 3.46Å
168T92.5Very high84.2Confident74 Ų7477.1 Ų77.145%0.45442%0.415SS..Hα-helixtrans-101.3-38.5-177.953.90000112.9Q165 E166 R170 A171Q165-T168 PolarHBondContact O-OG1 3.03Å; E166-T168 PolarHBondContact O-N 3.42Å; T168-R170 PolarHBondContact O-N 2.87Å; T168-A171 WeakPolarHBondContact O-CB 3.29Å; T168-A171 PolarHBondContact O-N 3.46Å
169T93.7Very high82.3Confident107 Ų10777.4 Ų77.466%0.65641%0.414SS*.Hα-helixtrans-64.3-25.3-179.752.50000113.5Q165 E166Q165-T169 WeakPolarHBondContact O-CB 3.13Å; Q165-T169 VanDerWaalsContact O-CG2 3.23Å; Q165-T169 WeakPolarHBondContact O-CG2 3.17Å; Q165-T169 PolarHBondContact O-N 2.91Å; Q165-T169 PolarHBondContact O-OG1 2.97Å; E166-T169 VanDerWaalsContact CA-OG1 3.31Å; E166-T169 WeakPolarHBondContact CA-OG1 3.41Å
170R92.1Very high80.3Confident102 Ų10280 Ų8039%0.38544%0.435SS..THydrogen-bonded Turntrans-102.411.8174.1-6217761.8169.41.3113E166 T168 Y215 C218 D219E166-R170 WeakPolarHBondContact O-CB 3.36Å; E166-R170 PolarHBondContact O-N 2.83Å; E166-R170 VanDerWaalsContact O-N 3.13Å; T168-R170 PolarHBondContact O-N 2.87Å; R170-Y215 HydrophobicContact CB-CD2 4.13Å; R170-Y215 HydrophobicContact CB-CG 3.96Å; R170-Y215 VanDerWaalsContact NH1-CZ 3.29Å; R170-Y215 PolarHBondContact NH1-OH 2.9Å; R170-C218 PolarHBondContact O-SG 3.26Å; R170-D219 IonicContact CZ-OD2 3.49Å; R170-D219 IonicContact NE-OD2 3.6Å; R170-D219 IonicContact NH2-OD2 2.68Å; R170-D219 PolarHBondContact NH2-OD2 3.1Å
171A89.8Confident78.6Confident42 Ų4282.6 Ų82.635%0.34746%0.457SS..  trans-61.1152.3174.500000110.7T168 R213 L214T168-A171 WeakPolarHBondContact O-CB 3.29Å; T168-A171 PolarHBondContact O-N 3.46Å; A171-R213 VanDerWaalsContact CA-O 3.32Å; A171-R213 WeakPolarHBondContact CA-O 3.47Å; A171-R213 WeakPolarHBondContact CB-O 3.47Å; A171-L214 HydrophobicContact CB-CD2 3.83Å
172K86.9Confident77.3Confident74 Ų7481 Ų8132%0.32245%0.447SS..  trans-123.7135.1177.5-63.9-177.3-172.7163.20109.9R174 R213 C218 D219K172-R174 VanDerWaalsContact C-N 3.32Å; K172-R174 PolarHBondContact O-N 3.16Å; K172-R213 PolarHBondContact N-O 2.76Å; K172-C218 HydrophobicContact CB-CB 4.17Å; K172-C218 HydrophobicContact CD-CB 4.1Å; K172-C218 HydrophobicContact CG-CB 4.1Å; K172-C218 PolarHBondContact NZ-O 3.43Å; K172-D219 WeakPolarHBondContact CE-OD1 3.44Å; K172-D219 IonicContact NZ-OD1 2.6Å; K172-D219 PolarHBondContact NZ-OD1 3.49Å
173D73.9Confident76.6Confident166 Ų16687 Ų8789%0.88848%0.475SS*.SBendtrans-71.5-26.6-178.4-63.9-36.6000113.3
174R64.3Low76.4Confident219 Ų21986.8 Ų86.883%0.82647%0.471SS*.SBendtrans-91.4123.9-179.4-69.1-173.7175.5-172.8-1.2110.5K172 Q176K172-R174 VanDerWaalsContact C-N 3.32Å; K172-R174 PolarHBondContact O-N 3.16Å; R174-Q176 PolarHBondContact O-N 2.87Å
175V61.8Low76.4Confident82 Ų8286.8 Ų86.850%0.49747%0.471SS..  trans-59.4108.5161.2-179.70000106.4G177 R213V175-G177 PolarHBondContact O-N 2.94Å; V175-R213 HydrophobicContact CG2-CG 4.47Å
176Q56.4Low76.5Confident83 Ų8382.1 Ų82.139%0.38845%0.449SS..  trans-60.3124.8165.7-71.4-173.3-1100106.2R174 C218R174-Q176 PolarHBondContact O-N 2.87Å; Q176-C218 PolarHBondContact NE2-O 2.8Å
177G54.4Low76.7Confident59 Ų5978.9 Ų78.961%0.60843%0.434SS*.  trans-49.8149.1179.300000110.7V175 D179V175-G177 PolarHBondContact O-N 2.94Å; G177-D179 PolarHBondContact O-N 2.94Å
178E53.2Low76.9Confident184 Ų18478.8 Ų78.886%0.8643%0.434SS*.  trans-50.5111.6171.3-73.7-174.9162.600107.9A180E178-A180 PolarHBondContact O-N 3.02Å
179D52Low77.2Confident86 Ų8675.3 Ų75.346%0.4641%0.412SS..  trans-74.688.2168.3-155.5-18.1000104.2G177 S181 C182G177-D179 PolarHBondContact O-N 2.94Å; D179-S181 PolarHBondContact O-N 3.06Å; D179-S181 PolarHBondContact OD1-OG 3.29Å; D179-C182 PolarHBondContact O-N 2.82Å
180A54.2Low77.4Confident85 Ų8570.2 Ų70.270%0.70238%0.381SS*.THydrogen-bonded Turntrans-54.3-11.6-176.300000112.6E178E178-A180 PolarHBondContact O-N 3.02Å
181S59Low77.7Confident99 Ų9965.5 Ų65.569%0.69236%0.364SS*.THydrogen-bonded Turntrans-83.6-24177.573.70000115.7D179D179-S181 PolarHBondContact O-N 3.06Å; D179-S181 PolarHBondContact OD1-OG 3.29Å
182C69.3Low78.1Confident26 Ų2663.5 Ų63.518%0.17635%0.347CS..  trans-120.798.8-173-169.90000112.9D179 P221D179-C182 PolarHBondContact O-N 2.82Å; C182-P221 HydrophobicContact CB-CB 4.49Å
183Q82.1Confident78.6Confident126 Ų12660.3 Ų60.359%0.58933%0.333SS*.  trans-98.211.6179.2-67.5-65.5-35.600113.5P185Q183-P185 WeakPolarHBondContact O-CD 3.44Å
184T91.3Very high79.8Confident22 Ų2252.4 Ų52.414%0.13529%0.291CS..  trans-57.8124.3-177.4-58.90000110.5S124 A131 G222 R223S124-T184 WeakPolarHBondContact OG-CG2 3.49Å; A131-T184 WeakPolarHBondContact O-CG2 3.45Å; A131-T184 PolarHBondContact O-OG1 3.17Å; T184-G222 WeakPolarHBondContact O-CA 3.42Å; T184-R223 PolarHBondContact O-N 3.32Å
185P94.6Very high81.3Confident18 Ų1842.6 Ų42.612%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-77.1135.7-178.829.9-33000111F121 P122 S133 Q183 R223 F225 I275F121-P185 HydrophobicContact CE1-CB 3.87Å; F121-P185 HydrophobicContact CE1-CG 4.33Å; F121-P185 HydrophobicContact CZ-CB 3.8Å; P122-P185 HydrophobicContact CG-CG 4.01Å; P122-P185 WeakPolarHBondContact O-CG 3.47Å; S133-P185 VanDerWaalsContact CB-O 3.31Å; S133-P185 WeakPolarHBondContact CB-O 3.49Å; S133-P185 PolarHBondContact OG-O 2.81Å; Q183-P185 WeakPolarHBondContact O-CD 3.44Å; P185-R223 CarbonylContact C-O 3.58Å; P185-R223 WeakPolarHBondContact CA-O 3.34Å; P185-F225 HydrophobicContact CB-CD2 4.36Å; P185-F225 HydrophobicContact CB-CE2 3.95Å; P185-I275 HydrophobicContact CB-CD1 4.35Å
186H96.6Very high83Confident1 Ų138.7 Ų38.71%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-125.8148.4176.7-59.8-27.2000109.6G132 F134 P221 R223 W224 F225G132-H186 PolarHBondContact O-CE1 2.98Å; F134-H186 AromaticContact CD2-CE1 3.66Å; F134-H186 AromaticContact CD2-NE2 3.87Å; F134-H186 PolarHBondContact N-ND1 2.8Å; F134-H186 VanDerWaalsContact N-ND1 3.11Å; H186-P221 PolarHBondContact NE2-O 2.64Å; H186-R223 PolarHBondContact N-O 3.34Å; H186-W224 HydrophobicContact CB-CD2 3.8Å; H186-W224 HydrophobicContact CB-CE3 3.79Å; H186-W224 HydrophobicContact CB-CG 4.41Å; H186-W224 HydrophobicContact CB-CH2 3.92Å; H186-W224 HydrophobicContact CB-CZ2 3.92Å; H186-W224 HydrophobicContact CB-CZ3 3.87Å; H186-W224 AromaticContact CD2-CE2 3.57Å; H186-W224 AromaticContact CD2-CZ2 3.52Å; H186-W224 AromaticContact CD2-NE1 3.71Å; H186-W224 AromaticContact CG-CZ2 3.97Å; H186-F225 PolarHBondContact O-N 3.35Å
187L98.3Very high84.9Confident0 Ų034.8 Ų34.80%021%0.213CC..EExtended strand (participates in β ladder)trans-121.5123.5179.6-173.766.8000109.8V117 F121 W123 F134 F135 C136 M148 F225 L227 F248V117-L187 HydrophobicContact CG1-CD2 3.89Å; F121-L187 HydrophobicContact CE1-CB 4.25Å; F121-L187 HydrophobicContact CE2-CB 4.35Å; F121-L187 HydrophobicContact CE2-CD1 4.18Å; F121-L187 HydrophobicContact CZ-CB 4.06Å; W123-L187 HydrophobicContact CH2-CB 3.76Å; W123-L187 HydrophobicContact CH2-CD2 3.87Å; W123-L187 HydrophobicContact CH2-CG 4.48Å; W123-L187 HydrophobicContact CZ2-CD2 4.24Å; W123-L187 HydrophobicContact CZ3-CB 4.2Å; F134-L187 PolarHBondContact O-N 2.95Å; F134-L187 VanDerWaalsContact O-N 3.09Å; F135-L187 HydrophobicContact CD2-CB 4.39Å; F135-L187 HydrophobicContact CD2-CD2 4.21Å; F135-L187 HydrophobicContact CE2-CD2 4.24Å; C136-L187 PolarHBondContact N-O 2.96Å; M148-L187 HydrophobicContact CE-CD2 3.75Å; L187-F225 HydrophobicContact CD1-CB 4.04Å; L187-L227 HydrophobicContact CD1-CB 4.12Å; L187-F248 HydrophobicContact CD1-CD2 3.9Å; L187-F248 HydrophobicContact CD1-CE2 3.98Å
188F98.6Very high86.9Confident0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-107.9124.5170.8-177.1-101.8000110.3C136 L138 V162 L167 Y190 I209 P216 W224 F225 V226 L227C136-F188 HydrophobicContact CB-CD2 3.66Å; C136-F188 HydrophobicContact CB-CE2 4.41Å; C136-F188 CarbonylContact O-C 3.42Å; C136-F188 VanDerWaalsContact O-CA 3.32Å; C136-F188 WeakPolarHBondContact O-CA 3.46Å; L138-F188 HydrophobicContact CD2-CZ 3.95Å; L138-F188 HydrophobicContact CG-CZ 4.08Å; V162-F188 HydrophobicContact CB-CE2 4.5Å; V162-F188 HydrophobicContact CG2-CE2 4.33Å; L167-F188 HydrophobicContact CD1-CE1 4.29Å; L167-F188 HydrophobicContact CD1-CZ 3.81Å; L167-F188 HydrophobicContact CD2-CZ 4.49Å; F188-Y190 AromaticContact CD1-CD1 3.99Å; F188-Y190 HydrophobicContact CD1-CD1 3.99Å; F188-Y190 AromaticContact CE1-CD1 3.66Å; F188-Y190 HydrophobicContact CE1-CD1 3.66Å; F188-Y190 HydrophobicContact CE1-CG 4.02Å; F188-I209 HydrophobicContact CB-CG2 3.92Å; F188-I209 HydrophobicContact CD1-CD1 4.01Å; F188-I209 HydrophobicContact CD1-CG1 3.78Å; F188-I209 HydrophobicContact CD1-CG2 4.29Å; F188-I209 HydrophobicContact CD2-CD1 4.41Å; F188-I209 HydrophobicContact CE1-CD1 4.12Å; F188-I209 HydrophobicContact CE1-CG1 4.01Å; F188-I209 HydrophobicContact CG-CD1 4.16Å; F188-I209 HydrophobicContact CG-CG1 4.32Å; F188-I209 HydrophobicContact CG-CG2 4.26Å; F188-I209 HydrophobicContact CZ-CD1 4.4Å; F188-P216 HydrophobicContact CD2-CG 4.29Å; F188-W224 HydrophobicContact CB-CE3 4.05Å; F188-W224 HydrophobicContact CB-CZ3 4.13Å; F188-F225 PolarHBondContact N-O 2.88Å; F188-V226 WeakPolarHBondContact O-CA 3.41Å; F188-L227 PolarHBondContact O-N 3.04Å
189C98.6Very high89Confident0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-112.1131.6178.6-62.90000111.4F135 C136 Y137 L138 V145 L227F135-C189 HydrophobicContact CE2-CB 4.41Å; F135-C189 VanDerWaalsContact CE2-SG 3.53Å; C136-C189 PolarHBondContact O-N 2.58Å; Y137-C189 CarbonylContact C-O 3.31Å; Y137-C189 WeakPolarHBondContact CA-O 3.21Å; L138-C189 PolarHBondContact N-O 3.22Å; V145-C189 HydrophobicContact CG1-CB 3.59Å; C189-L227 WeakPolarHBondContact CA-O 3.5Å; C189-L227 HydrophobicContact CB-CD2 4.38Å
190Y98.4Very high91.2Very high0 Ų022.8 Ų22.80%014%0.135CC..EExtended strand (participates in β ladder)trans-147.3151169.579-78.2000111.8L138 F188 Y201 P202 H205 V206 V226 L227 L228 D229L138-Y190 HydrophobicContact CD1-CD2 4.47Å; L138-Y190 HydrophobicContact CD1-CG 4.49Å; F188-Y190 AromaticContact CD1-CD1 3.99Å; F188-Y190 HydrophobicContact CD1-CD1 3.99Å; F188-Y190 AromaticContact CE1-CD1 3.66Å; F188-Y190 HydrophobicContact CE1-CD1 3.66Å; F188-Y190 HydrophobicContact CE1-CG 4.02Å; Y190-Y201 HydrophobicContact CD2-CG 4.33Å; Y190-P202 PolarHBondContact OH-O 3.12Å; Y190-H205 HydrophobicContact CE1-CB 4.27Å; Y190-H205 HydrophobicContact CE2-CB 4.21Å; Y190-V206 HydrophobicContact CE1-CG2 4.05Å; Y190-V206 WeakPolarHBondContact OH-CG2 3.33Å; Y190-V206 PolarHBondContact OH-N 3.42Å; Y190-V226 HydrophobicContact CD1-CG1 4.15Å; Y190-V226 HydrophobicContact CE1-CG1 3.79Å; Y190-L227 PolarHBondContact N-O 3.06Å; Y190-L227 VanDerWaalsContact N-O 3.16Å; Y190-L228 HydrophobicContact CD1-CD1 4.31Å; Y190-L228 HydrophobicContact CD2-CD1 4.21Å; Y190-L228 HydrophobicContact CE1-CD1 3.74Å; Y190-L228 HydrophobicContact CE2-CD1 3.63Å; Y190-D229 PolarHBondContact O-N 3.41Å
191P98.2Very high93.2Very high4 Ų419 Ų193%0.02610%0.103CC..EExtended strand (participates in β ladder)trans-74.9139.317632.5-36.7000110.9D140 Y201 D229D140-P191 WeakPolarHBondContact O-CG 2.96Å; P191-Y201 HydrophobicContact CG-CD2 3.93Å; P191-Y201 HydrophobicContact CG-CE2 3.83Å; P191-Y201 WeakPolarHBondContact O-CD2 3.17Å; P191-D229 CarbonylContact C-O 3.55Å; P191-D229 WeakPolarHBondContact CA-O 3.49Å
192A98.3Very high95Very high0 Ų017.2 Ų17.20%09%0.089CC..SBendtrans-64.6-35.3165.600000111K200 Y201 L203 L228 D229 H233A192-K200 WeakPolarHBondContact O-CA 3.2Å; A192-Y201 PolarHBondContact O-N 2.9Å; A192-L203 HydrophobicContact CB-CD2 4.3Å; A192-L228 HydrophobicContact CB-CD1 3.86Å; A192-L228 HydrophobicContact CB-CD2 4.24Å; A192-L228 HydrophobicContact CB-CG 4.02Å; A192-D229 PolarHBondContact N-O 3.38Å; A192-H233 HydrophobicContact CB-CB 3.61Å
193Q98.1Very high96.3Very high6 Ų618.1 Ų18.13%0.0289%0.092CC..BIsolated β-bridgetrans-141.4129.9175.4-174.7-178.1-75.100110.6N195 R199 K200 S232 H233Q193-N195 PolarHBondContact O-N 3.27Å; Q193-R199 CarbonylContact C-O 3.53Å; Q193-R199 VanDerWaalsContact CA-O 3.29Å; Q193-R199 WeakPolarHBondContact CA-O 3.35Å; Q193-K200 HydrophobicContact CB-CG 4.14Å; Q193-K200 HydrophobicContact CG-CG 3.93Å; Q193-S232 PolarHBondContact NE2-O 2.83Å; Q193-S232 VanDerWaalsContact NE2-O 3.13Å; Q193-S232 PolarHBondContact NE2-OG 2.87Å; Q193-S232 VanDerWaalsContact O-CB 3.25Å; Q193-S232 WeakPolarHBondContact O-CB 3.32Å; Q193-H233 HydrophobicContact CB-CB 3.79Å
194S97.8Very high96.9Very high0 Ų015.7 Ų15.70%09%0.089CC..  trans-60.7127.2171.7-179.40000110.3D140 F196 S197 G198 R199D140-S194 WeakPolarHBondContact OD1-CB 3.19Å; D140-S194 PolarHBondContact OD1-OG 3.42Å; D140-S194 VanDerWaalsContact OD2-CB 3.24Å; D140-S194 WeakPolarHBondContact OD2-CB 3.24Å; D140-S194 PolarHBondContact OD2-OG 3.49Å; S194-F196 PolarHBondContact O-N 3.39Å; S194-F196 PolarHBondContact OG-N 2.79Å; S194-F196 VanDerWaalsContact OG-N 3.13Å; S194-S197 WeakPolarHBondContact CB-OG 3.46Å; S194-S197 PolarHBondContact OG-N 3.22Å; S194-S197 PolarHBondContact OG-OG 2.98Å; S194-G198 VanDerWaalsContact O-CA 3.29Å; S194-G198 WeakPolarHBondContact O-CA 3.34Å; S194-G198 PolarHBondContact O-N 2.82Å; S194-G198 VanDerWaalsContact O-N 3.1Å; S194-R199 PolarHBondContact N-O 3.42Å
195N97.3Very high97.2Very high13 Ų1315.6 Ų15.67%0.079%0.087CC..THydrogen-bonded Turntrans-77.6-7.3171.473.2-60.8000112.7Q193 F414 N416 R457Q193-N195 PolarHBondContact O-N 3.27Å; N195-F414 PolarHBondContact ND2-O 3.12Å; N195-N416 WeakPolarHBondContact OD1-CB 3.2Å; N195-N416 PolarHBondContact OD1-ND2 3.37Å; N195-R457 WeakPolarHBondContact O-CD 3.45Å; N195-R457 PolarHBondContact O-NH1 3.22Å
196F96.9Very high97.3Very high0 Ų014.8 Ų14.80%08%0.081CC..THydrogen-bonded Turntrans-91-62.7176.3-171.8-84.3000110.7S194 N382 F414 N416 A419 C420 F423S194-F196 PolarHBondContact O-N 3.39Å; S194-F196 PolarHBondContact OG-N 2.79Å; S194-F196 VanDerWaalsContact OG-N 3.13Å; F196-N382 WeakPolarHBondContact CD1-ND2 3.43Å; F196-N382 WeakPolarHBondContact CE1-ND2 3.36Å; F196-N382 WeakPolarHBondContact CG-ND2 3.34Å; F196-N382 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N382 VanDerWaalsContact O-CB 3.24Å; F196-N382 WeakPolarHBondContact O-CB 3.42Å; F196-N382 PolarHBondContact O-ND2 3.24Å; F196-F414 AromaticContact CD2-CD2 3.48Å; F196-F414 HydrophobicContact CD2-CD2 3.48Å; F196-F414 VanDerWaalsContact CD2-CD2 3.48Å; F196-F414 HydrophobicContact CD2-CE2 4.03Å; F196-F414 AromaticContact CE2-CD2 3.74Å; F196-F414 HydrophobicContact CE2-CD2 3.74Å; F196-F414 AromaticContact CE2-CE2 3.84Å; F196-F414 HydrophobicContact CE2-CE2 3.84Å; F196-F414 HydrophobicContact CG-CD2 4.24Å; F196-N416 HydrophobicContact CB-CB 4.18Å; F196-A419 HydrophobicContact CB-CB 3.68Å; F196-A419 HydrophobicContact CD1-CB 3.94Å; F196-A419 HydrophobicContact CD2-CB 4.21Å; F196-A419 HydrophobicContact CG-CB 3.68Å; F196-C420 HydrophobicContact CD2-CB 4.28Å; F196-C420 HydrophobicContact CE2-CB 3.72Å; F196-C420 HydrophobicContact CZ-CB 4.34Å; F196-F423 AromaticContact CD1-CD2 3.62Å; F196-F423 HydrophobicContact CD1-CD2 3.62Å; F196-F423 HydrophobicContact CD1-CE2 4.08Å; F196-F423 HydrophobicContact CD1-CG 4.45Å; F196-F423 HydrophobicContact CE1-CB 3.86Å; F196-F423 AromaticContact CE1-CD2 3.51Å; F196-F423 HydrophobicContact CE1-CD2 3.51Å; F196-F423 HydrophobicContact CE1-CE2 4.37Å; F196-F423 AromaticContact CE1-CG 3.93Å; F196-F423 HydrophobicContact CE1-CG 3.93Å; F196-F423 HydrophobicContact CZ-CB 4.41Å
197S96Very high97.3Very high1 Ų120.5 Ų20.51%0.00710%0.103CC..THydrogen-bonded Turntrans-96.6-13.8-172.762.80000114.2S194 R199 Q377S194-S197 WeakPolarHBondContact CB-OG 3.46Å; S194-S197 PolarHBondContact OG-N 3.22Å; S194-S197 PolarHBondContact OG-OG 2.98Å; S197-R199 PolarHBondContact O-N 2.82Å; S197-R199 WeakPolarHBondContact OG-CB 3.47Å; S197-R199 PolarHBondContact OG-N 3.33Å; S197-Q377 PolarHBondContact O-NE2 2.92Å
198G96.9Very high97.2Very high0 Ų021.1 Ų21.10%011%0.109CC..  trans76.2-0.3-170.500000114.7S194 K200 Q377 G378S194-G198 VanDerWaalsContact O-CA 3.29Å; S194-G198 WeakPolarHBondContact O-CA 3.34Å; S194-G198 PolarHBondContact O-N 2.82Å; S194-G198 VanDerWaalsContact O-N 3.1Å; G198-K200 PolarHBondContact O-N 3.24Å; G198-Q377 VanDerWaalsContact C-NE2 3.29Å; G198-Q377 PolarHBondContact O-NE2 2.98Å; G198-G378 PolarHBondContact O-N 3.2Å
199R96.7Very high97.1Very high65 Ų6521.1 Ų21.125%0.24511%0.109CC..BIsolated β-bridgetrans-56.7133.2175.6179.1-175.4180174.112.7110.5Q193 S194 S197 E368Q193-R199 CarbonylContact C-O 3.53Å; Q193-R199 VanDerWaalsContact CA-O 3.29Å; Q193-R199 WeakPolarHBondContact CA-O 3.35Å; S194-R199 PolarHBondContact N-O 3.42Å; S197-R199 PolarHBondContact O-N 2.82Å; S197-R199 WeakPolarHBondContact OG-CB 3.47Å; S197-R199 PolarHBondContact OG-N 3.33Å; R199-E368 IonicContact CZ-OE2 2.72Å; R199-E368 IonicContact NE-OE2 2.76Å; R199-E368 IonicContact NH1-OE1 3.97Å; R199-E368 IonicContact NH1-OE2 3.51Å; R199-E368 PolarHBondContact NH1-OE2 2.83Å; R199-E368 IonicContact NH2-OE2 3.44Å
200K97.6Very high96.8Very high12 Ų1224 Ų245%0.05212%0.123CC..BIsolated β-bridgetrans-96.2129.4170.7-67.2172.6177.1172.40109.8A192 Q193 G198 S237 P374 I375 T376 Q377A192-K200 WeakPolarHBondContact O-CA 3.2Å; Q193-K200 HydrophobicContact CB-CG 4.14Å; Q193-K200 HydrophobicContact CG-CG 3.93Å; G198-K200 PolarHBondContact O-N 3.24Å; K200-S237 WeakPolarHBondContact CE-OG 3.36Å; K200-S237 PolarHBondContact NZ-OG 2.73Å; K200-P374 PolarHBondContact NZ-O 3.37Å; K200-I375 VanDerWaalsContact CB-O 3.31Å; K200-I375 WeakPolarHBondContact CB-O 3.32Å; K200-I375 WeakPolarHBondContact CD-O 3.4Å; K200-T376 PolarHBondContact N-O 3.38Å; K200-Q377 PolarHBondContact NZ-O 3.42Å
201Y96.9Very high96.6Very high7 Ų725.9 Ų25.93%0.02714%0.138CC..PPolyproline II helixtrans-87141.7175.7-72-86.5000109.7L138 D140 P164 Y190 P191 A192 L203L138-Y201 HydrophobicContact CD1-CD1 3.92Å; L138-Y201 HydrophobicContact CD1-CE1 3.7Å; L138-Y201 HydrophobicContact CD1-CG 4.43Å; D140-Y201 WeakPolarHBondContact CB-OH 3.14Å; D140-Y201 WeakPolarHBondContact OD2-CE2 3.15Å; D140-Y201 PolarHBondContact OD2-OH 3.13Å; P164-Y201 HydrophobicContact CB-CE1 4.04Å; P164-Y201 HydrophobicContact CG-CE1 4.43Å; P164-Y201 WeakPolarHBondContact CG-OH 3.36Å; Y190-Y201 HydrophobicContact CD2-CG 4.33Å; P191-Y201 HydrophobicContact CG-CD2 3.93Å; P191-Y201 HydrophobicContact CG-CE2 3.83Å; P191-Y201 WeakPolarHBondContact O-CD2 3.17Å; A192-Y201 PolarHBondContact O-N 2.9Å; Y201-L203 PolarHBondContact O-N 2.99Å
202P96.1Very high96.3Very high60 Ų6027 Ų2739%0.3914%0.142SC..PPolyproline II helixtrans-52.6124.3176.1-27.532.7000112.4Y190 S204 H205Y190-P202 PolarHBondContact OH-O 3.12Å; P202-S204 PolarHBondContact O-N 3.27Å; P202-H205 VanDerWaalsContact CD-CE1 3.48Å; P202-H205 WeakPolarHBondContact CD-CE1 3.36Å; P202-H205 WeakPolarHBondContact O-CB 3.43Å; P202-H205 VanDerWaalsContact O-CG 3.29Å; P202-H205 PolarHBondContact O-N 3.41Å; P202-H205 VanDerWaalsContact O-N 3.1Å
203L96.7Very high96.1Very high46 Ų4633.4 Ų33.424%0.24117%0.166CC..THydrogen-bonded Turntrans-64.9-22.1175.6-62.8-175.2000112A192 Y201 H205 V206 L228 L239 C244A192-L203 HydrophobicContact CB-CD2 4.3Å; Y201-L203 PolarHBondContact O-N 2.99Å; L203-H205 PolarHBondContact O-N 3.42Å; L203-V206 WeakPolarHBondContact O-CG2 3.48Å; L203-V206 PolarHBondContact O-N 3.04Å; L203-L228 HydrophobicContact CD2-CD2 4.09Å; L203-L239 HydrophobicContact CD1-CD1 3.78Å; L203-L239 HydrophobicContact CD2-CD1 4.16Å; L203-C244 HydrophobicContact CB-CB 4.01Å; L203-C244 HydrophobicContact CD1-CB 4.23Å
204S95.9Very high96Very high75 Ų7534.1 Ų34.152%0.52417%0.17SC..THydrogen-bonded Turntrans-64-17.4173.457.90000113.7P202 V206 R207 G208P202-S204 PolarHBondContact O-N 3.27Å; S204-V206 PolarHBondContact O-N 3.5Å; S204-R207 PolarHBondContact O-N 2.75Å; S204-G208 PolarHBondContact O-N 2.96Å
205H96.8Very high95.8Very high20 Ų2035 Ų359%0.09317%0.173CC..Hα-helixtrans-60.5-29175.3-67.4173.2000112.7L167 Y190 P202 L203 G208 I209 L214L167-H205 VanDerWaalsContact CD2-ND1 3.3Å; L167-H205 WeakPolarHBondContact CD2-ND1 3.39Å; Y190-H205 HydrophobicContact CE1-CB 4.27Å; Y190-H205 HydrophobicContact CE2-CB 4.21Å; P202-H205 VanDerWaalsContact CD-CE1 3.48Å; P202-H205 WeakPolarHBondContact CD-CE1 3.36Å; P202-H205 WeakPolarHBondContact O-CB 3.43Å; P202-H205 VanDerWaalsContact O-CG 3.29Å; P202-H205 PolarHBondContact O-N 3.41Å; P202-H205 VanDerWaalsContact O-N 3.1Å; L203-H205 PolarHBondContact O-N 3.42Å; H205-G208 PolarHBondContact O-N 3.43Å; H205-I209 WeakPolarHBondContact O-CG1 3.49Å; H205-I209 PolarHBondContact O-N 3.32Å; H205-L214 HydrophobicContact CB-CD1 3.91Å
206V97.6Very high95.7Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-53-57.5171.8175.20000110.8Y190 L203 S204 G208 I209 Q210 V226 C244 P245 A246Y190-V206 HydrophobicContact CE1-CG2 4.05Å; Y190-V206 WeakPolarHBondContact OH-CG2 3.33Å; Y190-V206 PolarHBondContact OH-N 3.42Å; L203-V206 WeakPolarHBondContact O-CG2 3.48Å; L203-V206 PolarHBondContact O-N 3.04Å; S204-V206 PolarHBondContact O-N 3.5Å; V206-G208 VanDerWaalsContact C-N 3.28Å; V206-G208 PolarHBondContact O-N 3.4Å; V206-I209 PolarHBondContact O-N 2.92Å; V206-Q210 WeakPolarHBondContact O-CG 3.1Å; V206-Q210 PolarHBondContact O-N 3.28Å; V206-V226 HydrophobicContact CB-CG1 4.42Å; V206-V226 HydrophobicContact CG1-CB 4.29Å; V206-V226 HydrophobicContact CG1-CG1 4.37Å; V206-V226 HydrophobicContact CG2-CG1 3.97Å; V206-C244 WeakPolarHBondContact CG2-SG 3.21Å; V206-P245 WeakPolarHBondContact CG1-O 3.41Å; V206-A246 HydrophobicContact CG1-CB 4.16Å; V206-A246 HydrophobicContact CG2-CB 4.03Å
207R96.1Very high95.5Very high122 Ų12234.4 Ų34.446%0.4617%0.17SC..Hα-helixtrans-63-37.5178.4-67.6-174.2179120.31.9111.4S204 I209 A211 Q242 D243 P245S204-R207 PolarHBondContact O-N 2.75Å; R207-I209 VanDerWaalsContact C-N 3.35Å; R207-I209 PolarHBondContact O-N 3.14Å; R207-A211 WeakPolarHBondContact O-CB 3.42Å; R207-A211 PolarHBondContact O-N 3Å; R207-Q242 PolarHBondContact NH2-O 3.42Å; R207-Q242 VanDerWaalsContact NH2-O 3.15Å; R207-D243 PolarHBondContact NH1-O 2.89Å; R207-D243 PolarHBondContact NH2-O 3.32Å; R207-P245 HydrophobicContact CG-CG 4.15Å
208G95.1Very high95.2Very high12 Ų1234.4 Ų34.412%0.12417%0.17CC..Hα-helixtrans-61.9-38.4177.600000113.7S204 H205 V206 R212 R213 L214S204-G208 PolarHBondContact O-N 2.96Å; H205-G208 PolarHBondContact O-N 3.43Å; V206-G208 VanDerWaalsContact C-N 3.28Å; V206-G208 PolarHBondContact O-N 3.4Å; G208-R212 PolarHBondContact O-N 3.08Å; G208-R213 PolarHBondContact O-N 3.17Å; G208-L214 PolarHBondContact O-N 2.72Å; G208-L214 VanDerWaalsContact O-N 3.15Å
209I96.3Very high94.9Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-76.3-47.9176.9-68.4-72.7000111.1L167 F188 H205 V206 R207 A211 R212 L214 A217 W224 V226L167-I209 HydrophobicContact CD1-CD1 3.88Å; F188-I209 HydrophobicContact CB-CG2 3.92Å; F188-I209 HydrophobicContact CD1-CD1 4.01Å; F188-I209 HydrophobicContact CD1-CG1 3.78Å; F188-I209 HydrophobicContact CD1-CG2 4.29Å; F188-I209 HydrophobicContact CD2-CD1 4.41Å; F188-I209 HydrophobicContact CE1-CD1 4.12Å; F188-I209 HydrophobicContact CE1-CG1 4.01Å; F188-I209 HydrophobicContact CG-CD1 4.16Å; F188-I209 HydrophobicContact CG-CG1 4.32Å; F188-I209 HydrophobicContact CG-CG2 4.26Å; F188-I209 HydrophobicContact CZ-CD1 4.4Å; H205-I209 WeakPolarHBondContact O-CG1 3.49Å; H205-I209 PolarHBondContact O-N 3.32Å; V206-I209 PolarHBondContact O-N 2.92Å; R207-I209 VanDerWaalsContact C-N 3.35Å; R207-I209 PolarHBondContact O-N 3.14Å; I209-A211 VanDerWaalsContact C-N 3.26Å; I209-A211 PolarHBondContact O-N 3.06Å; I209-R212 WeakPolarHBondContact O-CA 3.32Å; I209-R212 PolarHBondContact O-N 2.94Å; I209-L214 HydrophobicContact CD1-CB 3.71Å; I209-L214 HydrophobicContact CG1-CB 4.15Å; I209-L214 HydrophobicContact CG1-CD1 4.47Å; I209-A217 HydrophobicContact CD1-CB 4.24Å; I209-A217 HydrophobicContact CG2-CB 4.09Å; I209-A217 WeakPolarHBondContact O-CB 3.45Å; I209-W224 HydrophobicContact CG2-CB 4.13Å; I209-W224 HydrophobicContact CG2-CE3 4.24Å; I209-V226 HydrophobicContact CB-CG2 3.77Å; I209-V226 HydrophobicContact CG2-CG2 3.52Å
210Q94.3Very high94.4Very high62 Ų6235.7 Ų35.729%0.2918%0.182SC..Hα-helixtrans-58.7-38.8177.3-72.3168.3-2300111.6V206 R212 V226 P245 D247V206-Q210 WeakPolarHBondContact O-CG 3.1Å; V206-Q210 PolarHBondContact O-N 3.28Å; Q210-R212 PolarHBondContact O-N 2.82Å; Q210-V226 HydrophobicContact CG-CG2 3.95Å; Q210-P245 PolarHBondContact NE2-O 3.26Å; Q210-D247 PolarHBondContact NE2-OD2 3.46Å
211A92.5Very high93.9Very high39 Ų3937.7 Ų37.732%0.32220%0.196SC..THydrogen-bonded Turntrans-82.25.9175.400000114.2R207 I209 R213R207-A211 WeakPolarHBondContact O-CB 3.42Å; R207-A211 PolarHBondContact O-N 3Å; I209-A211 VanDerWaalsContact C-N 3.26Å; I209-A211 PolarHBondContact O-N 3.06Å; A211-R213 VanDerWaalsContact C-N 3.26Å; A211-R213 HydrophobicContact CB-CG 4.24Å; A211-R213 PolarHBondContact O-N 3.04Å
212R92.6Very high93.5Very high28 Ų2837.8 Ų37.811%0.10620%0.199CC..THydrogen-bonded Turntrans55.534.8178.3-58.6178.962.6-154-5.1114.3G208 I209 Q210 A217 C218 L220G208-R212 PolarHBondContact O-N 3.08Å; I209-R212 WeakPolarHBondContact O-CA 3.32Å; I209-R212 PolarHBondContact O-N 2.94Å; Q210-R212 PolarHBondContact O-N 2.82Å; R212-A217 HydrophobicContact CB-CB 4.43Å; R212-A217 HydrophobicContact CG-CB 4.3Å; R212-A217 PolarHBondContact NE-O 3.39Å; R212-C218 VanDerWaalsContact O-CA 3.26Å; R212-C218 WeakPolarHBondContact O-CA 3.42Å; R212-C218 VanDerWaalsContact O-CB 3.24Å; R212-C218 WeakPolarHBondContact O-CB 3.24Å; R212-L220 PolarHBondContact NH2-O 3.17Å
213R93.3Very high93.3Very high133 Ų13340.6 Ų40.650%0.50220%0.202SC..  trans-95.4-28.3176.3-61.9-176.9-173.7177.11112.8A171 K172 V175 G208 A211A171-R213 VanDerWaalsContact CA-O 3.32Å; A171-R213 WeakPolarHBondContact CA-O 3.47Å; A171-R213 WeakPolarHBondContact CB-O 3.47Å; K172-R213 PolarHBondContact N-O 2.76Å; V175-R213 HydrophobicContact CG2-CG 4.47Å; G208-R213 PolarHBondContact O-N 3.17Å; A211-R213 VanDerWaalsContact C-N 3.26Å; A211-R213 HydrophobicContact CB-CG 4.24Å; A211-R213 PolarHBondContact O-N 3.04Å
214L95.9Very high93.3Very high21 Ų2139 Ų3911%0.1119%0.192CC..SBendtrans-100.4152.2-179.7-63.5179.7000111.9L167 A171 H205 G208 I209 A217 C218L167-L214 HydrophobicContact CD1-CB 3.95Å; L167-L214 HydrophobicContact CD1-CD1 4.34Å; L167-L214 HydrophobicContact CG-CD1 4.47Å; A171-L214 HydrophobicContact CB-CD2 3.83Å; H205-L214 HydrophobicContact CB-CD1 3.91Å; G208-L214 PolarHBondContact O-N 2.72Å; G208-L214 VanDerWaalsContact O-N 3.15Å; I209-L214 HydrophobicContact CD1-CB 3.71Å; I209-L214 HydrophobicContact CG1-CB 4.15Å; I209-L214 HydrophobicContact CG1-CD1 4.47Å; L214-A217 WeakPolarHBondContact O-CA 3.27Å; L214-A217 WeakPolarHBondContact O-CB 3.24Å; L214-A217 PolarHBondContact O-N 3.34Å; L214-C218 PolarHBondContact O-N 3.14Å
215Y95.2Very high93.4Very high19 Ų1935.6 Ų35.68%0.07517%0.168CC..THydrogen-bonded Turntrans-72.9137.9175.6176-98.1000110.6V162 E166 L167 R170 D219V162-Y215 HydrophobicContact CB-CE1 4.39Å; V162-Y215 HydrophobicContact CG1-CD1 3.69Å; V162-Y215 HydrophobicContact CG1-CE1 3.79Å; V162-Y215 HydrophobicContact CG2-CD1 4.34Å; V162-Y215 HydrophobicContact CG2-CE1 3.86Å; E166-Y215 HydrophobicContact CB-CD1 4.08Å; E166-Y215 HydrophobicContact CB-CE1 4.31Å; L167-Y215 WeakPolarHBondContact CD1-O 3.44Å; L167-Y215 PolarHBondContact O-N 3.46Å; R170-Y215 HydrophobicContact CB-CD2 4.13Å; R170-Y215 HydrophobicContact CB-CG 3.96Å; R170-Y215 VanDerWaalsContact NH1-CZ 3.29Å; R170-Y215 PolarHBondContact NH1-OH 2.9Å; Y215-D219 HydrophobicContact CD2-CB 4.31Å; Y215-D219 WeakPolarHBondContact CD2-OD2 3.34Å; Y215-D219 HydrophobicContact CE2-CB 4.36Å; Y215-D219 WeakPolarHBondContact CE2-OD2 3.5Å
216P94.1Very high93.5Very high0 Ų034.6 Ų34.60%016%0.163CC..THydrogen-bonded Turncis-91.1-28.232.9-30.1000115.4C136 L160 V162 F188 C218 D219 L220 W224C136-P216 HydrophobicContact CB-CG 3.72Å; C136-P216 VanDerWaalsContact SG-CG 3.5Å; L160-P216 HydrophobicContact CD2-CB 3.99Å; L160-P216 HydrophobicContact CD2-CG 4.32Å; V162-P216 HydrophobicContact CG2-CG 4.21Å; F188-P216 HydrophobicContact CD2-CG 4.29Å; P216-C218 VanDerWaalsContact C-N 3.27Å; P216-C218 PolarHBondContact O-N 3.5Å; P216-D219 PolarHBondContact O-N 3.18Å; P216-D219 VanDerWaalsContact O-N 3.07Å; P216-L220 HydrophobicContact CB-CD1 4.14Å; P216-L220 PolarHBondContact O-N 3.45Å; P216-W224 HydrophobicContact CB-CH2 4.26Å; P216-W224 HydrophobicContact CG-CH2 3.7Å; P216-W224 HydrophobicContact CG-CZ3 3.93Å
217A92.1Very high93.5Very high0 Ų034.6 Ų34.60%016%0.163CC..THydrogen-bonded Turntrans-65.3-27.2-174.300000114.6I209 R212 L214 D219 W224I209-A217 HydrophobicContact CD1-CB 4.24Å; I209-A217 HydrophobicContact CG2-CB 4.09Å; I209-A217 WeakPolarHBondContact O-CB 3.45Å; R212-A217 HydrophobicContact CB-CB 4.43Å; R212-A217 HydrophobicContact CG-CB 4.3Å; R212-A217 PolarHBondContact NE-O 3.39Å; L214-A217 WeakPolarHBondContact O-CA 3.27Å; L214-A217 WeakPolarHBondContact O-CB 3.24Å; L214-A217 PolarHBondContact O-N 3.34Å; A217-D219 VanDerWaalsContact C-N 3.31Å; A217-W224 VanDerWaalsContact CA-CE2 3.45Å; A217-W224 HydrophobicContact CB-CB 4.37Å; A217-W224 HydrophobicContact CB-CD2 3.52Å; A217-W224 HydrophobicContact CB-CE3 4.13Å; A217-W224 HydrophobicContact CB-CG 3.59Å; A217-W224 HydrophobicContact CB-CZ2 4.43Å
218C90.4Very high93.7Very high1 Ų128.8 Ų28.81%0.00714%0.142CC..THydrogen-bonded Turntrans-75.8-13.717566.10000114.6R170 K172 Q176 R212 L214 P216R170-C218 PolarHBondContact O-SG 3.26Å; K172-C218 HydrophobicContact CB-CB 4.17Å; K172-C218 HydrophobicContact CD-CB 4.1Å; K172-C218 HydrophobicContact CG-CB 4.1Å; K172-C218 PolarHBondContact NZ-O 3.43Å; Q176-C218 PolarHBondContact NE2-O 2.8Å; R212-C218 VanDerWaalsContact O-CA 3.26Å; R212-C218 WeakPolarHBondContact O-CA 3.42Å; R212-C218 VanDerWaalsContact O-CB 3.24Å; R212-C218 WeakPolarHBondContact O-CB 3.24Å; L214-C218 PolarHBondContact O-N 3.14Å; P216-C218 VanDerWaalsContact C-N 3.27Å; P216-C218 PolarHBondContact O-N 3.5Å
219D89.9Confident93.8Very high55 Ų5528.7 Ų28.729%0.29414%0.138SC..THydrogen-bonded Turntrans-107.2-24.1-177.5-83.8-13.1000113R170 K172 Y215 P216 A217R170-D219 IonicContact CZ-OD2 3.49Å; R170-D219 IonicContact NE-OD2 3.6Å; R170-D219 IonicContact NH2-OD2 2.68Å; R170-D219 PolarHBondContact NH2-OD2 3.1Å; K172-D219 WeakPolarHBondContact CE-OD1 3.44Å; K172-D219 IonicContact NZ-OD1 2.6Å; K172-D219 PolarHBondContact NZ-OD1 3.49Å; Y215-D219 HydrophobicContact CD2-CB 4.31Å; Y215-D219 WeakPolarHBondContact CD2-OD2 3.34Å; Y215-D219 HydrophobicContact CE2-CB 4.36Å; Y215-D219 WeakPolarHBondContact CE2-OD2 3.5Å; P216-D219 PolarHBondContact O-N 3.18Å; P216-D219 VanDerWaalsContact O-N 3.07Å; A217-D219 VanDerWaalsContact C-N 3.31Å
220L87.2Confident93.9Very high38 Ų3828.7 Ų28.720%0.19914%0.138CC..SBendtrans-115.6126.3-172.4-64.4177.4000110.3F134 L160 R212 P216 W224F134-L220 HydrophobicContact CD1-CD1 4.15Å; F134-L220 HydrophobicContact CD2-CD1 3.98Å; F134-L220 HydrophobicContact CE1-CD1 4.32Å; F134-L220 HydrophobicContact CE2-CD1 4.17Å; F134-L220 HydrophobicContact CE2-CD2 4.28Å; F134-L220 HydrophobicContact CG-CD1 3.98Å; F134-L220 HydrophobicContact CZ-CD1 4.33Å; F134-L220 HydrophobicContact CZ-CD2 4.26Å; L160-L220 HydrophobicContact CD2-CD1 4.49Å; R212-L220 PolarHBondContact NH2-O 3.17Å; P216-L220 HydrophobicContact CB-CD1 4.14Å; P216-L220 PolarHBondContact O-N 3.45Å; L220-W224 HydrophobicContact CB-CZ2 3.78Å; L220-W224 HydrophobicContact CD1-CH2 4.18Å; L220-W224 HydrophobicContact CD1-CZ2 4.05Å; L220-W224 PolarHBondContact O-NE1 3.05Å
221P86.3Confident94.1Very high54 Ų5426 Ų2635%0.35113%0.126SC..  trans-72.4142.3175.731.6-34.1000110.7C182 H186C182-P221 HydrophobicContact CB-CB 4.49Å; H186-P221 PolarHBondContact NE2-O 2.64Å
222G88.9Confident94.3Very high8 Ų824.9 Ų24.98%0.08212%0.116CC..SBendtrans141.8177-179.800000112.1T184T184-G222 WeakPolarHBondContact O-CA 3.42Å
223R92.6Very high94.6Very high120 Ų12024.1 Ų24.145%0.45311%0.114SC..EExtended strand (participates in β ladder)trans-93.4122177.8-176.4175.8174.5-178.8-2.1109.9T184 P185 H186 F225T184-R223 PolarHBondContact O-N 3.32Å; P185-R223 CarbonylContact C-O 3.58Å; P185-R223 WeakPolarHBondContact CA-O 3.34Å; H186-R223 PolarHBondContact N-O 3.34Å; R223-F225 HydrophobicContact CB-CE2 4.49Å; R223-F225 HydrophobicContact CG-CE2 3.83Å; R223-F225 HydrophobicContact CG-CZ 4.22Å; R223-F225 VanDerWaalsContact NE-CZ 3.33Å
224W95.6Very high94.8Very high13 Ų1317.8 Ų17.85%0.0499%0.09CC..EExtended strand (participates in β ladder)trans-100.6125.3-175-73.283.8000112.1F134 C136 H186 F188 I209 P216 A217 L220F134-W224 HydrophobicContact CB-CH2 4.43Å; C136-W224 HydrophobicContact CB-CH2 4.5Å; C136-W224 HydrophobicContact CB-CZ3 4.14Å; H186-W224 HydrophobicContact CB-CD2 3.8Å; H186-W224 HydrophobicContact CB-CE3 3.79Å; H186-W224 HydrophobicContact CB-CG 4.41Å; H186-W224 HydrophobicContact CB-CH2 3.92Å; H186-W224 HydrophobicContact CB-CZ2 3.92Å; H186-W224 HydrophobicContact CB-CZ3 3.87Å; H186-W224 AromaticContact CD2-CE2 3.57Å; H186-W224 AromaticContact CD2-CZ2 3.52Å; H186-W224 AromaticContact CD2-NE1 3.71Å; H186-W224 AromaticContact CG-CZ2 3.97Å; F188-W224 HydrophobicContact CB-CE3 4.05Å; F188-W224 HydrophobicContact CB-CZ3 4.13Å; I209-W224 HydrophobicContact CG2-CB 4.13Å; I209-W224 HydrophobicContact CG2-CE3 4.24Å; P216-W224 HydrophobicContact CB-CH2 4.26Å; P216-W224 HydrophobicContact CG-CH2 3.7Å; P216-W224 HydrophobicContact CG-CZ3 3.93Å; A217-W224 VanDerWaalsContact CA-CE2 3.45Å; A217-W224 HydrophobicContact CB-CB 4.37Å; A217-W224 HydrophobicContact CB-CD2 3.52Å; A217-W224 HydrophobicContact CB-CE3 4.13Å; A217-W224 HydrophobicContact CB-CG 3.59Å; A217-W224 HydrophobicContact CB-CZ2 4.43Å; L220-W224 HydrophobicContact CB-CZ2 3.78Å; L220-W224 HydrophobicContact CD1-CH2 4.18Å; L220-W224 HydrophobicContact CD1-CZ2 4.05Å; L220-W224 PolarHBondContact O-NE1 3.05Å
225F98.3Very high94.9Very high2 Ų217.2 Ų17.21%0.0099%0.089CC..EExtended strand (participates in β ladder)trans-107.6147.8169.5-63.3-95.9000109.5F121 P185 H186 L187 F188 R223 D247 F248 A272 I275F121-F225 HydrophobicContact CE2-CB 4.15Å; F121-F225 AromaticContact CE2-CD2 3.95Å; F121-F225 HydrophobicContact CE2-CD2 3.95Å; F121-F225 HydrophobicContact CE2-CG 4.08Å; F121-F225 HydrophobicContact CZ-CB 4.43Å; F121-F225 AromaticContact CZ-CD2 3.8Å; F121-F225 HydrophobicContact CZ-CD2 3.8Å; F121-F225 HydrophobicContact CZ-CE2 4.43Å; F121-F225 HydrophobicContact CZ-CG 4.33Å; P185-F225 HydrophobicContact CB-CD2 4.36Å; P185-F225 HydrophobicContact CB-CE2 3.95Å; H186-F225 PolarHBondContact O-N 3.35Å; L187-F225 HydrophobicContact CD1-CB 4.04Å; F188-F225 PolarHBondContact N-O 2.88Å; R223-F225 HydrophobicContact CB-CE2 4.49Å; R223-F225 HydrophobicContact CG-CE2 3.83Å; R223-F225 HydrophobicContact CG-CZ 4.22Å; R223-F225 VanDerWaalsContact NE-CZ 3.33Å; F225-D247 WeakPolarHBondContact CA-OD2 3.4Å; F225-D247 HydrophobicContact CB-CB 4.33Å; F225-D247 HydrophobicContact CD1-CB 4.12Å; F225-F248 HydrophobicContact CB-CE2 4.03Å; F225-F248 HydrophobicContact CD1-CE2 4.38Å; F225-F248 HydrophobicContact CG-CE2 4.48Å; F225-A272 HydrophobicContact CD1-CB 4.19Å; F225-A272 HydrophobicContact CE1-CB 4.14Å; F225-I275 HydrophobicContact CD1-CG2 4.48Å; F225-I275 HydrophobicContact CE1-CB 4.23Å; F225-I275 HydrophobicContact CE1-CG1 4.31Å; F225-I275 HydrophobicContact CE1-CG2 4.13Å; F225-I275 HydrophobicContact CE2-CD1 4.21Å; F225-I275 HydrophobicContact CE2-CG1 3.97Å; F225-I275 HydrophobicContact CZ-CB 4.07Å; F225-I275 HydrophobicContact CZ-CD1 3.94Å; F225-I275 HydrophobicContact CZ-CG1 3.71Å; F225-I275 HydrophobicContact CZ-CG2 4.34Å
226V98.8Very high95Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-117.8123.9-177.7-177.40000110.5F188 Y190 V206 I209 Q210 D247 F248F188-V226 WeakPolarHBondContact O-CA 3.41Å; Y190-V226 HydrophobicContact CD1-CG1 4.15Å; Y190-V226 HydrophobicContact CE1-CG1 3.79Å; V206-V226 HydrophobicContact CB-CG1 4.42Å; V206-V226 HydrophobicContact CG1-CB 4.29Å; V206-V226 HydrophobicContact CG1-CG1 4.37Å; V206-V226 HydrophobicContact CG2-CG1 3.97Å; I209-V226 HydrophobicContact CB-CG2 3.77Å; I209-V226 HydrophobicContact CG2-CG2 3.52Å; Q210-V226 HydrophobicContact CG-CG2 3.95Å; V226-D247 PolarHBondContact N-OD2 2.7Å; V226-D247 WeakPolarHBondContact O-CB 3.49Å; V226-D247 PolarHBondContact O-N 3.17Å; V226-F248 PolarHBondContact O-N 2.72Å
227L98.8Very high95.1Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-102.3118.6166.4-175.8154.6000109.1L114 V117 L187 F188 C189 Y190 F248 P250L114-L227 HydrophobicContact CD2-CD1 3.85Å; L114-L227 HydrophobicContact CD2-CD2 3.52Å; L114-L227 HydrophobicContact CD2-CG 4.35Å; V117-L227 HydrophobicContact CB-CD1 4.11Å; V117-L227 HydrophobicContact CG1-CD1 4Å; V117-L227 HydrophobicContact CG2-CD1 4.02Å; L187-L227 HydrophobicContact CD1-CB 4.12Å; F188-L227 PolarHBondContact O-N 3.04Å; C189-L227 WeakPolarHBondContact CA-O 3.5Å; C189-L227 HydrophobicContact CB-CD2 4.38Å; Y190-L227 PolarHBondContact N-O 3.06Å; Y190-L227 VanDerWaalsContact N-O 3.16Å; L227-F248 CarbonylContact C-O 3.3Å; L227-F248 VanDerWaalsContact CA-O 3.29Å; L227-F248 WeakPolarHBondContact CA-O 3.33Å; L227-F248 HydrophobicContact CB-CB 4.05Å; L227-F248 HydrophobicContact CB-CD2 4.39Å; L227-F248 HydrophobicContact CD1-CB 4.01Å; L227-F248 HydrophobicContact CG-CB 3.91Å; L227-P250 HydrophobicContact CD2-CG 3.91Å; L227-P250 HydrophobicContact CG-CG 4.45Å
228L98.8Very high95.4Very high0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-98.8103.4177.4-177.872.8000109.6Y190 A192 L203 A230 L239 A246 F248 I249 P250Y190-L228 HydrophobicContact CD1-CD1 4.31Å; Y190-L228 HydrophobicContact CD2-CD1 4.21Å; Y190-L228 HydrophobicContact CE1-CD1 3.74Å; Y190-L228 HydrophobicContact CE2-CD1 3.63Å; A192-L228 HydrophobicContact CB-CD1 3.86Å; A192-L228 HydrophobicContact CB-CD2 4.24Å; A192-L228 HydrophobicContact CB-CG 4.02Å; L203-L228 HydrophobicContact CD2-CD2 4.09Å; L228-A230 PolarHBondContact O-N 3.24Å; L228-L239 HydrophobicContact CD2-CD1 4.31Å; L228-A246 HydrophobicContact CB-CB 3.81Å; L228-F248 PolarHBondContact N-O 3.13Å; L228-I249 HydrophobicContact CB-CG1 4.44Å; L228-P250 WeakPolarHBondContact O-CD 3.12Å
229D98.7Very high95.7Very high10 Ų1020.1 Ų20.15%0.05311%0.11CC..EExtended strand (participates in β ladder)trans-70.299.6174179.42.6000109.7V145 Y190 P191 A192 A231V145-D229 HydrophobicContact CG2-CB 4.4Å; Y190-D229 PolarHBondContact O-N 3.41Å; P191-D229 CarbonylContact C-O 3.55Å; P191-D229 WeakPolarHBondContact CA-O 3.49Å; A192-D229 PolarHBondContact N-O 3.38Å; D229-A231 WeakPolarHBondContact OD1-CB 3.31Å; D229-A231 PolarHBondContact OD1-N 2.98Å; D229-A231 VanDerWaalsContact OD1-N 3.13Å
230A98.3Very high96.1Very high0 Ų018.4 Ų18.40%010%0.102CC..  trans-93.8-1.9-174.300000113L228 S232 H233 V234 L239 I249 I251L228-A230 PolarHBondContact O-N 3.24Å; A230-S232 VanDerWaalsContact C-N 3.28Å; A230-S232 PolarHBondContact O-N 3.38Å; A230-S232 VanDerWaalsContact O-N 3.12Å; A230-H233 PolarHBondContact O-N 3.36Å; A230-V234 HydrophobicContact CB-CG1 3.87Å; A230-V234 WeakPolarHBondContact O-CG2 3.29Å; A230-V234 PolarHBondContact O-N 3.22Å; A230-L239 HydrophobicContact CB-CD2 3.89Å; A230-I249 HydrophobicContact CB-CG2 3.55Å; A230-I251 HydrophobicContact CB-CG2 4.09Å
231A97.4Very high96.5Very high4 Ų416.8 Ų16.83%0.0339%0.094CC..THydrogen-bonded Turntrans-61-30.8-166.500000114.7C110 D229 K255C110-A231 HydrophobicContact CB-CB 3.89Å; D229-A231 WeakPolarHBondContact OD1-CB 3.31Å; D229-A231 PolarHBondContact OD1-N 2.98Å; D229-A231 VanDerWaalsContact OD1-N 3.13Å; A231-K255 HydrophobicContact CB-CD 4.4Å; A231-K255 WeakPolarHBondContact O-CD 3.25Å
232S97.8Very high96.8Very high16 Ų1619.1 Ų19.111%0.11210%0.1CC..THydrogen-bonded Turntrans-83.9-31.8175.1-173.70000112.4Q193 A230Q193-S232 PolarHBondContact NE2-O 2.83Å; Q193-S232 VanDerWaalsContact NE2-O 3.13Å; Q193-S232 PolarHBondContact NE2-OG 2.87Å; Q193-S232 VanDerWaalsContact O-CB 3.25Å; Q193-S232 WeakPolarHBondContact O-CB 3.32Å; A230-S232 VanDerWaalsContact C-N 3.28Å; A230-S232 PolarHBondContact O-N 3.38Å; A230-S232 VanDerWaalsContact O-N 3.12Å
233H98.4Very high96.8Very high12 Ų1223.3 Ų23.36%0.05612%0.121CC..THydrogen-bonded Turntrans-73.6-49.7-174.2-178.792.4000112.1A192 Q193 A230 G235 C236 S237 P238A192-H233 HydrophobicContact CB-CB 3.61Å; Q193-H233 HydrophobicContact CB-CB 3.79Å; A230-H233 PolarHBondContact O-N 3.36Å; H233-G235 PolarHBondContact O-N 3.4Å; H233-G235 VanDerWaalsContact O-N 3.14Å; H233-C236 PolarHBondContact O-N 3.05Å; H233-S237 VanDerWaalsContact O-CB 3.3Å; H233-S237 WeakPolarHBondContact O-CB 3.39Å; H233-S237 PolarHBondContact O-N 3.21Å; H233-S237 PolarHBondContact O-OG 2.99Å; H233-P238 PolarHBondContact NE2-O 3.33Å
234V98.1Very high96.9Very high1 Ų117.6 Ų17.61%0.00610%0.099CC..THydrogen-bonded Turntrans-71.1-10.8-170.9-58.70000113.8F95 A230 C236 L239 I251 I256 M333F95-V234 HydrophobicContact CE1-CB 4.25Å; F95-V234 HydrophobicContact CE1-CG1 3.63Å; F95-V234 HydrophobicContact CZ-CG1 4.23Å; A230-V234 HydrophobicContact CB-CG1 3.87Å; A230-V234 WeakPolarHBondContact O-CG2 3.29Å; A230-V234 PolarHBondContact O-N 3.22Å; V234-C236 VanDerWaalsContact C-N 3.29Å; V234-C236 PolarHBondContact O-N 3.16Å; V234-L239 HydrophobicContact CG1-CB 4.18Å; V234-L239 HydrophobicContact CG1-CD2 3.89Å; V234-I251 HydrophobicContact CG2-CG2 4.18Å; V234-I256 HydrophobicContact CB-CD1 4.18Å; V234-I256 HydrophobicContact CB-CG1 4.41Å; V234-I256 HydrophobicContact CG2-CD1 3.68Å; V234-I256 HydrophobicContact CG2-CG1 3.81Å; V234-M333 WeakPolarHBondContact O-CE 3.46Å
235G96.9Very high96.8Very high9 Ų918.5 Ų18.59%0.09311%0.106CC..THydrogen-bonded Turntrans-68.7-27.6174.700000113.3H233 K255H233-G235 PolarHBondContact O-N 3.4Å; H233-G235 VanDerWaalsContact O-N 3.14Å; G235-K255 WeakPolarHBondContact CA-O 3.36Å
236C96.9Very high96.8Very high15 Ų1518.4 Ų18.410%0.10111%0.106CC..THydrogen-bonded Turntrans-142.43.5-175.4-61.90000114.3H233 V234 I336 Q337 F460H233-C236 PolarHBondContact O-N 3.05Å; V234-C236 VanDerWaalsContact C-N 3.29Å; V234-C236 PolarHBondContact O-N 3.16Å; C236-I336 HydrophobicContact CB-CG2 4.3Å; C236-Q337 WeakPolarHBondContact O-CA 3.18Å; C236-Q337 WeakPolarHBondContact O-CB 3.41Å; C236-Q337 PolarHBondContact O-N 3.43Å; C236-F460 PolarHBondContact SG-O 2.82Å
237S97.7Very high96.8Very high2 Ų219.2 Ų19.21%0.01411%0.11CC..SBendtrans-136.5143.7-174.8-50.70000111.7K200 H233K200-S237 WeakPolarHBondContact CE-OG 3.36Å; K200-S237 PolarHBondContact NZ-OG 2.73Å; H233-S237 VanDerWaalsContact O-CB 3.3Å; H233-S237 WeakPolarHBondContact O-CB 3.39Å; H233-S237 PolarHBondContact O-N 3.21Å; H233-S237 PolarHBondContact O-OG 2.99Å
238P97.4Very high96.8Very high53 Ų5319.2 Ų19.234%0.34411%0.11SC..  trans-65.7145.9173.428.8-34.2000110.7H233 M333H233-P238 PolarHBondContact NE2-O 3.33Å; P238-M333 HydrophobicContact CB-CB 3.98Å
239L97.8Very high96.8Very high10 Ų1019.3 Ų19.35%0.05211%0.111CC..  trans-135.3122.4171.2178.364000108.4F95 L203 L228 A230 V234 I249F95-L239 WeakPolarHBondContact CA-O 3.37Å; F95-L239 HydrophobicContact CD1-CB 4.09Å; F95-L239 HydrophobicContact CD1-CD2 4.14Å; F95-L239 HydrophobicContact CD1-CG 4.29Å; F95-L239 HydrophobicContact CE1-CB 4.35Å; F95-L239 HydrophobicContact CE1-CD2 4.22Å; L203-L239 HydrophobicContact CD1-CD1 3.78Å; L203-L239 HydrophobicContact CD2-CD1 4.16Å; L228-L239 HydrophobicContact CD2-CD1 4.31Å; A230-L239 HydrophobicContact CB-CD2 3.89Å; V234-L239 HydrophobicContact CG1-CB 4.18Å; V234-L239 HydrophobicContact CG1-CD2 3.89Å; L239-I249 HydrophobicContact CD2-CG2 4.34Å
240S96.9Very high96.8Very high20 Ų2018.8 Ų18.814%0.1411%0.108CC..  trans-113.1118.9178167.10000108.6N96 Q242 D243 C244N96-S240 PolarHBondContact ND2-OG 2.75Å; S240-Q242 VanDerWaalsContact C-N 3.27Å; S240-Q242 PolarHBondContact O-N 3.29Å; S240-D243 WeakPolarHBondContact CB-OD2 3.41Å; S240-D243 PolarHBondContact O-N 2.92Å; S240-D243 PolarHBondContact OG-OD2 2.81Å; S240-C244 PolarHBondContact O-N 3.3Å
241L96.5Very high96.8Very high3 Ų318.8 Ų18.82%0.01611%0.108CC..THydrogen-bonded Turntrans-77.9-12.5-179.4-66.2177.3000113.1F95 T97 Y102 D243 C244 I249 L267F95-L241 HydrophobicContact CB-CD1 3.87Å; F95-L241 HydrophobicContact CB-CG 4.05Å; F95-L241 PolarHBondContact O-N 3.17Å; T97-L241 HydrophobicContact CG2-CB 4.27Å; T97-L241 HydrophobicContact CG2-CD1 3.84Å; Y102-L241 HydrophobicContact CD1-CD1 4.08Å; Y102-L241 HydrophobicContact CD2-CB 4.44Å; Y102-L241 HydrophobicContact CD2-CD1 4.25Å; Y102-L241 HydrophobicContact CE1-CD1 4.06Å; Y102-L241 HydrophobicContact CE2-CB 3.87Å; Y102-L241 HydrophobicContact CE2-CD1 4.21Å; Y102-L241 HydrophobicContact CG-CD1 4.18Å; L241-D243 VanDerWaalsContact C-N 3.32Å; L241-C244 CarbonylContact O-C 3.55Å; L241-I249 HydrophobicContact CD1-CD1 4.36Å; L241-I249 HydrophobicContact CD2-CD1 3.81Å; L241-I249 HydrophobicContact CD2-CG1 3.95Å; L241-L267 HydrophobicContact CD1-CD2 3.71Å
242Q92.2Very high96.9Very high103 Ų10318.9 Ų18.948%0.48111%0.108SC..THydrogen-bonded Turntrans-64.8-37.1165.7-72.417335.500111.7N96 R207 S240N96-Q242 VanDerWaalsContact CG-NE2 3.33Å; N96-Q242 PolarHBondContact ND2-NE2 3.41Å; N96-Q242 WeakPolarHBondContact O-CG 3.15Å; N96-Q242 PolarHBondContact O-NE2 3.17Å; N96-Q242 PolarHBondContact OD1-NE2 3.5Å; N96-Q242 VanDerWaalsContact OD1-NE2 3.15Å; R207-Q242 PolarHBondContact NH2-O 3.42Å; R207-Q242 VanDerWaalsContact NH2-O 3.15Å; S240-Q242 VanDerWaalsContact C-N 3.27Å; S240-Q242 PolarHBondContact O-N 3.29Å
243D89.9Confident96.9Very high97 Ų9718.1 Ų18.152%0.51910%0.103SC..THydrogen-bonded Turntrans-85.8-23-178.8-59-57.6000112.6R207 S240 L241R207-D243 PolarHBondContact NH1-O 2.89Å; R207-D243 PolarHBondContact NH2-O 3.32Å; S240-D243 WeakPolarHBondContact CB-OD2 3.41Å; S240-D243 PolarHBondContact O-N 2.92Å; S240-D243 PolarHBondContact OG-OD2 2.81Å; L241-D243 VanDerWaalsContact C-N 3.32Å
244C93.4Very high96.9Very high0 Ų020.6 Ų20.60%011%0.112CC..  trans-134.182.4-173.3-168.80000110.4L203 V206 S240 L241 A246L203-C244 HydrophobicContact CB-CB 4.01Å; L203-C244 HydrophobicContact CD1-CB 4.23Å; V206-C244 WeakPolarHBondContact CG2-SG 3.21Å; S240-C244 PolarHBondContact O-N 3.3Å; L241-C244 CarbonylContact O-C 3.55Å; C244-A246 PolarHBondContact O-N 2.73Å
245P94.8Very high96.9Very high31 Ų3121.9 Ų21.920%0.20112%0.118CC..  trans-80.360.5-174.834.1-36.9000111.7Y102 V206 R207 Q210Y102-P245 VanDerWaalsContact OH-CA 3.26Å; Y102-P245 WeakPolarHBondContact OH-CA 3.41Å; V206-P245 WeakPolarHBondContact CG1-O 3.41Å; R207-P245 HydrophobicContact CG-CG 4.15Å; Q210-P245 PolarHBondContact NE2-O 3.26Å
246A98.1Very high96.9Very high0 Ų021.5 Ų21.50%011%0.114CC..  trans-70.8142.7178.500000110.7Y102 V206 L228 C244 F248 I249Y102-A246 WeakPolarHBondContact CE1-O 3.5Å; Y102-A246 PolarHBondContact OH-N 3.01Å; Y102-A246 PolarHBondContact OH-O 3.32Å; V206-A246 HydrophobicContact CG1-CB 4.16Å; V206-A246 HydrophobicContact CG2-CB 4.03Å; L228-A246 HydrophobicContact CB-CB 3.81Å; C244-A246 PolarHBondContact O-N 2.73Å; A246-F248 VanDerWaalsContact C-N 3.32Å; A246-F248 PolarHBondContact O-N 3.44Å; A246-I249 HydrophobicContact CB-CD1 3.92Å; A246-I249 HydrophobicContact CB-CG1 3.89Å; A246-I249 WeakPolarHBondContact O-CD1 3.48Å
247D98.7Very high97Very high18 Ų1820.9 Ų20.910%0.09611%0.109CC..SBendtrans-67.5-36.2-178.5-57.7-83.9000111.8Q210 F225 V226 V268 H269 A272Q210-D247 PolarHBondContact NE2-OD2 3.46Å; F225-D247 WeakPolarHBondContact CA-OD2 3.4Å; F225-D247 HydrophobicContact CB-CB 4.33Å; F225-D247 HydrophobicContact CD1-CB 4.12Å; V226-D247 PolarHBondContact N-OD2 2.7Å; V226-D247 WeakPolarHBondContact O-CB 3.49Å; V226-D247 PolarHBondContact O-N 3.17Å; D247-V268 WeakPolarHBondContact O-CA 3.43Å; D247-H269 PolarHBondContact O-N 2.98Å; D247-A272 HydrophobicContact CB-CB 3.86Å
248F98.8Very high96.9Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-139.6129.2-175.9-50.3-63.8000111.7V117 F121 L187 F225 V226 L227 L228 A246 L266 L267 V268 A272 I275 L276V117-F248 HydrophobicContact CG1-CD2 4.3Å; V117-F248 HydrophobicContact CG2-CB 4.35Å; V117-F248 HydrophobicContact CG2-CD1 4.37Å; V117-F248 HydrophobicContact CG2-CG 4.26Å; F121-F248 HydrophobicContact CD2-CE2 4.34Å; F121-F248 HydrophobicContact CE2-CE2 4.19Å; L187-F248 HydrophobicContact CD1-CD2 3.9Å; L187-F248 HydrophobicContact CD1-CE2 3.98Å; F225-F248 HydrophobicContact CB-CE2 4.03Å; F225-F248 HydrophobicContact CD1-CE2 4.38Å; F225-F248 HydrophobicContact CG-CE2 4.48Å; V226-F248 PolarHBondContact O-N 2.72Å; L227-F248 CarbonylContact C-O 3.3Å; L227-F248 VanDerWaalsContact CA-O 3.29Å; L227-F248 WeakPolarHBondContact CA-O 3.33Å; L227-F248 HydrophobicContact CB-CB 4.05Å; L227-F248 HydrophobicContact CB-CD2 4.39Å; L227-F248 HydrophobicContact CD1-CB 4.01Å; L227-F248 HydrophobicContact CG-CB 3.91Å; L228-F248 PolarHBondContact N-O 3.13Å; A246-F248 VanDerWaalsContact C-N 3.32Å; A246-F248 PolarHBondContact O-N 3.44Å; F248-L266 HydrophobicContact CB-CD1 4.13Å; F248-L267 CarbonylContact C-O 3.51Å; F248-L267 WeakPolarHBondContact CA-O 3.36Å; F248-V268 HydrophobicContact CD1-CG1 4.03Å; F248-V268 HydrophobicContact CD1-CG2 4.27Å; F248-V268 HydrophobicContact CE1-CG1 3.9Å; F248-A272 HydrophobicContact CE1-CB 4.38Å; F248-A272 HydrophobicContact CZ-CB 4.31Å; F248-I275 HydrophobicContact CZ-CG2 3.74Å; F248-L276 HydrophobicContact CD1-CD1 4.17Å; F248-L276 HydrophobicContact CE1-CD1 3.62Å; F248-L276 HydrophobicContact CE1-CD2 3.92Å; F248-L276 HydrophobicContact CE1-CG 3.78Å; F248-L276 HydrophobicContact CZ-CD1 4.41Å; F248-L276 HydrophobicContact CZ-CD2 3.89Å; F248-L276 HydrophobicContact CZ-CG 4.11Å
249I98.8Very high96.9Very high1 Ų120.7 Ų20.71%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-131.998.1-179.8-51.790.6000110.3Y102 L228 A230 L239 L241 A246 I251 L267Y102-I249 HydrophobicContact CD1-CD1 4.26Å; Y102-I249 HydrophobicContact CE1-CD1 3.54Å; L228-I249 HydrophobicContact CB-CG1 4.44Å; A230-I249 HydrophobicContact CB-CG2 3.55Å; L239-I249 HydrophobicContact CD2-CG2 4.34Å; L241-I249 HydrophobicContact CD1-CD1 4.36Å; L241-I249 HydrophobicContact CD2-CD1 3.81Å; L241-I249 HydrophobicContact CD2-CG1 3.95Å; A246-I249 HydrophobicContact CB-CD1 3.92Å; A246-I249 HydrophobicContact CB-CG1 3.89Å; A246-I249 WeakPolarHBondContact O-CD1 3.48Å; I249-I251 HydrophobicContact CG2-CG2 4.24Å; I249-L267 HydrophobicContact CB-CB 4.22Å; I249-L267 HydrophobicContact CD1-CB 4.28Å; I249-L267 PolarHBondContact N-O 2.98Å; I249-L267 PolarHBondContact O-N 3.35Å
250P98.8Very high96.8Very high0 Ų020.3 Ų20.30%010%0.104CC..EExtended strand (participates in β ladder)trans-81.5137.517433.6-37.1000112C110 A113 L114 L227 L228 A265 L266C110-P250 HydrophobicContact CB-CB 4.33Å; A113-P250 HydrophobicContact CB-CB 3.57Å; L114-P250 HydrophobicContact CD2-CG 3.86Å; L114-P250 HydrophobicContact CG-CB 4.24Å; L114-P250 HydrophobicContact CG-CG 3.98Å; L227-P250 HydrophobicContact CD2-CG 3.91Å; L227-P250 HydrophobicContact CG-CG 4.45Å; L228-P250 WeakPolarHBondContact O-CD 3.12Å; P250-A265 WeakPolarHBondContact CA-O 3.4Å; P250-L266 HydrophobicContact CB-CD1 4.43Å
251I98.4Very high96.2Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-137.2165.2179.361.7171.9000112.4F95 C110 A230 V234 I249 F253 G264 A265 L267F95-I251 HydrophobicContact CE2-CD1 3.59Å; F95-I251 HydrophobicContact CZ-CD1 3.7Å; F95-I251 HydrophobicContact CZ-CG2 4.26Å; C110-I251 WeakPolarHBondContact CA-O 3.3Å; C110-I251 PolarHBondContact N-O 3.13Å; C110-I251 VanDerWaalsContact N-O 3.13Å; A230-I251 HydrophobicContact CB-CG2 4.09Å; V234-I251 HydrophobicContact CG2-CG2 4.18Å; I249-I251 HydrophobicContact CG2-CG2 4.24Å; I251-F253 HydrophobicContact CD1-CD1 4.33Å; I251-F253 HydrophobicContact CD1-CE1 3.65Å; I251-F253 HydrophobicContact CD1-CZ 3.85Å; I251-G264 WeakPolarHBondContact O-CA 3.32Å; I251-A265 HydrophobicContact CD1-CB 4.21Å; I251-A265 HydrophobicContact CG1-CB 3.96Å; I251-A265 PolarHBondContact N-O 3.1Å; I251-A265 PolarHBondContact O-N 2.97Å; I251-L267 HydrophobicContact CD1-CD1 3.79Å; I251-L267 HydrophobicContact CG1-CD1 4.11Å
252S98.5Very high96Very high5 Ų526 Ų264%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-132.2122.8171.3-54.90000110C110 Y254 K255C110-S252 WeakPolarHBondContact CB-OG 3.48Å; C110-S252 PolarHBondContact N-OG 3.15Å; S252-Y254 VanDerWaalsContact CB-CE1 3.5Å; S252-Y254 PolarHBondContact O-N 2.82Å; S252-K255 PolarHBondContact O-N 3.14Å
253F98.5Very high96.3Very high0 Ų021.3 Ų21.30%013%0.128CC..G310 helixtrans-71.6-30.2-171.8-66.8-66000113.1V91 F106 I251 K255 I256 F257 L263 A265 L319V91-F253 HydrophobicContact CG1-CZ 4.37Å; V91-F253 HydrophobicContact CG2-CE1 4.06Å; V91-F253 HydrophobicContact CG2-CZ 3.89Å; F106-F253 HydrophobicContact CD1-CE2 4.24Å; F106-F253 HydrophobicContact CE1-CE2 4.16Å; F106-F253 HydrophobicContact CE1-CZ 4.34Å; I251-F253 HydrophobicContact CD1-CD1 4.33Å; I251-F253 HydrophobicContact CD1-CE1 3.65Å; I251-F253 HydrophobicContact CD1-CZ 3.85Å; F253-K255 PolarHBondContact O-N 3.02Å; F253-K255 VanDerWaalsContact O-N 3.11Å; F253-I256 HydrophobicContact CD1-CD1 4.33Å; F253-I256 PolarHBondContact O-N 3.15Å; F253-F257 HydrophobicContact CB-CD2 4.09Å; F253-F257 HydrophobicContact CB-CE2 4.4Å; F253-F257 HydrophobicContact CD1-CD2 4.35Å; F253-F257 AromaticContact CD1-CE2 3.82Å; F253-F257 HydrophobicContact CD1-CE2 3.82Å; F253-F257 PolarHBondContact O-N 3.44Å; F253-L263 HydrophobicContact CD2-CB 4.27Å; F253-L263 HydrophobicContact CD2-CD2 4.09Å; F253-L263 HydrophobicContact CD2-CG 3.83Å; F253-L263 HydrophobicContact CE2-CD2 4.41Å; F253-L263 HydrophobicContact CE2-CG 4.19Å; F253-L263 PolarHBondContact N-O 3.19Å; F253-L263 VanDerWaalsContact N-O 3.14Å; F253-A265 HydrophobicContact CE2-CB 3.96Å; F253-A265 HydrophobicContact CZ-CB 3.9Å; F253-L319 HydrophobicContact CB-CD2 3.66Å; F253-L319 HydrophobicContact CD1-CD1 4.14Å; F253-L319 HydrophobicContact CD1-CD2 4.03Å; F253-L319 HydrophobicContact CD2-CD1 3.68Å; F253-L319 HydrophobicContact CD2-CD2 4.01Å; F253-L319 HydrophobicContact CD2-CG 4.48Å; F253-L319 HydrophobicContact CE1-CD1 4.02Å; F253-L319 HydrophobicContact CE2-CD1 3.55Å; F253-L319 HydrophobicContact CG-CD1 3.97Å; F253-L319 HydrophobicContact CG-CD2 3.64Å; F253-L319 HydrophobicContact CG-CG 4.48Å; F253-L319 HydrophobicContact CZ-CD1 3.72Å
254Y97.8Very high96.7Very high64 Ų6416.7 Ų16.725%0.25110%0.103SC..G310 helixtrans-63-17.217580.1-94000113.9A46 A47 T48 S252 G258 P260A46-Y254 WeakPolarHBondContact O-CE2 3.1Å; A47-Y254 HydrophobicContact CB-CD2 3.65Å; A47-Y254 HydrophobicContact CB-CE2 3.7Å; T48-Y254 PolarHBondContact N-O 2.98Å; S252-Y254 VanDerWaalsContact CB-CE1 3.5Å; S252-Y254 PolarHBondContact O-N 2.82Å; Y254-G258 WeakPolarHBondContact O-CA 3.43Å; Y254-G258 PolarHBondContact O-N 2.81Å; Y254-G258 VanDerWaalsContact O-N 3.07Å; Y254-P260 WeakPolarHBondContact CB-O 2.96Å
255K97.6Very high96.9Very high28 Ų2816.7 Ų16.712%0.12210%0.103CC..G310 helixtrans-82.2-21.3172.8-65.5-171.5175.7-173.30112.8T48 A231 G235 S252 F253T48-K255 WeakPolarHBondContact CG2-O 3.33Å; A231-K255 HydrophobicContact CB-CD 4.4Å; A231-K255 WeakPolarHBondContact O-CD 3.25Å; G235-K255 WeakPolarHBondContact CA-O 3.36Å; S252-K255 PolarHBondContact O-N 3.14Å; F253-K255 PolarHBondContact O-N 3.02Å; F253-K255 VanDerWaalsContact O-N 3.11Å
256I98.1Very high97.1Very high2 Ų215.2 Ų15.21%0.019%0.094CC..THydrogen-bonded Turntrans-92.7-46.9178.2-49.4175.7000110V234 F253 L326V234-I256 HydrophobicContact CB-CD1 4.18Å; V234-I256 HydrophobicContact CB-CG1 4.41Å; V234-I256 HydrophobicContact CG2-CD1 3.68Å; V234-I256 HydrophobicContact CG2-CG1 3.81Å; F253-I256 HydrophobicContact CD1-CD1 4.33Å; F253-I256 PolarHBondContact O-N 3.15Å; I256-L326 HydrophobicContact CG2-CD2 4.12Å
257F97.9Very high97.1Very high2 Ų215.2 Ų15.21%0.0099%0.094CC..THydrogen-bonded Turntrans-116.7-12.1-169.8-49.9-63.4000114.8Y50 F253 F259 L319 A322 F323 L326Y50-F257 WeakPolarHBondContact CA-O 3.45Å; Y50-F257 VanDerWaalsContact CB-O 3.24Å; Y50-F257 WeakPolarHBondContact CB-O 3.45Å; F253-F257 HydrophobicContact CB-CD2 4.09Å; F253-F257 HydrophobicContact CB-CE2 4.4Å; F253-F257 HydrophobicContact CD1-CD2 4.35Å; F253-F257 AromaticContact CD1-CE2 3.82Å; F253-F257 HydrophobicContact CD1-CE2 3.82Å; F253-F257 PolarHBondContact O-N 3.44Å; F257-F259 PolarHBondContact O-N 2.63Å; F257-F259 VanDerWaalsContact O-N 3.09Å; F257-L319 HydrophobicContact CD2-CD2 4.15Å; F257-L319 HydrophobicContact CE2-CD2 4.26Å; F257-A322 HydrophobicContact CB-CB 3.89Å; F257-A322 HydrophobicContact CD1-CB 3.89Å; F257-A322 HydrophobicContact CD2-CB 3.82Å; F257-A322 HydrophobicContact CE1-CB 4.38Å; F257-A322 HydrophobicContact CE2-CB 4.33Å; F257-A322 HydrophobicContact CG-CB 3.6Å; F257-F323 HydrophobicContact CE1-CD1 4.04Å; F257-F323 HydrophobicContact CE1-CE1 4.34Å; F257-F323 HydrophobicContact CE1-CG 4.5Å; F257-F323 HydrophobicContact CE2-CE1 4.24Å; F257-F323 HydrophobicContact CE2-CZ 4.23Å; F257-F323 AromaticContact CZ-CD1 3.53Å; F257-F323 HydrophobicContact CZ-CD1 3.53Å; F257-F323 HydrophobicContact CZ-CD2 4.43Å; F257-F323 AromaticContact CZ-CE1 3.45Å; F257-F323 HydrophobicContact CZ-CE1 3.45Å; F257-F323 VanDerWaalsContact CZ-CE1 3.45Å; F257-F323 HydrophobicContact CZ-CE2 4.35Å; F257-F323 HydrophobicContact CZ-CG 4.04Å; F257-F323 AromaticContact CZ-CZ 3.88Å; F257-F323 HydrophobicContact CZ-CZ 3.88Å; F257-L326 HydrophobicContact CD1-CB 4.09Å; F257-L326 HydrophobicContact CD1-CD2 4.05Å; F257-L326 HydrophobicContact CD1-CG 4.49Å; F257-L326 HydrophobicContact CE1-CB 3.97Å; F257-L326 HydrophobicContact CE1-CD2 3.55Å; F257-L326 HydrophobicContact CE1-CG 4.31Å
258G96.1Very high97.1Very high10 Ų1014.4 Ų14.410%0.1039%0.089CC..SBendtrans77.1-19.5-175.100000115.4T48 Y50 Y254T48-G258 WeakPolarHBondContact O-CA 3.18Å; Y50-G258 WeakPolarHBondContact CD1-O 3.25Å; Y254-G258 WeakPolarHBondContact O-CA 3.43Å; Y254-G258 PolarHBondContact O-N 2.81Å; Y254-G258 VanDerWaalsContact O-N 3.07Å
259F96.4Very high97.1Very high41 Ų4116.3 Ų16.318%0.1810%0.098CC..  trans-145141.6176.8175.3-95.8000109.5Y50 L54 L55 Y58 F257 A318Y50-F259 HydrophobicContact CD1-CB 3.8Å; Y50-F259 HydrophobicContact CG-CB 3.85Å; L54-F259 HydrophobicContact CD1-CD1 4.46Å; L54-F259 HydrophobicContact CD2-CD1 3.49Å; L54-F259 VanDerWaalsContact CD2-CD1 3.49Å; L54-F259 HydrophobicContact CD2-CE1 3.94Å; L54-F259 HydrophobicContact CD2-CG 4.47Å; L55-F259 HydrophobicContact CD2-CD1 4.05Å; L55-F259 HydrophobicContact CD2-CD2 4.2Å; L55-F259 HydrophobicContact CD2-CE1 3.99Å; L55-F259 HydrophobicContact CD2-CE2 4.22Å; L55-F259 HydrophobicContact CD2-CG 4.13Å; L55-F259 HydrophobicContact CD2-CZ 4.11Å; Y58-F259 HydrophobicContact CD1-CE1 4.01Å; Y58-F259 HydrophobicContact CD1-CZ 4.17Å; Y58-F259 HydrophobicContact CE1-CE1 4.14Å; Y58-F259 AromaticContact CE1-CZ 3.95Å; Y58-F259 HydrophobicContact CE1-CZ 3.95Å; F257-F259 PolarHBondContact O-N 2.63Å; F257-F259 VanDerWaalsContact O-N 3.09Å; F259-A318 HydrophobicContact CD1-CB 4.19Å; F259-A318 HydrophobicContact CE1-CB 3.54Å; F259-A318 HydrophobicContact CZ-CB 4.4Å
260P96.5Very high97Very high2 Ų218 Ų181%0.01311%0.107CC..  cis-83.9152.4-2.731.1-31.2000113.7Y254 G262 L263 D315Y254-P260 WeakPolarHBondContact CB-O 2.96Å; P260-G262 PolarHBondContact O-N 2.91Å; P260-L263 HydrophobicContact CG-CB 3.94Å; P260-L263 HydrophobicContact CG-CD2 4.14Å; P260-D315 HydrophobicContact CB-CB 4.04Å; P260-D315 WeakPolarHBondContact CB-OD1 3.32Å; P260-D315 HydrophobicContact CG-CB 3.67Å
261S83.7Confident96.9Very high104 Ų10424.4 Ų24.473%0.72714%0.141SC*.THydrogen-bonded Turntrans-85.58.6-171.854.60000116.1
262G92.8Very high96.8Very high38 Ų3824.4 Ų24.439%0.39214%0.142SC..THydrogen-bonded Turntrans-132.618.2-179.400000114.8S108 P260S108-G262 CarbonylContact C-O 3.59Å; S108-G262 VanDerWaalsContact CA-O 3.24Å; S108-G262 WeakPolarHBondContact CA-O 3.07Å; S108-G262 CarbonylContact O-C 3.56Å; P260-G262 PolarHBondContact O-N 2.91Å
263L98.1Very high96.7Very high5 Ų524.3 Ų24.33%0.02614%0.141CC..  trans-125.4137.1-177.1-168.467.8000111.4F106 F253 P260 D315 I316 L319F106-L263 HydrophobicContact CB-CD1 4.41Å; F106-L263 HydrophobicContact CD1-CD1 4.24Å; F253-L263 HydrophobicContact CD2-CB 4.27Å; F253-L263 HydrophobicContact CD2-CD2 4.09Å; F253-L263 HydrophobicContact CD2-CG 3.83Å; F253-L263 HydrophobicContact CE2-CD2 4.41Å; F253-L263 HydrophobicContact CE2-CG 4.19Å; F253-L263 PolarHBondContact N-O 3.19Å; F253-L263 VanDerWaalsContact N-O 3.14Å; P260-L263 HydrophobicContact CG-CB 3.94Å; P260-L263 HydrophobicContact CG-CD2 4.14Å; L263-D315 HydrophobicContact CB-CB 4.4Å; L263-D315 HydrophobicContact CD2-CB 4.04Å; L263-D315 WeakPolarHBondContact CD2-O 3.36Å; L263-I316 HydrophobicContact CD1-CG1 3.95Å; L263-I316 HydrophobicContact CD2-CB 4.43Å; L263-I316 HydrophobicContact CD2-CG1 3.84Å; L263-L319 HydrophobicContact CD2-CD1 3.58Å; L263-L319 HydrophobicContact CD2-CD2 4.18Å; L263-L319 HydrophobicContact CD2-CG 3.8Å
264G98.4Very high96.4Very high0 Ų026.3 Ų26.30%016%0.162CC..EExtended strand (participates in β ladder)trans-147.1-170.117000000110.4T107 I251T107-G264 PolarHBondContact N-O 3.36Å; T107-G264 CarbonylContact O-C 3.54Å; T107-G264 PolarHBondContact O-N 3.49Å; T107-G264 VanDerWaalsContact O-O 3.04Å; I251-G264 WeakPolarHBondContact O-CA 3.32Å
265A98.6Very high96.3Very high0 Ų025 Ų250%016%0.159CC..EExtended strand (participates in β ladder)trans-149.1156.6177.100000111.4V104 I105 P250 I251 F253 L267V104-A265 HydrophobicContact CG1-CB 3.74Å; I105-A265 CarbonylContact O-C 3.5Å; I105-A265 WeakPolarHBondContact O-CA 3.29Å; P250-A265 WeakPolarHBondContact CA-O 3.4Å; I251-A265 HydrophobicContact CD1-CB 4.21Å; I251-A265 HydrophobicContact CG1-CB 3.96Å; I251-A265 PolarHBondContact N-O 3.1Å; I251-A265 PolarHBondContact O-N 2.97Å; F253-A265 HydrophobicContact CE2-CB 3.96Å; F253-A265 HydrophobicContact CZ-CB 3.9Å; A265-L267 HydrophobicContact CB-CD1 4.35Å
266L98.8Very high96.2Very high0 Ų023.7 Ų23.70%015%0.153CC..EExtended strand (participates in β ladder)trans-108.4113.6160.5179.265.4000107.3I105 A113 L116 V117 F248 P250 V268I105-L266 HydrophobicContact CB-CB 4.3Å; I105-L266 HydrophobicContact CD1-CD2 4.26Å; I105-L266 PolarHBondContact N-O 3.34Å; I105-L266 PolarHBondContact O-N 3.13Å; A113-L266 HydrophobicContact CB-CB 3.78Å; A113-L266 HydrophobicContact CB-CD1 4.26Å; L116-L266 HydrophobicContact CD2-CD2 3.98Å; V117-L266 HydrophobicContact CG2-CD1 3.84Å; V117-L266 HydrophobicContact CG2-CD2 3.58Å; V117-L266 HydrophobicContact CG2-CG 4.38Å; F248-L266 HydrophobicContact CB-CD1 4.13Å; P250-L266 HydrophobicContact CB-CD1 4.43Å; L266-V268 HydrophobicContact CD2-CG2 3.69Å; L266-V268 HydrophobicContact CG-CG2 3.63Å
267L98.8Very high95.9Very high0 Ų029.3 Ų29.30%018%0.177CC..EExtended strand (participates in β ladder)trans-83.8131.6166.2-66.580.3000108V91 L92 F95 Y102 S103 V104 L241 F248 I249 I251 A265V91-L267 HydrophobicContact CG1-CD1 4.46Å; V91-L267 HydrophobicContact CG1-CD2 4.46Å; L92-L267 HydrophobicContact CD2-CD2 4.41Å; F95-L267 HydrophobicContact CB-CD2 4.36Å; F95-L267 HydrophobicContact CD2-CD1 4.39Å; F95-L267 HydrophobicContact CD2-CD2 3.53Å; F95-L267 HydrophobicContact CE2-CD1 4.18Å; F95-L267 HydrophobicContact CE2-CD2 4.15Å; F95-L267 HydrophobicContact CG-CD2 4.14Å; Y102-L267 HydrophobicContact CD1-CB 4.32Å; S103-L267 CarbonylContact O-C 3.58Å; S103-L267 WeakPolarHBondContact O-CA 3.39Å; V104-L267 HydrophobicContact CG2-CG 4.38Å; L241-L267 HydrophobicContact CD1-CD2 3.71Å; F248-L267 CarbonylContact C-O 3.51Å; F248-L267 WeakPolarHBondContact CA-O 3.36Å; I249-L267 HydrophobicContact CB-CB 4.22Å; I249-L267 HydrophobicContact CD1-CB 4.28Å; I249-L267 PolarHBondContact N-O 2.98Å; I249-L267 PolarHBondContact O-N 3.35Å; I251-L267 HydrophobicContact CD1-CD1 3.79Å; I251-L267 HydrophobicContact CG1-CD1 4.11Å; A265-L267 HydrophobicContact CB-CD1 4.35Å
268V98.6Very high95.4Very high0 Ų030.3 Ų30.30%018%0.182CC..EExtended strand (participates in β ladder)trans-124.9126.1-176.4-176.30000108.9Y102 S103 I105 D247 F248 L266 N270 A273 L276Y102-V268 VanDerWaalsContact CA-O 3.3Å; Y102-V268 WeakPolarHBondContact CA-O 3.34Å; Y102-V268 WeakPolarHBondContact CD1-O 3.45Å; S103-V268 PolarHBondContact N-O 3.49Å; S103-V268 PolarHBondContact O-N 3.45Å; I105-V268 HydrophobicContact CD1-CG2 3.66Å; D247-V268 WeakPolarHBondContact O-CA 3.43Å; F248-V268 HydrophobicContact CD1-CG1 4.03Å; F248-V268 HydrophobicContact CD1-CG2 4.27Å; F248-V268 HydrophobicContact CE1-CG1 3.9Å; L266-V268 HydrophobicContact CD2-CG2 3.69Å; L266-V268 HydrophobicContact CG-CG2 3.63Å; V268-N270 PolarHBondContact O-N 3.34Å; V268-A273 HydrophobicContact CG1-CB 3.81Å; V268-L276 HydrophobicContact CG1-CD1 4.48Å; V268-L276 HydrophobicContact CG2-CD1 4.44Å
269H98.3Very high94.8Very high40 Ų4035.5 Ų35.519%0.18522%0.217CC..EExtended strand (participates in β ladder)trans-64.1129.4171.4-168.3-76.7000108.9Y102 D247 D271 A272 A273Y102-H269 HydrophobicContact CD1-CB 4.2Å; Y102-H269 HydrophobicContact CE1-CB 3.71Å; Y102-H269 AromaticContact CE2-CD2 3.64Å; Y102-H269 AromaticContact CZ-CD2 3.52Å; D247-H269 PolarHBondContact O-N 2.98Å; H269-D271 VanDerWaalsContact C-N 3.27Å; H269-D271 IonicContact CE1-OD2 3.18Å; H269-D271 PolarHBondContact CE1-OD2 2.93Å; H269-D271 PolarHBondContact ND1-N 2.87Å; H269-D271 IonicContact ND1-OD2 2.7Å; H269-D271 PolarHBondContact O-N 3.36Å; H269-A272 HydrophobicContact CB-CB 4.29Å; H269-A272 CarbonylContact O-C 3.52Å; H269-A272 WeakPolarHBondContact O-CA 3.31Å; H269-A272 WeakPolarHBondContact O-CB 3.48Å; H269-A272 PolarHBondContact O-N 3.22Å; H269-A273 PolarHBondContact O-N 3.38Å
270N97.2Very high94.4Very high36 Ų3640.4 Ų40.419%0.19324%0.235CC..Hα-helixtrans-60.1-37.1-170.7-73.3-16.5000112.3S99 K100 E101 S103 V268 A272 A273 I302S99-N270 PolarHBondContact O-ND2 3.19Å; K100-N270 PolarHBondContact O-ND2 2.7Å; E101-N270 WeakPolarHBondContact O-CB 3.48Å; E101-N270 PolarHBondContact O-N 3.21Å; S103-N270 PolarHBondContact N-OD1 3.02Å; S103-N270 VanDerWaalsContact N-OD1 3.09Å; S103-N270 PolarHBondContact OG-OD1 3.47Å; V268-N270 PolarHBondContact O-N 3.34Å; N270-A272 PolarHBondContact O-N 3.44Å; N270-A273 WeakPolarHBondContact O-CB 3.12Å; N270-A273 PolarHBondContact O-N 3.01Å; N270-I302 HydrophobicContact CB-CD1 4.37Å
271D95.9Very high93.9Very high135 Ų13544 Ų4472%0.72225%0.25SS*.Hα-helixtrans-65.4-23.1174.6-63.1-18000114H269H269-D271 VanDerWaalsContact C-N 3.27Å; H269-D271 IonicContact CE1-OD2 3.18Å; H269-D271 PolarHBondContact CE1-OD2 2.93Å; H269-D271 PolarHBondContact ND1-N 2.87Å; H269-D271 IonicContact ND1-OD2 2.7Å; H269-D271 PolarHBondContact O-N 3.36Å
272A96.5Very high94.1Very high1 Ų139.6 Ų39.61%0.00822%0.222CC..Hα-helixtrans-91.8-20.7176.100000112.2F225 D247 F248 H269 N270 G274 I275F225-A272 HydrophobicContact CD1-CB 4.19Å; F225-A272 HydrophobicContact CE1-CB 4.14Å; D247-A272 HydrophobicContact CB-CB 3.86Å; F248-A272 HydrophobicContact CE1-CB 4.38Å; F248-A272 HydrophobicContact CZ-CB 4.31Å; H269-A272 HydrophobicContact CB-CB 4.29Å; H269-A272 CarbonylContact O-C 3.52Å; H269-A272 WeakPolarHBondContact O-CA 3.31Å; H269-A272 WeakPolarHBondContact O-CB 3.48Å; H269-A272 PolarHBondContact O-N 3.22Å; N270-A272 PolarHBondContact O-N 3.44Å; A272-G274 PolarHBondContact O-N 3.44Å; A272-G274 VanDerWaalsContact O-N 3.07Å; A272-I275 WeakPolarHBondContact O-CB 3.44Å; A272-I275 WeakPolarHBondContact O-CG2 3.3Å; A272-I275 PolarHBondContact O-N 3.15Å
273A95.3Very high93.7Very high2 Ų240.4 Ų40.42%0.01723%0.23CC..Hα-helixtrans-58.2-28.9-174.700000114V268 H269 N270 I275 L276 I302 R305V268-A273 HydrophobicContact CG1-CB 3.81Å; H269-A273 PolarHBondContact O-N 3.38Å; N270-A273 WeakPolarHBondContact O-CB 3.12Å; N270-A273 PolarHBondContact O-N 3.01Å; A273-I275 PolarHBondContact O-N 3.14Å; A273-L276 PolarHBondContact O-N 3.34Å; A273-I302 HydrophobicContact CB-CD1 3.58Å; A273-I302 HydrophobicContact CB-CG1 3.99Å; A273-I302 HydrophobicContact CB-CG2 3.9Å; A273-R305 PolarHBondContact O-NH1 2.87Å
274G93.9Very high93Very high43 Ų4342.1 Ų42.144%0.44325%0.249SC..THydrogen-bonded Turntrans-65.5-23.9176.700000114.2A272 L276 K277A272-G274 PolarHBondContact O-N 3.44Å; A272-G274 VanDerWaalsContact O-N 3.07Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-K277 WeakPolarHBondContact O-CE 3.47Å; G274-K277 PolarHBondContact O-NZ 2.89Å
275I95.4Very high92.5Very high36 Ų3642.1 Ų42.119%0.18525%0.249CC..THydrogen-bonded Turntrans-72.1-31179.6-154.164.4000111.4F121 P122 P185 F225 F248 A272 A273 K277F121-I275 HydrophobicContact CD2-CG2 4.33Å; F121-I275 HydrophobicContact CE2-CG1 4.45Å; F121-I275 HydrophobicContact CE2-CG2 4.24Å; P122-I275 VanDerWaalsContact CD-O 3.23Å; P122-I275 WeakPolarHBondContact CD-O 3.48Å; P122-I275 HydrophobicContact CG-CD1 3.8Å; P122-I275 HydrophobicContact CG-CG1 3.67Å; P122-I275 WeakPolarHBondContact CG-O 3.46Å; P185-I275 HydrophobicContact CB-CD1 4.35Å; F225-I275 HydrophobicContact CD1-CG2 4.48Å; F225-I275 HydrophobicContact CE1-CB 4.23Å; F225-I275 HydrophobicContact CE1-CG1 4.31Å; F225-I275 HydrophobicContact CE1-CG2 4.13Å; F225-I275 HydrophobicContact CE2-CD1 4.21Å; F225-I275 HydrophobicContact CE2-CG1 3.97Å; F225-I275 HydrophobicContact CZ-CB 4.07Å; F225-I275 HydrophobicContact CZ-CD1 3.94Å; F225-I275 HydrophobicContact CZ-CG1 3.71Å; F225-I275 HydrophobicContact CZ-CG2 4.34Å; F248-I275 HydrophobicContact CZ-CG2 3.74Å; A272-I275 WeakPolarHBondContact O-CB 3.44Å; A272-I275 WeakPolarHBondContact O-CG2 3.3Å; A272-I275 PolarHBondContact O-N 3.15Å; A273-I275 PolarHBondContact O-N 3.14Å; I275-K277 PolarHBondContact O-N 2.73Å
276L95.7Very high91.9Very high0 Ų043.2 Ų43.20%026%0.258CS..  trans-75.7113.7-179.1-61.3-177.7000110.1V117 S120 F121 F248 V268 A273 G274 R305 F306V117-L276 HydrophobicContact CG1-CD2 4.4Å; S120-L276 CarbonylContact O-C 3.59Å; S120-L276 WeakPolarHBondContact O-CA 3.39Å; F121-L276 HydrophobicContact CB-CD2 4.47Å; F121-L276 HydrophobicContact CD2-CD2 4.27Å; F248-L276 HydrophobicContact CD1-CD1 4.17Å; F248-L276 HydrophobicContact CE1-CD1 3.62Å; F248-L276 HydrophobicContact CE1-CD2 3.92Å; F248-L276 HydrophobicContact CE1-CG 3.78Å; F248-L276 HydrophobicContact CZ-CD1 4.41Å; F248-L276 HydrophobicContact CZ-CD2 3.89Å; F248-L276 HydrophobicContact CZ-CG 4.11Å; V268-L276 HydrophobicContact CG1-CD1 4.48Å; V268-L276 HydrophobicContact CG2-CD1 4.44Å; A273-L276 PolarHBondContact O-N 3.34Å; G274-L276 VanDerWaalsContact C-N 3.35Å; L276-R305 PolarHBondContact O-NH2 2.9Å; L276-F306 HydrophobicContact CB-CE1 3.98Å; L276-F306 HydrophobicContact CB-CZ 3.57Å; L276-F306 HydrophobicContact CD1-CZ 4.33Å
277K90.9Very high91.4Very high120 Ų12046.6 Ų46.652%0.52229%0.286SS..  trans-115.196.9179.1-57.8-52-171.6-164.90110S120 G274 I275S120-K277 PolarHBondContact O-N 3.32Å; G274-K277 WeakPolarHBondContact O-CE 3.47Å; G274-K277 PolarHBondContact O-NZ 2.89Å; I275-K277 PolarHBondContact O-N 2.73Å
278K87.6Confident91Very high23 Ų2348.5 Ų48.510%0.130%0.302CS..  trans-75.7128.5175.9-160.3-175.4-179.8176.20110.5Y280 F306 D308K278-Y280 WeakPolarHBondContact CD-O 3.33Å; K278-Y280 VanDerWaalsContact CE-O 3.29Å; K278-Y280 WeakPolarHBondContact CE-O 3.38Å; K278-Y280 VanDerWaalsContact CG-O 3.24Å; K278-Y280 WeakPolarHBondContact CG-O 3.49Å; K278-F306 HydrophobicContact CB-CD1 4.29Å; K278-F306 HydrophobicContact CB-CE1 4Å; K278-F306 HydrophobicContact CD-CD1 4.04Å; K278-F306 PolarHBondContact NZ-O 3.09Å; K278-D308 WeakPolarHBondContact CE-OD2 3.27Å; K278-D308 IonicContact NZ-OD1 2.98Å; K278-D308 PolarHBondContact NZ-OD1 2.82Å; K278-D308 IonicContact NZ-OD2 3.62Å; K278-D308 PolarHBondContact NZ-OD2 2.95Å
279S83.1Confident90.6Very high120 Ų12055.2 Ų55.284%0.83933%0.328SS*.SBendtrans-91.4-10.517954.80000114.2
280Y87.6Confident90.3Very high143 Ų14357.4 Ų57.456%0.56134%0.341SS*.  trans-111.8145.6175.3171.6-94.9000109.6K278 D308K278-Y280 WeakPolarHBondContact CD-O 3.33Å; K278-Y280 VanDerWaalsContact CE-O 3.29Å; K278-Y280 WeakPolarHBondContact CE-O 3.38Å; K278-Y280 VanDerWaalsContact CG-O 3.24Å; K278-Y280 WeakPolarHBondContact CG-O 3.49Å; Y280-D308 HydrophobicContact CE1-CB 4.42Å
281F87.4Confident90Very high77 Ų7762 Ų6234%0.33838%0.376SS..  trans-131.2142.1172.668-93.4000110.8T285 A286 Y289 Y296F281-T285 WeakPolarHBondContact CB-OG1 3.46Å; F281-A286 HydrophobicContact CD2-CB 4.42Å; F281-Y289 HydrophobicContact CE2-CD1 4.27Å; F281-Y289 HydrophobicContact CE2-CD2 4.03Å; F281-Y289 HydrophobicContact CE2-CE2 4.46Å; F281-Y289 AromaticContact CE2-CG 3.92Å; F281-Y289 HydrophobicContact CE2-CG 3.92Å; F281-Y289 HydrophobicContact CZ-CD2 4.23Å; F281-Y289 HydrophobicContact CZ-CG 4.26Å; F281-Y296 HydrophobicContact CB-CD2 4.28Å; F281-Y296 HydrophobicContact CB-CE1 4.14Å; F281-Y296 HydrophobicContact CB-CE2 3.52Å; F281-Y296 VanDerWaalsContact CB-CZ 3.42Å; F281-Y296 VanDerWaalsContact CB-OH 3.31Å; F281-Y296 WeakPolarHBondContact CB-OH 3.23Å; F281-Y296 HydrophobicContact CD1-CD1 4.29Å; F281-Y296 AromaticContact CD1-CD2 3.82Å; F281-Y296 HydrophobicContact CD1-CD2 3.82Å; F281-Y296 HydrophobicContact CD1-CE1 4.37Å; F281-Y296 AromaticContact CD1-CE2 3.94Å; F281-Y296 HydrophobicContact CD1-CE2 3.94Å; F281-Y296 HydrophobicContact CD1-CG 4Å; F281-Y296 HydrophobicContact CD2-CD2 4.16Å; F281-Y296 AromaticContact CD2-CE2 3.96Å; F281-Y296 HydrophobicContact CD2-CE2 3.96Å; F281-Y296 HydrophobicContact CE1-CD2 4.12Å; F281-Y296 HydrophobicContact CE1-CG 4.24Å; F281-Y296 HydrophobicContact CE2-CD2 4.44Å; F281-Y296 AromaticContact CG-CD2 3.85Å; F281-Y296 HydrophobicContact CG-CD2 3.85Å; F281-Y296 AromaticContact CG-CE2 3.56Å; F281-Y296 HydrophobicContact CG-CE2 3.56Å; F281-Y296 HydrophobicContact CG-CG 4.45Å; F281-Y296 AromaticContact CG-CZ 3.92Å; F281-Y296 HydrophobicContact CZ-CD2 4.42Å
282G87.3Confident89.9Confident13 Ų1359 Ų5913%0.13438%0.377CS..  trans-113-178.3174.400000111.5T285 D308G282-T285 PolarHBondContact N-OG1 3.02Å; G282-T285 PolarHBondContact O-N 3.38Å; G282-T285 PolarHBondContact O-OG1 2.99Å; G282-T285 VanDerWaalsContact O-OG1 3.05Å; G282-D308 PolarHBondContact N-OD1 3.31Å; G282-D308 VanDerWaalsContact N-OD1 3.08Å
283G84.8Confident89.7Confident54 Ų5465.6 Ų65.656%0.55741%0.408SS*.THydrogen-bonded Turntrans-57141.616900000110.8T285 G309G283-T285 VanDerWaalsContact C-N 3.27Å; G283-T285 PolarHBondContact O-N 3.1Å; G283-G309 VanDerWaalsContact O-CA 3.3Å; G283-G309 WeakPolarHBondContact O-CA 3.48Å; G283-G309 PolarHBondContact O-N 2.89Å
284G83.4Confident89.3Confident42 Ų4274 Ų7443%0.43345%0.452SS..THydrogen-bonded Turntrans83.8-15179.800000115.5
285T87.4Confident89.1Confident0 Ų077.6 Ų77.60%045%0.453CS..SBendtrans-95.6-12.9-17877.20000113.7F281 G282 G283 Y296 V299 D304 D308F281-T285 WeakPolarHBondContact CB-OG1 3.46Å; G282-T285 PolarHBondContact N-OG1 3.02Å; G282-T285 PolarHBondContact O-N 3.38Å; G282-T285 PolarHBondContact O-OG1 2.99Å; G282-T285 VanDerWaalsContact O-OG1 3.05Å; G283-T285 VanDerWaalsContact C-N 3.27Å; G283-T285 PolarHBondContact O-N 3.1Å; T285-Y296 PolarHBondContact O-OH 3.45Å; T285-Y296 PolarHBondContact OG1-OH 3.32Å; T285-V299 WeakPolarHBondContact O-CG2 3.5Å; T285-V299 PolarHBondContact O-N 2.91Å; T285-D304 WeakPolarHBondContact CA-O 3.37Å; T285-D304 WeakPolarHBondContact CB-O 3.43Å; T285-D304 VanDerWaalsContact CG2-O 3.31Å; T285-D304 WeakPolarHBondContact CG2-O 3.49Å; T285-D308 WeakPolarHBondContact CG2-OD1 3.08Å
286A86.8Confident88.7Confident23 Ų2378.7 Ų78.719%0.1946%0.455CS..EExtended strand (participates in β ladder)trans-102.9128.2-177.900000111.3F281 Y289 Y296F281-A286 HydrophobicContact CD2-CB 4.42Å; A286-Y289 HydrophobicContact CB-CD1 3.61Å; A286-Y289 HydrophobicContact CB-CE1 4.23Å; A286-Y296 HydrophobicContact CB-CD2 3.97Å; A286-Y296 HydrophobicContact CB-CE2 3.48Å; A286-Y296 VanDerWaalsContact CB-CE2 3.48Å
287A87.5Confident88.4Confident70 Ų7081.4 Ų81.458%0.57947%0.472SS*.EExtended strand (participates in β ladder)trans-75.9-38.4165.300000110.8V297 V299A287-V297 HydrophobicContact CB-CG1 4.21Å; A287-V297 PolarHBondContact N-O 2.99Å; A287-V299 HydrophobicContact CB-CG1 4.24Å
288A90.1Very high88.2Confident41 Ų4178.3 Ų78.334%0.33946%0.459SS..EExtended strand (participates in β ladder)trans-154148.3173.400000110.5Y295 V297A288-Y295 HydrophobicContact CB-CE1 4.3Å; A288-V297 HydrophobicContact CB-CB 4.35Å; A288-V297 HydrophobicContact CB-CG2 4.48Å; A288-V297 PolarHBondContact N-O 2.69Å; A288-V297 PolarHBondContact O-N 2.76Å
289Y91.2Very high88.2Confident140 Ų14078.5 Ų78.555%0.54946%0.462SS..EExtended strand (participates in β ladder)trans-154.6155.7170.564.2-83000110.7F281 A286 Y295F281-Y289 HydrophobicContact CE2-CD1 4.27Å; F281-Y289 HydrophobicContact CE2-CD2 4.03Å; F281-Y289 HydrophobicContact CE2-CE2 4.46Å; F281-Y289 AromaticContact CE2-CG 3.92Å; F281-Y289 HydrophobicContact CE2-CG 3.92Å; F281-Y289 HydrophobicContact CZ-CD2 4.23Å; F281-Y289 HydrophobicContact CZ-CG 4.26Å; A286-Y289 HydrophobicContact CB-CD1 3.61Å; A286-Y289 HydrophobicContact CB-CE1 4.23Å; Y289-Y295 VanDerWaalsContact CA-O 3.24Å; Y289-Y295 WeakPolarHBondContact CA-O 3.36Å
290L91.9Very high88.4Confident87 Ų8782 Ų8246%0.45547%0.465SS..  trans-108145.2173.5-61.1179.3000110E293 Y295L290-E293 HydrophobicContact CB-CB 4.32Å; L290-E293 HydrophobicContact CD1-CB 4.3Å; L290-Y295 HydrophobicContact CD1-CD1 4.21Å; L290-Y295 HydrophobicContact CD1-CG 4.11Å; L290-Y295 HydrophobicContact CG-CD1 3.85Å; L290-Y295 HydrophobicContact CG-CG 4.17Å; L290-Y295 PolarHBondContact N-O 2.87Å
291S91.3Very high88.6Confident131 Ų13178.5 Ų78.592%0.91646%0.456SS*.SBendtrans-83.6-26.4-179.957.20000113.6
292G93.3Very high88.9Confident73 Ų7376.3 Ų76.375%0.75345%0.448SS*.SBendtrans-100.2-7.4-176.300000114.9
293E92.2Very high89.2Confident140 Ų14075.9 Ų75.965%0.65444%0.443SS*.SBendtrans-138.6154.3-173.3-63.6-178.6-172.100110.5L290 Y295L290-E293 HydrophobicContact CB-CB 4.32Å; L290-E293 HydrophobicContact CD1-CB 4.3Å; E293-Y295 PolarHBondContact O-N 2.97Å
294D87.4Confident89.5Confident178 Ų17875.9 Ų75.995%0.95243%0.43SS*.SBendtrans-76.769.8173.3-169.516.6000110.3
295Y89.2Confident89.9Confident119 Ų11975.1 Ų75.147%0.46741%0.414SS..  trans-126.7119.8175.5-179.6-89.5000109.7A288 Y289 L290 E293 V297A288-Y295 HydrophobicContact CB-CE1 4.3Å; Y289-Y295 VanDerWaalsContact CA-O 3.24Å; Y289-Y295 WeakPolarHBondContact CA-O 3.36Å; L290-Y295 HydrophobicContact CD1-CD1 4.21Å; L290-Y295 HydrophobicContact CD1-CG 4.11Å; L290-Y295 HydrophobicContact CG-CD1 3.85Å; L290-Y295 HydrophobicContact CG-CG 4.17Å; L290-Y295 PolarHBondContact N-O 2.87Å; E293-Y295 PolarHBondContact O-N 2.97Å; Y295-V297 HydrophobicContact CE1-CG2 3.77Å; Y295-V297 HydrophobicContact CE2-CG2 4.38Å; Y295-V297 WeakPolarHBondContact OH-CG2 3.45Å
296Y87.7Confident90.2Very high58 Ų5875.6 Ų75.623%0.22742%0.416CS..EExtended strand (participates in β ladder)trans-147.3129.4-179.7167.8-116.9000110.6F281 T285 A286 Q298F281-Y296 HydrophobicContact CB-CD2 4.28Å; F281-Y296 HydrophobicContact CB-CE1 4.14Å; F281-Y296 HydrophobicContact CB-CE2 3.52Å; F281-Y296 VanDerWaalsContact CB-CZ 3.42Å; F281-Y296 VanDerWaalsContact CB-OH 3.31Å; F281-Y296 WeakPolarHBondContact CB-OH 3.23Å; F281-Y296 HydrophobicContact CD1-CD1 4.29Å; F281-Y296 AromaticContact CD1-CD2 3.82Å; F281-Y296 HydrophobicContact CD1-CD2 3.82Å; F281-Y296 HydrophobicContact CD1-CE1 4.37Å; F281-Y296 AromaticContact CD1-CE2 3.94Å; F281-Y296 HydrophobicContact CD1-CE2 3.94Å; F281-Y296 HydrophobicContact CD1-CG 4Å; F281-Y296 HydrophobicContact CD2-CD2 4.16Å; F281-Y296 AromaticContact CD2-CE2 3.96Å; F281-Y296 HydrophobicContact CD2-CE2 3.96Å; F281-Y296 HydrophobicContact CE1-CD2 4.12Å; F281-Y296 HydrophobicContact CE1-CG 4.24Å; F281-Y296 HydrophobicContact CE2-CD2 4.44Å; F281-Y296 AromaticContact CG-CD2 3.85Å; F281-Y296 HydrophobicContact CG-CD2 3.85Å; F281-Y296 AromaticContact CG-CE2 3.56Å; F281-Y296 HydrophobicContact CG-CE2 3.56Å; F281-Y296 HydrophobicContact CG-CG 4.45Å; F281-Y296 AromaticContact CG-CZ 3.92Å; F281-Y296 HydrophobicContact CZ-CD2 4.42Å; T285-Y296 PolarHBondContact O-OH 3.45Å; T285-Y296 PolarHBondContact OG1-OH 3.32Å; A286-Y296 HydrophobicContact CB-CD2 3.97Å; A286-Y296 HydrophobicContact CB-CE2 3.48Å; A286-Y296 VanDerWaalsContact CB-CE2 3.48Å; Y296-Q298 HydrophobicContact CD1-CG 4.16Å; Y296-Q298 HydrophobicContact CE1-CB 4.48Å; Y296-Q298 HydrophobicContact CE1-CG 3.26Å; Y296-Q298 WeakPolarHBondContact OH-CG 3.31Å
297V88.3Confident90.6Very high57 Ų5775.3 Ų75.335%0.34541%0.411SS..EExtended strand (participates in β ladder)trans-117.1120.2174.4-176.40000108.4A287 A288 Y295A287-V297 HydrophobicContact CB-CG1 4.21Å; A287-V297 PolarHBondContact N-O 2.99Å; A288-V297 HydrophobicContact CB-CB 4.35Å; A288-V297 HydrophobicContact CB-CG2 4.48Å; A288-V297 PolarHBondContact N-O 2.69Å; A288-V297 PolarHBondContact O-N 2.76Å; Y295-V297 HydrophobicContact CE1-CG2 3.77Å; Y295-V297 HydrophobicContact CE2-CG2 4.38Å; Y295-V297 WeakPolarHBondContact OH-CG2 3.45Å
298Q86.7Confident90.7Very high55 Ų5575.2 Ų75.226%0.25740%0.401SS..EExtended strand (participates in β ladder)trans-70.7146.6176.9-68-174.4-4.900110.8Y296 R305Y296-Q298 HydrophobicContact CD1-CG 4.16Å; Y296-Q298 HydrophobicContact CE1-CB 4.48Å; Y296-Q298 HydrophobicContact CE1-CG 3.26Å; Y296-Q298 WeakPolarHBondContact OH-CG 3.31Å; Q298-R305 HydrophobicContact CB-CG 4.39Å; Q298-R305 VanDerWaalsContact OE1-NH2 3.13Å
299V88.5Confident90.8Very high27 Ų2774.4 Ų74.416%0.16440%0.396CS..  trans-60.9148.8164.3-65.10000110.9T285 A287 D304 R305T285-V299 WeakPolarHBondContact O-CG2 3.5Å; T285-V299 PolarHBondContact O-N 2.91Å; A287-V299 HydrophobicContact CB-CG1 4.24Å; V299-D304 HydrophobicContact CB-CB 4.44Å; V299-D304 HydrophobicContact CG2-CB 3.49Å; V299-D304 VanDerWaalsContact CG2-CB 3.49Å; V299-R305 HydrophobicContact CG2-CG 3.86Å; V299-R305 VanDerWaalsContact O-CD 3.29Å; V299-R305 WeakPolarHBondContact O-CD 3.25Å; V299-R305 WeakPolarHBondContact O-CG 3.2Å
300E87.2Confident90.9Very high193 Ų19371.1 Ų71.190%0.90239%0.391SS*.SBendtrans-73.3-36.4-177.5-67-171.6166.100112.6I302E300-I302 PolarHBondContact O-N 3.1Å
301N90.5Very high91Very high70 Ų7068 Ų6837%0.37438%0.376SS..SBendtrans-62.1127.6-179.3177.1-68.8000110.9S303 D304 R305N301-S303 PolarHBondContact O-N 3.01Å; N301-S303 PolarHBondContact OD1-N 3.28Å; N301-S303 PolarHBondContact OD1-OG 3.3Å; N301-D304 HydrophobicContact CB-CB 4.16Å; N301-D304 VanDerWaalsContact CB-OD2 3.28Å; N301-D304 WeakPolarHBondContact CB-OD2 3.28Å; N301-D304 VanDerWaalsContact CG-OD2 3.32Å; N301-D304 PolarHBondContact O-N 2.9Å; N301-D304 PolarHBondContact OD1-N 3.34Å; N301-D304 PolarHBondContact OD1-OD2 3.46Å; N301-R305 VanDerWaalsContact O-CG 3.3Å; N301-R305 WeakPolarHBondContact O-CG 3.34Å; N301-R305 PolarHBondContact O-N 2.8Å
302I93.6Very high91.2Very high31 Ų3164.5 Ų64.516%0.15935%0.351CS..THydrogen-bonded Turntrans-62.8-44.1-174.3-66.8164.3000111.8S103 N270 A273 E300 R305 F306S103-I302 WeakPolarHBondContact OG-CD1 3.13Å; N270-I302 HydrophobicContact CB-CD1 4.37Å; A273-I302 HydrophobicContact CB-CD1 3.58Å; A273-I302 HydrophobicContact CB-CG1 3.99Å; A273-I302 HydrophobicContact CB-CG2 3.9Å; E300-I302 PolarHBondContact O-N 3.1Å; I302-R305 WeakPolarHBondContact O-CB 3.41Å; I302-R305 PolarHBondContact O-N 3.37Å; I302-F306 HydrophobicContact CG2-CE2 4.43Å; I302-F306 WeakPolarHBondContact O-CD2 3.17Å
303S93.6Very high91.3Very high4 Ų462.8 Ų62.83%0.02832%0.323CS..THydrogen-bonded Turntrans-63.6-45.3-179.832.60000112.4V104 N301 R305 F306 E307V104-S303 WeakPolarHBondContact O-CB 3.1Å; N301-S303 PolarHBondContact O-N 3.01Å; N301-S303 PolarHBondContact OD1-N 3.28Å; N301-S303 PolarHBondContact OD1-OG 3.3Å; S303-R305 PolarHBondContact O-N 2.66Å; S303-F306 PolarHBondContact O-N 3.41Å; S303-E307 WeakPolarHBondContact O-CG 3.38Å; S303-E307 PolarHBondContact O-N 3.26Å; S303-E307 VanDerWaalsContact O-N 3.14Å
304D91.1Very high91.6Very high54 Ų5459.2 Ų59.229%0.28931%0.308SS..THydrogen-bonded Turntrans-64.4-28.1-177-60.4-23.6000111.9T285 V299 N301 F306T285-D304 WeakPolarHBondContact CA-O 3.37Å; T285-D304 WeakPolarHBondContact CB-O 3.43Å; T285-D304 VanDerWaalsContact CG2-O 3.31Å; T285-D304 WeakPolarHBondContact CG2-O 3.49Å; V299-D304 HydrophobicContact CB-CB 4.44Å; V299-D304 HydrophobicContact CG2-CB 3.49Å; V299-D304 VanDerWaalsContact CG2-CB 3.49Å; N301-D304 HydrophobicContact CB-CB 4.16Å; N301-D304 VanDerWaalsContact CB-OD2 3.28Å; N301-D304 WeakPolarHBondContact CB-OD2 3.28Å; N301-D304 VanDerWaalsContact CG-OD2 3.32Å; N301-D304 PolarHBondContact O-N 2.9Å; N301-D304 PolarHBondContact OD1-N 3.34Å; N301-D304 PolarHBondContact OD1-OD2 3.46Å; D304-F306 PolarHBondContact O-N 2.85Å
305R91.9Very high92.1Very high26 Ų2652.7 Ų52.710%0.09827%0.273CS..THydrogen-bonded Turntrans-61.1-25.6175-71.416866.9-141.6-9.8113.4A273 L276 Q298 V299 N301 I302 S303A273-R305 PolarHBondContact O-NH1 2.87Å; L276-R305 PolarHBondContact O-NH2 2.9Å; Q298-R305 HydrophobicContact CB-CG 4.39Å; Q298-R305 VanDerWaalsContact OE1-NH2 3.13Å; V299-R305 HydrophobicContact CG2-CG 3.86Å; V299-R305 VanDerWaalsContact O-CD 3.29Å; V299-R305 WeakPolarHBondContact O-CD 3.25Å; V299-R305 WeakPolarHBondContact O-CG 3.2Å; N301-R305 VanDerWaalsContact O-CG 3.3Å; N301-R305 WeakPolarHBondContact O-CG 3.34Å; N301-R305 PolarHBondContact O-N 2.8Å; I302-R305 WeakPolarHBondContact O-CB 3.41Å; I302-R305 PolarHBondContact O-N 3.37Å; S303-R305 PolarHBondContact O-N 2.66Å
306F94.4Very high92.5Very high10 Ų1047 Ų474%0.04425%0.251CS..THydrogen-bonded Turntrans-118.2-12.1-171-61.8-77.1000114.2I105 L116 L276 K278 I302 S303 D304 D308I105-F306 HydrophobicContact CD1-CB 3.93Å; I105-F306 HydrophobicContact CD1-CD2 3.44Å; I105-F306 VanDerWaalsContact CD1-CD2 3.44Å; I105-F306 HydrophobicContact CD1-CE2 4.2Å; I105-F306 HydrophobicContact CD1-CG 3.86Å; I105-F306 HydrophobicContact CG1-CB 4.26Å; I105-F306 HydrophobicContact CG1-CD2 4.26Å; I105-F306 HydrophobicContact CG2-CB 3.64Å; L116-F306 HydrophobicContact CD1-CD1 3.98Å; L116-F306 HydrophobicContact CD2-CB 4.03Å; L116-F306 HydrophobicContact CD2-CD1 4.32Å; L116-F306 HydrophobicContact CD2-CG 4.36Å; L116-F306 HydrophobicContact CG-CD1 4.39Å; L276-F306 HydrophobicContact CB-CE1 3.98Å; L276-F306 HydrophobicContact CB-CZ 3.57Å; L276-F306 HydrophobicContact CD1-CZ 4.33Å; K278-F306 HydrophobicContact CB-CD1 4.29Å; K278-F306 HydrophobicContact CB-CE1 4Å; K278-F306 HydrophobicContact CD-CD1 4.04Å; K278-F306 PolarHBondContact NZ-O 3.09Å; I302-F306 HydrophobicContact CG2-CE2 4.43Å; I302-F306 WeakPolarHBondContact O-CD2 3.17Å; S303-F306 PolarHBondContact O-N 3.41Å; D304-F306 PolarHBondContact O-N 2.85Å; F306-D308 PolarHBondContact O-N 3.21Å
307E94.7Very high93Very high18 Ų1844.3 Ų44.38%0.08424%0.24CC..  trans-9188.6178.1-70.2175.5-172.600110.6R88 I105 F106 S303 G309 V311R88-E307 IonicContact CZ-OE1 3.76Å; R88-E307 IonicContact CZ-OE2 3.37Å; R88-E307 IonicContact NH1-OE1 2.63Å; R88-E307 PolarHBondContact NH1-OE1 3.26Å; R88-E307 IonicContact NH1-OE2 3.94Å; R88-E307 IonicContact NH2-OE1 3.94Å; R88-E307 PolarHBondContact NH2-OE1 3.21Å; R88-E307 IonicContact NH2-OE2 3.11Å; R88-E307 PolarHBondContact NH2-OE2 2.59Å; I105-E307 WeakPolarHBondContact CA-OE1 3.24Å; I105-E307 HydrophobicContact CG2-CG 4.11Å; F106-E307 PolarHBondContact N-OE1 2.89Å; S303-E307 WeakPolarHBondContact O-CG 3.38Å; S303-E307 PolarHBondContact O-N 3.26Å; S303-E307 VanDerWaalsContact O-N 3.14Å; E307-G309 PolarHBondContact O-N 3.41Å; E307-V311 HydrophobicContact CB-CG1 3.77Å; E307-V311 HydrophobicContact CG-CG1 4.05Å; E307-V311 WeakPolarHBondContact OE2-CG1 3.38Å
308D90.4Very high93.5Very high67 Ų6741.6 Ų41.636%0.35822%0.224SC..  trans-71.5122.6-178.6-62.8-54000112.6K278 Y280 G282 T285 F306K278-D308 WeakPolarHBondContact CE-OD2 3.27Å; K278-D308 IonicContact NZ-OD1 2.98Å; K278-D308 PolarHBondContact NZ-OD1 2.82Å; K278-D308 IonicContact NZ-OD2 3.62Å; K278-D308 PolarHBondContact NZ-OD2 2.95Å; Y280-D308 HydrophobicContact CE1-CB 4.42Å; G282-D308 PolarHBondContact N-OD1 3.31Å; G282-D308 VanDerWaalsContact N-OD1 3.08Å; T285-D308 WeakPolarHBondContact CG2-OD1 3.08Å; F306-D308 PolarHBondContact O-N 3.21Å
309G91.1Very high94Very high24 Ų2439 Ų3925%0.24721%0.211CC..SBendtrans68-154.517600000112.3G283 E307 V311G283-G309 VanDerWaalsContact O-CA 3.3Å; G283-G309 WeakPolarHBondContact O-CA 3.48Å; G283-G309 PolarHBondContact O-N 2.89Å; E307-G309 PolarHBondContact O-N 3.41Å; G309-V311 PolarHBondContact O-N 3.2Å
310T93.3Very high94.4Very high72 Ų7238.7 Ų38.744%0.44221%0.209SC..SBendtrans-75.1116.7-178.7-54.50000110.4N69 F313N69-T310 PolarHBondContact ND2-OG1 2.92Å; T310-F313 HydrophobicContact CG2-CD1 3.87Å; T310-F313 HydrophobicContact CG2-CE1 3.92Å
311V94Very high94.9Very high22 Ų2230.7 Ų30.713%0.13317%0.172CC..  trans-62.6159.4172.1-63.80000111.5E307 G309 F313 I316E307-V311 HydrophobicContact CB-CG1 3.77Å; E307-V311 HydrophobicContact CG-CG1 4.05Å; E307-V311 WeakPolarHBondContact OE2-CG1 3.38Å; G309-V311 PolarHBondContact O-N 3.2Å; V311-F313 HydrophobicContact CG2-CB 4.3Å; V311-F313 WeakPolarHBondContact O-CD1 3.5Å; V311-F313 PolarHBondContact O-N 3.06Å; V311-I316 HydrophobicContact CB-CD1 3.89Å; V311-I316 HydrophobicContact CG2-CD1 3.8Å
312S96Very high95.3Very high56 Ų5627.4 Ų27.439%0.39215%0.154SC..  trans-72.368.1173.6-162.20000110.8L314 D315 I316S312-L314 VanDerWaalsContact C-N 3.27Å; S312-L314 PolarHBondContact O-N 3.43Å; S312-D315 PolarHBondContact O-N 3.29Å; S312-D315 VanDerWaalsContact O-N 3.09Å; S312-D315 WeakPolarHBondContact OG-CB 3.06Å; S312-D315 VanDerWaalsContact OG-CG 3.24Å; S312-D315 PolarHBondContact OG-OD2 3.17Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å; S312-I316 PolarHBondContact O-N 2.96Å
313F96.4Very high95.5Very high38 Ų3826 Ų2617%0.16715%0.147CC..Hα-helixtrans-61.1-34.5-169.760.2-94.2000112.4T80 V84 T310 V311 I316 I317T80-F313 HydrophobicContact CG2-CB 3.64Å; T80-F313 HydrophobicContact CG2-CD2 3.5Å; T80-F313 HydrophobicContact CG2-CE2 4.29Å; T80-F313 HydrophobicContact CG2-CG 3.65Å; V84-F313 HydrophobicContact CG2-CB 4Å; T310-F313 HydrophobicContact CG2-CD1 3.87Å; T310-F313 HydrophobicContact CG2-CE1 3.92Å; V311-F313 HydrophobicContact CG2-CB 4.3Å; V311-F313 WeakPolarHBondContact O-CD1 3.5Å; V311-F313 PolarHBondContact O-N 3.06Å; F313-I316 PolarHBondContact O-N 3.18Å; F313-I317 HydrophobicContact CD2-CD1 4.27Å; F313-I317 WeakPolarHBondContact O-CB 3.47Å; F313-I317 VanDerWaalsContact O-CD1 3.3Å; F313-I317 WeakPolarHBondContact O-CD1 3.4Å; F313-I317 WeakPolarHBondContact O-CG1 3.48Å; F313-I317 PolarHBondContact O-N 3.13Å
314L97.5Very high95.6Very high64 Ų6430.2 Ų30.234%0.33517%0.166SC..Hα-helixtrans-66.1-41.6175-67.2-178.2000112.4Y58 I62 Y67 S312 I316 I317 A318Y58-L314 WeakPolarHBondContact CE2-O 3.21Å; Y58-L314 PolarHBondContact OH-O 2.89Å; I62-L314 HydrophobicContact CG2-CD2 4.28Å; Y67-L314 HydrophobicContact CD2-CD2 4.29Å; Y67-L314 HydrophobicContact CG-CD2 4.4Å; S312-L314 VanDerWaalsContact C-N 3.27Å; S312-L314 PolarHBondContact O-N 3.43Å; L314-I316 VanDerWaalsContact C-N 3.32Å; L314-I317 HydrophobicContact CD2-CD1 4.34Å; L314-I317 PolarHBondContact O-N 3.42Å; L314-A318 PolarHBondContact O-N 3.06Å
315D97.8Very high95.9Very high42 Ų4227.6 Ų27.623%0.22515%0.152CC..Hα-helixtrans-66.9-36.3174.2-71.8-31000111.3P260 L263 S312 A318 L319P260-D315 HydrophobicContact CB-CB 4.04Å; P260-D315 WeakPolarHBondContact CB-OD1 3.32Å; P260-D315 HydrophobicContact CG-CB 3.67Å; L263-D315 HydrophobicContact CB-CB 4.4Å; L263-D315 HydrophobicContact CD2-CB 4.04Å; L263-D315 WeakPolarHBondContact CD2-O 3.36Å; S312-D315 PolarHBondContact O-N 3.29Å; S312-D315 VanDerWaalsContact O-N 3.09Å; S312-D315 WeakPolarHBondContact OG-CB 3.06Å; S312-D315 VanDerWaalsContact OG-CG 3.24Å; S312-D315 PolarHBondContact OG-OD2 3.17Å; D315-A318 WeakPolarHBondContact O-CB 3.27Å; D315-A318 PolarHBondContact O-N 3.14Å; D315-L319 PolarHBondContact O-N 2.85Å
316I98.4Very high96.1Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-64.9-46.5175-66.2163.6000109.9V84 V87 F106 L263 V311 S312 F313 L314 A318 L319V84-I316 HydrophobicContact CB-CG2 4.36Å; V84-I316 HydrophobicContact CG1-CD1 4.46Å; V84-I316 HydrophobicContact CG1-CG2 4.23Å; V84-I316 HydrophobicContact CG2-CB 4.4Å; V84-I316 HydrophobicContact CG2-CG2 4.03Å; V87-I316 HydrophobicContact CB-CG2 3.86Å; V87-I316 HydrophobicContact CG1-CG2 3.69Å; V87-I316 WeakPolarHBondContact CG1-O 3.48Å; V87-I316 HydrophobicContact CG2-CG2 4.35Å; F106-I316 HydrophobicContact CB-CD1 4.12Å; F106-I316 HydrophobicContact CD1-CD1 4.26Å; F106-I316 HydrophobicContact CD1-CG1 4.02Å; F106-I316 HydrophobicContact CD2-CD1 3.51Å; F106-I316 HydrophobicContact CD2-CG1 4.07Å; F106-I316 HydrophobicContact CE1-CG1 4.15Å; F106-I316 HydrophobicContact CE1-CG2 4.21Å; F106-I316 HydrophobicContact CE2-CD1 3.93Å; F106-I316 HydrophobicContact CE2-CG1 4.2Å; F106-I316 HydrophobicContact CE2-CG2 3.83Å; F106-I316 HydrophobicContact CG-CD1 3.7Å; F106-I316 HydrophobicContact CG-CG1 3.98Å; F106-I316 HydrophobicContact CZ-CD1 4.47Å; F106-I316 HydrophobicContact CZ-CG1 4.24Å; F106-I316 HydrophobicContact CZ-CG2 3.66Å; L263-I316 HydrophobicContact CD1-CG1 3.95Å; L263-I316 HydrophobicContact CD2-CB 4.43Å; L263-I316 HydrophobicContact CD2-CG1 3.84Å; V311-I316 HydrophobicContact CB-CD1 3.89Å; V311-I316 HydrophobicContact CG2-CD1 3.8Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å; S312-I316 PolarHBondContact O-N 2.96Å; F313-I316 PolarHBondContact O-N 3.18Å; L314-I316 VanDerWaalsContact C-N 3.32Å; I316-A318 PolarHBondContact O-N 3.26Å; I316-L319 VanDerWaalsContact O-CB 3.25Å; I316-L319 WeakPolarHBondContact O-CB 3.39Å; I316-L319 PolarHBondContact O-N 2.65Å
317I97.4Very high96.2Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-57.4-39.8175.6-69.5159.2000110.9Y58 Y67 T83 F313 L314 L319 N320Y58-I317 HydrophobicContact CE2-CG2 4.43Å; Y67-I317 HydrophobicContact CD1-CD1 3.45Å; Y67-I317 VanDerWaalsContact CD1-CD1 3.45Å; Y67-I317 HydrophobicContact CD2-CD1 4.11Å; Y67-I317 HydrophobicContact CE1-CD1 3.58Å; Y67-I317 HydrophobicContact CE1-CG1 4.39Å; Y67-I317 HydrophobicContact CE2-CD1 4.21Å; Y67-I317 HydrophobicContact CE2-CG2 4.44Å; Y67-I317 HydrophobicContact CG-CD1 3.73Å; T83-I317 HydrophobicContact CG2-CB 4.47Å; T83-I317 HydrophobicContact CG2-CG1 3.73Å; T83-I317 HydrophobicContact CG2-CG2 4.33Å; F313-I317 HydrophobicContact CD2-CD1 4.27Å; F313-I317 WeakPolarHBondContact O-CB 3.47Å; F313-I317 VanDerWaalsContact O-CD1 3.3Å; F313-I317 WeakPolarHBondContact O-CD1 3.4Å; F313-I317 WeakPolarHBondContact O-CG1 3.48Å; F313-I317 PolarHBondContact O-N 3.13Å; L314-I317 HydrophobicContact CD2-CD1 4.34Å; L314-I317 PolarHBondContact O-N 3.42Å; I317-L319 PolarHBondContact O-N 3.14Å; I317-N320 WeakPolarHBondContact O-CB 3.19Å; I317-N320 PolarHBondContact O-N 2.74Å
318A98.2Very high96.2Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-57.6-30.1175.600000113.6Y58 F259 L314 D315 I316 N320 H321 A322Y58-A318 HydrophobicContact CD1-CB 4.47Å; Y58-A318 HydrophobicContact CD2-CB 3.79Å; Y58-A318 HydrophobicContact CE1-CB 4.45Å; Y58-A318 HydrophobicContact CE2-CB 3.76Å; Y58-A318 HydrophobicContact CG-CB 4.15Å; F259-A318 HydrophobicContact CD1-CB 4.19Å; F259-A318 HydrophobicContact CE1-CB 3.54Å; F259-A318 HydrophobicContact CZ-CB 4.4Å; L314-A318 PolarHBondContact O-N 3.06Å; D315-A318 WeakPolarHBondContact O-CB 3.27Å; D315-A318 PolarHBondContact O-N 3.14Å; I316-A318 PolarHBondContact O-N 3.26Å; A318-N320 PolarHBondContact O-N 3.39Å; A318-H321 PolarHBondContact O-N 2.92Å; A318-A322 PolarHBondContact O-N 3.09Å
319L98.2Very high96.4Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-62.5-31.8177.1-61.6-178.1000112.4V87 F106 F253 F257 L263 D315 I316 I317 H321 A322 F323V87-L319 HydrophobicContact CG1-CB 3.81Å; V87-L319 HydrophobicContact CG1-CD1 4.01Å; V87-L319 HydrophobicContact CG1-CG 4.47Å; F106-L319 HydrophobicContact CE1-CD1 4.09Å; F253-L319 HydrophobicContact CB-CD2 3.66Å; F253-L319 HydrophobicContact CD1-CD1 4.14Å; F253-L319 HydrophobicContact CD1-CD2 4.03Å; F253-L319 HydrophobicContact CD2-CD1 3.68Å; F253-L319 HydrophobicContact CD2-CD2 4.01Å; F253-L319 HydrophobicContact CD2-CG 4.48Å; F253-L319 HydrophobicContact CE1-CD1 4.02Å; F253-L319 HydrophobicContact CE2-CD1 3.55Å; F253-L319 HydrophobicContact CG-CD1 3.97Å; F253-L319 HydrophobicContact CG-CD2 3.64Å; F253-L319 HydrophobicContact CG-CG 4.48Å; F253-L319 HydrophobicContact CZ-CD1 3.72Å; F257-L319 HydrophobicContact CD2-CD2 4.15Å; F257-L319 HydrophobicContact CE2-CD2 4.26Å; L263-L319 HydrophobicContact CD2-CD1 3.58Å; L263-L319 HydrophobicContact CD2-CD2 4.18Å; L263-L319 HydrophobicContact CD2-CG 3.8Å; D315-L319 PolarHBondContact O-N 2.85Å; I316-L319 VanDerWaalsContact O-CB 3.25Å; I316-L319 WeakPolarHBondContact O-CB 3.39Å; I316-L319 PolarHBondContact O-N 2.65Å; I317-L319 PolarHBondContact O-N 3.14Å; L319-H321 VanDerWaalsContact C-N 3.29Å; L319-H321 PolarHBondContact O-N 3.32Å; L319-A322 WeakPolarHBondContact O-CB 3.38Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-A322 VanDerWaalsContact O-N 3.14Å; L319-F323 HydrophobicContact CB-CD2 4.4Å; L319-F323 HydrophobicContact CB-CE2 4.28Å; L319-F323 WeakPolarHBondContact O-CD2 3.32Å; L319-F323 PolarHBondContact O-N 3.16Å
320N96.3Very high96.6Very high22 Ų2232.1 Ų32.112%0.11816%0.158CC..Hα-helixtrans-55-49.1175.4-163.240.7000110.3V87 R90 I317 A318 E324V87-N320 HydrophobicContact CG2-CB 3.87Å; R90-N320 WeakPolarHBondContact CD-OD1 3.41Å; R90-N320 PolarHBondContact NH1-O 3.45Å; R90-N320 PolarHBondContact NH1-OD1 3.18Å; I317-N320 WeakPolarHBondContact O-CB 3.19Å; I317-N320 PolarHBondContact O-N 2.74Å; A318-N320 PolarHBondContact O-N 3.39Å; N320-E324 WeakPolarHBondContact O-CG 3.07Å; N320-E324 PolarHBondContact O-N 3.15Å
321H97.9Very high96.7Very high25 Ų2531 Ų3112%0.11616%0.161CC..Hα-helixtrans-71.2-31177.7-58.5-75000112.8L54 Y58 D61 A318 L319 S325L54-H321 HydrophobicContact CG-CB 4.49Å; Y58-H321 AromaticContact CD2-CD2 3.99Å; D61-H321 IonicContact OD2-CD2 3.91Å; D61-H321 IonicContact OD2-CE1 3.09Å; D61-H321 IonicContact OD2-NE2 2.87Å; D61-H321 PolarHBondContact OD2-NE2 2.88Å; A318-H321 PolarHBondContact O-N 2.92Å; L319-H321 VanDerWaalsContact C-N 3.29Å; L319-H321 PolarHBondContact O-N 3.32Å; H321-S325 VanDerWaalsContact O-CB 3.27Å; H321-S325 WeakPolarHBondContact O-CB 3.46Å; H321-S325 PolarHBondContact O-N 3.46Å; H321-S325 PolarHBondContact O-OG 2.98Å
322A98.2Very high96.7Very high1 Ų131.6 Ų31.61%0.00817%0.166CC..Hα-helixtrans-65.7-46.3176.200000112.1L54 F257 A318 L319 S325 L326L54-A322 HydrophobicContact CD1-CB 3.64Å; L54-A322 HydrophobicContact CG-CB 4.25Å; F257-A322 HydrophobicContact CB-CB 3.89Å; F257-A322 HydrophobicContact CD1-CB 3.89Å; F257-A322 HydrophobicContact CD2-CB 3.82Å; F257-A322 HydrophobicContact CE1-CB 4.38Å; F257-A322 HydrophobicContact CE2-CB 4.33Å; F257-A322 HydrophobicContact CG-CB 3.6Å; A318-A322 PolarHBondContact O-N 3.09Å; L319-A322 WeakPolarHBondContact O-CB 3.38Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-A322 VanDerWaalsContact O-N 3.14Å; A322-S325 PolarHBondContact O-N 2.87Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.3Å
323F98.2Very high96.8Very high2 Ų229.6 Ų29.61%0.00915%0.151CC..Hα-helixtrans-61.2-49.2173.9-77-67.5000111.4R90 V91 H94 F257 L319 S325 L326 Y327R90-F323 HydrophobicContact CB-CD2 4.14Å; R90-F323 HydrophobicContact CB-CE2 4.24Å; R90-F323 VanDerWaalsContact NH2-CB 3.28Å; V91-F323 HydrophobicContact CG2-CE2 3.91Å; V91-F323 HydrophobicContact CG2-CZ 3.97Å; H94-F323 HydrophobicContact CB-CD1 4.31Å; H94-F323 HydrophobicContact CB-CE1 3.5Å; H94-F323 VanDerWaalsContact CB-CE1 3.5Å; H94-F323 HydrophobicContact CB-CZ 4.1Å; H94-F323 AromaticContact CG-CE1 3.47Å; H94-F323 VanDerWaalsContact CG-CE1 3.47Å; H94-F323 AromaticContact ND1-CD1 4Å; H94-F323 AromaticContact ND1-CE1 3.59Å; F257-F323 HydrophobicContact CE1-CD1 4.04Å; F257-F323 HydrophobicContact CE1-CE1 4.34Å; F257-F323 HydrophobicContact CE1-CG 4.5Å; F257-F323 HydrophobicContact CE2-CE1 4.24Å; F257-F323 HydrophobicContact CE2-CZ 4.23Å; F257-F323 AromaticContact CZ-CD1 3.53Å; F257-F323 HydrophobicContact CZ-CD1 3.53Å; F257-F323 HydrophobicContact CZ-CD2 4.43Å; F257-F323 AromaticContact CZ-CE1 3.45Å; F257-F323 HydrophobicContact CZ-CE1 3.45Å; F257-F323 VanDerWaalsContact CZ-CE1 3.45Å; F257-F323 HydrophobicContact CZ-CE2 4.35Å; F257-F323 HydrophobicContact CZ-CG 4.04Å; F257-F323 AromaticContact CZ-CZ 3.88Å; F257-F323 HydrophobicContact CZ-CZ 3.88Å; L319-F323 HydrophobicContact CB-CD2 4.4Å; L319-F323 HydrophobicContact CB-CE2 4.28Å; L319-F323 WeakPolarHBondContact O-CD2 3.32Å; L319-F323 PolarHBondContact O-N 3.16Å; F323-S325 VanDerWaalsContact C-N 3.32Å; F323-S325 PolarHBondContact O-N 2.84Å; F323-L326 PolarHBondContact O-N 3.31Å; F323-Y327 HydrophobicContact CB-CD2 4.47Å; F323-Y327 HydrophobicContact CD1-CE2 4.02Å; F323-Y327 WeakPolarHBondContact O-CD2 3.47Å; F323-Y327 PolarHBondContact O-N 2.85Å
324E96.7Very high96.8Very high91 Ų9132.1 Ų32.143%0.42516%0.163SC..Hα-helixtrans-55.2-48.7177.6-72.8-54.1139.600111.6R90 N320 Y327 R328R90-E324 IonicContact CZ-OE1 3.02Å; R90-E324 IonicContact NH1-OE1 3.06Å; R90-E324 PolarHBondContact NH1-OE1 3.02Å; R90-E324 IonicContact NH2-OE1 2.78Å; R90-E324 PolarHBondContact NH2-OE1 3.36Å; N320-E324 WeakPolarHBondContact O-CG 3.07Å; N320-E324 PolarHBondContact O-N 3.15Å; E324-Y327 PolarHBondContact O-N 2.88Å; E324-R328 WeakPolarHBondContact O-CB 3.33Å; E324-R328 PolarHBondContact O-N 2.93Å
325S96.5Very high96.8Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-66.8-40.8-177.1-62.60000111.6H321 A322 F323 R328 I329H321-S325 VanDerWaalsContact O-CB 3.27Å; H321-S325 WeakPolarHBondContact O-CB 3.46Å; H321-S325 PolarHBondContact O-N 3.46Å; H321-S325 PolarHBondContact O-OG 2.98Å; A322-S325 PolarHBondContact O-N 2.87Å; F323-S325 VanDerWaalsContact C-N 3.32Å; F323-S325 PolarHBondContact O-N 2.84Å; S325-R328 PolarHBondContact OG-NH2 3Å; S325-I329 WeakPolarHBondContact O-CB 3.44Å; S325-I329 WeakPolarHBondContact O-CD1 3.44Å; S325-I329 WeakPolarHBondContact O-CG1 3.37Å; S325-I329 PolarHBondContact O-N 3.39Å
326L96.6Very high96.7Very high1 Ų129.9 Ų29.91%0.00515%0.151CC..Hα-helixtrans-60.3-54.3175.8-172.771.6000110.8I256 F257 A322 F323 R328 I329 T330 M333 I336 Y462I256-L326 HydrophobicContact CG2-CD2 4.12Å; F257-L326 HydrophobicContact CD1-CB 4.09Å; F257-L326 HydrophobicContact CD1-CD2 4.05Å; F257-L326 HydrophobicContact CD1-CG 4.49Å; F257-L326 HydrophobicContact CE1-CB 3.97Å; F257-L326 HydrophobicContact CE1-CD2 3.55Å; F257-L326 HydrophobicContact CE1-CG 4.31Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.3Å; F323-L326 PolarHBondContact O-N 3.31Å; L326-R328 VanDerWaalsContact C-N 3.35Å; L326-R328 PolarHBondContact O-N 3.45Å; L326-I329 PolarHBondContact O-N 3.36Å; L326-T330 HydrophobicContact CD1-CG2 4.12Å; L326-T330 WeakPolarHBondContact O-CB 3.13Å; L326-T330 WeakPolarHBondContact O-CG2 3.48Å; L326-T330 PolarHBondContact O-N 3Å; L326-T330 PolarHBondContact O-OG1 2.93Å; L326-M333 HydrophobicContact CD2-SD 3.93Å; L326-I336 HydrophobicContact CD1-CD1 3.8Å; L326-I336 HydrophobicContact CD2-CD1 4.27Å; L326-I336 HydrophobicContact CG-CD1 4.16Å; L326-Y462 HydrophobicContact CD1-CD1 3.94Å; L326-Y462 HydrophobicContact CD1-CD2 4.3Å; L326-Y462 HydrophobicContact CD1-CE1 3.82Å; L326-Y462 HydrophobicContact CD1-CE2 4.15Å; L326-Y462 HydrophobicContact CD1-CG 4.19Å
327Y96.2Very high96.7Very high82 Ų8230.8 Ų30.832%0.32216%0.155SC..Hα-helixtrans-68-33.2-178-72.5-67.1000113H94 F323 E324 I329 G331H94-Y327 AromaticContact ND1-CZ 3.64Å; H94-Y327 PolarHBondContact ND1-OH 3.33Å; F323-Y327 HydrophobicContact CB-CD2 4.47Å; F323-Y327 HydrophobicContact CD1-CE2 4.02Å; F323-Y327 WeakPolarHBondContact O-CD2 3.47Å; F323-Y327 PolarHBondContact O-N 2.85Å; E324-Y327 PolarHBondContact O-N 2.88Å; Y327-I329 VanDerWaalsContact C-N 3.33Å; Y327-I329 PolarHBondContact O-N 3.49Å; Y327-G331 WeakPolarHBondContact O-CA 3.3Å; Y327-G331 PolarHBondContact O-N 2.86Å
328R94.7Very high96.7Very high133 Ų13332.8 Ų32.850%0.50217%0.165SC..Hα-helixtrans-62.7-39.2173179.5173.663.5-153.2-1.6112.2S53 D57 E324 S325 L326S53-R328 PolarHBondContact OG-NH2 3.26Å; D57-R328 IonicContact OD2-CZ 3.92Å; D57-R328 IonicContact OD2-NH1 3.18Å; D57-R328 PolarHBondContact OD2-NH1 3.46Å; D57-R328 IonicContact OD2-NH2 2.96Å; D57-R328 PolarHBondContact OD2-NH2 2.87Å; E324-R328 WeakPolarHBondContact O-CB 3.33Å; E324-R328 PolarHBondContact O-N 2.93Å; S325-R328 PolarHBondContact OG-NH2 3Å; L326-R328 VanDerWaalsContact C-N 3.35Å; L326-R328 PolarHBondContact O-N 3.45Å
329I94.3Very high96.6Very high21 Ų2132.8 Ų32.811%0.10817%0.165CC..Hα-helixtrans-80.3-43.5-178.9-68.2167.2000111.3Y21 V28 E32 P51 S325 L326 Y327Y21-I329 WeakPolarHBondContact CB-O 3.23Å; Y21-I329 HydrophobicContact CD2-CG2 4.3Å; Y21-I329 WeakPolarHBondContact CD2-O 3.25Å; V28-I329 HydrophobicContact CG1-CG1 4.15Å; V28-I329 HydrophobicContact CG1-CG2 3.93Å; E32-I329 HydrophobicContact CB-CD1 4.39Å; E32-I329 HydrophobicContact CG-CD1 3.97Å; P51-I329 HydrophobicContact CB-CD1 3.71Å; P51-I329 HydrophobicContact CG-CD1 4Å; S325-I329 WeakPolarHBondContact O-CB 3.44Å; S325-I329 WeakPolarHBondContact O-CD1 3.44Å; S325-I329 WeakPolarHBondContact O-CG1 3.37Å; S325-I329 PolarHBondContact O-N 3.39Å; L326-I329 PolarHBondContact O-N 3.36Å; Y327-I329 VanDerWaalsContact C-N 3.33Å; Y327-I329 PolarHBondContact O-N 3.49Å
330T95.3Very high96.6Very high2 Ų232.9 Ų32.91%0.01217%0.165CC..Hα-helixtrans-108.5-17.1-165.273.80000113.9Y21 L326 S332 N335 I336 Y462Y21-T330 HydrophobicContact CD2-CG2 4.02Å; Y21-T330 HydrophobicContact CE2-CG2 3.56Å; L326-T330 HydrophobicContact CD1-CG2 4.12Å; L326-T330 WeakPolarHBondContact O-CB 3.13Å; L326-T330 WeakPolarHBondContact O-CG2 3.48Å; L326-T330 PolarHBondContact O-N 3Å; L326-T330 PolarHBondContact O-OG1 2.93Å; T330-S332 PolarHBondContact O-N 3.35Å; T330-N335 WeakPolarHBondContact O-CB 3.3Å; T330-N335 PolarHBondContact O-ND2 3.49Å; T330-I336 HydrophobicContact CG2-CD1 3.8Å; T330-I336 HydrophobicContact CG2-CG1 3.75Å; T330-I336 WeakPolarHBondContact OG1-CD1 3.4Å; T330-Y462 HydrophobicContact CG2-CD2 3.85Å; T330-Y462 HydrophobicContact CG2-CG 4.25Å
331G95.2Very high96.6Very high49 Ų4932.6 Ų32.651%0.50516%0.163SC..SBendtrans74.1-46.5-173.700000113.8Y327Y327-G331 WeakPolarHBondContact O-CA 3.3Å; Y327-G331 PolarHBondContact O-N 2.86Å
332S95.8Very high96.5Very high34 Ų3431.7 Ų31.724%0.23816%0.16CC..  trans-159.1161.1179.674.80000113.5T330 H334 N335 I336T330-S332 PolarHBondContact O-N 3.35Å; S332-H334 PolarHBondContact O-N 3.03Å; S332-H334 PolarHBondContact OG-N 3.05Å; S332-N335 PolarHBondContact O-N 3.32Å; S332-N335 PolarHBondContact OG-N 2.98Å; S332-N335 VanDerWaalsContact OG-N 3.12Å; S332-N335 PolarHBondContact OG-OD1 2.98Å; S332-I336 PolarHBondContact O-N 3.19Å
333M97.5Very high96.5Very high14 Ų1431.6 Ų31.67%0.06916%0.16CC..Hα-helixtrans-63.8-25.7169.7-71.2-58.4-60.800113V234 P238 L326 I336 Q337V234-M333 WeakPolarHBondContact O-CE 3.46Å; P238-M333 HydrophobicContact CB-CB 3.98Å; L326-M333 HydrophobicContact CD2-SD 3.93Å; M333-I336 HydrophobicContact CE-CD1 4.4Å; M333-I336 PolarHBondContact O-N 2.8Å; M333-I336 HydrophobicContact SD-CD1 3.63Å; M333-Q337 PolarHBondContact O-N 2.68Å
334H96.5Very high96.4Very high91 Ų9131.5 Ų31.542%0.42116%0.159SC..Hα-helixtrans-66.2-44.9174.7-17677.6000110.9S332 I336 Q337 Q338S332-H334 PolarHBondContact O-N 3.03Å; S332-H334 PolarHBondContact OG-N 3.05Å; H334-I336 VanDerWaalsContact C-N 3.29Å; H334-I336 PolarHBondContact O-N 3.3Å; H334-Q337 WeakPolarHBondContact O-CB 3.21Å; H334-Q337 PolarHBondContact O-N 2.71Å; H334-Q337 VanDerWaalsContact O-N 3.12Å; H334-Q338 PolarHBondContact CE1-NE2 3.18Å; H334-Q338 WeakPolarHBondContact O-CG 3.24Å; H334-Q338 PolarHBondContact O-N 3.27Å
335N96.3Very high96.4Very high58 Ų5828.1 Ų28.131%0.3114%0.143SC..Hα-helixtrans-61-40.9175.7-64.7-8.2000111.1Y21 T330 S332 Q337 Q338 H339Y21-N335 HydrophobicContact CD1-CB 3.86Å; Y21-N335 HydrophobicContact CE1-CB 4.01Å; T330-N335 WeakPolarHBondContact O-CB 3.3Å; T330-N335 PolarHBondContact O-ND2 3.49Å; S332-N335 PolarHBondContact O-N 3.32Å; S332-N335 PolarHBondContact OG-N 2.98Å; S332-N335 VanDerWaalsContact OG-N 3.12Å; S332-N335 PolarHBondContact OG-OD1 2.98Å; N335-Q337 VanDerWaalsContact C-N 3.34Å; N335-Q337 PolarHBondContact O-N 2.85Å; N335-Q338 PolarHBondContact O-N 3.22Å; N335-H339 VanDerWaalsContact O-CB 3.29Å; N335-H339 WeakPolarHBondContact O-CB 3.2Å; N335-H339 PolarHBondContact O-N 2.7Å
336I97.5Very high96.4Very high1 Ų128.3 Ų28.31%0.00514%0.143CC..Hα-helixtrans-59.3-46.1174.2-63.7170.9000110.9Y21 C236 L326 T330 S332 M333 H334 Q338 T340Y21-I336 HydrophobicContact CE1-CG1 4.4Å; C236-I336 HydrophobicContact CB-CG2 4.3Å; L326-I336 HydrophobicContact CD1-CD1 3.8Å; L326-I336 HydrophobicContact CD2-CD1 4.27Å; L326-I336 HydrophobicContact CG-CD1 4.16Å; T330-I336 HydrophobicContact CG2-CD1 3.8Å; T330-I336 HydrophobicContact CG2-CG1 3.75Å; T330-I336 WeakPolarHBondContact OG1-CD1 3.4Å; S332-I336 PolarHBondContact O-N 3.19Å; M333-I336 HydrophobicContact CE-CD1 4.4Å; M333-I336 PolarHBondContact O-N 2.8Å; M333-I336 HydrophobicContact SD-CD1 3.63Å; H334-I336 VanDerWaalsContact C-N 3.29Å; H334-I336 PolarHBondContact O-N 3.3Å; I336-Q338 PolarHBondContact O-N 3.09Å; I336-T340 HydrophobicContact CG2-CG2 4.09Å; I336-T340 WeakPolarHBondContact O-CB 3.04Å; I336-T340 WeakPolarHBondContact O-CG2 3.4Å; I336-T340 PolarHBondContact O-N 3.07Å; I336-T340 PolarHBondContact O-OG1 3.22Å
337Q97.9Very high96.4Very high19 Ų1928.2 Ų28.29%0.08914%0.143CC..Hα-helixtrans-58.5-48.9179.1-178-175.630.700111.6C236 M333 H334 N335 T340 F341 P374C236-Q337 WeakPolarHBondContact O-CA 3.18Å; C236-Q337 WeakPolarHBondContact O-CB 3.41Å; C236-Q337 PolarHBondContact O-N 3.43Å; M333-Q337 PolarHBondContact O-N 2.68Å; H334-Q337 WeakPolarHBondContact O-CB 3.21Å; H334-Q337 PolarHBondContact O-N 2.71Å; H334-Q337 VanDerWaalsContact O-N 3.12Å; N335-Q337 VanDerWaalsContact C-N 3.34Å; N335-Q337 PolarHBondContact O-N 2.85Å; Q337-T340 PolarHBondContact O-OG1 3.07Å; Q337-F341 WeakPolarHBondContact O-CB 3.27Å; Q337-F341 PolarHBondContact O-N 3.47Å; Q337-P374 HydrophobicContact CG-CB 3.96Å; Q337-P374 PolarHBondContact NE2-O 2.83Å
338Q96.7Very high96.4Very high42 Ų4224.5 Ų24.520%0.19613%0.128CC..Hα-helixtrans-65.9-47.3-177.7-62.3-61-23.200111.5Q18 H334 N335 I336 G342Q18-Q338 HydrophobicContact CB-CB 4.02Å; H334-Q338 PolarHBondContact CE1-NE2 3.18Å; H334-Q338 WeakPolarHBondContact O-CG 3.24Å; H334-Q338 PolarHBondContact O-N 3.27Å; N335-Q338 PolarHBondContact O-N 3.22Å; I336-Q338 PolarHBondContact O-N 3.09Å; Q338-G342 PolarHBondContact O-N 3.46Å
339H96.8Very high96.5Very high1 Ų118.4 Ų18.41%0.00511%0.105CC..Hα-helixtrans-58.8-53.2177.7168.562.7000112.5Y19 G20 Y21 F25 N335 G342 L343 S464Y19-H339 AromaticContact CD2-CE1 3.66Å; Y19-H339 AromaticContact CD2-ND1 3.52Å; Y19-H339 AromaticContact CE2-CE1 3.58Å; Y19-H339 AromaticContact CE2-ND1 3.95Å; G20-H339 PolarHBondContact N-ND1 2.86Å; G20-H339 VanDerWaalsContact N-ND1 3.12Å; Y21-H339 HydrophobicContact CE1-CB 3.92Å; Y21-H339 AromaticContact CZ-CD2 3.86Å; Y21-H339 PolarHBondContact OH-CD2 2.97Å; F25-H339 AromaticContact CE1-CE1 3.76Å; F25-H339 AromaticContact CZ-CE1 3.6Å; F25-H339 AromaticContact CZ-NE2 3.6Å; N335-H339 VanDerWaalsContact O-CB 3.29Å; N335-H339 WeakPolarHBondContact O-CB 3.2Å; N335-H339 PolarHBondContact O-N 2.7Å; H339-G342 PolarHBondContact O-N 3.17Å; H339-L343 WeakPolarHBondContact O-CG 3.31Å; H339-L343 PolarHBondContact O-N 3.14Å; H339-L343 VanDerWaalsContact O-N 3.16Å; H339-S464 PolarHBondContact CE1-O 3.16Å; H339-S464 VanDerWaalsContact CE1-O 3.24Å; H339-S464 PolarHBondContact NE2-O 3.23Å
340T97.6Very high96.6Very high2 Ų217.5 Ų17.51%0.01210%0.101CC..Hα-helixtrans-71.1-34.4-175.858.40000112.2I336 Q337 A344 A379 G461I336-T340 HydrophobicContact CG2-CG2 4.09Å; I336-T340 WeakPolarHBondContact O-CB 3.04Å; I336-T340 WeakPolarHBondContact O-CG2 3.4Å; I336-T340 PolarHBondContact O-N 3.07Å; I336-T340 PolarHBondContact O-OG1 3.22Å; Q337-T340 PolarHBondContact O-OG1 3.07Å; T340-A344 WeakPolarHBondContact O-CB 3.49Å; T340-A344 PolarHBondContact O-N 3.38Å; T340-A344 VanDerWaalsContact O-N 3.08Å; T340-A379 WeakPolarHBondContact O-CB 3.41Å; T340-G461 VanDerWaalsContact CG2-C 3.49Å; T340-G461 WeakPolarHBondContact CG2-O 3.29Å
341F97.1Very high96.7Very high16 Ų1617.4 Ų17.47%0.0710%0.1CC..Hα-helixtrans-63.4-43.8171.1176-100.4000111.5Q337 L343 A344 R345 F371 S373 P374 Q377Q337-F341 WeakPolarHBondContact O-CB 3.27Å; Q337-F341 PolarHBondContact O-N 3.47Å; F341-L343 PolarHBondContact O-N 2.93Å; F341-A344 PolarHBondContact O-N 3.32Å; F341-R345 HydrophobicContact CE1-CB 4.26Å; F341-R345 HydrophobicContact CZ-CB 4.34Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 3.07Å; F341-F371 HydrophobicContact CE2-CB 4.36Å; F341-F371 HydrophobicContact CE2-CD1 4.29Å; F341-F371 WeakPolarHBondContact CZ-O 3.47Å; F341-S373 WeakPolarHBondContact CE2-O 3.22Å; F341-P374 HydrophobicContact CB-CB 3.96Å; F341-P374 HydrophobicContact CD1-CB 3.88Å; F341-P374 HydrophobicContact CD1-CG 4.26Å; F341-P374 HydrophobicContact CD2-CB 3.98Å; F341-P374 HydrophobicContact CE1-CB 4.37Å; F341-P374 HydrophobicContact CE1-CG 4.44Å; F341-P374 HydrophobicContact CE2-CB 4.46Å; F341-P374 HydrophobicContact CG-CB 3.66Å; F341-Q377 HydrophobicContact CE2-CB 4.22Å
342G95.9Very high96.7Very high5 Ų515.6 Ų15.65%0.0528%0.08CC..Hα-helixtrans-57.3-46.4177.400000113Q338 H339 R345 Y346Q338-G342 PolarHBondContact O-N 3.46Å; H339-G342 PolarHBondContact O-N 3.17Å; G342-R345 PolarHBondContact O-N 3.47Å; G342-Y346 WeakPolarHBondContact O-CB 3.41Å; G342-Y346 PolarHBondContact O-N 3.42Å
343L97.4Very high96.7Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-60.3-47.2174.5-67.5177000112.4F12 Y19 H339 F341 T347 F460 S464F12-L343 HydrophobicContact CE2-CD2 3.93Å; F12-L343 HydrophobicContact CZ-CD2 3.85Å; Y19-L343 HydrophobicContact CD2-CD2 4.21Å; Y19-L343 HydrophobicContact CE2-CD2 3.94Å; H339-L343 WeakPolarHBondContact O-CG 3.31Å; H339-L343 PolarHBondContact O-N 3.14Å; H339-L343 VanDerWaalsContact O-N 3.16Å; F341-L343 PolarHBondContact O-N 2.93Å; L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 PolarHBondContact O-N 3.1Å; L343-T347 PolarHBondContact O-OG1 3.21Å; L343-F460 HydrophobicContact CB-CB 4.4Å; L343-F460 HydrophobicContact CB-CD1 3.91Å; L343-F460 HydrophobicContact CB-CD2 4.43Å; L343-F460 HydrophobicContact CB-CE1 4.3Å; L343-F460 HydrophobicContact CB-CG 3.98Å; L343-F460 HydrophobicContact CD1-CB 4.4Å; L343-F460 HydrophobicContact CD1-CD1 4.13Å; L343-S464 WeakPolarHBondContact CD1-O 3.41Å
344A96.9Very high96.7Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-66.6-41.8-179.600000112.1T340 F341 T347 Y348 F371 A379 F460T340-A344 WeakPolarHBondContact O-CB 3.49Å; T340-A344 PolarHBondContact O-N 3.38Å; T340-A344 VanDerWaalsContact O-N 3.08Å; F341-A344 PolarHBondContact O-N 3.32Å; A344-T347 PolarHBondContact O-N 3.45Å; A344-Y348 VanDerWaalsContact O-CB 3.31Å; A344-Y348 WeakPolarHBondContact O-CB 3.48Å; A344-Y348 PolarHBondContact O-N 3.33Å; A344-F371 HydrophobicContact CB-CD1 4.22Å; A344-F371 HydrophobicContact CB-CE1 3.71Å; A344-A379 HydrophobicContact CB-CB 4.25Å; A344-F460 HydrophobicContact CB-CD2 3.8Å; A344-F460 HydrophobicContact CB-CE2 4.09Å
345R95.8Very high96.7Very high20 Ų209.4 Ų9.48%0.0755%0.048CC..Hα-helixtrans-63.8-46177.7178.2172.7163.2393.2111.7F341 G342 Y348 M349 F371 L495F341-R345 HydrophobicContact CE1-CB 4.26Å; F341-R345 HydrophobicContact CZ-CB 4.34Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 3.07Å; G342-R345 PolarHBondContact O-N 3.47Å; R345-Y348 WeakPolarHBondContact O-CB 3.43Å; R345-Y348 PolarHBondContact O-N 3.41Å; R345-M349 WeakPolarHBondContact O-CB 3.41Å; R345-M349 PolarHBondContact O-N 2.75Å; R345-F371 HydrophobicContact CB-CB 4.17Å; R345-F371 HydrophobicContact CB-CD1 4.45Å; R345-F371 WeakPolarHBondContact CD-O 3.27Å; R345-F371 HydrophobicContact CG-CB 4.11Å; R345-L495 PolarHBondContact NH1-O 3Å; R345-L495 PolarHBondContact NH2-O 3.26Å
346Y96.1Very high96.7Very high3 Ų36.7 Ų6.71%0.0123%0.034CC..Hα-helixtrans-61-45.9176172.5-102.4000111.6L6 C7 F12 G342 Y348 M349 L350 F466 C469 L473L6-Y346 PolarHBondContact O-OH 3.5Å; C7-Y346 WeakPolarHBondContact CA-OH 3.42Å; F12-Y346 HydrophobicContact CB-CD2 4.13Å; F12-Y346 HydrophobicContact CB-CE2 3.85Å; F12-Y346 AromaticContact CD2-CD1 3.77Å; F12-Y346 HydrophobicContact CD2-CD1 3.77Å; F12-Y346 AromaticContact CD2-CD2 3.78Å; F12-Y346 HydrophobicContact CD2-CD2 3.78Å; F12-Y346 HydrophobicContact CD2-CE1 4.25Å; F12-Y346 HydrophobicContact CD2-CE2 4.27Å; F12-Y346 AromaticContact CD2-CG 3.49Å; F12-Y346 HydrophobicContact CD2-CG 3.49Å; F12-Y346 VanDerWaalsContact CD2-CG 3.49Å; F12-Y346 HydrophobicContact CE2-CD1 4.45Å; F12-Y346 HydrophobicContact CE2-CG 4.18Å; F12-Y346 HydrophobicContact CG-CD2 4.45Å; G342-Y346 WeakPolarHBondContact O-CB 3.41Å; G342-Y346 PolarHBondContact O-N 3.42Å; Y346-Y348 PolarHBondContact O-N 3.43Å; Y346-M349 HydrophobicContact CD2-CE 4.19Å; Y346-M349 PolarHBondContact O-N 2.92Å; Y346-L350 HydrophobicContact CD2-CD1 4.38Å; Y346-L350 HydrophobicContact CE1-CD1 3.8Å; Y346-L350 HydrophobicContact CE2-CD1 3.63Å; Y346-L350 HydrophobicContact CE2-CG 4.2Å; Y346-L350 PolarHBondContact O-N 3.29Å; Y346-L350 VanDerWaalsContact O-N 3.1Å; Y346-L350 VanDerWaalsContact OH-CD1 3.32Å; Y346-L350 WeakPolarHBondContact OH-CD1 3.46Å; Y346-F466 HydrophobicContact CE1-CD2 4.27Å; Y346-F466 AromaticContact CE1-CE2 3.8Å; Y346-F466 HydrophobicContact CE1-CE2 3.8Å; Y346-F466 AromaticContact CZ-CE2 3.86Å; Y346-C469 HydrophobicContact CD1-CB 4.06Å; Y346-C469 HydrophobicContact CE1-CB 4.23Å; Y346-L473 HydrophobicContact CD1-CD1 4.38Å; Y346-L473 HydrophobicContact CE1-CD1 3.89Å
347T97.4Very high96.4Very high0 Ų08.2 Ų8.20%05%0.049CC..Hα-helixtrans-62-44.3177.4-53.90000111.4L343 A344 L351 L381 F460 C469 F472 L473L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 PolarHBondContact O-N 3.1Å; L343-T347 PolarHBondContact O-OG1 3.21Å; A344-T347 PolarHBondContact O-N 3.45Å; T347-L351 WeakPolarHBondContact O-CB 3.43Å; T347-L351 PolarHBondContact O-N 2.94Å; T347-L381 HydrophobicContact CG2-CD2 3.86Å; T347-F460 HydrophobicContact CG2-CZ 4.22Å; T347-F460 VanDerWaalsContact OG1-CZ 3.29Å; T347-F460 WeakPolarHBondContact OG1-CZ 3.47Å; T347-C469 PolarHBondContact OG1-SG 3.45Å; T347-F472 HydrophobicContact CG2-CD1 3.77Å; T347-F472 HydrophobicContact CG2-CE1 3.89Å; T347-L473 HydrophobicContact CG2-CD2 4.29Å; T347-L473 HydrophobicContact CG2-CG 4.43Å
348Y97Very high96.3Very high4 Ų411.3 Ų11.32%0.0167%0.067CC..Hα-helixtrans-57.6-50.2174.6166.5-104.8000111.5A344 R345 Y346 L350 L351 S352 I365 T367 Q370 F371 L381 L495A344-Y348 VanDerWaalsContact O-CB 3.31Å; A344-Y348 WeakPolarHBondContact O-CB 3.48Å; A344-Y348 PolarHBondContact O-N 3.33Å; R345-Y348 WeakPolarHBondContact O-CB 3.43Å; R345-Y348 PolarHBondContact O-N 3.41Å; Y346-Y348 PolarHBondContact O-N 3.43Å; Y348-L350 PolarHBondContact O-N 2.7Å; Y348-L351 PolarHBondContact O-N 3.48Å; Y348-S352 WeakPolarHBondContact O-CB 3.27Å; Y348-S352 PolarHBondContact O-N 2.8Å; Y348-S352 PolarHBondContact O-OG 3.39Å; Y348-I365 HydrophobicContact CD2-CD1 3.73Å; Y348-I365 HydrophobicContact CD2-CG2 3.98Å; Y348-I365 HydrophobicContact CE2-CB 4.44Å; Y348-I365 HydrophobicContact CE2-CD1 3.94Å; Y348-I365 HydrophobicContact CE2-CG2 3.99Å; Y348-T367 HydrophobicContact CD2-CG2 4.45Å; Y348-T367 HydrophobicContact CE2-CG2 3.74Å; Y348-Q370 HydrophobicContact CE1-CB 4.3Å; Y348-Q370 WeakPolarHBondContact CE1-O 3.27Å; Y348-F371 HydrophobicContact CD1-CB 3.83Å; Y348-F371 AromaticContact CD1-CD2 3.61Å; Y348-F371 HydrophobicContact CD1-CD2 3.61Å; Y348-F371 AromaticContact CD1-CG 3.98Å; Y348-F371 HydrophobicContact CD1-CG 3.98Å; Y348-F371 AromaticContact CD2-CD2 3.54Å; Y348-F371 HydrophobicContact CD2-CD2 3.54Å; Y348-F371 AromaticContact CD2-CE2 3.69Å; Y348-F371 HydrophobicContact CD2-CE2 3.69Å; Y348-F371 HydrophobicContact CE1-CB 4.38Å; Y348-F371 HydrophobicContact CE1-CD2 4.14Å; Y348-F371 HydrophobicContact CE2-CD2 4.09Å; Y348-F371 HydrophobicContact CE2-CE2 4.39Å; Y348-F371 HydrophobicContact CG-CB 4.28Å; Y348-F371 AromaticContact CG-CD2 3.28Å; Y348-F371 HydrophobicContact CG-CD2 3.28Å; Y348-F371 AromaticContact CG-CE2 3.76Å; Y348-F371 HydrophobicContact CG-CE2 3.76Å; Y348-F371 AromaticContact CG-CG 3.91Å; Y348-F371 HydrophobicContact CG-CG 3.91Å; Y348-L381 HydrophobicContact CD2-CD1 3.85Å; Y348-L381 HydrophobicContact CG-CD1 4.44Å; Y348-L495 HydrophobicContact CE1-CD1 4.14Å; Y348-L495 HydrophobicContact CE1-CD2 3.88Å
349M95.4Very high96.2Very high4 Ų411.6 Ų11.62%0.028%0.081CC..Hα-helixtrans-57.3-52.9-177.1-177.8-177.963.900110.9C15 R345 Y346 S352 S353 L492 L495 K496C15-M349 HydrophobicContact CB-CE 4.15Å; C15-M349 VanDerWaalsContact SG-CE 3.53Å; R345-M349 WeakPolarHBondContact O-CB 3.41Å; R345-M349 PolarHBondContact O-N 2.75Å; Y346-M349 HydrophobicContact CD2-CE 4.19Å; Y346-M349 PolarHBondContact O-N 2.92Å; M349-S352 PolarHBondContact O-N 3.06Å; M349-S352 PolarHBondContact O-OG 3.24Å; M349-S353 PolarHBondContact O-N 3.47Å; M349-S353 PolarHBondContact O-OG 3.23Å; M349-L492 HydrophobicContact CE-CD1 4.07Å; M349-L492 HydrophobicContact CG-CD1 3.56Å; M349-L492 HydrophobicContact SD-CD1 3.73Å; M349-L495 HydrophobicContact CG-CB 3.88Å; M349-L495 HydrophobicContact CG-CD1 4.22Å; M349-L495 HydrophobicContact SD-CB 4.43Å; M349-K496 HydrophobicContact SD-CG 3.73Å
350L96.2Very high96.1Very high3 Ų317.3 Ų17.32%0.01610%0.102CC..Hα-helixtrans-68.6-43.9-178.6-66.1-172000112.9L6 Y346 Y348 S352 S353 L354 L473 L492L6-L350 HydrophobicContact CB-CD1 4.41Å; L6-L350 HydrophobicContact CB-CD2 3.91Å; L6-L350 HydrophobicContact CD1-CD2 4.17Å; L6-L350 HydrophobicContact CG-CD2 4.43Å; Y346-L350 HydrophobicContact CD2-CD1 4.38Å; Y346-L350 HydrophobicContact CE1-CD1 3.8Å; Y346-L350 HydrophobicContact CE2-CD1 3.63Å; Y346-L350 HydrophobicContact CE2-CG 4.2Å; Y346-L350 PolarHBondContact O-N 3.29Å; Y346-L350 VanDerWaalsContact O-N 3.1Å; Y346-L350 VanDerWaalsContact OH-CD1 3.32Å; Y346-L350 WeakPolarHBondContact OH-CD1 3.46Å; Y348-L350 PolarHBondContact O-N 2.7Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.31Å; L350-S353 PolarHBondContact O-N 3.05Å; L350-L354 WeakPolarHBondContact O-CB 2.96Å; L350-L354 PolarHBondContact O-N 3.38Å; L350-L354 VanDerWaalsContact O-N 3.09Å; L350-L473 HydrophobicContact CB-CD1 3.93Å; L350-L473 HydrophobicContact CB-CD2 3.98Å; L350-L473 HydrophobicContact CD1-CD1 3.63Å; L350-L473 HydrophobicContact CG-CD1 4.34Å; L350-L492 HydrophobicContact CD2-CD1 4.19Å
351L96.9Very high96.1Very high0 Ų020.3 Ų20.30%012%0.122CC..Hα-helixtrans-62.8-38.4178.6-175.861.5000111.6T347 Y348 S353 L354 A363 I365 L381 F383 L385 F472 L473 V476T347-L351 WeakPolarHBondContact O-CB 3.43Å; T347-L351 PolarHBondContact O-N 2.94Å; Y348-L351 PolarHBondContact O-N 3.48Å; L351-S353 VanDerWaalsContact C-N 3.32Å; L351-S353 PolarHBondContact O-N 2.84Å; L351-L354 PolarHBondContact O-N 3Å; L351-A363 HydrophobicContact CD1-CB 3.81Å; L351-A363 HydrophobicContact CD2-CB 4.17Å; L351-A363 HydrophobicContact CG-CB 3.71Å; L351-I365 HydrophobicContact CB-CD1 4.33Å; L351-I365 HydrophobicContact CD2-CD1 4.26Å; L351-I365 HydrophobicContact CG-CD1 4.2Å; L351-L381 HydrophobicContact CD2-CD2 4.02Å; L351-F383 HydrophobicContact CD2-CD1 4.03Å; L351-F383 HydrophobicContact CD2-CD2 4.13Å; L351-F383 HydrophobicContact CD2-CE1 4.29Å; L351-F383 HydrophobicContact CD2-CE2 4.38Å; L351-F383 HydrophobicContact CD2-CG 3.97Å; L351-F383 HydrophobicContact CD2-CZ 4.49Å; L351-L385 HydrophobicContact CD1-CD2 4.42Å; L351-F472 HydrophobicContact CD2-CE1 4.4Å; L351-L473 HydrophobicContact CB-CD2 4.16Å; L351-V476 HydrophobicContact CD1-CG1 3.99Å
352S95.8Very high96.2Very high10 Ų1019.5 Ų19.57%0.0712%0.118CC..Hα-helixtrans-71.7-26.8-179.382.20000113.6Y348 M349 L350 R491 L495Y348-S352 WeakPolarHBondContact O-CB 3.27Å; Y348-S352 PolarHBondContact O-N 2.8Å; Y348-S352 PolarHBondContact O-OG 3.39Å; M349-S352 PolarHBondContact O-N 3.06Å; M349-S352 PolarHBondContact O-OG 3.24Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.31Å; S352-R491 WeakPolarHBondContact O-CD 3.11Å; S352-R491 PolarHBondContact O-NE 2.99Å; S352-R491 PolarHBondContact OG-NE 2.98Å; S352-L495 WeakPolarHBondContact OG-CD1 3.29Å
353S96.1Very high96.2Very high0 Ų019.8 Ų19.80%012%0.12CC..Hα-helixtrans-93.8-5.4178.4-69.10000113.1M349 L350 L351 V487 D488 L492M349-S353 PolarHBondContact O-N 3.47Å; M349-S353 PolarHBondContact O-OG 3.23Å; L350-S353 PolarHBondContact O-N 3.05Å; L351-S353 VanDerWaalsContact C-N 3.32Å; L351-S353 PolarHBondContact O-N 2.84Å; S353-V487 CarbonylContact O-C 3.44Å; S353-V487 VanDerWaalsContact O-CA 3.31Å; S353-V487 WeakPolarHBondContact O-CA 3.38Å; S353-D488 PolarHBondContact O-N 3.11Å; S353-L492 WeakPolarHBondContact OG-CA 3.36Å; S353-L492 PolarHBondContact OG-N 3.08Å
354L96.8Very high96.2Very high0 Ų023.8 Ų23.80%014%0.139CC..EExtended strand (participates in β ladder)trans-75.7130.2-177-165.260.2000111F3 L350 L351 V362 V476 A477 V481 V485F3-L354 HydrophobicContact CD2-CD1 3.38Å; F3-L354 HydrophobicContact CE2-CD1 3.45Å; F3-L354 VanDerWaalsContact CE2-CD1 3.45Å; F3-L354 HydrophobicContact CE2-CD2 4.19Å; F3-L354 HydrophobicContact CE2-CG 4.38Å; F3-L354 HydrophobicContact CG-CD1 4.01Å; F3-L354 HydrophobicContact CZ-CD1 4.14Å; F3-L354 HydrophobicContact CZ-CD2 4.34Å; L350-L354 WeakPolarHBondContact O-CB 2.96Å; L350-L354 PolarHBondContact O-N 3.38Å; L350-L354 VanDerWaalsContact O-N 3.09Å; L351-L354 PolarHBondContact O-N 3Å; L354-V362 HydrophobicContact CB-CB 4.26Å; L354-V362 HydrophobicContact CB-CG2 4.39Å; L354-V362 HydrophobicContact CD2-CB 4.4Å; L354-V362 HydrophobicContact CD2-CG1 4.19Å; L354-V362 HydrophobicContact CD2-CG2 4.47Å; L354-V362 HydrophobicContact CG-CB 4.24Å; L354-V362 HydrophobicContact CG-CG2 4.02Å; L354-V362 WeakPolarHBondContact O-CB 3.49Å; L354-V362 WeakPolarHBondContact O-CG2 3.49Å; L354-V362 PolarHBondContact O-N 2.88Å; L354-V476 HydrophobicContact CD2-CG1 4.07Å; L354-A477 HydrophobicContact CD2-CB 4.47Å; L354-V481 HydrophobicContact CD2-CG2 3.88Å; L354-V481 HydrophobicContact CG-CG2 4.23Å; L354-V485 HydrophobicContact CD1-CG1 3.57Å
355C97.1Very high96.2Very high9 Ų925.3 Ų25.36%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-128.1150.4-178-67.70000112.4R360 V481 T486C355-R360 CarbonylContact C-O 3.54Å; C355-R360 WeakPolarHBondContact CA-O 3.15Å; C355-R360 WeakPolarHBondContact CB-O 3.44Å; C355-V481 WeakPolarHBondContact O-CG1 3.25Å; C355-T486 WeakPolarHBondContact CB-OG1 3.38Å; C355-T486 PolarHBondContact N-O 3.26Å; C355-T486 PolarHBondContact O-N 3.08Å; C355-T486 VanDerWaalsContact O-N 3.1Å; C355-T486 PolarHBondContact O-OG1 2.77Å
356H96.1Very high96.2Very high2 Ų224.7 Ų24.71%0.00914%0.144CC..  trans-65.9166.1166.7-63.9-92.3000110.7N358 G359 R360 L386 D387 S388 F480 E482 T486H356-N358 WeakPolarHBondContact CB-OD1 3.47Å; H356-N358 PolarHBondContact O-N 2.87Å; H356-G359 PolarHBondContact O-N 3.26Å; H356-R360 PolarHBondContact CD2-O 3.32Å; H356-R360 PolarHBondContact N-O 2.66Å; H356-L386 PolarHBondContact CE1-O 3.27Å; H356-L386 PolarHBondContact NE2-O 3.14Å; H356-L386 VanDerWaalsContact NE2-O 3.08Å; H356-D387 PolarHBondContact NE2-O 3.43Å; H356-S388 PolarHBondContact CE1-N 3.44Å; H356-F480 PolarHBondContact CE1-O 2.73Å; H356-E482 HydrophobicContact CB-CB 4.41Å; H356-E482 PolarHBondContact ND1-N 3.34Å; H356-T486 PolarHBondContact O-OG1 3.47Å
357G92.4Very high95.9Very high32 Ų3225.9 Ų25.933%0.3315%0.152SC..THydrogen-bonded Turntrans-56.6-21.9176.400000114.7G359 E482 P484G357-G359 VanDerWaalsContact C-N 3.34Å; G357-E482 PolarHBondContact N-O 3.48Å; G357-P484 WeakPolarHBondContact CA-O 3.33Å; G357-P484 PolarHBondContact N-O 3.48Å
358N94.1Very high95.2Very high85 Ų8530.4 Ų30.446%0.45517%0.173SC..THydrogen-bonded Turntrans-89.26.6175.170.93.3000114.3H356 R360 S388H356-N358 WeakPolarHBondContact CB-OD1 3.47Å; H356-N358 PolarHBondContact O-N 2.87Å; N358-R360 VanDerWaalsContact C-N 3.34Å; N358-R360 PolarHBondContact O-N 3.47Å; N358-R360 WeakPolarHBondContact OD1-CB 3.44Å; N358-R360 PolarHBondContact OD1-N 3.49Å; N358-R360 VanDerWaalsContact OD1-N 3.09Å; N358-S388 PolarHBondContact ND2-O 3.46Å
359G94.3Very high94.3Very high48 Ų4831.3 Ų31.350%0.49518%0.183SC..SBendtrans82.3-2177.600000115.7H356 G357H356-G359 PolarHBondContact O-N 3.26Å; G357-G359 VanDerWaalsContact C-N 3.34Å
360R96.4Very high93.9Very high121 Ų12134.4 Ų34.446%0.45720%0.198SC..  trans-75.5148.2176.4-67.5-169.6-176.9-171.20.8111.9C355 H356 N358 S388 S389C355-R360 CarbonylContact C-O 3.54Å; C355-R360 WeakPolarHBondContact CA-O 3.15Å; C355-R360 WeakPolarHBondContact CB-O 3.44Å; H356-R360 PolarHBondContact CD2-O 3.32Å; H356-R360 PolarHBondContact N-O 2.66Å; N358-R360 VanDerWaalsContact C-N 3.34Å; N358-R360 PolarHBondContact O-N 3.47Å; N358-R360 WeakPolarHBondContact OD1-CB 3.44Å; N358-R360 PolarHBondContact OD1-N 3.49Å; N358-R360 VanDerWaalsContact OD1-N 3.09Å; R360-S388 WeakPolarHBondContact CD-O 3.41Å; R360-S389 PolarHBondContact NH1-O 3.44Å
361P97.4Very high93.7Very high64 Ų6434.3 Ų34.342%0.41620%0.197SC..BIsolated β-bridgetrans-67.9147.2-179.828.6-35.5000112L386P361-L386 HydrophobicContact CG-CD1 4.24Å
362V97.8Very high93.4Very high0 Ų039 Ų390%022%0.219CC..SBendtrans-88-21-179170.10000112.7L354 L385 L386 V476 V481L354-V362 HydrophobicContact CB-CB 4.26Å; L354-V362 HydrophobicContact CB-CG2 4.39Å; L354-V362 HydrophobicContact CD2-CB 4.4Å; L354-V362 HydrophobicContact CD2-CG1 4.19Å; L354-V362 HydrophobicContact CD2-CG2 4.47Å; L354-V362 HydrophobicContact CG-CB 4.24Å; L354-V362 HydrophobicContact CG-CG2 4.02Å; L354-V362 WeakPolarHBondContact O-CB 3.49Å; L354-V362 WeakPolarHBondContact O-CG2 3.49Å; L354-V362 PolarHBondContact O-N 2.88Å; V362-L385 HydrophobicContact CG1-CD2 4.32Å; V362-L385 CarbonylContact O-C 3.56Å; V362-L385 WeakPolarHBondContact O-CA 3.36Å; V362-L386 PolarHBondContact O-N 3.13Å; V362-V476 HydrophobicContact CG1-CG1 3.77Å; V362-V481 HydrophobicContact CB-CG2 4.28Å; V362-V481 HydrophobicContact CG1-CG2 3.72Å; V362-V481 HydrophobicContact CG2-CB 4.37Å; V362-V481 HydrophobicContact CG2-CG1 4.07Å; V362-V481 HydrophobicContact CG2-CG2 3.57Å
363A97.6Very high93.3Very high11 Ų1140 Ų409%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-139.6139.2-175.700000112.3L351 I365 N384 L385L351-A363 HydrophobicContact CD1-CB 3.81Å; L351-A363 HydrophobicContact CD2-CB 4.17Å; L351-A363 HydrophobicContact CG-CB 3.71Å; A363-I365 HydrophobicContact CB-CG1 4.27Å; A363-N384 WeakPolarHBondContact CA-O 3.32Å; A363-L385 HydrophobicContact CB-CD2 4.1Å
364Q96.7Very high93.2Very high83 Ų8341 Ų4139%0.38823%0.232SC..EExtended strand (participates in β ladder)trans-98.6112163.3-176.4-178.77.600108.3Y366 F383 N384 L386Q364-Y366 HydrophobicContact CG-CE1 3.92Å; Q364-Y366 PolarHBondContact OE1-OH 2.91Å; Q364-F383 CarbonylContact O-C 3.6Å; Q364-F383 WeakPolarHBondContact O-CA 3.18Å; Q364-F383 VanDerWaalsContact O-CB 3.28Å; Q364-F383 WeakPolarHBondContact O-CB 3.35Å; Q364-N384 PolarHBondContact N-O 2.83Å; Q364-N384 PolarHBondContact O-N 3.1Å; Q364-L386 HydrophobicContact CB-CD1 4.4Å; Q364-L386 HydrophobicContact CB-CD2 4.39Å
365I96.8Very high93.1Very high32 Ų3247.1 Ų47.116%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-100.6133.8-176-55.3178.4000110.2Y348 L351 A363 T367 L381 N382 F383Y348-I365 HydrophobicContact CD2-CD1 3.73Å; Y348-I365 HydrophobicContact CD2-CG2 3.98Å; Y348-I365 HydrophobicContact CE2-CB 4.44Å; Y348-I365 HydrophobicContact CE2-CD1 3.94Å; Y348-I365 HydrophobicContact CE2-CG2 3.99Å; L351-I365 HydrophobicContact CB-CD1 4.33Å; L351-I365 HydrophobicContact CD2-CD1 4.26Å; L351-I365 HydrophobicContact CG-CD1 4.2Å; A363-I365 HydrophobicContact CB-CG1 4.27Å; I365-T367 HydrophobicContact CG2-CG2 4.03Å; I365-L381 HydrophobicContact CD1-CD1 4.39Å; I365-L381 HydrophobicContact CG2-CD1 3.48Å; I365-L381 VanDerWaalsContact CG2-CD1 3.48Å; I365-N382 WeakPolarHBondContact CG2-O 3.37Å; I365-F383 HydrophobicContact CB-CB 4.41Å; I365-F383 HydrophobicContact CG1-CB 4.02Å
366Y95.6Very high93Very high8 Ų849.9 Ų49.93%0.03128%0.281CS..  trans-98.985.6-179.2-53.2-60.9000110.6Q364 N382 N384 F423 L424Q364-Y366 HydrophobicContact CG-CE1 3.92Å; Q364-Y366 PolarHBondContact OE1-OH 2.91Å; Y366-N382 WeakPolarHBondContact CD2-OD1 3.13Å; Y366-N382 PolarHBondContact N-O 2.77Å; Y366-N384 HydrophobicContact CE2-CB 4.3Å; Y366-N384 WeakPolarHBondContact CE2-ND2 3.41Å; Y366-N384 PolarHBondContact OH-ND2 2.93Å; Y366-F423 HydrophobicContact CD1-CB 3.9Å; Y366-F423 HydrophobicContact CD1-CD1 4.28Å; Y366-F423 HydrophobicContact CD1-CG 4.46Å; Y366-F423 HydrophobicContact CG-CB 4.07Å; Y366-F423 HydrophobicContact CG-CD1 4.42Å; Y366-F423 HydrophobicContact CG-CG 4.43Å; Y366-L424 HydrophobicContact CD2-CD2 4.43Å; Y366-L424 HydrophobicContact CE1-CD2 3.83Å; Y366-L424 HydrophobicContact CE2-CD2 3.64Å; Y366-L424 VanDerWaalsContact OH-CD2 3.25Å; Y366-L424 WeakPolarHBondContact OH-CD2 3.44Å
367T90.9Very high93.1Very high27 Ų2749.8 Ų49.817%0.16628%0.28CS..  trans-145.3149174.6-178.10000109.9Y348 I365 G369 F371 Q377Y348-T367 HydrophobicContact CD2-CG2 4.45Å; Y348-T367 HydrophobicContact CE2-CG2 3.74Å; I365-T367 HydrophobicContact CG2-CG2 4.03Å; T367-G369 PolarHBondContact OG1-N 3.43Å; T367-F371 HydrophobicContact CG2-CE2 4.37Å; T367-Q377 PolarHBondContact OG1-OE1 2.77Å
368E82.1Confident93.3Very high95 Ų9548.4 Ų48.444%0.44427%0.266SS..SBendtrans-100.1-24.3176.1-66.7-178.9166.300112.6R199 F423R199-E368 IonicContact CZ-OE2 2.72Å; R199-E368 IonicContact NE-OE2 2.76Å; R199-E368 IonicContact NH1-OE1 3.97Å; R199-E368 IonicContact NH1-OE2 3.51Å; R199-E368 PolarHBondContact NH1-OE2 2.83Å; R199-E368 IonicContact NH2-OE2 3.44Å; E368-F423 HydrophobicContact CG-CE1 4.14Å; E368-F423 HydrophobicContact CG-CZ 4.14Å
369G78.5Confident93.4Very high23 Ų2344.5 Ų44.524%0.23725%0.246CC..SBendtrans-114.118.3-168.300000115.5T367 F371 E372T367-G369 PolarHBondContact OG1-N 3.43Å; G369-F371 PolarHBondContact O-N 3.49Å; G369-E372 WeakPolarHBondContact O-CG 3.16Å; G369-E372 PolarHBondContact O-N 2.95Å; G369-E372 VanDerWaalsContact O-N 3.08Å
370Q85.8Confident93.6Very high69 Ų6942.4 Ų42.432%0.32222%0.223SC..THydrogen-bonded Turntrans43.724.1172.2-55.4-172.428.600117.3Y348 E372Y348-Q370 HydrophobicContact CE1-CB 4.3Å; Y348-Q370 WeakPolarHBondContact CE1-O 3.27Å; Q370-E372 VanDerWaalsContact C-N 3.28Å; Q370-E372 HydrophobicContact CB-CG 4.18Å; Q370-E372 PolarHBondContact O-N 2.77Å
371F91.9Very high93.6Very high1 Ų136.7 Ų36.70%0.00420%0.202CC..THydrogen-bonded Turntrans52.244.7-174.1-68-103.5000113.1F341 A344 R345 Y348 T367 G369 Q377 I380 L381F341-F371 HydrophobicContact CE2-CB 4.36Å; F341-F371 HydrophobicContact CE2-CD1 4.29Å; F341-F371 WeakPolarHBondContact CZ-O 3.47Å; A344-F371 HydrophobicContact CB-CD1 4.22Å; A344-F371 HydrophobicContact CB-CE1 3.71Å; R345-F371 HydrophobicContact CB-CB 4.17Å; R345-F371 HydrophobicContact CB-CD1 4.45Å; R345-F371 WeakPolarHBondContact CD-O 3.27Å; R345-F371 HydrophobicContact CG-CB 4.11Å; Y348-F371 HydrophobicContact CD1-CB 3.83Å; Y348-F371 AromaticContact CD1-CD2 3.61Å; Y348-F371 HydrophobicContact CD1-CD2 3.61Å; Y348-F371 AromaticContact CD1-CG 3.98Å; Y348-F371 HydrophobicContact CD1-CG 3.98Å; Y348-F371 AromaticContact CD2-CD2 3.54Å; Y348-F371 HydrophobicContact CD2-CD2 3.54Å; Y348-F371 AromaticContact CD2-CE2 3.69Å; Y348-F371 HydrophobicContact CD2-CE2 3.69Å; Y348-F371 HydrophobicContact CE1-CB 4.38Å; Y348-F371 HydrophobicContact CE1-CD2 4.14Å; Y348-F371 HydrophobicContact CE2-CD2 4.09Å; Y348-F371 HydrophobicContact CE2-CE2 4.39Å; Y348-F371 HydrophobicContact CG-CB 4.28Å; Y348-F371 AromaticContact CG-CD2 3.28Å; Y348-F371 HydrophobicContact CG-CD2 3.28Å; Y348-F371 AromaticContact CG-CE2 3.76Å; Y348-F371 HydrophobicContact CG-CE2 3.76Å; Y348-F371 AromaticContact CG-CG 3.91Å; Y348-F371 HydrophobicContact CG-CG 3.91Å; T367-F371 HydrophobicContact CG2-CE2 4.37Å; G369-F371 PolarHBondContact O-N 3.49Å; F371-Q377 HydrophobicContact CD1-CG 3.49Å; F371-Q377 VanDerWaalsContact CD1-CG 3.49Å; F371-Q377 HydrophobicContact CD2-CG 4.15Å; F371-Q377 HydrophobicContact CE1-CG 3.55Å; F371-Q377 HydrophobicContact CE2-CG 4.22Å; F371-Q377 HydrophobicContact CG-CG 3.81Å; F371-Q377 HydrophobicContact CZ-CG 3.94Å; F371-I380 WeakPolarHBondContact CZ-O 3.5Å; F371-L381 HydrophobicContact CE2-CD1 3.71Å; F371-L381 HydrophobicContact CZ-CB 4.2Å; F371-L381 HydrophobicContact CZ-CD1 3.82Å
372E90.9Very high93.6Very high98 Ų9833.7 Ų33.746%0.45818%0.182SC..  trans-76.9-38.9179.4-59.9-177.7165.600112.3G369 Q370 V498G369-E372 WeakPolarHBondContact O-CG 3.16Å; G369-E372 PolarHBondContact O-N 2.95Å; G369-E372 VanDerWaalsContact O-N 3.08Å; Q370-E372 VanDerWaalsContact C-N 3.28Å; Q370-E372 HydrophobicContact CB-CG 4.18Å; Q370-E372 PolarHBondContact O-N 2.77Å; E372-V498 HydrophobicContact CB-CG1 4.13Å; E372-V498 HydrophobicContact CG-CG1 3.48Å; E372-V498 VanDerWaalsContact CG-CG1 3.48Å
373S93.2Very high93.6Very high33 Ų3333.7 Ų33.723%0.23118%0.182CC..  trans-140.6141-175.41780000113F341 I375 T376 Q377F341-S373 WeakPolarHBondContact CE2-O 3.22Å; S373-I375 PolarHBondContact O-N 3.12Å; S373-I375 VanDerWaalsContact O-N 3.16Å; S373-I375 WeakPolarHBondContact OG-CB 3.38Å; S373-I375 PolarHBondContact OG-N 3.49Å; S373-I375 VanDerWaalsContact OG-N 3.14Å; S373-T376 PolarHBondContact O-N 3.28Å; S373-T376 PolarHBondContact O-OG1 3.27Å; S373-Q377 PolarHBondContact O-N 2.81Å; S373-Q377 VanDerWaalsContact O-N 3.07Å
374P94.8Very high93.7Very high19 Ų1933.2 Ų33.212%0.12318%0.178CC..THydrogen-bonded Turntrans-65-13.5171.426.6-33.9000113K200 Q337 F341K200-P374 PolarHBondContact NZ-O 3.37Å; Q337-P374 HydrophobicContact CG-CB 3.96Å; Q337-P374 PolarHBondContact NE2-O 2.83Å; F341-P374 HydrophobicContact CB-CB 3.96Å; F341-P374 HydrophobicContact CD1-CB 3.88Å; F341-P374 HydrophobicContact CD1-CG 4.26Å; F341-P374 HydrophobicContact CD2-CB 3.98Å; F341-P374 HydrophobicContact CE1-CB 4.37Å; F341-P374 HydrophobicContact CE1-CG 4.44Å; F341-P374 HydrophobicContact CE2-CB 4.46Å; F341-P374 HydrophobicContact CG-CB 3.66Å
375I94.9Very high93.7Very high129 Ų12929.3 Ų29.366%0.66216%0.159SC*.THydrogen-bonded Turntrans-78-38.1177.5-59174.7000110.8K200 S373K200-I375 VanDerWaalsContact CB-O 3.31Å; K200-I375 WeakPolarHBondContact CB-O 3.32Å; K200-I375 WeakPolarHBondContact CD-O 3.4Å; S373-I375 PolarHBondContact O-N 3.12Å; S373-I375 VanDerWaalsContact O-N 3.16Å; S373-I375 WeakPolarHBondContact OG-CB 3.38Å; S373-I375 PolarHBondContact OG-N 3.49Å; S373-I375 VanDerWaalsContact OG-N 3.14Å
376T95.6Very high93.7Very high67 Ų6728.6 Ų28.641%0.41116%0.156SC..THydrogen-bonded Turntrans-100-15.7-174.256.20000113.4K200 S373K200-T376 PolarHBondContact N-O 3.38Å; S373-T376 PolarHBondContact O-N 3.28Å; S373-T376 PolarHBondContact O-OG1 3.27Å
377Q97Very high93.7Very high1 Ų130.8 Ų30.81%0.00517%0.168CC..BIsolated β-bridgetrans-134.9136.1-178.3-176.266.849.800111.1S197 G198 K200 F341 T367 F371 S373 I380S197-Q377 PolarHBondContact O-NE2 2.92Å; G198-Q377 VanDerWaalsContact C-NE2 3.29Å; G198-Q377 PolarHBondContact O-NE2 2.98Å; K200-Q377 PolarHBondContact NZ-O 3.42Å; F341-Q377 HydrophobicContact CE2-CB 4.22Å; T367-Q377 PolarHBondContact OG1-OE1 2.77Å; F371-Q377 HydrophobicContact CD1-CG 3.49Å; F371-Q377 VanDerWaalsContact CD1-CG 3.49Å; F371-Q377 HydrophobicContact CD2-CG 4.15Å; F371-Q377 HydrophobicContact CE1-CG 3.55Å; F371-Q377 HydrophobicContact CE2-CG 4.22Å; F371-Q377 HydrophobicContact CG-CG 3.81Å; F371-Q377 HydrophobicContact CZ-CG 3.94Å; S373-Q377 PolarHBondContact O-N 2.81Å; S373-Q377 VanDerWaalsContact O-N 3.07Å; Q377-I380 PolarHBondContact NE2-O 2.57Å
378G96.4Very high93.8Very high2 Ų231 Ų312%0.02117%0.17CC..  trans-95.1178.5173.500000112.9G198 I380G198-G378 PolarHBondContact O-N 3.2Å; G378-I380 PolarHBondContact O-N 2.79Å
379A96.6Very high94.4Very high4 Ų429.1 Ų29.13%0.03317%0.168CC..SBendtrans-79.338.1-176.100000114.1T340 A344 S459 F460T340-A379 WeakPolarHBondContact O-CB 3.41Å; A344-A379 HydrophobicContact CB-CB 4.25Å; A379-S459 CarbonylContact O-C 3.46Å; A379-S459 VanDerWaalsContact O-CA 3.22Å; A379-S459 WeakPolarHBondContact O-CA 3.5Å; A379-F460 HydrophobicContact CB-CB 4.27Å; A379-F460 PolarHBondContact O-N 3Å
380I98.1Very high95.1Very high4 Ų429.6 Ų29.62%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-119.6127.2179.8-59.6176.6000108.3A45 F371 Q377 G378 R457A45-I380 HydrophobicContact CB-CD1 3.57Å; A45-I380 HydrophobicContact CB-CG1 3.89Å; F371-I380 WeakPolarHBondContact CZ-O 3.5Å; Q377-I380 PolarHBondContact NE2-O 2.57Å; G378-I380 PolarHBondContact O-N 2.79Å; I380-R457 HydrophobicContact CG2-CG 3.6Å
381L97.5Very high95.5Very high1 Ų131.5 Ų31.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-121.2126.3175.6178.867.9000109.3T347 Y348 L351 I365 F371 F383 R457 V458T347-L381 HydrophobicContact CG2-CD2 3.86Å; Y348-L381 HydrophobicContact CD2-CD1 3.85Å; Y348-L381 HydrophobicContact CG-CD1 4.44Å; L351-L381 HydrophobicContact CD2-CD2 4.02Å; I365-L381 HydrophobicContact CD1-CD1 4.39Å; I365-L381 HydrophobicContact CG2-CD1 3.48Å; I365-L381 VanDerWaalsContact CG2-CD1 3.48Å; F371-L381 HydrophobicContact CE2-CD1 3.71Å; F371-L381 HydrophobicContact CZ-CB 4.2Å; F371-L381 HydrophobicContact CZ-CD1 3.82Å; L381-F383 HydrophobicContact CG-CD1 4.23Å; L381-R457 WeakPolarHBondContact O-CA 3.26Å; L381-V458 HydrophobicContact CB-CG2 3.74Å; L381-V458 HydrophobicContact CD2-CG2 4.08Å; L381-V458 HydrophobicContact CG-CG2 4.25Å; L381-V458 PolarHBondContact N-O 2.89Å; L381-V458 PolarHBondContact O-N 2.87Å; L381-V458 VanDerWaalsContact O-O 3.14Å
382N97.9Very high95.6Very high1 Ų132.8 Ų32.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-125.5131.6-175.4-172.4-20.5000110.1F196 I365 Y366 F414 S455 V456F196-N382 WeakPolarHBondContact CD1-ND2 3.43Å; F196-N382 WeakPolarHBondContact CE1-ND2 3.36Å; F196-N382 WeakPolarHBondContact CG-ND2 3.34Å; F196-N382 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N382 VanDerWaalsContact O-CB 3.24Å; F196-N382 WeakPolarHBondContact O-CB 3.42Å; F196-N382 PolarHBondContact O-ND2 3.24Å; I365-N382 WeakPolarHBondContact CG2-O 3.37Å; Y366-N382 WeakPolarHBondContact CD2-OD1 3.13Å; Y366-N382 PolarHBondContact N-O 2.77Å; N382-F414 VanDerWaalsContact ND2-CE2 3.27Å; N382-F414 WeakPolarHBondContact ND2-CE2 3.27Å; N382-S455 VanDerWaalsContact OD1-CB 3.24Å; N382-S455 WeakPolarHBondContact OD1-CB 3.44Å; N382-S455 PolarHBondContact OD1-OG 2.98Å; N382-V456 WeakPolarHBondContact CA-O 3.35Å; N382-V456 PolarHBondContact OD1-O 3Å
383F98.1Very high95.7Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-160165.2-170.863-82.4000112.3L351 Q364 I365 L381 L385 V456 V458 F472L351-F383 HydrophobicContact CD2-CD1 4.03Å; L351-F383 HydrophobicContact CD2-CD2 4.13Å; L351-F383 HydrophobicContact CD2-CE1 4.29Å; L351-F383 HydrophobicContact CD2-CE2 4.38Å; L351-F383 HydrophobicContact CD2-CG 3.97Å; L351-F383 HydrophobicContact CD2-CZ 4.49Å; Q364-F383 CarbonylContact O-C 3.6Å; Q364-F383 WeakPolarHBondContact O-CA 3.18Å; Q364-F383 VanDerWaalsContact O-CB 3.28Å; Q364-F383 WeakPolarHBondContact O-CB 3.35Å; I365-F383 HydrophobicContact CB-CB 4.41Å; I365-F383 HydrophobicContact CG1-CB 4.02Å; L381-F383 HydrophobicContact CG-CD1 4.23Å; F383-L385 HydrophobicContact CD2-CD2 3.87Å; F383-L385 HydrophobicContact CD2-CG 4.2Å; F383-L385 HydrophobicContact CE2-CD2 3.73Å; F383-L385 HydrophobicContact CE2-CG 3.91Å; F383-V456 HydrophobicContact CE1-CB 4.36Å; F383-V456 HydrophobicContact CE1-CG1 4.17Å; F383-V456 HydrophobicContact CE2-CB 4.07Å; F383-V456 HydrophobicContact CE2-CG1 4.21Å; F383-V456 HydrophobicContact CZ-CB 3.92Å; F383-V456 HydrophobicContact CZ-CG1 3.65Å; F383-V456 PolarHBondContact N-O 3.31Å; F383-V456 PolarHBondContact O-N 2.64Å; F383-V458 HydrophobicContact CE1-CG1 4.13Å; F383-V458 HydrophobicContact CE1-CG2 4.15Å; F383-V458 HydrophobicContact CZ-CG1 4.47Å; F383-F472 AromaticContact CE1-CZ 3.91Å; F383-F472 HydrophobicContact CE1-CZ 3.91Å; F383-F472 HydrophobicContact CE2-CZ 4.29Å; F383-F472 HydrophobicContact CZ-CE1 4.48Å; F383-F472 HydrophobicContact CZ-CE2 4.09Å; F383-F472 AromaticContact CZ-CZ 3.45Å; F383-F472 HydrophobicContact CZ-CZ 3.45Å; F383-F472 VanDerWaalsContact CZ-CZ 3.45Å
384N97.8Very high95.5Very high1 Ų127.8 Ų27.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-117.8146.6158.6-86.3-61.4000109A363 Q364 Y366 I392 G454 S455A363-N384 WeakPolarHBondContact CA-O 3.32Å; Q364-N384 PolarHBondContact N-O 2.83Å; Q364-N384 PolarHBondContact O-N 3.1Å; Y366-N384 HydrophobicContact CE2-CB 4.3Å; Y366-N384 WeakPolarHBondContact CE2-ND2 3.41Å; Y366-N384 PolarHBondContact OH-ND2 2.93Å; N384-I392 HydrophobicContact CB-CG2 3.93Å; N384-G454 PolarHBondContact ND2-O 3.46Å; N384-G454 VanDerWaalsContact ND2-O 3.15Å; N384-S455 WeakPolarHBondContact ND2-CB 3.24Å
385L97.8Very high95.4Very high0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-84.7149.3173.2-64179.9000110L351 V362 A363 F383 I393 V398 V476 F480L351-L385 HydrophobicContact CD1-CD2 4.42Å; V362-L385 HydrophobicContact CG1-CD2 4.32Å; V362-L385 CarbonylContact O-C 3.56Å; V362-L385 WeakPolarHBondContact O-CA 3.36Å; A363-L385 HydrophobicContact CB-CD2 4.1Å; F383-L385 HydrophobicContact CD2-CD2 3.87Å; F383-L385 HydrophobicContact CD2-CG 4.2Å; F383-L385 HydrophobicContact CE2-CD2 3.73Å; F383-L385 HydrophobicContact CE2-CG 3.91Å; L385-I393 HydrophobicContact CB-CB 4.3Å; L385-I393 HydrophobicContact CB-CD1 4.32Å; L385-I393 PolarHBondContact O-N 2.98Å; L385-V398 HydrophobicContact CD1-CG1 4.16Å; L385-V398 HydrophobicContact CD1-CG2 3.94Å; L385-V398 HydrophobicContact CG-CG2 4.41Å; L385-V476 HydrophobicContact CD1-CG1 4.49Å; L385-V476 HydrophobicContact CD2-CG1 3.97Å; L385-F480 HydrophobicContact CD1-CB 4.07Å; L385-F480 HydrophobicContact CD1-CD1 4.08Å; L385-F480 HydrophobicContact CD1-CD2 3.46Å; L385-F480 VanDerWaalsContact CD1-CD2 3.46Å; L385-F480 HydrophobicContact CD1-CE1 4.4Å; L385-F480 HydrophobicContact CD1-CE2 3.83Å; L385-F480 HydrophobicContact CD1-CG 3.59Å; L385-F480 HydrophobicContact CD1-CZ 4.29Å
386L96.9Very high94.9Very high18 Ų1821.2 Ų21.29%0.09413%0.129CC..EExtended strand (participates in β ladder)trans-113.5148.1178.7-55.5177.8000109.3H356 P361 V362 Q364 Q391 I392H356-L386 PolarHBondContact CE1-O 3.27Å; H356-L386 PolarHBondContact NE2-O 3.14Å; H356-L386 VanDerWaalsContact NE2-O 3.08Å; P361-L386 HydrophobicContact CG-CD1 4.24Å; V362-L386 PolarHBondContact O-N 3.13Å; Q364-L386 HydrophobicContact CB-CD1 4.4Å; Q364-L386 HydrophobicContact CB-CD2 4.39Å; L386-Q391 CarbonylContact C-O 3.53Å; L386-Q391 VanDerWaalsContact CA-O 3.27Å; L386-Q391 WeakPolarHBondContact CA-O 3.38Å; L386-I392 HydrophobicContact CD2-CB 4.47Å; L386-I392 HydrophobicContact CD2-CG1 3.59Å
387D94.5Very high94.4Very high54 Ų5420.1 Ų20.129%0.28912%0.119SC..  trans-85.1174.9167.572.517.3000111.3H356 S389 G390 Q391 I393H356-D387 PolarHBondContact NE2-O 3.43Å; D387-S389 VanDerWaalsContact CG-OG 3.28Å; D387-S389 PolarHBondContact O-N 3.22Å; D387-S389 VanDerWaalsContact O-N 3.11Å; D387-S389 VanDerWaalsContact OD1-C 3.24Å; D387-S389 WeakPolarHBondContact OD1-CA 3.36Å; D387-S389 WeakPolarHBondContact OD1-CB 3.4Å; D387-S389 PolarHBondContact OD1-N 3.41Å; D387-S389 PolarHBondContact OD1-OG 2.88Å; D387-S389 PolarHBondContact OD2-OG 3.31Å; D387-G390 WeakPolarHBondContact O-CA 3.43Å; D387-G390 PolarHBondContact O-N 3.05Å; D387-G390 PolarHBondContact OD1-N 3.07Å; D387-Q391 PolarHBondContact N-O 2.97Å; D387-Q391 PolarHBondContact OD1-N 2.81Å; D387-I393 HydrophobicContact CB-CD1 4.26Å; D387-I393 HydrophobicContact CB-CG1 4.18Å
388S94.3Very high94.1Very high30 Ų3020.1 Ų20.121%0.2112%0.119CC..THydrogen-bonded Turntrans-65.4-14.6179.260.10000113.6H356 N358 R360 G390 E482H356-S388 PolarHBondContact CE1-N 3.44Å; N358-S388 PolarHBondContact ND2-O 3.46Å; R360-S388 WeakPolarHBondContact CD-O 3.41Å; S388-G390 VanDerWaalsContact C-N 3.32Å; S388-E482 WeakPolarHBondContact CB-OE2 3.45Å; S388-E482 PolarHBondContact OG-OE2 3.12Å
389S94.1Very high93.7Very high57 Ų5722.8 Ų22.840%0.39913%0.133SC..THydrogen-bonded Turntrans-89.52.3171.382.60000113R360 D387 Q391R360-S389 PolarHBondContact NH1-O 3.44Å; D387-S389 VanDerWaalsContact CG-OG 3.28Å; D387-S389 PolarHBondContact O-N 3.22Å; D387-S389 VanDerWaalsContact O-N 3.11Å; D387-S389 VanDerWaalsContact OD1-C 3.24Å; D387-S389 WeakPolarHBondContact OD1-CA 3.36Å; D387-S389 WeakPolarHBondContact OD1-CB 3.4Å; D387-S389 PolarHBondContact OD1-N 3.41Å; D387-S389 PolarHBondContact OD1-OG 2.88Å; D387-S389 PolarHBondContact OD2-OG 3.31Å; S389-Q391 VanDerWaalsContact C-N 3.28Å; S389-Q391 VanDerWaalsContact OG-CG 3.3Å; S389-Q391 WeakPolarHBondContact OG-CG 3.4Å
390G93.8Very high92.9Very high32 Ų3224.7 Ų24.733%0.3314%0.139SC..SBendtrans75.812.7-179.500000113.9D387 S388D387-G390 WeakPolarHBondContact O-CA 3.43Å; D387-G390 PolarHBondContact O-N 3.05Å; D387-G390 PolarHBondContact OD1-N 3.07Å; S388-G390 VanDerWaalsContact C-N 3.32Å
391Q93.9Very high92.3Very high109 Ų10924.8 Ų24.851%0.50914%0.14SC..PPolyproline II helixtrans-87150.2177.1-61.1-61.2-43.500110.5L386 D387 S389 I393L386-Q391 CarbonylContact C-O 3.53Å; L386-Q391 VanDerWaalsContact CA-O 3.27Å; L386-Q391 WeakPolarHBondContact CA-O 3.38Å; D387-Q391 PolarHBondContact N-O 2.97Å; D387-Q391 PolarHBondContact OD1-N 2.81Å; S389-Q391 VanDerWaalsContact C-N 3.28Å; S389-Q391 VanDerWaalsContact OG-CG 3.3Å; S389-Q391 WeakPolarHBondContact OG-CG 3.4Å; Q391-I393 PolarHBondContact O-N 3.15Å
392I94.6Very high92Very high29 Ų2924.8 Ų24.815%0.14914%0.14CC..EExtended strand (participates in β ladder)trans-74129.9-178.6-68.7169.3000110.4N384 L386 L447 P452N384-I392 HydrophobicContact CB-CG2 3.93Å; L386-I392 HydrophobicContact CD2-CB 4.47Å; L386-I392 HydrophobicContact CD2-CG1 3.59Å; I392-L447 HydrophobicContact CB-CD2 4.32Å; I392-L447 HydrophobicContact CG2-CD2 3.94Å; I392-P452 HydrophobicContact CD1-CB 4.5Å; I392-P452 VanDerWaalsContact CD1-CD 3.49Å; I392-P452 HydrophobicContact CD1-CG 3.67Å; I392-P452 HydrophobicContact CG2-CB 4.29Å
393I91.8Very high91.3Very high20 Ų2027.3 Ų27.310%0.10316%0.157CC..EExtended strand (participates in β ladder)trans-82.1121169.4-56.5-178.9000107.7L385 D387 Q391 Y395 Q397 V398 F480L385-I393 HydrophobicContact CB-CB 4.3Å; L385-I393 HydrophobicContact CB-CD1 4.32Å; L385-I393 PolarHBondContact O-N 2.98Å; D387-I393 HydrophobicContact CB-CD1 4.26Å; D387-I393 HydrophobicContact CB-CG1 4.18Å; Q391-I393 PolarHBondContact O-N 3.15Å; I393-Y395 PolarHBondContact O-N 3.35Å; I393-Q397 HydrophobicContact CG2-CB 4.29Å; I393-Q397 HydrophobicContact CG2-CG 4.39Å; I393-V398 HydrophobicContact CG2-CG2 4.26Å; I393-F480 HydrophobicContact CD1-CB 4.45Å; I393-F480 HydrophobicContact CD1-CD1 3.7Å; I393-F480 HydrophobicContact CD1-CE1 4.48Å; I393-F480 HydrophobicContact CD1-CG 4.49Å; I393-F480 HydrophobicContact CG2-CD1 4.31Å; I393-F480 HydrophobicContact CG2-CE1 4.08Å
394G89.9Confident90.4Very high5 Ų528 Ų285%0.05216%0.161CC..PPolyproline II helixtrans-56.6135.3-178.300000112.8S396 Q397 V398 D446G394-S396 PolarHBondContact O-N 2.85Å; G394-S396 VanDerWaalsContact O-N 3.1Å; G394-Q397 WeakPolarHBondContact O-CB 3.46Å; G394-Q397 PolarHBondContact O-N 3.11Å; G394-V398 PolarHBondContact O-N 3.35Å; G394-D446 WeakPolarHBondContact CA-OD2 3.31Å
395Y91.1Very high89.9Confident2 Ų230.2 Ų30.21%0.00817%0.17CC..Hα-helixtrans-61.2-22.3-175.861.1-106.6000113.4I393 Q397 V398 D399 T411 D446 T453I393-Y395 PolarHBondContact O-N 3.35Å; Y395-Q397 VanDerWaalsContact C-N 3.33Å; Y395-V398 PolarHBondContact O-N 2.94Å; Y395-D399 WeakPolarHBondContact O-CB 3.13Å; Y395-D399 PolarHBondContact O-N 3.07Å; Y395-T411 HydrophobicContact CD2-CG2 4.23Å; Y395-D446 HydrophobicContact CD1-CB 3.61Å; Y395-D446 HydrophobicContact CD2-CB 3.93Å; Y395-D446 HydrophobicContact CE1-CB 3.37Å; Y395-D446 HydrophobicContact CE2-CB 3.73Å; Y395-D446 HydrophobicContact CG-CB 3.87Å; Y395-D446 VanDerWaalsContact CZ-CB 3.45Å; Y395-D446 PolarHBondContact N-OD2 2.82Å; Y395-T453 PolarHBondContact OH-OG1 2.94Å
396S85.4Confident89.5Confident9 Ų933 Ų336%0.06319%0.185CC..Hα-helixtrans-68.8-32.1175.577.60000112.1G394 R400 D446G394-S396 PolarHBondContact O-N 2.85Å; G394-S396 VanDerWaalsContact O-N 3.1Å; S396-R400 WeakPolarHBondContact O-CG 3.31Å; S396-R400 PolarHBondContact O-N 2.93Å; S396-R400 VanDerWaalsContact O-N 3.15Å; S396-R400 PolarHBondContact OG-NH1 2.54Å; S396-R400 PolarHBondContact OG-NH2 2.77Å; S396-D446 WeakPolarHBondContact CA-OD2 3.43Å; S396-D446 WeakPolarHBondContact CB-OD2 3.19Å; S396-D446 PolarHBondContact N-OD2 3.13Å; S396-D446 PolarHBondContact OG-OD2 2.89Å
397Q85.1Confident89.5Confident44 Ų4432.4 Ų32.421%0.20618%0.181CC..Hα-helixtrans-68.4-44.4172.5-176.7176.52.400110I393 G394 Y395 D399 R400 M401 F480I393-Q397 HydrophobicContact CG2-CB 4.29Å; I393-Q397 HydrophobicContact CG2-CG 4.39Å; G394-Q397 WeakPolarHBondContact O-CB 3.46Å; G394-Q397 PolarHBondContact O-N 3.11Å; Y395-Q397 VanDerWaalsContact C-N 3.33Å; Q397-D399 PolarHBondContact O-N 3.26Å; Q397-R400 PolarHBondContact O-N 2.95Å; Q397-M401 WeakPolarHBondContact O-CB 3.44Å; Q397-M401 VanDerWaalsContact O-CG 3.23Å; Q397-M401 WeakPolarHBondContact O-CG 3.42Å; Q397-M401 PolarHBondContact O-N 3.06Å; Q397-F480 HydrophobicContact CG-CE1 4.46Å
398V91.1Very high89.6Confident1 Ų133.6 Ų33.61%0.00619%0.185CC..Hα-helixtrans-62.4-43177.5-172.20000111.4L385 I393 G394 Y395 R400 M401 T402 V456 F480L385-V398 HydrophobicContact CD1-CG1 4.16Å; L385-V398 HydrophobicContact CD1-CG2 3.94Å; L385-V398 HydrophobicContact CG-CG2 4.41Å; I393-V398 HydrophobicContact CG2-CG2 4.26Å; G394-V398 PolarHBondContact O-N 3.35Å; Y395-V398 PolarHBondContact O-N 2.94Å; V398-R400 PolarHBondContact O-N 3.19Å; V398-M401 PolarHBondContact O-N 2.88Å; V398-T402 HydrophobicContact CG1-CG2 4.18Å; V398-T402 WeakPolarHBondContact O-CB 3.27Å; V398-T402 WeakPolarHBondContact O-CG2 3.45Å; V398-T402 PolarHBondContact O-N 2.98Å; V398-T402 PolarHBondContact O-OG1 2.94Å; V398-V456 HydrophobicContact CB-CG2 3.96Å; V398-V456 HydrophobicContact CG1-CG1 4.35Å; V398-V456 HydrophobicContact CG1-CG2 3.96Å; V398-V456 HydrophobicContact CG2-CG2 4.31Å; V398-F480 HydrophobicContact CB-CZ 4.43Å; V398-F480 HydrophobicContact CG1-CZ 4.46Å; V398-F480 HydrophobicContact CG2-CE1 4.29Å; V398-F480 HydrophobicContact CG2-CZ 4.12Å
399D87.6Confident89.7Confident58 Ų5832.8 Ų32.831%0.3118%0.179SC..Hα-helixtrans-60.1-44.6176.1-175.664.8000112.7Y395 Q397 M401 T402 S403 T411Y395-D399 WeakPolarHBondContact O-CB 3.13Å; Y395-D399 PolarHBondContact O-N 3.07Å; Q397-D399 PolarHBondContact O-N 3.26Å; D399-M401 VanDerWaalsContact C-N 3.35Å; D399-M401 PolarHBondContact O-N 2.75Å; D399-T402 WeakPolarHBondContact CA-OG1 3.36Å; D399-T402 PolarHBondContact O-OG1 3.34Å; D399-S403 WeakPolarHBondContact O-CB 3.29Å; D399-S403 PolarHBondContact O-N 3.09Å; D399-S403 PolarHBondContact O-OG 2.95Å; D399-T411 HydrophobicContact CB-CG2 3.92Å
400R80.3Confident89.8Confident43 Ų4335.7 Ų35.716%0.16218%0.181CC..Hα-helixtrans-62.9-42.3175.5-74.9-172.8-68.5-94.21.6111.8S396 Q397 V398 S403 L404 G802S396-R400 WeakPolarHBondContact O-CG 3.31Å; S396-R400 PolarHBondContact O-N 2.93Å; S396-R400 VanDerWaalsContact O-N 3.15Å; S396-R400 PolarHBondContact OG-NH1 2.54Å; S396-R400 PolarHBondContact OG-NH2 2.77Å; Q397-R400 PolarHBondContact O-N 2.95Å; V398-R400 PolarHBondContact O-N 3.19Å; R400-S403 WeakPolarHBondContact O-CB 3.39Å; R400-L404 PolarHBondContact O-N 3.23Å; R400-L404 VanDerWaalsContact O-N 3.15Å; R400-G802 PolarHBondContact NH2-O 3.22Å
401M84.6Confident89.8Confident7 Ų735.5 Ų35.53%0.03417%0.174CC..Hα-helixtrans-71.9-42-178.7-69.4-65.5-7200111.9Q397 V398 D399 S403 L404 Y405 F475 C479 F480 I794Q397-M401 WeakPolarHBondContact O-CB 3.44Å; Q397-M401 VanDerWaalsContact O-CG 3.23Å; Q397-M401 WeakPolarHBondContact O-CG 3.42Å; Q397-M401 PolarHBondContact O-N 3.06Å; V398-M401 PolarHBondContact O-N 2.88Å; D399-M401 VanDerWaalsContact C-N 3.35Å; D399-M401 PolarHBondContact O-N 2.75Å; M401-S403 VanDerWaalsContact C-N 3.31Å; M401-S403 PolarHBondContact O-N 3.48Å; M401-L404 VanDerWaalsContact O-CB 3.32Å; M401-L404 WeakPolarHBondContact O-CB 3.41Å; M401-L404 PolarHBondContact O-N 3.45Å; M401-L404 VanDerWaalsContact O-N 3.14Å; M401-L404 HydrophobicContact SD-CD1 3.85Å; M401-Y405 VanDerWaalsContact O-CD2 3.31Å; M401-Y405 WeakPolarHBondContact O-CD2 3.28Å; M401-Y405 PolarHBondContact O-N 3Å; M401-F475 VanDerWaalsContact C-CE2 3.48Å; M401-F475 HydrophobicContact CB-CE2 3.79Å; M401-F475 HydrophobicContact CB-CZ 3.69Å; M401-F475 WeakPolarHBondContact O-CE2 3.42Å; M401-C479 HydrophobicContact CE-CB 3.81Å; M401-F480 HydrophobicContact CB-CE2 4.24Å; M401-F480 HydrophobicContact CB-CZ 3.8Å; M401-F480 HydrophobicContact CG-CZ 3.87Å; M401-I794 HydrophobicContact CE-CG1 4.08Å
402T90.9Very high89.8Confident1 Ų130.3 Ų30.31%0.00615%0.15CC..Hα-helixtrans-61.7-41.6174.547.10000111V398 D399 L404 Y405 N406 I407 V409 F475V398-T402 HydrophobicContact CG1-CG2 4.18Å; V398-T402 WeakPolarHBondContact O-CB 3.27Å; V398-T402 WeakPolarHBondContact O-CG2 3.45Å; V398-T402 PolarHBondContact O-N 2.98Å; V398-T402 PolarHBondContact O-OG1 2.94Å; D399-T402 WeakPolarHBondContact CA-OG1 3.36Å; D399-T402 PolarHBondContact O-OG1 3.34Å; T402-L404 VanDerWaalsContact C-N 3.31Å; T402-L404 PolarHBondContact O-N 2.91Å; T402-Y405 CarbonylContact O-C 3.56Å; T402-Y405 WeakPolarHBondContact O-CA 3.49Å; T402-Y405 PolarHBondContact O-N 2.91Å; T402-N406 PolarHBondContact O-N 3.23Å; T402-N406 VanDerWaalsContact O-N 3.1Å; T402-I407 CarbonylContact C-O 3.47Å; T402-I407 VanDerWaalsContact C-O 3.31Å; T402-I407 WeakPolarHBondContact CB-O 3.17Å; T402-I407 HydrophobicContact CG2-CB 4.38Å; T402-I407 HydrophobicContact CG2-CG2 4.31Å; T402-I407 PolarHBondContact O-N 2.92Å; T402-V409 HydrophobicContact CG2-CG1 4.02Å; T402-V409 HydrophobicContact CG2-CG2 4.05Å; T402-F475 HydrophobicContact CG2-CD1 4.17Å; T402-F475 HydrophobicContact CG2-CE1 3.29Å; T402-F475 HydrophobicContact CG2-CE2 4.44Å; T402-F475 HydrophobicContact CG2-CZ 3.44Å; T402-F475 VanDerWaalsContact CG2-CZ 3.44Å
403S84.2Confident89.6Confident53 Ų5329.3 Ų29.337%0.37115%0.145SC..Hα-helixtrans-58.2-38.4172.9-65.10000113.3D399 R400 M401 Y405 N406 Q777D399-S403 WeakPolarHBondContact O-CB 3.29Å; D399-S403 PolarHBondContact O-N 3.09Å; D399-S403 PolarHBondContact O-OG 2.95Å; R400-S403 WeakPolarHBondContact O-CB 3.39Å; M401-S403 VanDerWaalsContact C-N 3.31Å; M401-S403 PolarHBondContact O-N 3.48Å; S403-Y405 PolarHBondContact O-N 2.99Å; S403-N406 PolarHBondContact O-N 3.28Å; S403-Q777 PolarHBondContact O-NE2 3.11Å; S403-Q777 VanDerWaalsContact O-NE2 3.12Å
404L78.9Confident89.8Confident15 Ų1529 Ų298%0.07914%0.143CC..Hα-helixtrans-60.7-36.1174.3-76.2-179.7000112.5R400 M401 T402 N406 Q777 L793 I794R400-L404 PolarHBondContact O-N 3.23Å; R400-L404 VanDerWaalsContact O-N 3.15Å; M401-L404 VanDerWaalsContact O-CB 3.32Å; M401-L404 WeakPolarHBondContact O-CB 3.41Å; M401-L404 PolarHBondContact O-N 3.45Å; M401-L404 VanDerWaalsContact O-N 3.14Å; M401-L404 HydrophobicContact SD-CD1 3.85Å; T402-L404 VanDerWaalsContact C-N 3.31Å; T402-L404 PolarHBondContact O-N 2.91Å; L404-N406 VanDerWaalsContact C-N 3.31Å; L404-Q777 HydrophobicContact CD2-CB 3.81Å; L404-Q777 HydrophobicContact CD2-CG 3.68Å; L404-L793 HydrophobicContact CD1-CB 3.9Å; L404-L793 HydrophobicContact CD1-CD2 3.72Å; L404-L793 HydrophobicContact CD1-CG 3.98Å; L404-L793 HydrophobicContact CD2-CB 4.16Å; L404-L793 HydrophobicContact CD2-CD2 3.45Å; L404-L793 VanDerWaalsContact CD2-CD2 3.45Å; L404-L793 HydrophobicContact CD2-CG 4.34Å; L404-L793 HydrophobicContact CG-CD2 3.72Å; L404-I794 HydrophobicContact CD1-CG1 4.16Å
405Y86.9Confident89.9Confident47 Ų4731.9 Ų31.918%0.18416%0.162CC..THydrogen-bonded Turntrans-90.75.7-178.3-77.7-115.3000112.8M401 T402 S403 I407 F475 C479 K790 I794M401-Y405 VanDerWaalsContact O-CD2 3.31Å; M401-Y405 WeakPolarHBondContact O-CD2 3.28Å; M401-Y405 PolarHBondContact O-N 3Å; T402-Y405 CarbonylContact O-C 3.56Å; T402-Y405 WeakPolarHBondContact O-CA 3.49Å; T402-Y405 PolarHBondContact O-N 2.91Å; S403-Y405 PolarHBondContact O-N 2.99Å; Y405-I407 PolarHBondContact O-N 3.01Å; Y405-F475 HydrophobicContact CD1-CB 4.19Å; Y405-F475 AromaticContact CD1-CD2 3.65Å; Y405-F475 HydrophobicContact CD1-CD2 3.65Å; Y405-F475 HydrophobicContact CD1-CG 4.38Å; Y405-F475 AromaticContact CD2-CD2 3.58Å; Y405-F475 HydrophobicContact CD2-CD2 3.58Å; Y405-F475 AromaticContact CD2-CE2 3.69Å; Y405-F475 HydrophobicContact CD2-CE2 3.69Å; Y405-F475 AromaticContact CE1-CD2 3.92Å; Y405-F475 HydrophobicContact CE1-CD2 3.92Å; Y405-F475 AromaticContact CE2-CD2 3.92Å; Y405-F475 HydrophobicContact CE2-CD2 3.92Å; Y405-F475 HydrophobicContact CE2-CE2 4.07Å; Y405-F475 AromaticContact CG-CD2 3.45Å; Y405-F475 HydrophobicContact CG-CD2 3.45Å; Y405-F475 VanDerWaalsContact CG-CD2 3.45Å; Y405-F475 AromaticContact CG-CE2 3.97Å; Y405-F475 HydrophobicContact CG-CE2 3.97Å; Y405-F475 HydrophobicContact CG-CG 4.42Å; Y405-C479 VanDerWaalsContact CE2-SG 3.52Å; Y405-C479 PolarHBondContact OH-SG 3.42Å; Y405-K790 HydrophobicContact CE1-CD 4.08Å; Y405-K790 HydrophobicContact CE2-CD 3.86Å; Y405-K790 HydrophobicContact CE2-CG 4.43Å; Y405-K790 VanDerWaalsContact CZ-CE 3.48Å; Y405-K790 VanDerWaalsContact CZ-NZ 3.33Å; Y405-K790 PolarHBondContact OH-NZ 3.33Å; Y405-I794 HydrophobicContact CE2-CD1 4.01Å
406N89.3Confident90.1Very high60 Ų6031.8 Ų31.832%0.32116%0.162SC..THydrogen-bonded Turntrans55.135.6-174.7-15827.6000112.9G38 V39 T40 T402 S403 L404 H408G38-N406 PolarHBondContact O-ND2 2.87Å; V39-N406 WeakPolarHBondContact CA-ND2 3.49Å; V39-N406 VanDerWaalsContact CG2-ND2 3.29Å; V39-N406 WeakPolarHBondContact CG2-ND2 3.45Å; T40-N406 PolarHBondContact N-O 3.44Å; T402-N406 PolarHBondContact O-N 3.23Å; T402-N406 VanDerWaalsContact O-N 3.1Å; S403-N406 PolarHBondContact O-N 3.28Å; L404-N406 VanDerWaalsContact C-N 3.31Å; N406-H408 PolarHBondContact O-CD2 3.17Å; N406-H408 PolarHBondContact OD1-NE2 3.41Å
407I96.7Very high90.4Very high4 Ų433.9 Ų33.92%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-99.8122.1172.6-57.5174.3000106.8T40 L42 T402 Y405 V409 F472 F475T40-I407 HydrophobicContact CG2-CG1 4.38Å; T40-I407 HydrophobicContact CG2-CG2 4.16Å; T40-I407 CarbonylContact O-C 3.56Å; T40-I407 WeakPolarHBondContact O-CA 3.41Å; L42-I407 HydrophobicContact CD1-CG2 4.05Å; T402-I407 CarbonylContact C-O 3.47Å; T402-I407 VanDerWaalsContact C-O 3.31Å; T402-I407 WeakPolarHBondContact CB-O 3.17Å; T402-I407 HydrophobicContact CG2-CB 4.38Å; T402-I407 HydrophobicContact CG2-CG2 4.31Å; T402-I407 PolarHBondContact O-N 2.92Å; Y405-I407 PolarHBondContact O-N 3.01Å; I407-V409 HydrophobicContact CG2-CG1 3.83Å; I407-F472 HydrophobicContact CG2-CD2 4.26Å; I407-F475 HydrophobicContact CD1-CB 3.53Å; I407-F475 HydrophobicContact CD1-CD1 3.96Å; I407-F475 HydrophobicContact CD1-CD2 4.17Å; I407-F475 HydrophobicContact CD1-CG 3.61Å
408H97Very high90.8Very high79 Ų7932.8 Ų32.837%0.36617%0.174SC..EExtended strand (participates in β ladder)trans-102.3110.4-175.4-64.4-127.7000108.1V39 T40 Y41 L42 D43 N406V39-H408 WeakPolarHBondContact CG1-CD2 3.33Å; V39-H408 WeakPolarHBondContact CG1-NE2 3.33Å; T40-H408 PolarHBondContact O-N 3.21Å; Y41-H408 HydrophobicContact CD2-CB 3.79Å; Y41-H408 HydrophobicContact CE2-CB 4.37Å; L42-H408 CarbonylContact C-O 3.59Å; L42-H408 VanDerWaalsContact C-O 3.3Å; L42-H408 VanDerWaalsContact CA-O 3.28Å; L42-H408 WeakPolarHBondContact CA-O 3.48Å; L42-H408 WeakPolarHBondContact CB-O 3.25Å; L42-H408 PolarHBondContact N-O 3.2Å; D43-H408 PolarHBondContact N-O 2.91Å; N406-H408 PolarHBondContact O-CD2 3.17Å; N406-H408 PolarHBondContact OD1-NE2 3.41Å
409V96.8Very high91Very high14 Ų1432.9 Ų32.99%0.08518%0.176CC..  trans-122.6172.8179.7-53.70000109.6T402 I407 V456 V458T402-V409 HydrophobicContact CG2-CG1 4.02Å; T402-V409 HydrophobicContact CG2-CG2 4.05Å; I407-V409 HydrophobicContact CG2-CG1 3.83Å; V409-V456 HydrophobicContact CB-CG1 4.33Å; V409-V456 HydrophobicContact CG2-CG1 4.06Å; V409-V458 HydrophobicContact CB-CG1 4.34Å; V409-V458 HydrophobicContact CG1-CG1 3.73Å
410R95.7Very high91.3Very high117 Ų11730.1 Ų30.144%0.44216%0.161SC..EExtended strand (participates in β ladder)trans-111.5145.7171-160.870179.9-1601.5110.5D43 F414 R457D43-R410 WeakPolarHBondContact OD1-CB 3.47Å; D43-R410 WeakPolarHBondContact OD2-CD 3.27Å; D43-R410 IonicContact OD2-NH1 3.75Å; R410-F414 HydrophobicContact CB-CD1 4.01Å; R410-F414 HydrophobicContact CB-CE1 3.79Å; R410-F414 HydrophobicContact CG-CD1 3.52Å; R410-F414 HydrophobicContact CG-CE1 3.7Å; R410-F414 WeakPolarHBondContact O-CE1 3.34Å; R410-R457 HydrophobicContact CB-CB 4.5Å; R410-R457 PolarHBondContact N-O 2.86Å; R410-R457 VanDerWaalsContact N-O 3.07Å; R410-R457 PolarHBondContact O-N 2.93Å
411T94.5Very high91.9Very high28 Ų2830.2 Ų30.217%0.17216%0.163CC..EExtended strand (participates in β ladder)trans-127.1161172.161.40000112.8Y395 D399 S455 V456Y395-T411 HydrophobicContact CD2-CG2 4.23Å; D399-T411 HydrophobicContact CB-CG2 3.92Å; T411-S455 CarbonylContact C-O 3.53Å; T411-S455 WeakPolarHBondContact CA-O 3.37Å; T411-V456 HydrophobicContact CG2-CG1 4.47Å; T411-V456 HydrophobicContact CG2-CG2 4.11Å
412G92.5Very high92.3Very high1 Ų133.6 Ų33.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans105.8-149.2179.100000113.4F414 S455G412-F414 WeakPolarHBondContact O-CE2 3.19Å; G412-F414 WeakPolarHBondContact O-CZ 3.46Å; G412-S455 PolarHBondContact N-O 2.93Å; G412-S455 PolarHBondContact O-N 3.33Å
413C92.2Very high92.5Very high8 Ų835.7 Ų35.75%0.05420%0.201CC..  trans-98.26.3178-720000113.6C415 N416 C420 C441 T453C413-C415 PolarHBondContact O-N 2.62Å; C413-N416 CarbonylContact O-C 3.53Å; C413-N416 PolarHBondContact O-N 3.4Å; C413-C420 VanDerWaalsContact CA-SG 3.55Å; C413-C420 HydrophobicContact CB-CB 3.53Å; C413-C420 WeakPolarHBondContact CB-SG 3.39Å; C413-C420 WeakPolarHBondContact SG-CB 3.46Å; C413-C420 CovalentContact SG-SG 2.06Å; C413-C420 PolarHBondContact SG-SG 3.24Å; C413-C441 PolarHBondContact N-SG 2.89Å; C413-C441 VanDerWaalsContact N-SG 3.42Å; C413-T453 PolarHBondContact SG-O 3.02Å
414F94.2Very high92.9Very high12 Ų1233.7 Ų33.75%0.05319%0.186CC..THydrogen-bonded Turntrans53.131.5176.4-40.2-61.5000115N195 F196 N382 R410 G412 N416 S455 R457N195-F414 PolarHBondContact ND2-O 3.12Å; F196-F414 AromaticContact CD2-CD2 3.48Å; F196-F414 HydrophobicContact CD2-CD2 3.48Å; F196-F414 VanDerWaalsContact CD2-CD2 3.48Å; F196-F414 HydrophobicContact CD2-CE2 4.03Å; F196-F414 AromaticContact CE2-CD2 3.74Å; F196-F414 HydrophobicContact CE2-CD2 3.74Å; F196-F414 AromaticContact CE2-CE2 3.84Å; F196-F414 HydrophobicContact CE2-CE2 3.84Å; F196-F414 HydrophobicContact CG-CD2 4.24Å; N382-F414 VanDerWaalsContact ND2-CE2 3.27Å; N382-F414 WeakPolarHBondContact ND2-CE2 3.27Å; R410-F414 HydrophobicContact CB-CD1 4.01Å; R410-F414 HydrophobicContact CB-CE1 3.79Å; R410-F414 HydrophobicContact CG-CD1 3.52Å; R410-F414 HydrophobicContact CG-CE1 3.7Å; R410-F414 WeakPolarHBondContact O-CE1 3.34Å; G412-F414 WeakPolarHBondContact O-CE2 3.19Å; G412-F414 WeakPolarHBondContact O-CZ 3.46Å; F414-N416 PolarHBondContact O-N 3.3Å; F414-S455 WeakPolarHBondContact CE2-OG 3.37Å; F414-S455 WeakPolarHBondContact CZ-O 3.27Å; F414-R457 HydrophobicContact CD1-CB 4.11Å; F414-R457 HydrophobicContact CD2-CB 4.36Å; F414-R457 HydrophobicContact CE1-CB 3.49Å; F414-R457 VanDerWaalsContact CE1-CB 3.49Å; F414-R457 HydrophobicContact CE2-CB 3.81Å; F414-R457 HydrophobicContact CZ-CB 3.33Å
415C93.1Very high93.5Very high67 Ų6735.6 Ų35.645%0.45321%0.209SC..THydrogen-bonded Turntrans56.628.8-173-53.50000113.3H142 T143 C413H142-C415 CarbonylContact C-O 3.49Å; H142-C415 VanDerWaalsContact NE2-CB 3.25Å; H142-C415 WeakPolarHBondContact NE2-CB 3.46Å; T143-C415 WeakPolarHBondContact CB-O 3.22Å; T143-C415 PolarHBondContact N-O 3.38Å; T143-C415 WeakPolarHBondContact OG1-CA 3.49Å; T143-C415 PolarHBondContact OG1-O 3.44Å; C413-C415 PolarHBondContact O-N 2.62Å
416N95.1Very high93.6Very high0 Ų033.8 Ų33.80%020%0.203CC..  trans-132.975.8174.1-173.2-20.8000109.1D140 N195 F196 C413 F414 G418 A419 C420D140-N416 PolarHBondContact O-ND2 3.32Å; D140-N416 VanDerWaalsContact O-ND2 3.11Å; D140-N416 PolarHBondContact OD1-ND2 3.31Å; N195-N416 WeakPolarHBondContact OD1-CB 3.2Å; N195-N416 PolarHBondContact OD1-ND2 3.37Å; F196-N416 HydrophobicContact CB-CB 4.18Å; C413-N416 CarbonylContact O-C 3.53Å; C413-N416 PolarHBondContact O-N 3.4Å; F414-N416 PolarHBondContact O-N 3.3Å; N416-G418 VanDerWaalsContact C-N 3.31Å; N416-G418 PolarHBondContact O-N 3.26Å; N416-A419 HydrophobicContact CB-CB 4.5Å; N416-A419 WeakPolarHBondContact OD1-CB 3.32Å; N416-A419 PolarHBondContact OD1-N 3.34Å; N416-A419 VanDerWaalsContact OD1-N 3.1Å; N416-C420 WeakPolarHBondContact O-CB 3.45Å; N416-C420 PolarHBondContact O-N 3.13Å
417T91.7Very high93.6Very high52 Ų5233.9 Ų33.932%0.31921%0.208SC..Hα-helixtrans-66.3-34.1-172.7-350000112C420 Q421 M431T417-C420 WeakPolarHBondContact O-CB 3.4Å; T417-C420 PolarHBondContact O-N 3.41Å; T417-Q421 WeakPolarHBondContact O-CB 3.3Å; T417-Q421 VanDerWaalsContact O-CG 3.28Å; T417-Q421 WeakPolarHBondContact O-CG 3.39Å; T417-Q421 PolarHBondContact O-N 3.31Å; T417-M431 HydrophobicContact CG2-CE 3.39Å; T417-M431 HydrophobicContact CG2-SD 3.44Å; T417-M431 WeakPolarHBondContact CG2-SD 3.45Å
418G93.3Very high93.3Very high21 Ų2137.2 Ų37.222%0.21623%0.232CC..Hα-helixtrans-68.2-44.1-18000000112.6T139 N416 Q421 A422T139-G418 VanDerWaalsContact O-CA 3.27Å; T139-G418 WeakPolarHBondContact O-CA 3.18Å; N416-G418 VanDerWaalsContact C-N 3.31Å; N416-G418 PolarHBondContact O-N 3.26Å; G418-Q421 PolarHBondContact O-N 2.9Å; G418-A422 WeakPolarHBondContact O-CB 3.46Å; G418-A422 PolarHBondContact O-N 3.14Å
419A94.6Very high92.8Very high4 Ų439 Ų393%0.03324%0.24CC..Hα-helixtrans-63.8-42.717100000111.8D140 F196 N416 Q421 A422 F423D140-A419 HydrophobicContact CB-CB 4.47Å; D140-A419 VanDerWaalsContact OD1-CB 3.28Å; D140-A419 WeakPolarHBondContact OD1-CB 3.5Å; F196-A419 HydrophobicContact CB-CB 3.68Å; F196-A419 HydrophobicContact CD1-CB 3.94Å; F196-A419 HydrophobicContact CD2-CB 4.21Å; F196-A419 HydrophobicContact CG-CB 3.68Å; N416-A419 HydrophobicContact CB-CB 4.5Å; N416-A419 WeakPolarHBondContact OD1-CB 3.32Å; N416-A419 PolarHBondContact OD1-N 3.34Å; N416-A419 VanDerWaalsContact OD1-N 3.1Å; A419-Q421 VanDerWaalsContact C-N 3.33Å; A419-Q421 PolarHBondContact O-N 3.4Å; A419-A422 PolarHBondContact O-N 3.09Å; A419-F423 HydrophobicContact CB-CD2 4.31Å; A419-F423 HydrophobicContact CB-CE2 4.49Å; A419-F423 VanDerWaalsContact O-CD2 3.28Å; A419-F423 WeakPolarHBondContact O-CD2 3.28Å; A419-F423 PolarHBondContact O-N 3.12Å
420C93.9Very high92.3Very high0 Ų039.9 Ų39.90%024%0.244CC..Hα-helixtrans-55.5-47.8176.3-161.30000111.5F196 C413 N416 T417 L424F196-C420 HydrophobicContact CD2-CB 4.28Å; F196-C420 HydrophobicContact CE2-CB 3.72Å; F196-C420 HydrophobicContact CZ-CB 4.34Å; C413-C420 VanDerWaalsContact CA-SG 3.55Å; C413-C420 HydrophobicContact CB-CB 3.53Å; C413-C420 WeakPolarHBondContact CB-SG 3.39Å; C413-C420 WeakPolarHBondContact SG-CB 3.46Å; C413-C420 CovalentContact SG-SG 2.06Å; C413-C420 PolarHBondContact SG-SG 3.24Å; N416-C420 WeakPolarHBondContact O-CB 3.45Å; N416-C420 PolarHBondContact O-N 3.13Å; T417-C420 WeakPolarHBondContact O-CB 3.4Å; T417-C420 PolarHBondContact O-N 3.41Å; C420-L424 WeakPolarHBondContact O-CB 3.39Å; C420-L424 VanDerWaalsContact O-CG 3.25Å; C420-L424 WeakPolarHBondContact O-CG 3.4Å; C420-L424 PolarHBondContact O-N 3.3Å
421Q93.3Very high91.7Very high44 Ų4437.1 Ų37.121%0.20624%0.237CC..Hα-helixtrans-63.3-44.1177-73.7-174.9-94.100112.5T417 G418 A419 G425 I426 M431T417-Q421 WeakPolarHBondContact O-CB 3.3Å; T417-Q421 VanDerWaalsContact O-CG 3.28Å; T417-Q421 WeakPolarHBondContact O-CG 3.39Å; T417-Q421 PolarHBondContact O-N 3.31Å; G418-Q421 PolarHBondContact O-N 2.9Å; A419-Q421 VanDerWaalsContact C-N 3.33Å; A419-Q421 PolarHBondContact O-N 3.4Å; Q421-G425 WeakPolarHBondContact O-CA 3.4Å; Q421-G425 PolarHBondContact O-N 3.12Å; Q421-I426 WeakPolarHBondContact CB-O 3.39Å; Q421-I426 HydrophobicContact CG-CB 4.34Å; Q421-I426 WeakPolarHBondContact CG-O 3.4Å; Q421-I426 PolarHBondContact NE2-O 3.18Å; Q421-I426 PolarHBondContact O-N 2.64Å; Q421-M431 HydrophobicContact CG-CE 3.52Å; Q421-M431 HydrophobicContact CG-SD 4.36Å
422A93.8Very high91.3Very high78 Ų7841.9 Ų41.965%0.64526%0.255SS*.Hα-helixtrans-63.6-50-179.300000111.8G418 A419G418-A422 WeakPolarHBondContact O-CB 3.46Å; G418-A422 PolarHBondContact O-N 3.14Å; A419-A422 PolarHBondContact O-N 3.09Å
423F94.5Very high91Very high46 Ų4647.8 Ų47.820%0.20228%0.277CS..Hα-helixtrans-74.1-32.1-177.3-77.9-70000113.7F196 Y366 E368 A419F196-F423 AromaticContact CD1-CD2 3.62Å; F196-F423 HydrophobicContact CD1-CD2 3.62Å; F196-F423 HydrophobicContact CD1-CE2 4.08Å; F196-F423 HydrophobicContact CD1-CG 4.45Å; F196-F423 HydrophobicContact CE1-CB 3.86Å; F196-F423 AromaticContact CE1-CD2 3.51Å; F196-F423 HydrophobicContact CE1-CD2 3.51Å; F196-F423 HydrophobicContact CE1-CE2 4.37Å; F196-F423 AromaticContact CE1-CG 3.93Å; F196-F423 HydrophobicContact CE1-CG 3.93Å; F196-F423 HydrophobicContact CZ-CB 4.41Å; Y366-F423 HydrophobicContact CD1-CB 3.9Å; Y366-F423 HydrophobicContact CD1-CD1 4.28Å; Y366-F423 HydrophobicContact CD1-CG 4.46Å; Y366-F423 HydrophobicContact CG-CB 4.07Å; Y366-F423 HydrophobicContact CG-CD1 4.42Å; Y366-F423 HydrophobicContact CG-CG 4.43Å; E368-F423 HydrophobicContact CG-CE1 4.14Å; E368-F423 HydrophobicContact CG-CZ 4.14Å; A419-F423 HydrophobicContact CB-CD2 4.31Å; A419-F423 HydrophobicContact CB-CE2 4.49Å; A419-F423 VanDerWaalsContact O-CD2 3.28Å; A419-F423 WeakPolarHBondContact O-CD2 3.28Å; A419-F423 PolarHBondContact O-N 3.12Å
424L92.6Very high90.4Very high10 Ų1048 Ų485%0.05228%0.277CS..Hα-helixtrans-93.2-2.4-179.6-57.3-177.8000113.5Y366 C420 I426 Q451 P452Y366-L424 HydrophobicContact CD2-CD2 4.43Å; Y366-L424 HydrophobicContact CE1-CD2 3.83Å; Y366-L424 HydrophobicContact CE2-CD2 3.64Å; Y366-L424 VanDerWaalsContact OH-CD2 3.25Å; Y366-L424 WeakPolarHBondContact OH-CD2 3.44Å; C420-L424 WeakPolarHBondContact O-CB 3.39Å; C420-L424 VanDerWaalsContact O-CG 3.25Å; C420-L424 WeakPolarHBondContact O-CG 3.4Å; C420-L424 PolarHBondContact O-N 3.3Å; L424-I426 VanDerWaalsContact C-N 3.29Å; L424-I426 HydrophobicContact CB-CD1 3.68Å; L424-I426 HydrophobicContact CB-CG1 3.74Å; L424-I426 HydrophobicContact CD1-CD1 3.81Å; L424-I426 HydrophobicContact CG-CD1 4.39Å; L424-I426 PolarHBondContact O-N 3.13Å; L424-Q451 PolarHBondContact O-NE2 3.05Å; L424-P452 HydrophobicContact CD2-CG 4.08Å
425G91.8Very high89.8Confident55 Ų5552.7 Ų52.757%0.56730%0.302SS*.THydrogen-bonded Turntrans65.328.9-177.800000113.9Q421Q421-G425 WeakPolarHBondContact O-CA 3.4Å; Q421-G425 PolarHBondContact O-N 3.12Å
426I89.1Confident89Confident9 Ų957.1 Ų57.15%0.04632%0.317CS..  trans-89.2112.9-175.7-56.9168.1000110Q421 L424 Q430 M431 P452Q421-I426 WeakPolarHBondContact CB-O 3.39Å; Q421-I426 HydrophobicContact CG-CB 4.34Å; Q421-I426 WeakPolarHBondContact CG-O 3.4Å; Q421-I426 PolarHBondContact NE2-O 3.18Å; Q421-I426 PolarHBondContact O-N 2.64Å; L424-I426 VanDerWaalsContact C-N 3.29Å; L424-I426 HydrophobicContact CB-CD1 3.68Å; L424-I426 HydrophobicContact CB-CG1 3.74Å; L424-I426 HydrophobicContact CD1-CD1 3.81Å; L424-I426 HydrophobicContact CG-CD1 4.39Å; L424-I426 PolarHBondContact O-N 3.13Å; I426-Q430 HydrophobicContact CG2-CB 4.02Å; I426-Q430 HydrophobicContact CG2-CG 4.22Å; I426-M431 HydrophobicContact CG2-CB 4.38Å; I426-M431 HydrophobicContact CG2-CE 4.4Å; I426-P452 WeakPolarHBondContact CD1-O 3.29Å
427S89.9Confident87.9Confident62 Ų6261 Ų6143%0.43435%0.348SS..  trans-67.7153.2174.274.30000112.4Q429 Q430 M431S427-Q429 PolarHBondContact O-N 3.4Å; S427-Q430 WeakPolarHBondContact O-CB 3.31Å; S427-Q430 PolarHBondContact O-N 3.18Å; S427-Q430 PolarHBondContact OG-N 3.19Å; S427-Q430 VanDerWaalsContact OG-N 3.12Å; S427-M431 PolarHBondContact O-N 3.33Å
428S89.1Confident86.9Confident74 Ų7460.8 Ų60.852%0.51736%0.356SS..Hα-helixtrans-58.2-31.1175.3-55.20000112.8K432S428-K432 WeakPolarHBondContact O-CG 3.46Å; S428-K432 PolarHBondContact O-N 2.89Å
429Q87.6Confident85.9Confident116 Ų11660.7 Ų60.754%0.54235%0.351SS..Hα-helixtrans-71.6-39.6175.8-169.163.712.700111.6S427 K432 R433S427-Q429 PolarHBondContact O-N 3.4Å; Q429-K432 PolarHBondContact O-N 3.05Å; Q429-R433 WeakPolarHBondContact O-CG 3.2Å; Q429-R433 PolarHBondContact O-N 3.34Å
430Q85.4Confident84.7Confident34 Ų3464.9 Ų64.916%0.15938%0.375CS..Hα-helixtrans-61.2-45.6173.9-170.76537.800111I426 S427 K432 R433 N434I426-Q430 HydrophobicContact CG2-CB 4.02Å; I426-Q430 HydrophobicContact CG2-CG 4.22Å; S427-Q430 WeakPolarHBondContact O-CB 3.31Å; S427-Q430 PolarHBondContact O-N 3.18Å; S427-Q430 PolarHBondContact OG-N 3.19Å; S427-Q430 VanDerWaalsContact OG-N 3.12Å; Q430-K432 PolarHBondContact O-N 3.21Å; Q430-R433 PolarHBondContact O-N 3.08Å; Q430-N434 PolarHBondContact NE2-OD1 2.92Å; Q430-N434 VanDerWaalsContact O-CG 3.23Å; Q430-N434 PolarHBondContact O-N 2.67Å; Q430-N434 PolarHBondContact O-OD1 2.83Å
431M84.6Confident83.2Confident59 Ų5968.5 Ų68.529%0.29140%0.4SS..Hα-helixtrans-59.1-44.6179-173.6164-78.300112.6T417 Q421 I426 S427 N434 L435T417-M431 HydrophobicContact CG2-CE 3.39Å; T417-M431 HydrophobicContact CG2-SD 3.44Å; T417-M431 WeakPolarHBondContact CG2-SD 3.45Å; Q421-M431 HydrophobicContact CG-CE 3.52Å; Q421-M431 HydrophobicContact CG-SD 4.36Å; I426-M431 HydrophobicContact CG2-CB 4.38Å; I426-M431 HydrophobicContact CG2-CE 4.4Å; S427-M431 PolarHBondContact O-N 3.33Å; M431-N434 PolarHBondContact O-N 3.35Å; M431-L435 PolarHBondContact O-N 2.87Å; M431-L435 VanDerWaalsContact O-N 3.09Å
432K85.6Confident81.6Confident128 Ų12868.9 Ų68.956%0.55742%0.415SS*.Hα-helixtrans-62.9-42.2175.6-71.5175.8-178.4-178.40112.2S428 Q429 Q430 L435 Q436S428-K432 WeakPolarHBondContact O-CG 3.46Å; S428-K432 PolarHBondContact O-N 2.89Å; Q429-K432 PolarHBondContact O-N 3.05Å; Q430-K432 PolarHBondContact O-N 3.21Å; K432-L435 PolarHBondContact O-N 3.43Å; K432-Q436 WeakPolarHBondContact O-CG 3.17Å; K432-Q436 PolarHBondContact O-N 2.93Å
433R84.6Confident80.3Confident125 Ų12567 Ų6747%0.47240%0.395SS..Hα-helixtrans-63.8-44.5176.5-74.7-172.1-66.3174.5-2.9112Q429 Q430 L435 Q436 A437Q429-R433 WeakPolarHBondContact O-CG 3.2Å; Q429-R433 PolarHBondContact O-N 3.34Å; Q430-R433 PolarHBondContact O-N 3.08Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 2.64Å; R433-Q436 WeakPolarHBondContact O-CB 3.48Å; R433-Q436 PolarHBondContact O-N 3.2Å; R433-A437 PolarHBondContact O-N 3.4Å
434N81.4Confident79.1Confident11 Ų1169.1 Ų69.16%0.05941%0.408CS..Hα-helixtrans-58.3-45.6176.9-68.21.4000110.4Q430 M431 Q436 A437 G438 H439Q430-N434 PolarHBondContact NE2-OD1 2.92Å; Q430-N434 VanDerWaalsContact O-CG 3.23Å; Q430-N434 PolarHBondContact O-N 2.67Å; Q430-N434 PolarHBondContact O-OD1 2.83Å; M431-N434 PolarHBondContact O-N 3.35Å; N434-Q436 PolarHBondContact O-N 3.35Å; N434-A437 CarbonylContact O-C 3.5Å; N434-A437 WeakPolarHBondContact O-CA 3.46Å; N434-A437 WeakPolarHBondContact O-CB 3.47Å; N434-A437 PolarHBondContact O-N 3.14Å; N434-A437 VanDerWaalsContact O-N 3.14Å; N434-G438 PolarHBondContact O-N 2.99Å; N434-H439 HydrophobicContact CB-CB 3.98Å; N434-H439 WeakPolarHBondContact O-CB 3.4Å; N434-H439 PolarHBondContact O-N 3.09Å
435L79.9Confident78.2Confident111 Ų11172.1 Ų72.158%0.58142%0.422SS*.Hα-helixtrans-61.7-42.8176.1179.563.6000112.5M431 K432 R433 A437 G438 H439M431-L435 PolarHBondContact O-N 2.87Å; M431-L435 VanDerWaalsContact O-N 3.09Å; K432-L435 PolarHBondContact O-N 3.43Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 2.64Å; L435-A437 PolarHBondContact O-N 3.12Å; L435-G438 WeakPolarHBondContact O-CA 3.39Å; L435-G438 PolarHBondContact O-N 3.39Å; L435-H439 VanDerWaalsContact CD1-O 3.26Å; L435-H439 WeakPolarHBondContact CD1-O 3.22Å
436Q78.2Confident77.7Confident161 Ų16170.4 Ų70.475%0.75240%0.4SS*.Hα-helixtrans-62.1-30.5175.1-73.6172.2-21.300112.5K432 R433 N434 G438K432-Q436 WeakPolarHBondContact O-CG 3.17Å; K432-Q436 PolarHBondContact O-N 2.93Å; R433-Q436 WeakPolarHBondContact O-CB 3.48Å; R433-Q436 PolarHBondContact O-N 3.2Å; N434-Q436 PolarHBondContact O-N 3.35Å; Q436-G438 PolarHBondContact O-N 3.42Å
437A70.7Confident77.5Confident80 Ų8073 Ų7366%0.66141%0.414SS*.THydrogen-bonded Turntrans-78.35.9171.400000113.5R433 N434 L435R433-A437 PolarHBondContact O-N 3.4Å; N434-A437 CarbonylContact O-C 3.5Å; N434-A437 WeakPolarHBondContact O-CA 3.46Å; N434-A437 WeakPolarHBondContact O-CB 3.47Å; N434-A437 PolarHBondContact O-N 3.14Å; N434-A437 VanDerWaalsContact O-N 3.14Å; L435-A437 PolarHBondContact O-N 3.12Å
438G70.3Confident77.1Confident48 Ų4871.7 Ų71.750%0.49540%0.404SS..THydrogen-bonded Turntrans919177.300000115.1N434 L435 Q436N434-G438 PolarHBondContact O-N 2.99Å; L435-G438 WeakPolarHBondContact O-CA 3.39Å; L435-G438 PolarHBondContact O-N 3.39Å; Q436-G438 PolarHBondContact O-N 3.42Å
439H72.3Confident76.7Confident20 Ų2075.8 Ų75.89%0.09342%0.419CS..  trans-74130.9179.2-178.752.5000112.3N434 L435 D443 M445 T453N434-H439 HydrophobicContact CB-CB 3.98Å; N434-H439 WeakPolarHBondContact O-CB 3.4Å; N434-H439 PolarHBondContact O-N 3.09Å; L435-H439 VanDerWaalsContact CD1-O 3.26Å; L435-H439 WeakPolarHBondContact CD1-O 3.22Å; H439-D443 VanDerWaalsContact CA-OD2 3.27Å; H439-D443 WeakPolarHBondContact CA-OD2 3.38Å; H439-D443 IonicContact CE1-OD1 3.02Å; H439-D443 PolarHBondContact CE1-OD1 2.96Å; H439-D443 IonicContact CE1-OD2 2.71Å; H439-D443 IonicContact CG-OD2 3.22Å; H439-D443 IonicContact ND1-OD1 2.73Å; H439-D443 PolarHBondContact ND1-OD1 3.19Å; H439-D443 IonicContact ND1-OD2 3.6Å; H439-D443 PolarHBondContact ND1-OD2 2.79Å; H439-M445 HydrophobicContact CB-CE 3.72Å; H439-M445 PolarHBondContact CE1-O 3.29Å; H439-M445 VanDerWaalsContact N-CE 3.26Å; H439-M445 PolarHBondContact ND1-O 3.36Å; H439-M445 VanDerWaalsContact ND1-O 3.12Å; H439-T453 PolarHBondContact CE1-OG1 3.04Å; H439-T453 VanDerWaalsContact CE1-OG1 3.29Å; H439-T453 VanDerWaalsContact NE2-CB 3.29Å; H439-T453 WeakPolarHBondContact NE2-CB 3.33Å; H439-T453 PolarHBondContact NE2-OG1 3.15Å
440V70.3Confident76.4Confident91 Ų9172.3 Ų72.355%0.55242%0.415SS*.  trans-127142.9171.3-174.40000109.1G442 D443V440-G442 PolarHBondContact O-N 3.35Å; V440-D443 PolarHBondContact N-OD2 2.78Å; V440-D443 VanDerWaalsContact O-CB 3.25Å; V440-D443 WeakPolarHBondContact O-CB 3.04Å; V440-D443 PolarHBondContact O-N 3.44Å
441C63.1Low76.4Confident77 Ų7774.9 Ų74.952%0.5243%0.427SS..THydrogen-bonded Turntrans-55.7125.2-179.6-167.80000111.4C413C413-C441 PolarHBondContact N-SG 2.89Å; C413-C441 VanDerWaalsContact N-SG 3.42Å
442G58.5Low76.7Confident51 Ų5172.5 Ų72.553%0.52642%0.416SS..THydrogen-bonded Turntrans84.510.1-178.100000114.7V440V440-G442 PolarHBondContact O-N 3.35Å
443D66.7Low76.9Confident39 Ų3966.8 Ų66.821%0.20939%0.392CS..SBendtrans-75.3-170.9167.972.711.5000112.2H439 V440 M445H439-D443 VanDerWaalsContact CA-OD2 3.27Å; H439-D443 WeakPolarHBondContact CA-OD2 3.38Å; H439-D443 IonicContact CE1-OD1 3.02Å; H439-D443 PolarHBondContact CE1-OD1 2.96Å; H439-D443 IonicContact CE1-OD2 2.71Å; H439-D443 IonicContact CG-OD2 3.22Å; H439-D443 IonicContact ND1-OD1 2.73Å; H439-D443 PolarHBondContact ND1-OD1 3.19Å; H439-D443 IonicContact ND1-OD2 3.6Å; H439-D443 PolarHBondContact ND1-OD2 2.79Å; V440-D443 PolarHBondContact N-OD2 2.78Å; V440-D443 VanDerWaalsContact O-CB 3.25Å; V440-D443 WeakPolarHBondContact O-CB 3.04Å; V440-D443 PolarHBondContact O-N 3.44Å; D443-M445 VanDerWaalsContact C-N 3.34Å; D443-M445 WeakPolarHBondContact OD1-CA 3.14Å; D443-M445 WeakPolarHBondContact OD1-CB 3.45Å; D443-M445 PolarHBondContact OD1-N 3.24Å
444N69.7Low77.2Confident91 Ų9160.8 Ų60.849%0.48737%0.369SS..SBendtrans-91.69.8177.4-64.8-66000113.3
445M74.1Confident77.9Confident72 Ų7260.3 Ų60.336%0.35537%0.366SS..  trans-101.274.7175.4-63.6-160.3-61.900108.8H439 D443 T453H439-M445 HydrophobicContact CB-CE 3.72Å; H439-M445 PolarHBondContact CE1-O 3.29Å; H439-M445 VanDerWaalsContact N-CE 3.26Å; H439-M445 PolarHBondContact ND1-O 3.36Å; H439-M445 VanDerWaalsContact ND1-O 3.12Å; D443-M445 VanDerWaalsContact C-N 3.34Å; D443-M445 WeakPolarHBondContact OD1-CA 3.14Å; D443-M445 WeakPolarHBondContact OD1-CB 3.45Å; D443-M445 PolarHBondContact OD1-N 3.24Å; M445-T453 PolarHBondContact O-OG1 2.94Å
446D81.6Confident78.8Confident19 Ų1955 Ų5510%0.10234%0.339CS..  trans-87.4-17.8-175.1520.1000114G394 Y395 S396 P452 T453G394-D446 WeakPolarHBondContact CA-OD2 3.31Å; Y395-D446 HydrophobicContact CD1-CB 3.61Å; Y395-D446 HydrophobicContact CD2-CB 3.93Å; Y395-D446 HydrophobicContact CE1-CB 3.37Å; Y395-D446 HydrophobicContact CE2-CB 3.73Å; Y395-D446 HydrophobicContact CG-CB 3.87Å; Y395-D446 VanDerWaalsContact CZ-CB 3.45Å; Y395-D446 PolarHBondContact N-OD2 2.82Å; S396-D446 WeakPolarHBondContact CA-OD2 3.43Å; S396-D446 WeakPolarHBondContact CB-OD2 3.19Å; S396-D446 PolarHBondContact N-OD2 3.13Å; S396-D446 PolarHBondContact OG-OD2 2.89Å; D446-P452 WeakPolarHBondContact O-CA 3.43Å; D446-T453 WeakPolarHBondContact CA-OG1 3.41Å; D446-T453 PolarHBondContact O-N 2.93Å; D446-T453 PolarHBondContact O-OG1 2.95Å
447L83.6Confident79.7Confident63 Ų6347.6 Ų47.633%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-129.8130.5175.7-62.2175.3000110.7I392 Q451 P452I392-L447 HydrophobicContact CB-CD2 4.32Å; I392-L447 HydrophobicContact CG2-CD2 3.94Å; L447-Q451 WeakPolarHBondContact CA-O 3.46Å; L447-P452 HydrophobicContact CD2-CB 4.24Å
448V81.6Confident81Confident36 Ų3643.8 Ų43.822%0.21827%0.273CS..EExtended strand (participates in β ladder)trans-125.6118.9171.3179.70000107.8G450 Q451 T453V448-G450 PolarHBondContact O-N 3.09Å; V448-Q451 PolarHBondContact N-O 3.4Å; V448-Q451 WeakPolarHBondContact O-CB 3.22Å; V448-Q451 PolarHBondContact O-N 3.01Å; V448-T453 HydrophobicContact CB-CG2 4.47Å; V448-T453 HydrophobicContact CG2-CG2 3.76Å
449D80.2Confident82.4Confident159 Ų15941.6 Ų41.685%0.8525%0.249SC*.THydrogen-bonded Turntrans52.534.4-175.4-55.5-41.2000113.7Q451D449-Q451 VanDerWaalsContact C-N 3.25Å; D449-Q451 PolarHBondContact O-N 3.23Å
450G81.1Confident83.6Confident44 Ų4440.7 Ų40.745%0.45425%0.245SC..THydrogen-bonded Turntrans80.8-6.5-176.800000115V448V448-G450 PolarHBondContact O-N 3.09Å
451Q86.2Confident84.9Confident88 Ų8836.4 Ų36.441%0.41122%0.219SC..EExtended strand (participates in β ladder)trans-89.5130.7176.1-170.7119.830.500110.8L424 L447 V448 D449L424-Q451 PolarHBondContact O-NE2 3.05Å; L447-Q451 WeakPolarHBondContact CA-O 3.46Å; V448-Q451 PolarHBondContact N-O 3.4Å; V448-Q451 WeakPolarHBondContact O-CB 3.22Å; V448-Q451 PolarHBondContact O-N 3.01Å; D449-Q451 VanDerWaalsContact C-N 3.25Å; D449-Q451 PolarHBondContact O-N 3.23Å
452P90.7Very high86.5Confident8 Ų832.9 Ų32.95%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-67.5142.7175.630.2-40000112.3I392 L424 I426 D446 L447 G454I392-P452 HydrophobicContact CD1-CB 4.5Å; I392-P452 VanDerWaalsContact CD1-CD 3.49Å; I392-P452 HydrophobicContact CD1-CG 3.67Å; I392-P452 HydrophobicContact CG2-CB 4.29Å; L424-P452 HydrophobicContact CD2-CG 4.08Å; I426-P452 WeakPolarHBondContact CD1-O 3.29Å; D446-P452 WeakPolarHBondContact O-CA 3.43Å; L447-P452 HydrophobicContact CD2-CB 4.24Å; P452-G454 WeakPolarHBondContact CB-O 3.36Å
453T89.6Confident88.3Confident8 Ų830.8 Ų30.85%0.04917%0.172CC..SBendtrans-92.7-3.5173.562.30000113.3Y395 C413 H439 M445 D446 V448Y395-T453 PolarHBondContact OH-OG1 2.94Å; C413-T453 PolarHBondContact SG-O 3.02Å; H439-T453 PolarHBondContact CE1-OG1 3.04Å; H439-T453 VanDerWaalsContact CE1-OG1 3.29Å; H439-T453 VanDerWaalsContact NE2-CB 3.29Å; H439-T453 WeakPolarHBondContact NE2-CB 3.33Å; H439-T453 PolarHBondContact NE2-OG1 3.15Å; M445-T453 PolarHBondContact O-OG1 2.94Å; D446-T453 WeakPolarHBondContact CA-OG1 3.41Å; D446-T453 PolarHBondContact O-N 2.93Å; D446-T453 PolarHBondContact O-OG1 2.95Å; V448-T453 HydrophobicContact CB-CG2 4.47Å; V448-T453 HydrophobicContact CG2-CG2 3.76Å
454G92.5Very high89.7Confident0 Ų029 Ų290%016%0.162CC..SBendtrans-173.9-167.8-175.700000110.5N384 P452N384-G454 PolarHBondContact ND2-O 3.46Å; N384-G454 VanDerWaalsContact ND2-O 3.15Å; P452-G454 WeakPolarHBondContact CB-O 3.36Å
455S95.5Very high90.9Very high0 Ų025.4 Ų25.40%014%0.144CC..EExtended strand (participates in β ladder)trans-146.6-176.8-178.559.10000112N382 N384 T411 G412 F414N382-S455 VanDerWaalsContact OD1-CB 3.24Å; N382-S455 WeakPolarHBondContact OD1-CB 3.44Å; N382-S455 PolarHBondContact OD1-OG 2.98Å; N384-S455 WeakPolarHBondContact ND2-CB 3.24Å; T411-S455 CarbonylContact C-O 3.53Å; T411-S455 WeakPolarHBondContact CA-O 3.37Å; G412-S455 PolarHBondContact N-O 2.93Å; G412-S455 PolarHBondContact O-N 3.33Å; F414-S455 WeakPolarHBondContact CE2-OG 3.37Å; F414-S455 WeakPolarHBondContact CZ-O 3.27Å
456V97.4Very high92Very high0 Ų022.2 Ų22.20%013%0.128CC..EExtended strand (participates in β ladder)trans-104.5136.8173.6-174.60000108.9N382 F383 V398 V409 T411N382-V456 WeakPolarHBondContact CA-O 3.35Å; N382-V456 PolarHBondContact OD1-O 3Å; F383-V456 HydrophobicContact CE1-CB 4.36Å; F383-V456 HydrophobicContact CE1-CG1 4.17Å; F383-V456 HydrophobicContact CE2-CB 4.07Å; F383-V456 HydrophobicContact CE2-CG1 4.21Å; F383-V456 HydrophobicContact CZ-CB 3.92Å; F383-V456 HydrophobicContact CZ-CG1 3.65Å; F383-V456 PolarHBondContact N-O 3.31Å; F383-V456 PolarHBondContact O-N 2.64Å; V398-V456 HydrophobicContact CB-CG2 3.96Å; V398-V456 HydrophobicContact CG1-CG1 4.35Å; V398-V456 HydrophobicContact CG1-CG2 3.96Å; V398-V456 HydrophobicContact CG2-CG2 4.31Å; V409-V456 HydrophobicContact CB-CG1 4.33Å; V409-V456 HydrophobicContact CG2-CG1 4.06Å; T411-V456 HydrophobicContact CG2-CG1 4.47Å; T411-V456 HydrophobicContact CG2-CG2 4.11Å
457R98.1Very high92.6Very high6 Ų623.7 Ų23.72%0.02313%0.134CC..EExtended strand (participates in β ladder)trans-125.6128.8176.1-175.5-169.673.3174.12.7110.4D43 N195 I380 L381 R410 F414D43-R457 IonicContact OD1-CZ 3.24Å; D43-R457 IonicContact OD1-NH2 3.33Å; D43-R457 PolarHBondContact OD1-NH2 3.31Å; N195-R457 WeakPolarHBondContact O-CD 3.45Å; N195-R457 PolarHBondContact O-NH1 3.22Å; I380-R457 HydrophobicContact CG2-CG 3.6Å; L381-R457 WeakPolarHBondContact O-CA 3.26Å; R410-R457 HydrophobicContact CB-CB 4.5Å; R410-R457 PolarHBondContact N-O 2.86Å; R410-R457 VanDerWaalsContact N-O 3.07Å; R410-R457 PolarHBondContact O-N 2.93Å; F414-R457 HydrophobicContact CD1-CB 4.11Å; F414-R457 HydrophobicContact CD2-CB 4.36Å; F414-R457 HydrophobicContact CE1-CB 3.49Å; F414-R457 VanDerWaalsContact CE1-CB 3.49Å; F414-R457 HydrophobicContact CE2-CB 3.81Å; F414-R457 HydrophobicContact CZ-CB 3.33Å
458V98.5Very high93.2Very high0 Ų021.5 Ų21.50%012%0.123CC..EExtended strand (participates in β ladder)trans-111145.3165.3-60.10000109.2L42 L381 F383 V409 F460 F472L42-V458 HydrophobicContact CB-CB 4.03Å; L42-V458 HydrophobicContact CB-CG1 4.21Å; L42-V458 HydrophobicContact CD1-CB 4.25Å; L42-V458 HydrophobicContact CD1-CG1 4.06Å; L42-V458 CarbonylContact O-C 3.6Å; L42-V458 WeakPolarHBondContact O-CA 3.49Å; L381-V458 HydrophobicContact CB-CG2 3.74Å; L381-V458 HydrophobicContact CD2-CG2 4.08Å; L381-V458 HydrophobicContact CG-CG2 4.25Å; L381-V458 PolarHBondContact N-O 2.89Å; L381-V458 PolarHBondContact O-N 2.87Å; L381-V458 VanDerWaalsContact O-O 3.14Å; F383-V458 HydrophobicContact CE1-CG1 4.13Å; F383-V458 HydrophobicContact CE1-CG2 4.15Å; F383-V458 HydrophobicContact CZ-CG1 4.47Å; V409-V458 HydrophobicContact CB-CG1 4.34Å; V409-V458 HydrophobicContact CG1-CG1 3.73Å; V458-F460 HydrophobicContact CG2-CE2 4.46Å; V458-F472 HydrophobicContact CG1-CD2 4.25Å; V458-F472 HydrophobicContact CG1-CE1 4.45Å; V458-F472 HydrophobicContact CG1-CE2 3.82Å; V458-F472 HydrophobicContact CG1-CZ 3.95Å; V458-F472 HydrophobicContact CG2-CE1 4.49Å
459S98.6Very high94Very high1 Ų119.8 Ų19.81%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-148.7134.8-177.3500000110L42 D43 H44 A45 A379L42-S459 CarbonylContact C-O 3.47Å; L42-S459 VanDerWaalsContact CA-O 3.27Å; L42-S459 WeakPolarHBondContact CA-O 3.47Å; L42-S459 PolarHBondContact O-N 2.84Å; L42-S459 PolarHBondContact O-OG 2.85Å; L42-S459 VanDerWaalsContact O-OG 3.07Å; D43-S459 WeakPolarHBondContact CA-OG 3.31Å; H44-S459 PolarHBondContact CD2-O 3.48Å; H44-S459 VanDerWaalsContact CD2-O 3.28Å; H44-S459 PolarHBondContact N-OG 3.22Å; A45-S459 PolarHBondContact N-OG 2.91Å; A379-S459 CarbonylContact O-C 3.46Å; A379-S459 VanDerWaalsContact O-CA 3.22Å; A379-S459 WeakPolarHBondContact O-CA 3.5Å
460F98.4Very high94.7Very high1 Ų114.4 Ų14.40%0.0048%0.082CC..  trans-101146-175.7-59-89.6000110.6L42 C236 L343 A344 T347 A379 V458 C469L42-F460 HydrophobicContact CD2-CD1 3.67Å; L42-F460 HydrophobicContact CD2-CE1 3.42Å; L42-F460 VanDerWaalsContact CD2-CE1 3.42Å; L42-F460 HydrophobicContact CD2-CZ 4.08Å; C236-F460 PolarHBondContact SG-O 2.82Å; L343-F460 HydrophobicContact CB-CB 4.4Å; L343-F460 HydrophobicContact CB-CD1 3.91Å; L343-F460 HydrophobicContact CB-CD2 4.43Å; L343-F460 HydrophobicContact CB-CE1 4.3Å; L343-F460 HydrophobicContact CB-CG 3.98Å; L343-F460 HydrophobicContact CD1-CB 4.4Å; L343-F460 HydrophobicContact CD1-CD1 4.13Å; A344-F460 HydrophobicContact CB-CD2 3.8Å; A344-F460 HydrophobicContact CB-CE2 4.09Å; T347-F460 HydrophobicContact CG2-CZ 4.22Å; T347-F460 VanDerWaalsContact OG1-CZ 3.29Å; T347-F460 WeakPolarHBondContact OG1-CZ 3.47Å; A379-F460 HydrophobicContact CB-CB 4.27Å; A379-F460 PolarHBondContact O-N 3Å; V458-F460 HydrophobicContact CG2-CE2 4.46Å; F460-C469 WeakPolarHBondContact CE1-SG 3.39Å
461G97.1Very high95.5Very high1 Ų116.8 Ų16.81%0.018%0.08CC..  trans-118.4174.8177.300000111.2H44 T340 M463 S464H44-G461 PolarHBondContact CD2-N 2.62Å; H44-G461 VanDerWaalsContact CG-CA 3.48Å; H44-G461 VanDerWaalsContact CG-N 3.31Å; T340-G461 VanDerWaalsContact CG2-C 3.49Å; T340-G461 WeakPolarHBondContact CG2-O 3.29Å; G461-M463 PolarHBondContact O-N 3.07Å; G461-S464 PolarHBondContact N-OG 3.47Å; G461-S464 WeakPolarHBondContact O-CB 2.83Å; G461-S464 PolarHBondContact O-N 3.4Å; G461-S464 PolarHBondContact O-OG 2.94Å
462Y96.3Very high96Very high3 Ų312.6 Ų12.61%0.0126%0.06CC..THydrogen-bonded Turntrans-64-10.9-175.168.1-97.5000114.6Y21 F33 T48 L49 L326 T330Y21-Y462 WeakPolarHBondContact CE2-O 3.45Å; Y21-Y462 VanDerWaalsContact OH-CA 3.27Å; Y21-Y462 WeakPolarHBondContact OH-CA 3.16Å; Y21-Y462 VanDerWaalsContact OH-CB 3.27Å; Y21-Y462 WeakPolarHBondContact OH-CB 3.24Å; Y21-Y462 PolarHBondContact OH-O 3.41Å; F33-Y462 HydrophobicContact CE2-CE2 4.3Å; F33-Y462 AromaticContact CZ-CE2 3.62Å; F33-Y462 HydrophobicContact CZ-CE2 3.62Å; F33-Y462 AromaticContact CZ-CZ 3.97Å; T48-Y462 HydrophobicContact CG2-CE1 4.37Å; L49-Y462 PolarHBondContact O-OH 3.02Å; L326-Y462 HydrophobicContact CD1-CD1 3.94Å; L326-Y462 HydrophobicContact CD1-CD2 4.3Å; L326-Y462 HydrophobicContact CD1-CE1 3.82Å; L326-Y462 HydrophobicContact CD1-CE2 4.15Å; L326-Y462 HydrophobicContact CD1-CG 4.19Å; T330-Y462 HydrophobicContact CG2-CD2 3.85Å; T330-Y462 HydrophobicContact CG2-CG 4.25Å
463M96.3Very high96.4Very high8 Ų812.2 Ų12.24%0.0396%0.058CC..THydrogen-bonded Turntrans-108.5-1.517670.1-66.8-74.800113.4V29 F33 H44 L49 G461V29-M463 HydrophobicContact CG2-CB 4.33Å; F33-M463 HydrophobicContact CD1-CB 4.42Å; F33-M463 HydrophobicContact CD1-CE 4.29Å; F33-M463 HydrophobicContact CD1-CG 4.12Å; F33-M463 HydrophobicContact CD2-CB 3.7Å; F33-M463 HydrophobicContact CD2-CG 4.23Å; F33-M463 HydrophobicContact CE1-CB 4.2Å; F33-M463 HydrophobicContact CE1-CE 3.44Å; F33-M463 VanDerWaalsContact CE1-CE 3.44Å; F33-M463 HydrophobicContact CE1-CG 4.04Å; F33-M463 HydrophobicContact CE2-CB 3.45Å; F33-M463 VanDerWaalsContact CE2-CB 3.45Å; F33-M463 HydrophobicContact CE2-CG 4.17Å; F33-M463 HydrophobicContact CG-CB 4.19Å; F33-M463 HydrophobicContact CG-CG 4.21Å; F33-M463 HydrophobicContact CZ-CB 3.73Å; F33-M463 HydrophobicContact CZ-CE 3.59Å; F33-M463 HydrophobicContact CZ-CG 4.08Å; H44-M463 PolarHBondContact CE1-SD 3.43Å; L49-M463 HydrophobicContact CB-CE 3.81Å; L49-M463 HydrophobicContact CB-SD 4.35Å; L49-M463 WeakPolarHBondContact O-CE 3.32Å; G461-M463 PolarHBondContact O-N 3.07Å
464S96.9Very high96.6Very high1 Ų114.9 Ų14.91%0.0077%0.069CC..  trans-65.5148.2177.1-61.60000110.1H44 H339 L343 G461H44-S464 PolarHBondContact NE2-OG 2.97Å; H339-S464 PolarHBondContact CE1-O 3.16Å; H339-S464 VanDerWaalsContact CE1-O 3.24Å; H339-S464 PolarHBondContact NE2-O 3.23Å; L343-S464 WeakPolarHBondContact CD1-O 3.41Å; G461-S464 PolarHBondContact N-OG 3.47Å; G461-S464 WeakPolarHBondContact O-CB 2.83Å; G461-S464 PolarHBondContact O-N 3.4Å; G461-S464 PolarHBondContact O-OG 2.94Å
465T95.5Very high96.8Very high15 Ų1515 Ų159%0.0927%0.069CC..  trans-119.5169.1-178.477.90000112.3Y19 F25 V29 E467 D468 C469Y19-T465 WeakPolarHBondContact OH-CB 3.46Å; F25-T465 HydrophobicContact CE1-CG2 4.19Å; V29-T465 HydrophobicContact CG1-CG2 4.22Å; V29-T465 HydrophobicContact CG2-CG2 4.47Å; T465-E467 WeakPolarHBondContact CB-OE2 3.29Å; T465-E467 PolarHBondContact O-N 3.14Å; T465-E467 PolarHBondContact OG1-N 2.85Å; T465-E467 PolarHBondContact OG1-OE2 2.9Å; T465-D468 PolarHBondContact N-OD2 3.13Å; T465-D468 WeakPolarHBondContact O-CB 3.5Å; T465-D468 PolarHBondContact O-N 2.91Å; T465-D468 VanDerWaalsContact O-N 3.08Å; T465-C469 PolarHBondContact O-N 3.08Å
466F95.3Very high96.9Very high6 Ų615 Ų153%0.0267%0.069CC..Hα-helixtrans-55.4-37.9169.9164-103.5000111.6C7 S8 F9 F12 Y19 Y346 D468 C469 Q470C7-F466 WeakPolarHBondContact O-CZ 3.07Å; S8-F466 WeakPolarHBondContact O-CZ 3.3Å; F9-F466 HydrophobicContact CB-CD1 4.11Å; F9-F466 HydrophobicContact CB-CE1 3.84Å; F9-F466 HydrophobicContact CB-CZ 4.28Å; F9-F466 HydrophobicContact CD2-CB 3.96Å; F9-F466 AromaticContact CD2-CD1 3.62Å; F9-F466 HydrophobicContact CD2-CD1 3.62Å; F9-F466 HydrophobicContact CD2-CD2 4.25Å; F9-F466 HydrophobicContact CD2-CE1 4.18Å; F9-F466 AromaticContact CD2-CG 3.65Å; F9-F466 HydrophobicContact CD2-CG 3.65Å; F9-F466 HydrophobicContact CE2-CB 4.14Å; F9-F466 HydrophobicContact CE2-CG 4.31Å; F9-F466 HydrophobicContact CG-CD1 4.33Å; F12-F466 HydrophobicContact CB-CD2 3.55Å; F12-F466 HydrophobicContact CB-CE2 3.48Å; F12-F466 VanDerWaalsContact CB-CE2 3.48Å; F12-F466 HydrophobicContact CB-CZ 4.44Å; F12-F466 HydrophobicContact CD1-CB 4.41Å; F12-F466 AromaticContact CD1-CD2 3.93Å; F12-F466 HydrophobicContact CD1-CD2 3.93Å; F12-F466 HydrophobicContact CD1-CG 4.37Å; F12-F466 AromaticContact CD2-CD2 3.82Å; F12-F466 HydrophobicContact CD2-CD2 3.82Å; F12-F466 HydrophobicContact CD2-CE2 4.4Å; F12-F466 HydrophobicContact CE1-CB 4.47Å; F12-F466 AromaticContact CG-CD2 3.48Å; F12-F466 HydrophobicContact CG-CD2 3.48Å; F12-F466 VanDerWaalsContact CG-CD2 3.48Å; F12-F466 AromaticContact CG-CE2 3.97Å; F12-F466 HydrophobicContact CG-CE2 3.97Å; F12-F466 HydrophobicContact CG-CG 4.35Å; Y19-F466 HydrophobicContact CE2-CB 4.2Å; Y19-F466 PolarHBondContact OH-N 2.54Å; Y346-F466 HydrophobicContact CE1-CD2 4.27Å; Y346-F466 AromaticContact CE1-CE2 3.8Å; Y346-F466 HydrophobicContact CE1-CE2 3.8Å; Y346-F466 AromaticContact CZ-CE2 3.86Å; F466-D468 PolarHBondContact O-N 2.85Å; F466-C469 WeakPolarHBondContact O-CB 3.43Å; F466-C469 PolarHBondContact O-N 3.41Å; F466-C469 VanDerWaalsContact O-N 3.11Å; F466-Q470 HydrophobicContact CE1-CB 4.26Å; F466-Q470 HydrophobicContact CE1-CG 4.49Å; F466-Q470 HydrophobicContact CZ-CB 4.16Å; F466-Q470 HydrophobicContact CZ-CG 4.3Å; F466-Q470 PolarHBondContact O-N 2.85Å
467E95.3Very high96.7Very high50 Ų5015.2 Ų15.223%0.2347%0.071CC..Hα-helixtrans-61.5-29.8178-64.275.7-169.300112.1R26 T465 Q470 K471R26-E467 IonicContact NH1-OE1 3.48Å; T465-E467 WeakPolarHBondContact CB-OE2 3.29Å; T465-E467 PolarHBondContact O-N 3.14Å; T465-E467 PolarHBondContact OG1-N 2.85Å; T465-E467 PolarHBondContact OG1-OE2 2.9Å; E467-Q470 PolarHBondContact O-N 3.49Å; E467-K471 VanDerWaalsContact O-CB 3.3Å; E467-K471 WeakPolarHBondContact O-CB 3.47Å; E467-K471 WeakPolarHBondContact O-CD 3.41Å; E467-K471 WeakPolarHBondContact O-CG 3.43Å; E467-K471 PolarHBondContact O-N 2.89Å
468D97.1Very high96.3Very high17 Ų1719.6 Ų19.69%0.0919%0.092CC..Hα-helixtrans-67.9-44.2173.6-69-40.5000111.7T40 L42 T465 F466 Q470 F472T40-D468 WeakPolarHBondContact CA-OD1 3.47Å; T40-D468 WeakPolarHBondContact CB-OD1 3.3Å; T40-D468 HydrophobicContact CG2-CB 3.86Å; T40-D468 WeakPolarHBondContact CG2-OD1 3.31Å; T40-D468 PolarHBondContact OG1-OD1 3.35Å; L42-D468 HydrophobicContact CD2-CB 4.3Å; T465-D468 PolarHBondContact N-OD2 3.13Å; T465-D468 WeakPolarHBondContact O-CB 3.5Å; T465-D468 PolarHBondContact O-N 2.91Å; T465-D468 VanDerWaalsContact O-N 3.08Å; F466-D468 PolarHBondContact O-N 2.85Å; D468-Q470 VanDerWaalsContact C-N 3.34Å; D468-Q470 PolarHBondContact O-N 3.11Å; D468-F472 WeakPolarHBondContact O-CB 3.36Å; D468-F472 PolarHBondContact O-N 3.19Å
469C97Very high95.8Very high0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-58.2-48.3171.4-63.30000110.9Y346 T347 F460 T465 F466 F472 L473Y346-C469 HydrophobicContact CD1-CB 4.06Å; Y346-C469 HydrophobicContact CE1-CB 4.23Å; T347-C469 PolarHBondContact OG1-SG 3.45Å; F460-C469 WeakPolarHBondContact CE1-SG 3.39Å; T465-C469 PolarHBondContact O-N 3.08Å; F466-C469 WeakPolarHBondContact O-CB 3.43Å; F466-C469 PolarHBondContact O-N 3.41Å; F466-C469 VanDerWaalsContact O-N 3.11Å; C469-F472 PolarHBondContact O-N 3.3Å; C469-L473 WeakPolarHBondContact O-CB 3.42Å; C469-L473 WeakPolarHBondContact O-CG 3.5Å; C469-L473 PolarHBondContact O-N 2.79Å
470Q96.2Very high95.5Very high45 Ų4522 Ų2221%0.2111%0.106CC..Hα-helixtrans-62.4-47.1-177.1-166.2-164.352.500111.6C7 F466 E467 D468 F472 L473 K474C7-Q470 HydrophobicContact CB-CG 4.28Å; C7-Q470 PolarHBondContact O-NE2 3.41Å; F466-Q470 HydrophobicContact CE1-CB 4.26Å; F466-Q470 HydrophobicContact CE1-CG 4.49Å; F466-Q470 HydrophobicContact CZ-CB 4.16Å; F466-Q470 HydrophobicContact CZ-CG 4.3Å; F466-Q470 PolarHBondContact O-N 2.85Å; E467-Q470 PolarHBondContact O-N 3.49Å; D468-Q470 VanDerWaalsContact C-N 3.34Å; D468-Q470 PolarHBondContact O-N 3.11Å; Q470-F472 VanDerWaalsContact C-N 3.33Å; Q470-F472 PolarHBondContact O-N 2.97Å; Q470-L473 PolarHBondContact O-N 2.76Å; Q470-K474 VanDerWaalsContact CD-NZ 3.33Å; Q470-K474 HydrophobicContact CG-CD 4.11Å; Q470-K474 WeakPolarHBondContact O-CB 3.49Å; Q470-K474 WeakPolarHBondContact O-CG 3.32Å; Q470-K474 PolarHBondContact O-N 3.44Å
471K96.4Very high95.2Very high94 Ų9422.4 Ų22.441%0.40911%0.109SC..Hα-helixtrans-61.2-42.8177.8-76.7167.6-175.2168.30111.4T40 E467 F475T40-K471 WeakPolarHBondContact OG1-CD 3.09Å; E467-K471 VanDerWaalsContact O-CB 3.3Å; E467-K471 WeakPolarHBondContact O-CB 3.47Å; E467-K471 WeakPolarHBondContact O-CD 3.41Å; E467-K471 WeakPolarHBondContact O-CG 3.43Å; E467-K471 PolarHBondContact O-N 2.89Å; K471-F475 WeakPolarHBondContact O-CB 3.46Å; K471-F475 PolarHBondContact O-N 3.5Å
472F98.1Very high94.9Very high1 Ų127.3 Ų27.30%0.00413%0.132CC..Hα-helixtrans-64.8-47.1177.7172.7-104.9000112.5L42 T347 L351 F383 I407 V458 D468 C469 Q470 F475 V476L42-F472 HydrophobicContact CD1-CB 3.81Å; L42-F472 HydrophobicContact CD1-CD2 4.06Å; L42-F472 HydrophobicContact CD1-CG 3.92Å; T347-F472 HydrophobicContact CG2-CD1 3.77Å; T347-F472 HydrophobicContact CG2-CE1 3.89Å; L351-F472 HydrophobicContact CD2-CE1 4.4Å; F383-F472 AromaticContact CE1-CZ 3.91Å; F383-F472 HydrophobicContact CE1-CZ 3.91Å; F383-F472 HydrophobicContact CE2-CZ 4.29Å; F383-F472 HydrophobicContact CZ-CE1 4.48Å; F383-F472 HydrophobicContact CZ-CE2 4.09Å; F383-F472 AromaticContact CZ-CZ 3.45Å; F383-F472 HydrophobicContact CZ-CZ 3.45Å; F383-F472 VanDerWaalsContact CZ-CZ 3.45Å; I407-F472 HydrophobicContact CG2-CD2 4.26Å; V458-F472 HydrophobicContact CG1-CD2 4.25Å; V458-F472 HydrophobicContact CG1-CE1 4.45Å; V458-F472 HydrophobicContact CG1-CE2 3.82Å; V458-F472 HydrophobicContact CG1-CZ 3.95Å; V458-F472 HydrophobicContact CG2-CE1 4.49Å; D468-F472 WeakPolarHBondContact O-CB 3.36Å; D468-F472 PolarHBondContact O-N 3.19Å; C469-F472 PolarHBondContact O-N 3.3Å; Q470-F472 VanDerWaalsContact C-N 3.33Å; Q470-F472 PolarHBondContact O-N 2.97Å; F472-F475 HydrophobicContact CD2-CD1 4.4Å; F472-F475 WeakPolarHBondContact O-CB 3.21Å; F472-F475 PolarHBondContact O-N 3.46Å; F472-V476 HydrophobicContact CE1-CG2 4.31Å; F472-V476 HydrophobicContact CE2-CG2 4.03Å; F472-V476 HydrophobicContact CZ-CG2 3.86Å; F472-V476 WeakPolarHBondContact O-CG2 3.47Å; F472-V476 PolarHBondContact O-N 3.48Å
473L97.6Very high94.4Very high0 Ų032.7 Ų32.70%016%0.155CC..Hα-helixtrans-65-43.3178.9-73167.9000112.3F3 Y346 T347 L350 L351 C469 Q470 F475 V476 A477F3-L473 HydrophobicContact CZ-CB 4.15Å; Y346-L473 HydrophobicContact CD1-CD1 4.38Å; Y346-L473 HydrophobicContact CE1-CD1 3.89Å; T347-L473 HydrophobicContact CG2-CD2 4.29Å; T347-L473 HydrophobicContact CG2-CG 4.43Å; L350-L473 HydrophobicContact CB-CD1 3.93Å; L350-L473 HydrophobicContact CB-CD2 3.98Å; L350-L473 HydrophobicContact CD1-CD1 3.63Å; L350-L473 HydrophobicContact CG-CD1 4.34Å; L351-L473 HydrophobicContact CB-CD2 4.16Å; C469-L473 WeakPolarHBondContact O-CB 3.42Å; C469-L473 WeakPolarHBondContact O-CG 3.5Å; C469-L473 PolarHBondContact O-N 2.79Å; Q470-L473 PolarHBondContact O-N 2.76Å; L473-F475 VanDerWaalsContact C-N 3.34Å; L473-F475 PolarHBondContact O-N 2.78Å; L473-V476 PolarHBondContact O-N 3.25Å; L473-A477 WeakPolarHBondContact O-CB 3.2Å; L473-A477 PolarHBondContact O-N 3.48Å
474K95.3Very high94.2Very high64 Ų6436.6 Ų36.628%0.27818%0.181SC..Hα-helixtrans-61.2-43173.7-75.3178.3177.5173.80111.4Q470 V476 A477 E478Q470-K474 VanDerWaalsContact CD-NZ 3.33Å; Q470-K474 HydrophobicContact CG-CD 4.11Å; Q470-K474 WeakPolarHBondContact O-CB 3.49Å; Q470-K474 WeakPolarHBondContact O-CG 3.32Å; Q470-K474 PolarHBondContact O-N 3.44Å; K474-V476 VanDerWaalsContact C-N 3.34Å; K474-V476 PolarHBondContact O-N 2.91Å; K474-A477 PolarHBondContact O-N 3.33Å; K474-E478 VanDerWaalsContact O-CB 3.32Å; K474-E478 WeakPolarHBondContact O-CB 3.44Å; K474-E478 VanDerWaalsContact O-CG 3.27Å; K474-E478 WeakPolarHBondContact O-CG 3.08Å; K474-E478 PolarHBondContact O-N 2.94Å
475F95.7Very high93.9Very high1 Ų137.8 Ų37.80%0.00419%0.188CC..Hα-helixtrans-55.6-47.6174.1158.3-99.6000111.9M401 T402 Y405 I407 K471 F472 L473 E478 C479 F480M401-F475 VanDerWaalsContact C-CE2 3.48Å; M401-F475 HydrophobicContact CB-CE2 3.79Å; M401-F475 HydrophobicContact CB-CZ 3.69Å; M401-F475 WeakPolarHBondContact O-CE2 3.42Å; T402-F475 HydrophobicContact CG2-CD1 4.17Å; T402-F475 HydrophobicContact CG2-CE1 3.29Å; T402-F475 HydrophobicContact CG2-CE2 4.44Å; T402-F475 HydrophobicContact CG2-CZ 3.44Å; T402-F475 VanDerWaalsContact CG2-CZ 3.44Å; Y405-F475 HydrophobicContact CD1-CB 4.19Å; Y405-F475 AromaticContact CD1-CD2 3.65Å; Y405-F475 HydrophobicContact CD1-CD2 3.65Å; Y405-F475 HydrophobicContact CD1-CG 4.38Å; Y405-F475 AromaticContact CD2-CD2 3.58Å; Y405-F475 HydrophobicContact CD2-CD2 3.58Å; Y405-F475 AromaticContact CD2-CE2 3.69Å; Y405-F475 HydrophobicContact CD2-CE2 3.69Å; Y405-F475 AromaticContact CE1-CD2 3.92Å; Y405-F475 HydrophobicContact CE1-CD2 3.92Å; Y405-F475 AromaticContact CE2-CD2 3.92Å; Y405-F475 HydrophobicContact CE2-CD2 3.92Å; Y405-F475 HydrophobicContact CE2-CE2 4.07Å; Y405-F475 AromaticContact CG-CD2 3.45Å; Y405-F475 HydrophobicContact CG-CD2 3.45Å; Y405-F475 VanDerWaalsContact CG-CD2 3.45Å; Y405-F475 AromaticContact CG-CE2 3.97Å; Y405-F475 HydrophobicContact CG-CE2 3.97Å; Y405-F475 HydrophobicContact CG-CG 4.42Å; I407-F475 HydrophobicContact CD1-CB 3.53Å; I407-F475 HydrophobicContact CD1-CD1 3.96Å; I407-F475 HydrophobicContact CD1-CD2 4.17Å; I407-F475 HydrophobicContact CD1-CG 3.61Å; K471-F475 WeakPolarHBondContact O-CB 3.46Å; K471-F475 PolarHBondContact O-N 3.5Å; F472-F475 HydrophobicContact CD2-CD1 4.4Å; F472-F475 WeakPolarHBondContact O-CB 3.21Å; F472-F475 PolarHBondContact O-N 3.46Å; L473-F475 VanDerWaalsContact C-N 3.34Å; L473-F475 PolarHBondContact O-N 2.78Å; F475-E478 PolarHBondContact O-N 3.39Å; F475-C479 HydrophobicContact CD2-CB 4.42Å; F475-C479 VanDerWaalsContact CD2-SG 3.55Å; F475-C479 HydrophobicContact CE2-CB 4.23Å; F475-C479 VanDerWaalsContact O-CB 3.24Å; F475-C479 WeakPolarHBondContact O-CB 3.1Å; F475-C479 PolarHBondContact O-N 3.09Å; F475-C479 PolarHBondContact O-SG 2.96Å; F475-F480 HydrophobicContact CE1-CD2 4.45Å; F475-F480 AromaticContact CE1-CE2 3.79Å; F475-F480 HydrophobicContact CE1-CE2 3.79Å; F475-F480 HydrophobicContact CE2-CE2 4.22Å; F475-F480 HydrophobicContact CZ-CD2 4.47Å; F475-F480 AromaticContact CZ-CE2 3.52Å; F475-F480 HydrophobicContact CZ-CE2 3.52Å; F475-F480 HydrophobicContact CZ-CZ 4.29Å
476V96.9Very high93.8Very high1 Ų139.3 Ų39.31%0.00620%0.197CC..Hα-helixtrans-60.5-49.5176.9174.60000110.5L351 L354 V362 L385 F472 L473 K474 E478 C479 F480L351-V476 HydrophobicContact CD1-CG1 3.99Å; L354-V476 HydrophobicContact CD2-CG1 4.07Å; V362-V476 HydrophobicContact CG1-CG1 3.77Å; L385-V476 HydrophobicContact CD1-CG1 4.49Å; L385-V476 HydrophobicContact CD2-CG1 3.97Å; F472-V476 HydrophobicContact CE1-CG2 4.31Å; F472-V476 HydrophobicContact CE2-CG2 4.03Å; F472-V476 HydrophobicContact CZ-CG2 3.86Å; F472-V476 WeakPolarHBondContact O-CG2 3.47Å; F472-V476 PolarHBondContact O-N 3.48Å; L473-V476 PolarHBondContact O-N 3.25Å; K474-V476 VanDerWaalsContact C-N 3.34Å; K474-V476 PolarHBondContact O-N 2.91Å; V476-E478 VanDerWaalsContact C-N 3.34Å; V476-E478 PolarHBondContact O-N 2.86Å; V476-C479 PolarHBondContact O-N 3.04Å; V476-F480 PolarHBondContact O-N 3.46Å
477A94Very high93.7Very high5 Ų540.1 Ų40.14%0.04120%0.203CC..Hα-helixtrans-62-36-179.500000113.9F3 L354 L473 K474 V481 K483F3-A477 HydrophobicContact CD1-CB 4Å; F3-A477 HydrophobicContact CE1-CB 3.31Å; F3-A477 HydrophobicContact CZ-CB 3.79Å; L354-A477 HydrophobicContact CD2-CB 4.47Å; L473-A477 WeakPolarHBondContact O-CB 3.2Å; L473-A477 PolarHBondContact O-N 3.48Å; K474-A477 PolarHBondContact O-N 3.33Å; A477-V481 WeakPolarHBondContact O-CB 3.33Å; A477-K483 PolarHBondContact O-NZ 3.43Å
478E89.4Confident93.7Very high98 Ų9840.9 Ų40.946%0.45821%0.208SC..Hα-helixtrans-76-42.4178.1-75.1172.5-162.100112.3K474 F475 V476 K790K474-E478 VanDerWaalsContact O-CB 3.32Å; K474-E478 WeakPolarHBondContact O-CB 3.44Å; K474-E478 VanDerWaalsContact O-CG 3.27Å; K474-E478 WeakPolarHBondContact O-CG 3.08Å; K474-E478 PolarHBondContact O-N 2.94Å; F475-E478 PolarHBondContact O-N 3.39Å; V476-E478 VanDerWaalsContact C-N 3.34Å; V476-E478 PolarHBondContact O-N 2.86Å; E478-K790 IonicContact OE2-NZ 3.97Å
479C88.1Confident93.5Very high34 Ų3443.2 Ų43.223%0.2322%0.219CC..Hα-helixtrans-93.9-29.8-167.4-620000114.2M401 Y405 F475 V476M401-C479 HydrophobicContact CE-CB 3.81Å; Y405-C479 VanDerWaalsContact CE2-SG 3.52Å; Y405-C479 PolarHBondContact OH-SG 3.42Å; F475-C479 HydrophobicContact CD2-CB 4.42Å; F475-C479 VanDerWaalsContact CD2-SG 3.55Å; F475-C479 HydrophobicContact CE2-CB 4.23Å; F475-C479 VanDerWaalsContact O-CB 3.24Å; F475-C479 WeakPolarHBondContact O-CB 3.1Å; F475-C479 PolarHBondContact O-N 3.09Å; F475-C479 PolarHBondContact O-SG 2.96Å; V476-C479 PolarHBondContact O-N 3.04Å
480F92.6Very high93.4Very high18 Ų1849 Ų498%0.07925%0.253CS..THydrogen-bonded Turntrans-124.7-8.2-167.3-61.8-76.5000114.1H356 L385 I393 Q397 V398 M401 F475 V476H356-F480 PolarHBondContact CE1-O 2.73Å; L385-F480 HydrophobicContact CD1-CB 4.07Å; L385-F480 HydrophobicContact CD1-CD1 4.08Å; L385-F480 HydrophobicContact CD1-CD2 3.46Å; L385-F480 VanDerWaalsContact CD1-CD2 3.46Å; L385-F480 HydrophobicContact CD1-CE1 4.4Å; L385-F480 HydrophobicContact CD1-CE2 3.83Å; L385-F480 HydrophobicContact CD1-CG 3.59Å; L385-F480 HydrophobicContact CD1-CZ 4.29Å; I393-F480 HydrophobicContact CD1-CB 4.45Å; I393-F480 HydrophobicContact CD1-CD1 3.7Å; I393-F480 HydrophobicContact CD1-CE1 4.48Å; I393-F480 HydrophobicContact CD1-CG 4.49Å; I393-F480 HydrophobicContact CG2-CD1 4.31Å; I393-F480 HydrophobicContact CG2-CE1 4.08Å; Q397-F480 HydrophobicContact CG-CE1 4.46Å; V398-F480 HydrophobicContact CB-CZ 4.43Å; V398-F480 HydrophobicContact CG1-CZ 4.46Å; V398-F480 HydrophobicContact CG2-CE1 4.29Å; V398-F480 HydrophobicContact CG2-CZ 4.12Å; M401-F480 HydrophobicContact CB-CE2 4.24Å; M401-F480 HydrophobicContact CB-CZ 3.8Å; M401-F480 HydrophobicContact CG-CZ 3.87Å; F475-F480 HydrophobicContact CE1-CD2 4.45Å; F475-F480 AromaticContact CE1-CE2 3.79Å; F475-F480 HydrophobicContact CE1-CE2 3.79Å; F475-F480 HydrophobicContact CE2-CE2 4.22Å; F475-F480 HydrophobicContact CZ-CD2 4.47Å; F475-F480 AromaticContact CZ-CE2 3.52Å; F475-F480 HydrophobicContact CZ-CE2 3.52Å; F475-F480 HydrophobicContact CZ-CZ 4.29Å; V476-F480 PolarHBondContact O-N 3.46Å
481V91.4Very high93.2Very high9 Ų951.7 Ų51.76%0.05526%0.262CS..PPolyproline II helixtrans-98.7121.6-179.4-172.20000110.8L354 C355 V362 A477 K483 V485L354-V481 HydrophobicContact CD2-CG2 3.88Å; L354-V481 HydrophobicContact CG-CG2 4.23Å; C355-V481 WeakPolarHBondContact O-CG1 3.25Å; V362-V481 HydrophobicContact CB-CG2 4.28Å; V362-V481 HydrophobicContact CG1-CG2 3.72Å; V362-V481 HydrophobicContact CG2-CB 4.37Å; V362-V481 HydrophobicContact CG2-CG1 4.07Å; V362-V481 HydrophobicContact CG2-CG2 3.57Å; A477-V481 WeakPolarHBondContact O-CB 3.33Å; V481-K483 PolarHBondContact O-N 2.93Å; V481-V485 HydrophobicContact CB-CG2 4.38Å; V481-V485 HydrophobicContact CG1-CB 4.42Å; V481-V485 HydrophobicContact CG1-CG1 4.31Å; V481-V485 HydrophobicContact CG1-CG2 4.08Å
482E90.9Very high93Very high104 Ų10447.2 Ų47.249%0.48624%0.242SC..PPolyproline II helixtrans-69.7126171.5-172.9176.3145.500109.2H356 G357 S388H356-E482 HydrophobicContact CB-CB 4.41Å; H356-E482 PolarHBondContact ND1-N 3.34Å; G357-E482 PolarHBondContact N-O 3.48Å; S388-E482 WeakPolarHBondContact CB-OE2 3.45Å; S388-E482 PolarHBondContact OG-OE2 3.12Å
483K87.5Confident92.6Very high116 Ų11651.5 Ų51.550%0.50426%0.262SS..SBendtrans-75.1151.4-172.6-56.9-56.2-172.6-175.40111.6A477 V481 V485A477-K483 PolarHBondContact O-NZ 3.43Å; V481-K483 PolarHBondContact O-N 2.93Å; K483-V485 HydrophobicContact CD-CG2 3.62Å
484P90.3Very high92.2Very high90 Ų9057.7 Ų57.758%0.58429%0.289SS*.SBendcis-69.9149.9-2.730-35.8000112.5G357 T486G357-P484 WeakPolarHBondContact CA-O 3.33Å; G357-P484 PolarHBondContact N-O 3.48Å; P484-T486 PolarHBondContact O-N 2.93Å
485V90.9Very high92Very high26 Ų2654.8 Ų54.816%0.15828%0.277CS..PPolyproline II helixtrans-70.6126173.6-178.10000108F3 L354 V481 K483F3-V485 HydrophobicContact CB-CG1 3.82Å; F3-V485 HydrophobicContact CD1-CG1 4.11Å; F3-V485 HydrophobicContact CG-CG1 3.89Å; L354-V485 HydrophobicContact CD1-CG1 3.57Å; V481-V485 HydrophobicContact CB-CG2 4.38Å; V481-V485 HydrophobicContact CG1-CB 4.42Å; V481-V485 HydrophobicContact CG1-CG1 4.31Å; V481-V485 HydrophobicContact CG1-CG2 4.08Å; K483-V485 HydrophobicContact CD-CG2 3.62Å
486T93.4Very high91.5Very high47 Ų4756.6 Ų56.629%0.28829%0.285SS..EExtended strand (participates in β ladder)trans-121.8163.3177.668.10000110.9C355 H356 P484C355-T486 WeakPolarHBondContact CB-OG1 3.38Å; C355-T486 PolarHBondContact N-O 3.26Å; C355-T486 PolarHBondContact O-N 3.08Å; C355-T486 VanDerWaalsContact O-N 3.1Å; C355-T486 PolarHBondContact O-OG1 2.77Å; H356-T486 PolarHBondContact O-OG1 3.47Å; P484-T486 PolarHBondContact O-N 2.93Å
487V94.4Very high90.7Very high22 Ų2260.5 Ų60.513%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-133128.8-179.6-1790000109F3 L6 S353 Q489 L492F3-V487 HydrophobicContact CB-CG2 3.91Å; F3-V487 HydrophobicContact CD2-CG2 4.11Å; L6-V487 HydrophobicContact CD1-CG1 4.02Å; L6-V487 HydrophobicContact CD1-CG2 4.14Å; S353-V487 CarbonylContact O-C 3.44Å; S353-V487 VanDerWaalsContact O-CA 3.31Å; S353-V487 WeakPolarHBondContact O-CA 3.38Å; V487-Q489 PolarHBondContact O-N 3.4Å; V487-L492 HydrophobicContact CG1-CD2 4.1Å
488D95.2Very high89.5Confident66 Ų6662.9 Ų62.935%0.35332%0.323SS..  trans-67.898169.6-177.2-15.7000109.6S353 V490 R491 L492S353-D488 PolarHBondContact O-N 3.11Å; D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 2.83Å; D488-V490 PolarHBondContact OD1-N 2.79Å; D488-R491 HydrophobicContact CB-CB 4.02Å; D488-R491 VanDerWaalsContact CG-CB 3.44Å; D488-R491 PolarHBondContact OD1-N 3.48Å; D488-R491 WeakPolarHBondContact OD2-CB 3.42Å; D488-L492 VanDerWaalsContact O-CB 3.31Å; D488-L492 WeakPolarHBondContact O-CB 3.04Å; D488-L492 PolarHBondContact O-N 2.94Å
489Q92.9Very high87.7Confident67 Ų6760.4 Ų60.431%0.31332%0.323SS..Hα-helixtrans-66.1-33.3-179.2-63.9-64.9-27.600112M1 V487 L492 Q493M1-Q489 PolarHBondContact O-NE2 3.23Å; M1-Q489 VanDerWaalsContact O-NE2 3.16Å; V487-Q489 PolarHBondContact O-N 3.4Å; Q489-L492 PolarHBondContact O-N 3.3Å; Q489-Q493 WeakPolarHBondContact O-CB 3.42Å; Q489-Q493 VanDerWaalsContact O-CG 3.25Å; Q489-Q493 WeakPolarHBondContact O-CG 3.21Å; Q489-Q493 PolarHBondContact O-N 3.39Å
490V93.3Very high85.5Confident120 Ų12064.7 Ų64.773%0.72734%0.343SS*.Hα-helixtrans-67.7-48.2-179.5178.10000109.4D488 L492 Q493 K494D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 2.83Å; D488-V490 PolarHBondContact OD1-N 2.79Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.1Å; V490-Q493 PolarHBondContact O-N 3.04Å; V490-K494 WeakPolarHBondContact O-CB 3.24Å; V490-K494 PolarHBondContact O-N 3.44Å
491R92.3Very high82.6Confident102 Ų10270.1 Ų70.139%0.38538%0.38SS..Hα-helixtrans-62-43.3175.6-173.9178.3-176.71024.3111.6S352 D488 K494 L495S352-R491 WeakPolarHBondContact O-CD 3.11Å; S352-R491 PolarHBondContact O-NE 2.99Å; S352-R491 PolarHBondContact OG-NE 2.98Å; D488-R491 HydrophobicContact CB-CB 4.02Å; D488-R491 VanDerWaalsContact CG-CB 3.44Å; D488-R491 PolarHBondContact OD1-N 3.48Å; D488-R491 WeakPolarHBondContact OD2-CB 3.42Å; R491-K494 PolarHBondContact O-N 3.36Å; R491-L495 HydrophobicContact CG-CD1 4.1Å; R491-L495 WeakPolarHBondContact O-CG 3.5Å; R491-L495 PolarHBondContact O-N 3.1Å
492L91.9Very high79.6Confident0 Ų074.9 Ų74.90%041%0.414CS..Hα-helixtrans-60.6-47.1179.3-178.862.6000111.7L6 M349 L350 S353 V487 D488 Q489 V490 L495 K496L6-L492 HydrophobicContact CD1-CD2 3.67Å; L6-L492 HydrophobicContact CD2-CD2 3.89Å; L6-L492 HydrophobicContact CG-CD2 4.47Å; M349-L492 HydrophobicContact CE-CD1 4.07Å; M349-L492 HydrophobicContact CG-CD1 3.56Å; M349-L492 HydrophobicContact SD-CD1 3.73Å; L350-L492 HydrophobicContact CD2-CD1 4.19Å; S353-L492 WeakPolarHBondContact OG-CA 3.36Å; S353-L492 PolarHBondContact OG-N 3.08Å; V487-L492 HydrophobicContact CG1-CD2 4.1Å; D488-L492 VanDerWaalsContact O-CB 3.31Å; D488-L492 WeakPolarHBondContact O-CB 3.04Å; D488-L492 PolarHBondContact O-N 2.94Å; Q489-L492 PolarHBondContact O-N 3.3Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.1Å; L492-L495 PolarHBondContact O-N 3.46Å; L492-K496 WeakPolarHBondContact O-CG 3.14Å; L492-K496 PolarHBondContact O-N 3.3Å
493Q90.3Very high76.7Confident91 Ų9179 Ų7943%0.42543%0.433SS..Hα-helixtrans-64.4-41.8178.9-68.3-59.2-17.300111.8Q489 V490 L495 K496 T497Q489-Q493 WeakPolarHBondContact O-CB 3.42Å; Q489-Q493 VanDerWaalsContact O-CG 3.25Å; Q489-Q493 WeakPolarHBondContact O-CG 3.21Å; Q489-Q493 PolarHBondContact O-N 3.39Å; V490-Q493 PolarHBondContact O-N 3.04Å; Q493-L495 VanDerWaalsContact C-N 3.29Å; Q493-L495 PolarHBondContact O-N 2.87Å; Q493-K496 PolarHBondContact O-N 3.23Å; Q493-K496 VanDerWaalsContact O-N 3.17Å; Q493-T497 PolarHBondContact O-N 3.38Å; Q493-T497 VanDerWaalsContact O-N 3.13Å; Q493-T497 PolarHBondContact O-OG1 3.09Å
494K90.4Very high74Confident130 Ų13082.3 Ų82.357%0.56545%0.45SS*.Hα-helixtrans-57.6-43.2173.9-174.5-179.7179.9179.70111.7V490 R491 K496 T497 V498V490-K494 WeakPolarHBondContact O-CB 3.24Å; V490-K494 PolarHBondContact O-N 3.44Å; R491-K494 PolarHBondContact O-N 3.36Å; K494-K496 VanDerWaalsContact C-N 3.32Å; K494-K496 PolarHBondContact O-N 3.45Å; K494-T497 PolarHBondContact O-N 2.89Å; K494-T497 PolarHBondContact O-OG1 2.89Å; K494-V498 WeakPolarHBondContact O-CG2 3.46Å; K494-V498 PolarHBondContact O-N 3.38Å
495L89.5Confident71Confident3 Ų383.6 Ų83.62%0.01646%0.462CS..Hα-helixtrans-72.1-25.9180-69.9175.6000113.2R345 Y348 M349 S352 R491 L492 Q493R345-L495 PolarHBondContact NH1-O 3Å; R345-L495 PolarHBondContact NH2-O 3.26Å; Y348-L495 HydrophobicContact CE1-CD1 4.14Å; Y348-L495 HydrophobicContact CE1-CD2 3.88Å; M349-L495 HydrophobicContact CG-CB 3.88Å; M349-L495 HydrophobicContact CG-CD1 4.22Å; M349-L495 HydrophobicContact SD-CB 4.43Å; S352-L495 WeakPolarHBondContact OG-CD1 3.29Å; R491-L495 HydrophobicContact CG-CD1 4.1Å; R491-L495 WeakPolarHBondContact O-CG 3.5Å; R491-L495 PolarHBondContact O-N 3.1Å; L492-L495 PolarHBondContact O-N 3.46Å; Q493-L495 VanDerWaalsContact C-N 3.29Å; Q493-L495 PolarHBondContact O-N 2.87Å
496K86.4Confident68.1Low40 Ų4090.6 Ų90.617%0.17450%0.498CS..Hα-helixtrans-70.6-38.7172.9-75.2-174.3174.4-164.70112.3M349 L492 Q493 K494M349-K496 HydrophobicContact SD-CG 3.73Å; L492-K496 WeakPolarHBondContact O-CG 3.14Å; L492-K496 PolarHBondContact O-N 3.3Å; Q493-K496 PolarHBondContact O-N 3.23Å; Q493-K496 VanDerWaalsContact O-N 3.17Å; K494-K496 VanDerWaalsContact C-N 3.32Å; K494-K496 PolarHBondContact O-N 3.45Å
497T78.9Confident65Low83 Ų8396.9 Ų96.951%0.50952%0.524SS..Hα-helixtrans-76.5-26.6-175.754.60000114.3Q493 K494 G499 L500Q493-T497 PolarHBondContact O-N 3.38Å; Q493-T497 VanDerWaalsContact O-N 3.13Å; Q493-T497 PolarHBondContact O-OG1 3.09Å; K494-T497 PolarHBondContact O-N 2.89Å; K494-T497 PolarHBondContact O-OG1 2.89Å; T497-G499 PolarHBondContact O-N 3.42Å; T497-L500 PolarHBondContact O-N 3.12Å; T497-L500 VanDerWaalsContact O-N 3.16Å
498V69.3Low61.7Low55 Ų55105.2 Ų105.233%0.33356%0.561SS.*THydrogen-bonded Turntrans-65.8-4-177.7172.30000113.9E372 K494E372-V498 HydrophobicContact CB-CG1 4.13Å; E372-V498 HydrophobicContact CG-CG1 3.48Å; E372-V498 VanDerWaalsContact CG-CG1 3.48Å; K494-V498 WeakPolarHBondContact O-CG2 3.46Å; K494-V498 PolarHBondContact O-N 3.38Å
499G52.5Low58.4Low45 Ų45107.5 Ų107.546%0.46458%0.58SS.*THydrogen-bonded Turntrans-107.6-0.3175.400000116.1T497T497-G499 PolarHBondContact O-N 3.42Å
500L41.8Very low55.1Low125 Ų125109.7 Ų109.765%0.65460%0.602SS**SBendtrans-95.5132.4176.9-72.5162.5000109.5T497 S502T497-L500 PolarHBondContact O-N 3.12Å; T497-L500 VanDerWaalsContact O-N 3.16Å; L500-S502 PolarHBondContact O-N 3.27Å
501P31.1Very low52Low131 Ų131110.2 Ų110.285%0.85161%0.605SS**  trans-67.5109.517726.1-29.8000109.4
502S28.4Very low48.7Very low110 Ų110113.9 Ų113.977%0.76963%0.627SS**  trans-98.3123.8166.656.80000109.4L500L500-S502 PolarHBondContact O-N 3.27Å
503E31.1Very low45.6Very low190 Ų190121 Ų12189%0.88866%0.663SS**  trans-60.4136.3165.7-67.2-170.2152.900110.2
504E29.4Very low42.5Very low185 Ų185122 Ų12286%0.86468%0.681SS**  trans60.5107.7164.9-60.3-171.9163.500119.3
505S27.2Very low39.4Very low118 Ų118122.5 Ų122.583%0.82569%0.69SS**  -179.2122.3113.137.30000111.2E507S505-E507 PolarHBondContact O-N 3.32Å
506N31.2Very low36.4Very low172 Ų172125.9 Ų125.992%0.9273%0.725SS**  trans-73.892.5169.6-90.5-27.7000109.5
507E27.1Very low33.5Very low180 Ų180131.8 Ų131.884%0.84175%0.753SS**  trans-144.3123.2156.1-72.3-164.7161.600110.4S505 P509S505-E507 PolarHBondContact O-N 3.32Å; E507-P509 WeakPolarHBondContact O-CD 3.25Å
508H25.7Very low31.1Very low197 Ų197135.7 Ų135.791%0.91277%0.769SS**  trans-72.1121.8173.6-73.9-70.8000110.4
509P25.2Very low29Very low113 Ų113141.1 Ų141.173%0.73479%0.791SS**  trans-90.2115.2163.410.78.3000109.1E507 V511E507-P509 WeakPolarHBondContact O-CD 3.25Å; P509-V511 PolarHBondContact O-N 3.34Å
510S23.8Very low27.8Very low113 Ų113148.6 Ų148.679%0.7981%0.81SS**  trans-62.3113.3164.646.70000109.7E512S510-E512 PolarHBondContact O-N 3Å
511V28.5Very low27Very low131 Ų131146.4 Ų146.479%0.79482%0.818SS**  trans-86.1103.9170.3178.70000108.1P509 I513P509-V511 PolarHBondContact O-N 3.34Å; V511-I513 PolarHBondContact O-N 3.42Å
512E22.9Very low26.7Very low180 Ų180145 Ų14584%0.84182%0.817SS**  trans-65.8117.5165.3-75.8-175.8154.700109.5S510 S514S510-E512 PolarHBondContact O-N 3Å; E512-S514 PolarHBondContact O-N 3.01Å
513I26.6Very low26.8Very low148 Ų148148.9 Ų148.976%0.75982%0.823SS**  trans-69.9104.2159.7-60.7172.8000105.4V511 N515V511-I513 PolarHBondContact O-N 3.42Å; I513-N515 VanDerWaalsContact C-N 3.34Å; I513-N515 PolarHBondContact O-N 3.28Å
514S25Very low26.6Very low113 Ų113149 Ų14979%0.7982%0.821SS**  trans-70.296.6173.469.30000109.1E512 G516E512-S514 PolarHBondContact O-N 3.01Å; S514-G516 PolarHBondContact O-N 3.16Å; S514-G516 VanDerWaalsContact O-N 3.07Å
515N26.8Very low26.4Very low141 Ų141149.6 Ų149.675%0.75482%0.821SS**  trans-63.4105162.6-83.4-24.4000107.7I513 Q517I513-N515 VanDerWaalsContact C-N 3.34Å; I513-N515 PolarHBondContact O-N 3.28Å; N515-Q517 PolarHBondContact O-N 2.9Å
516G26.3Very low26.3Very low74 Ų74149.9 Ų149.976%0.76382%0.823SS**  trans-60.4101168.900000110S514 I518S514-G516 PolarHBondContact O-N 3.16Å; S514-G516 VanDerWaalsContact O-N 3.07Å; G516-I518 PolarHBondContact O-N 3.22Å
517Q25.9Very low26Very low164 Ų164146.3 Ų146.377%0.76682%0.817SS**  trans-65127.4169.6-80.2-177.6-23.700109.9N515 H519N515-Q517 PolarHBondContact O-N 2.9Å; Q517-H519 PolarHBondContact O-N 2.95Å
518I27.6Very low26.1Very low164 Ų164147 Ų14784%0.84182%0.821SS**  trans-71.5104.1169-61.8172.1000107.7G516G516-I518 PolarHBondContact O-N 3.22Å
519H25.5Very low26.1Very low169 Ų169142.2 Ų142.278%0.78282%0.815SS**  trans-78.7117.5167.1-91.4-70.9000110.4Q517Q517-H519 PolarHBondContact O-N 2.95Å
520K26.3Very low26.2Very low202 Ų202142.5 Ų142.588%0.87882%0.82SS**  trans-76.3127.9163.6-84.1-175.9173.6-179.40110.1
521G24.9Very low26.3Very low79 Ų79148.6 Ų148.681%0.81483%0.825SS**  trans98.9104.5142.900000117.7
522A24.3Very low26.2Very low101 Ų101151.7 Ų151.784%0.83583%0.828SS**  trans-159.6111.3130.500000109.3K524A522-K524 PolarHBondContact O-N 3.35Å
523E32.6Very low26.3Very low192 Ų192154.1 Ų154.190%0.89783%0.83SS**  trans-58.8126.1164.9-69.8176.2146.700109.7
524K25.8Very low26.3Very low192 Ų192156.7 Ų156.784%0.83584%0.836SS**  trans-167.1116.9145.6-110164.8-171.7178.30112.9A522A522-K524 PolarHBondContact O-N 3.35Å
525K24.3Very low26.2Very low198 Ų198154.2 Ų154.286%0.86183%0.828SS**  trans52.8107.2143.3-65.4-172175.7-173.50118.3A527K525-A527 PolarHBondContact O-N 3.02Å
526S25.5Very low26.4Very low124 Ų124156.4 Ų156.487%0.86783%0.833SS**  trans-45.5119.4158.951.60000112.5
527A24.9Very low26.7Very low98 Ų98157.1 Ų157.181%0.8184%0.84SS**  trans-110.9110.1159.800000107.5K525K525-A527 PolarHBondContact O-N 3.02Å
528E28.9Very low26.7Very low195 Ų195152.5 Ų152.591%0.91184%0.836SS**  trans-63.8128.7171.4-77.3174.6129.900110.2
529A27.3Very low26.8Very low95 Ų95150.1 Ų150.179%0.78583%0.834SS**  trans-126.591.2165.200000109.5R531A529-R531 PolarHBondContact O-N 2.96Å
530S25.8Very low27.2Very low120 Ų120151.6 Ų151.684%0.83984%0.838SS**  trans26.284.4143.9-55.40000118.7K532S530-K532 PolarHBondContact O-N 3.23Å
531R27.2Very low27.5Very low240 Ų240152.1 Ų152.191%0.90684%0.835SS**  trans-70.3116.5149.3-83175.7165163-5.4108.4A529 R533A529-R531 PolarHBondContact O-N 2.96Å; R531-R533 VanDerWaalsContact C-N 3.27Å; R531-R533 PolarHBondContact O-N 3.29Å
532K25.1Very low28Very low197 Ų197154.8 Ų154.886%0.85784%0.838SS**  trans-62.491165.4-85-177.4176178.10108.8S530 F534S530-K532 PolarHBondContact O-N 3.23Å; K532-F534 PolarHBondContact O-N 3.16Å
533R25.1Very low29.1Very low231 Ų231153.5 Ų153.587%0.87283%0.834SS**  trans-70.6113.8158.5-81.1179.9176.8171.3-0.3107.1R531 G535R531-R533 VanDerWaalsContact C-N 3.27Å; R531-R533 PolarHBondContact O-N 3.29Å; R533-G535 PolarHBondContact O-N 2.86Å
534F27Very low30.1Very low202 Ų202151 Ų15189%0.88682%0.823SS**  trans-72.680.7150.3-85.6-83.6000107.1K532K532-F534 PolarHBondContact O-N 3.16Å
535G24.2Very low32Very low60 Ų60145 Ų14562%0.61981%0.809SS**  trans-88103.8166.800000108.3R533R533-G535 PolarHBondContact O-N 2.86Å
536H29.5Very low35.1Very low188 Ų188138 Ų13887%0.8778%0.778SS**  trans-88.9107.2149.1-95.842.2000106.8G538H536-G538 PolarHBondContact O-N 3.07Å; H536-G538 VanDerWaalsContact O-N 3.15Å
537G32.3Very low38.3Very low89 Ų89134.3 Ų134.392%0.91875%0.75SS**  trans-66106.8168.700000109.3
538G27.3Very low41.6Very low66 Ų66129.7 Ų129.768%0.6871%0.712SS**  trans-116.5118.9161.500000108.3H536 K540H536-G538 PolarHBondContact O-N 3.07Å; H536-G538 VanDerWaalsContact O-N 3.15Å; G538-K540 PolarHBondContact O-N 2.71Å
539S29.8Very low44.8Very low114 Ų114122 Ų12280%0.79768%0.678SS**  trans-44.2129.2168.9-178.30000111.2R541S539-R541 PolarHBondContact O-N 3.02Å
540K34.2Very low48.1Very low200 Ų200118.1 Ų118.187%0.8764%0.644SS**  trans-55.3106.5171.1-81.9-174.7175-176.10108.7G538G538-K540 PolarHBondContact O-N 2.71Å
541R31.6Very low51.5Low213 Ų213112.4 Ų112.480%0.80460%0.604SS**  trans-74.1133.6163.5-71.1-176.2-178.4-175.51.6108S539 G543S539-R541 PolarHBondContact O-N 3.02Å; R541-G543 PolarHBondContact O-N 3Å
542P36.5Very low54.8Low135 Ų135101.5 Ų101.588%0.87756%0.563SS**SBendtrans-74.3119.7171.927.6-26.6000109.2
543G46.8Very low58.1Low74 Ų7492.1 Ų92.176%0.76352%0.522SS*.  trans101.851.9162.500000117.2R541 A545R541-G543 PolarHBondContact O-N 3Å; G543-A545 PolarHBondContact O-N 3.49Å
544E53.1Low61.4Low139 Ų13981.2 Ų81.265%0.6548%0.481SS*.  trans-73.1113.2158.1-78.7-177.717800108.5Y546 A749E544-Y546 PolarHBondContact O-N 3.18Å; E544-A749 WeakPolarHBondContact OE2-CB 3.36Å
545A65.8Low64.6Low66 Ų6671.6 Ų71.655%0.54544%0.439SS..  trans-79.9110.6-174.700000109.8G543 L829G543-A545 PolarHBondContact O-N 3.49Å; A545-L829 HydrophobicContact CB-CD2 3.85Å
546Y88.5Confident68Low53 Ų5368.8 Ų68.821%0.20841%0.409CS..EExtended strand (participates in β ladder)trans-63.3142.3170.3-57.2-62.8000110.2E544 E753 W757 L829 I830 A832E544-Y546 PolarHBondContact O-N 3.18Å; Y546-E753 WeakPolarHBondContact CE1-OE2 3.43Å; Y546-E753 VanDerWaalsContact CZ-OE2 3.26Å; Y546-E753 PolarHBondContact OH-OE2 3.34Å; Y546-W757 HydrophobicContact CD1-CH2 4.44Å; Y546-W757 HydrophobicContact CD1-CZ2 4.46Å; Y546-W757 HydrophobicContact CD2-CZ2 4.48Å; Y546-W757 HydrophobicContact CE1-CZ2 4.1Å; Y546-W757 HydrophobicContact CE2-CZ2 4.14Å; Y546-W757 HydrophobicContact CG-CH2 4.42Å; Y546-W757 AromaticContact CZ-CZ2 3.91Å; Y546-L829 CarbonylContact O-C 3.51Å; Y546-L829 WeakPolarHBondContact O-CA 3.44Å; Y546-I830 PolarHBondContact O-N 3.45Å; Y546-A832 HydrophobicContact CD2-CB 4.4Å; Y546-A832 HydrophobicContact CE2-CB 4.18Å
547T93.8Very high70.9Confident46 Ų4660.7 Ų60.728%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-129.7142.1-179.550.90000112.3I746 A747 L829T547-I746 CarbonylContact O-C 3.51Å; T547-I746 VanDerWaalsContact O-CA 3.32Å; T547-I746 WeakPolarHBondContact O-CA 3.48Å; T547-A747 PolarHBondContact O-N 2.89Å; T547-L829 HydrophobicContact CG2-CD2 3.92Å
548L95.1Very high73.7Confident1 Ų156.7 Ų56.71%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-76.5123.8169.2-176.468000109.4I551 L744 I746 I762 G827 S828 I830L548-I551 HydrophobicContact CD2-CD1 3.78Å; L548-I551 HydrophobicContact CD2-CG1 3.72Å; L548-I551 HydrophobicContact CG-CG1 4.37Å; L548-L744 HydrophobicContact CD1-CB 3.98Å; L548-L744 HydrophobicContact CD1-CD2 4.13Å; L548-I746 HydrophobicContact CD1-CG2 4.23Å; L548-I762 HydrophobicContact CB-CG2 4.18Å; L548-I762 HydrophobicContact CD2-CG2 4Å; L548-G827 WeakPolarHBondContact O-CA 3.24Å; L548-G827 PolarHBondContact O-N 2.99Å; L548-S828 PolarHBondContact N-O 3.23Å; L548-I830 HydrophobicContact CB-CD1 4.23Å
549T95.1Very high76.9Confident34 Ų3453.6 Ų53.621%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-106.9-31.3-173.958.90000114.4R708 V745 A747 V826T549-R708 PolarHBondContact OG1-NE 3.14Å; T549-V745 PolarHBondContact N-O 2.94Å; T549-V745 PolarHBondContact OG1-O 3.02Å; T549-A747 HydrophobicContact CG2-CB 3.77Å; T549-V826 VanDerWaalsContact O-CG1 3.27Å; T549-V826 WeakPolarHBondContact O-CG1 2.99Å
550N96.6Very high79.9Confident13 Ų1348.9 Ų48.97%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-147.7148.5177-51.586.5000110.7Y552 E563 R708 V745N550-Y552 HydrophobicContact CB-CD2 4.32Å; N550-Y552 HydrophobicContact CB-CE2 3.56Å; N550-Y552 PolarHBondContact ND2-OH 3.21Å; N550-E563 PolarHBondContact ND2-OE1 3.15Å; N550-R708 PolarHBondContact OD1-NH2 2.59Å; N550-V745 HydrophobicContact CB-CB 4.09Å; N550-V745 HydrophobicContact CB-CG2 4.28Å; N550-V745 PolarHBondContact N-O 3.41Å; N550-V745 PolarHBondContact O-N 3.41Å
551I96.4Very high82.8Confident0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-121.9127.3170.3-57.4172.5000107.8L548 E563 V564 L574 N743 L744 L824 V826L548-I551 HydrophobicContact CD2-CD1 3.78Å; L548-I551 HydrophobicContact CD2-CG1 3.72Å; L548-I551 HydrophobicContact CG-CG1 4.37Å; I551-E563 WeakPolarHBondContact O-CA 3.3Å; I551-V564 HydrophobicContact CB-CG2 3.81Å; I551-V564 HydrophobicContact CG2-CG2 3.58Å; I551-V564 PolarHBondContact O-N 3.44Å; I551-L574 HydrophobicContact CG2-CD1 3.85Å; I551-L574 HydrophobicContact CG2-CD2 4.34Å; I551-N743 CarbonylContact C-O 3.5Å; I551-N743 WeakPolarHBondContact CA-O 3.37Å; I551-L744 HydrophobicContact CG1-CD2 4.17Å; I551-L744 HydrophobicContact CG2-CD2 4.36Å; I551-L824 HydrophobicContact CD1-CB 3.88Å; I551-L824 VanDerWaalsContact CD1-O 3.31Å; I551-L824 WeakPolarHBondContact CD1-O 3.1Å; I551-V826 HydrophobicContact CD1-CG2 4.09Å; I551-V826 HydrophobicContact CG1-CG2 3.91Å
552Y96.5Very high85.9Confident10 Ų1033.4 Ų33.44%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-123.4135.9176.9-59.1-72.8000111.3N550 A561 E563 L574 Q734 I737 A742 N743 V745N550-Y552 HydrophobicContact CB-CD2 4.32Å; N550-Y552 HydrophobicContact CB-CE2 3.56Å; N550-Y552 PolarHBondContact ND2-OH 3.21Å; Y552-A561 HydrophobicContact CD1-CB 3.7Å; Y552-A561 HydrophobicContact CG-CB 4.15Å; Y552-E563 HydrophobicContact CD1-CB 3.75Å; Y552-E563 HydrophobicContact CD1-CG 3.96Å; Y552-E563 HydrophobicContact CE1-CB 3.68Å; Y552-E563 HydrophobicContact CE1-CG 3.6Å; Y552-L574 WeakPolarHBondContact O-CD1 3.38Å; Y552-Q734 PolarHBondContact OH-NE2 3.39Å; Y552-I737 HydrophobicContact CE2-CG2 4.18Å; Y552-A742 WeakPolarHBondContact CB-O 3.14Å; Y552-A742 WeakPolarHBondContact CD2-O 3.29Å; Y552-N743 PolarHBondContact N-O 2.81Å; Y552-N743 WeakPolarHBondContact O-CA 3.25Å; Y552-N743 PolarHBondContact O-ND2 2.82Å; Y552-V745 HydrophobicContact CD2-CG2 4.2Å; Y552-V745 HydrophobicContact CE2-CG2 3.69Å
553I94.9Very high88.7Confident0 Ų031.1 Ų31.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.7143.5173-51.4145.6000107.9P555 Y562 V564 W567 L574 D577I553-P555 HydrophobicContact CG2-CG 4.05Å; I553-P555 WeakPolarHBondContact O-CD 3.24Å; I553-Y562 HydrophobicContact CD1-CD1 3.82Å; I553-Y562 HydrophobicContact CD1-CE1 4.34Å; I553-Y562 PolarHBondContact N-O 3.28Å; I553-Y562 PolarHBondContact O-N 3.09Å; I553-V564 HydrophobicContact CD1-CB 4.31Å; I553-V564 HydrophobicContact CD1-CG1 3.58Å; I553-V564 HydrophobicContact CD1-CG2 3.75Å; I553-V564 HydrophobicContact CG1-CG2 4.3Å; I553-W567 HydrophobicContact CD1-CD2 3.29Å; I553-W567 HydrophobicContact CD1-CE3 3.72Å; I553-W567 HydrophobicContact CD1-CG 3.69Å; I553-W567 HydrophobicContact CD1-CH2 3.97Å; I553-W567 HydrophobicContact CD1-CZ2 3.57Å; I553-W567 HydrophobicContact CD1-CZ3 4.03Å; I553-W567 HydrophobicContact CG1-CD2 4.3Å; I553-W567 HydrophobicContact CG1-CG 4.25Å; I553-L574 HydrophobicContact CG1-CD1 4.08Å; I553-D577 HydrophobicContact CG2-CB 4.11Å
554Y94.9Very high91Very high3 Ų328 Ų281%0.01215%0.153CC..  trans-120.677.3174.2-62.9-78.2000109.5I556 A561 D577 R578 R741Y554-I556 VanDerWaalsContact C-N 3.28Å; Y554-I556 PolarHBondContact O-N 2.83Å; Y554-A561 HydrophobicContact CD1-CB 4.23Å; Y554-A561 VanDerWaalsContact CE1-CA 3.42Å; Y554-A561 HydrophobicContact CE1-CB 3.46Å; Y554-A561 VanDerWaalsContact CE1-CB 3.46Å; Y554-D577 PolarHBondContact N-OD1 3.43Å; Y554-R578 VanDerWaalsContact O-CA 3.29Å; Y554-R578 WeakPolarHBondContact O-CA 3.39Å; Y554-R578 WeakPolarHBondContact O-CG 3.29Å; Y554-R578 PolarHBondContact O-N 3.18Å; Y554-R741 HydrophobicContact CE1-CB 4.35Å; Y554-R741 HydrophobicContact CE1-CG 4.46Å; Y554-R741 HydrophobicContact CE2-CB 4.36Å; Y554-R741 WeakPolarHBondContact OH-CA 3.32Å
555P94.3Very high93Very high0 Ų026.9 Ų26.90%015%0.148CC..SBendtrans-54.1-46.4-175.1-24.933.4000112.5I553 Y576 R578 G579 W580 P603 V605 L612I553-P555 HydrophobicContact CG2-CG 4.05Å; I553-P555 WeakPolarHBondContact O-CD 3.24Å; P555-Y576 WeakPolarHBondContact CA-O 3.36Å; P555-R578 CarbonylContact O-C 3.48Å; P555-R578 WeakPolarHBondContact O-CA 3.13Å; P555-G579 PolarHBondContact O-N 3.03Å; P555-G579 VanDerWaalsContact O-N 3.14Å; P555-W580 HydrophobicContact CB-CE3 4.3Å; P555-W580 HydrophobicContact CB-CZ3 4.44Å; P555-W580 PolarHBondContact O-N 3.46Å; P555-W580 VanDerWaalsContact O-N 3.1Å; P555-P603 HydrophobicContact CB-CB 4.11Å; P555-P603 HydrophobicContact CB-CG 4.48Å; P555-P603 HydrophobicContact CG-CB 4.02Å; P555-P603 HydrophobicContact CG-CG 4.17Å; P555-V605 HydrophobicContact CB-CG2 3.87Å; P555-V605 HydrophobicContact CG-CG2 3.48Å; P555-V605 VanDerWaalsContact CG-CG2 3.48Å; P555-L612 HydrophobicContact CB-CD1 3.86Å; P555-L612 HydrophobicContact CG-CD1 4.34Å
556I94.4Very high94.4Very high0 Ų028.3 Ų28.30%015%0.146CC..BIsolated β-bridgetrans-101.7128.8174.1-51.6177000109.8Y554 S558 C559 W580 V582 P603 L612 L614 L671Y554-I556 VanDerWaalsContact C-N 3.28Å; Y554-I556 PolarHBondContact O-N 2.83Å; I556-S558 PolarHBondContact O-N 2.85Å; I556-C559 HydrophobicContact CB-CB 3.94Å; I556-C559 HydrophobicContact CG2-CB 4.41Å; I556-C559 PolarHBondContact O-N 3.26Å; I556-C559 VanDerWaalsContact O-N 3.13Å; I556-W580 WeakPolarHBondContact CA-O 3.12Å; I556-W580 HydrophobicContact CB-CB 4.36Å; I556-W580 HydrophobicContact CG1-CB 3.86Å; I556-W580 HydrophobicContact CG2-CB 4.4Å; I556-V582 HydrophobicContact CG2-CG2 4.01Å; I556-P603 HydrophobicContact CD1-CB 4.44Å; I556-P603 HydrophobicContact CG1-CB 4.38Å; I556-L612 HydrophobicContact CD1-CD2 4.35Å; I556-L612 HydrophobicContact CG1-CD2 4.22Å; I556-L614 HydrophobicContact CD1-CD1 4.08Å; I556-L614 HydrophobicContact CD1-CD2 3.35Å; I556-L614 HydrophobicContact CD1-CG 4.38Å; I556-L614 HydrophobicContact CG1-CD2 4.47Å; I556-L671 HydrophobicContact CD1-CD1 3.73Å; I556-L671 HydrophobicContact CD1-CD2 4.45Å; I556-L671 HydrophobicContact CG1-CD1 4.15Å; I556-L671 HydrophobicContact CG2-CD1 4.06Å
557K90.3Very high94.6Very high18 Ų1826.5 Ų26.58%0.07814%0.139CC..THydrogen-bonded Turntrans-53.5131.1172.8-165.7-173.6-169.676.50110.2C559 W580 M581 L697 N699K557-C559 PolarHBondContact O-N 3.22Å; K557-W580 PolarHBondContact N-O 2.7Å; K557-M581 HydrophobicContact CB-CB 3.93Å; K557-M581 HydrophobicContact CD-CB 4.4Å; K557-L697 PolarHBondContact NZ-O 3.09Å; K557-N699 PolarHBondContact NZ-OD1 3.2Å
558S90.9Very high94.5Very high6 Ų625.8 Ų25.84%0.04214%0.135CC..THydrogen-bonded Turntrans70.61.3179.8-73.30000116.5I556 S591 Q592 L598I556-S558 PolarHBondContact O-N 2.85Å; S558-S591 WeakPolarHBondContact OG-CA 3.45Å; S558-Q592 WeakPolarHBondContact O-CG 3.31Å; S558-Q592 PolarHBondContact O-NE2 3.23Å; S558-Q592 PolarHBondContact OG-N 3.43Å; S558-L598 CarbonylContact O-C 3.59Å; S558-L598 WeakPolarHBondContact O-CB 3.23Å
559C95.1Very high94.2Very high0 Ų026.4 Ų26.40%014%0.139CC..SBendtrans-88.1175.7170.7-66.10000113.1I556 K557 L598 I601 P603 R741I556-C559 HydrophobicContact CB-CB 3.94Å; I556-C559 HydrophobicContact CG2-CB 4.41Å; I556-C559 PolarHBondContact O-N 3.26Å; I556-C559 VanDerWaalsContact O-N 3.13Å; K557-C559 PolarHBondContact O-N 3.22Å; C559-L598 VanDerWaalsContact CA-O 3.31Å; C559-L598 WeakPolarHBondContact CA-O 3.45Å; C559-I601 HydrophobicContact CB-CB 4.37Å; C559-P603 HydrophobicContact CB-CG 4.11Å; C559-R741 VanDerWaalsContact O-CZ 3.22Å; C559-R741 PolarHBondContact O-NH1 2.73Å; C559-R741 PolarHBondContact O-NH2 3.38Å
560S94.1Very high93.3Very high16 Ų1625.6 Ų25.611%0.11214%0.138CC..  trans-61164.5-179.190.30000112.4C599 I601 R602S560-C599 WeakPolarHBondContact CB-O 3.07Å; S560-I601 WeakPolarHBondContact CB-O 3.25Å; S560-I601 PolarHBondContact N-O 3.03Å; S560-I601 PolarHBondContact OG-O 2.86Å; S560-R602 WeakPolarHBondContact OG-CA 3.2Å
561A94.8Very high92.2Very high36 Ų3629.2 Ų29.230%0.29816%0.162SC..  trans-71.5148.2170.500000111Y552 Y554Y552-A561 HydrophobicContact CD1-CB 3.7Å; Y552-A561 HydrophobicContact CG-CB 4.15Å; Y554-A561 HydrophobicContact CD1-CB 4.23Å; Y554-A561 VanDerWaalsContact CE1-CA 3.42Å; Y554-A561 HydrophobicContact CE1-CB 3.46Å; Y554-A561 VanDerWaalsContact CE1-CB 3.46Å
562Y95.6Very high91.2Very high52 Ų5231.9 Ų31.920%0.20418%0.176CC..EExtended strand (participates in β ladder)trans-107.5108.8160.3179.8-134.8000107.8I553 V564 W567 P603 Q604 V605I553-Y562 HydrophobicContact CD1-CD1 3.82Å; I553-Y562 HydrophobicContact CD1-CE1 4.34Å; I553-Y562 PolarHBondContact N-O 3.28Å; I553-Y562 PolarHBondContact O-N 3.09Å; Y562-V564 HydrophobicContact CD1-CG1 3.8Å; Y562-V564 HydrophobicContact CE1-CG1 3.53Å; Y562-V564 HydrophobicContact CE2-CG1 4.47Å; Y562-V564 HydrophobicContact CG-CG1 4.37Å; Y562-W567 AromaticContact CE1-CH2 3.93Å; Y562-W567 HydrophobicContact CE1-CH2 3.93Å; Y562-W567 AromaticContact CE1-CZ3 3.93Å; Y562-W567 HydrophobicContact CE1-CZ3 3.93Å; Y562-P603 WeakPolarHBondContact CB-O 3.48Å; Y562-Q604 HydrophobicContact CD2-CB 4.34Å; Y562-Q604 HydrophobicContact CD2-CG 3.93Å; Y562-Q604 HydrophobicContact CE2-CB 4.22Å; Y562-Q604 HydrophobicContact CE2-CG 4.02Å; Y562-V605 HydrophobicContact CD1-CB 4.46Å; Y562-V605 HydrophobicContact CE1-CB 4.33Å
563E96Very high90.7Very high86 Ų8631.5 Ų31.540%0.40218%0.175SC..EExtended strand (participates in β ladder)trans-84136.1-179.5-172.1171.9-175.500110.9N550 I551 Y552N550-E563 PolarHBondContact ND2-OE1 3.15Å; I551-E563 WeakPolarHBondContact O-CA 3.3Å; Y552-E563 HydrophobicContact CD1-CB 3.75Å; Y552-E563 HydrophobicContact CD1-CG 3.96Å; Y552-E563 HydrophobicContact CE1-CB 3.68Å; Y552-E563 HydrophobicContact CE1-CG 3.6Å
564V95.8Very high90.5Very high10 Ų1031.8 Ų31.86%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-138.2157-175.4-630000111.2I551 I553 Y562 W567I551-V564 HydrophobicContact CB-CG2 3.81Å; I551-V564 HydrophobicContact CG2-CG2 3.58Å; I551-V564 PolarHBondContact O-N 3.44Å; I553-V564 HydrophobicContact CD1-CB 4.31Å; I553-V564 HydrophobicContact CD1-CG1 3.58Å; I553-V564 HydrophobicContact CD1-CG2 3.75Å; I553-V564 HydrophobicContact CG1-CG2 4.3Å; Y562-V564 HydrophobicContact CD1-CG1 3.8Å; Y562-V564 HydrophobicContact CE1-CG1 3.53Å; Y562-V564 HydrophobicContact CE2-CG1 4.47Å; Y562-V564 HydrophobicContact CG-CG1 4.37Å; V564-W567 HydrophobicContact CB-CE3 4.08Å; V564-W567 HydrophobicContact CG1-CD2 4.46Å; V564-W567 HydrophobicContact CG1-CE3 3.71Å; V564-W567 HydrophobicContact CG1-CZ3 3.9Å; V564-W567 HydrophobicContact CG2-CB 3.84Å; V564-W567 HydrophobicContact CG2-CD2 4.36Å; V564-W567 HydrophobicContact CG2-CE3 4.19Å; V564-W567 HydrophobicContact CG2-CG 4.23Å
565Q94.8Very high90.3Very high115 Ų11534.6 Ų34.654%0.53719%0.191SC..SBendtrans-91.6-44.7175.7-65.6-59.7-44.200111.7S825 V826Q565-S825 CarbonylContact O-C 3.55Å; Q565-S825 WeakPolarHBondContact O-CA 3.13Å; Q565-V826 PolarHBondContact O-N 3.31Å
566D93.6Very high90.1Very high96 Ų9636.4 Ų36.451%0.51320%0.198SC..EExtended strand (participates in β ladder)trans-129.4132.1-179.9-58.4-75.7000109V823 L824 S825D566-V823 HydrophobicContact CB-CG1 3.95Å; D566-L824 CarbonylContact C-O 3.5Å; D566-L824 VanDerWaalsContact CA-O 3.3Å; D566-L824 WeakPolarHBondContact CA-O 3.34Å; D566-S825 WeakPolarHBondContact OD1-CB 3.34Å; D566-S825 PolarHBondContact OD1-OG 3.29Å
567W94.7Very high89.9Confident14 Ų1436.7 Ų36.75%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-145.9141.2178.1-154.4-105.3000114.8I553 Y562 V564 L574 L575 V605 L607 V823 L824I553-W567 HydrophobicContact CD1-CD2 3.29Å; I553-W567 HydrophobicContact CD1-CE3 3.72Å; I553-W567 HydrophobicContact CD1-CG 3.69Å; I553-W567 HydrophobicContact CD1-CH2 3.97Å; I553-W567 HydrophobicContact CD1-CZ2 3.57Å; I553-W567 HydrophobicContact CD1-CZ3 4.03Å; I553-W567 HydrophobicContact CG1-CD2 4.3Å; I553-W567 HydrophobicContact CG1-CG 4.25Å; Y562-W567 AromaticContact CE1-CH2 3.93Å; Y562-W567 HydrophobicContact CE1-CH2 3.93Å; Y562-W567 AromaticContact CE1-CZ3 3.93Å; Y562-W567 HydrophobicContact CE1-CZ3 3.93Å; V564-W567 HydrophobicContact CB-CE3 4.08Å; V564-W567 HydrophobicContact CG1-CD2 4.46Å; V564-W567 HydrophobicContact CG1-CE3 3.71Å; V564-W567 HydrophobicContact CG1-CZ3 3.9Å; V564-W567 HydrophobicContact CG2-CB 3.84Å; V564-W567 HydrophobicContact CG2-CD2 4.36Å; V564-W567 HydrophobicContact CG2-CE3 4.19Å; V564-W567 HydrophobicContact CG2-CG 4.23Å; W567-L574 HydrophobicContact CB-CD2 4.46Å; W567-L575 PolarHBondContact NE1-O 2.77Å; W567-V605 HydrophobicContact CH2-CB 3.88Å; W567-V605 HydrophobicContact CH2-CG1 3.81Å; W567-V605 HydrophobicContact CZ2-CB 4.13Å; W567-V605 HydrophobicContact CZ2-CG1 3.89Å; W567-L607 HydrophobicContact CH2-CD1 4.09Å; W567-L607 HydrophobicContact CH2-CD2 4.37Å; W567-L607 HydrophobicContact CH2-CG 4.04Å; W567-L607 HydrophobicContact CZ2-CD1 4.43Å; W567-L607 HydrophobicContact CZ2-CD2 4.37Å; W567-L607 HydrophobicContact CZ2-CG 4.48Å; W567-L607 HydrophobicContact CZ3-CD1 4.27Å; W567-V823 WeakPolarHBondContact O-CA 3.23Å; W567-L824 PolarHBondContact N-O 3.47Å; W567-L824 PolarHBondContact O-N 2.68Å
568P91.6Very high89.9Confident32 Ų3237.3 Ų37.321%0.20820%0.202CC..EExtended strand (participates in β ladder)trans-66.3138.8176.4-18.631.7000112.8L575 L607P568-L575 HydrophobicContact CB-CB 4.07Å; P568-L575 HydrophobicContact CB-CD2 4.16Å; P568-L575 HydrophobicContact CG-CD2 4.15Å; P568-L575 PolarHBondContact O-N 3Å; P568-L607 HydrophobicContact CG-CD1 4.35Å
569V87.2Confident89.8Confident14 Ų1437.7 Ų37.79%0.08521%0.206CC..EExtended strand (participates in β ladder)trans-98129.9168.7171.30000108.9L574 Y703 N822 L824V569-L574 HydrophobicContact CG2-CD2 4.33Å; V569-Y703 WeakPolarHBondContact CG1-OH 3.37Å; V569-N822 HydrophobicContact CB-CB 4.39Å; V569-N822 PolarHBondContact N-O 2.92Å; V569-L824 HydrophobicContact CG2-CB 4.46Å; V569-L824 HydrophobicContact CG2-CD1 3.54Å; V569-L824 HydrophobicContact CG2-CG 3.58Å
570G77.3Confident89.6Confident17 Ų1737.7 Ų37.718%0.17521%0.207CC..EExtended strand (participates in β ladder)trans-121.3179.117400000112.3L572 G573G570-L572 PolarHBondContact O-N 3.09Å; G570-L572 VanDerWaalsContact O-N 3.09Å; G570-G573 PolarHBondContact N-O 3.03Å; G570-G573 PolarHBondContact O-N 3.47Å; G570-G573 VanDerWaalsContact O-N 3.11Å; G570-G573 VanDerWaalsContact O-O 3.13Å
571P72.3Confident89.6Confident89 Ų8937 Ų3758%0.57820%0.201SC*.THydrogen-bonded Turntrans-65.9-14.7-176.126.4-35.3000114Q702P571-Q702 PolarHBondContact O-NE2 3.36Å
572L75.8Confident89.5Confident56 Ų5635.3 Ų35.329%0.29319%0.187SC..THydrogen-bonded Turntrans-102.2-3.2178.7-61.6177.6000113.8G570 L694G570-L572 PolarHBondContact O-N 3.09Å; G570-L572 VanDerWaalsContact O-N 3.09Å; L572-L694 HydrophobicContact CD2-CB 3.52Å
573G87.3Confident89.2Confident2 Ų233.1 Ų33.12%0.02118%0.18CC..EExtended strand (participates in β ladder)trans128-154.9-171.400000113.1G570 L575 Y703G570-G573 PolarHBondContact N-O 3.03Å; G570-G573 PolarHBondContact O-N 3.47Å; G570-G573 VanDerWaalsContact O-N 3.11Å; G570-G573 VanDerWaalsContact O-O 3.13Å; G573-L575 PolarHBondContact O-N 3.24Å; G573-Y703 VanDerWaalsContact CA-CZ 3.48Å; G573-Y703 VanDerWaalsContact CA-OH 3.24Å; G573-Y703 WeakPolarHBondContact CA-OH 3.37Å; G573-Y703 PolarHBondContact O-OH 2.91Å
574L90.9Very high88.8Confident5 Ų530.3 Ų30.33%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-59.5134.9166.1-67.8176.4000109.3I551 Y552 I553 W567 V569 Y576 D577 Y703 N743 L824I551-L574 HydrophobicContact CG2-CD1 3.85Å; I551-L574 HydrophobicContact CG2-CD2 4.34Å; Y552-L574 WeakPolarHBondContact O-CD1 3.38Å; I553-L574 HydrophobicContact CG1-CD1 4.08Å; W567-L574 HydrophobicContact CB-CD2 4.46Å; V569-L574 HydrophobicContact CG2-CD2 4.33Å; L574-Y576 PolarHBondContact O-N 3.23Å; L574-D577 HydrophobicContact CB-CB 4.03Å; L574-D577 VanDerWaalsContact O-CB 3.32Å; L574-D577 WeakPolarHBondContact O-CB 3.16Å; L574-D577 PolarHBondContact O-N 2.68Å; L574-Y703 HydrophobicContact CD2-CE1 3.96Å; L574-Y703 HydrophobicContact CG-CD1 4.1Å; L574-Y703 HydrophobicContact CG-CE1 3.7Å; L574-N743 HydrophobicContact CD1-CB 4.16Å; L574-L824 HydrophobicContact CD2-CD1 4.06Å
575L89.9Confident88.1Confident63 Ų6336.2 Ų36.233%0.3319%0.194SC..THydrogen-bonded Turntrans-55.4132.2-178.6-174.368.3000110.5W567 P568 G573 D577 L607W567-L575 PolarHBondContact NE1-O 2.77Å; P568-L575 HydrophobicContact CB-CB 4.07Å; P568-L575 HydrophobicContact CB-CD2 4.16Å; P568-L575 HydrophobicContact CG-CD2 4.15Å; P568-L575 PolarHBondContact O-N 3Å; G573-L575 PolarHBondContact O-N 3.24Å; L575-D577 PolarHBondContact O-N 3.46Å; L575-L607 HydrophobicContact CD2-CD2 4.06Å
576Y90.3Very high87.3Confident37 Ų3736.1 Ų36.115%0.14520%0.197CC..THydrogen-bonded Turntrans64.210-176-59.5-62.9000116.5P555 L574 R578 W580 V605 L607 L626 E627P555-Y576 WeakPolarHBondContact CA-O 3.36Å; L574-Y576 PolarHBondContact O-N 3.23Å; Y576-R578 PolarHBondContact O-N 3.44Å; Y576-W580 AromaticContact CD1-CH2 3.54Å; Y576-W580 HydrophobicContact CD1-CH2 3.54Å; Y576-W580 AromaticContact CD1-CZ3 3.87Å; Y576-W580 HydrophobicContact CD1-CZ3 3.87Å; Y576-W580 HydrophobicContact CE1-CH2 4.14Å; Y576-W580 HydrophobicContact CG-CH2 4.3Å; Y576-W580 HydrophobicContact CG-CZ3 4.35Å; Y576-V605 HydrophobicContact CD2-CG1 3.73Å; Y576-V605 HydrophobicContact CE2-CG1 4.43Å; Y576-V605 HydrophobicContact CG-CG1 4.23Å; Y576-L607 HydrophobicContact CD2-CD2 3.71Å; Y576-L607 HydrophobicContact CE2-CD2 3.44Å; Y576-L607 VanDerWaalsContact CE2-CD2 3.44Å; Y576-L626 HydrophobicContact CD1-CD2 4.24Å; Y576-L626 HydrophobicContact CD2-CD1 4.49Å; Y576-L626 HydrophobicContact CE1-CB 4.08Å; Y576-L626 HydrophobicContact CE1-CD2 4.28Å; Y576-L626 HydrophobicContact CE2-CD1 4.06Å; Y576-L626 HydrophobicContact CG-CD2 4.38Å; Y576-E627 PolarHBondContact OH-OE1 2.71Å
577D90.4Very high86.5Confident7 Ų733 Ų334%0.03719%0.187CC..THydrogen-bonded Turntrans-70.3123171.3-166.570.4000111.3I553 Y554 L574 L575 G579 S696 N743I553-D577 HydrophobicContact CG2-CB 4.11Å; Y554-D577 PolarHBondContact N-OD1 3.43Å; L574-D577 HydrophobicContact CB-CB 4.03Å; L574-D577 VanDerWaalsContact O-CB 3.32Å; L574-D577 WeakPolarHBondContact O-CB 3.16Å; L574-D577 PolarHBondContact O-N 2.68Å; L575-D577 PolarHBondContact O-N 3.46Å; D577-G579 PolarHBondContact O-N 3.43Å; D577-S696 PolarHBondContact O-OG 2.71Å; D577-S696 VanDerWaalsContact O-OG 3.08Å; D577-N743 PolarHBondContact OD1-ND2 2.91Å; D577-N743 PolarHBondContact OD2-ND2 2.93Å
578R89.4Confident85.8Confident30 Ų3035.4 Ų35.411%0.11320%0.204CC..THydrogen-bonded Turntrans52.139.3-179.6-57.7177.4-165.2-95.61.3113.7Y554 P555 Y576 W580 L697 V698Y554-R578 VanDerWaalsContact O-CA 3.29Å; Y554-R578 WeakPolarHBondContact O-CA 3.39Å; Y554-R578 WeakPolarHBondContact O-CG 3.29Å; Y554-R578 PolarHBondContact O-N 3.18Å; P555-R578 CarbonylContact O-C 3.48Å; P555-R578 WeakPolarHBondContact O-CA 3.13Å; Y576-R578 PolarHBondContact O-N 3.44Å; R578-W580 PolarHBondContact O-N 3.38Å; R578-L697 HydrophobicContact CB-CB 4.43Å; R578-L697 VanDerWaalsContact O-CB 3.25Å; R578-L697 WeakPolarHBondContact O-CB 3.5Å; R578-L697 WeakPolarHBondContact O-CG 3.33Å; R578-L697 PolarHBondContact O-N 3.37Å; R578-V698 HydrophobicContact CB-CG1 4.46Å; R578-V698 HydrophobicContact CG-CG1 4.43Å
579G88.8Confident85.5Confident14 Ų1435 Ų3514%0.14420%0.202CC..  trans-71.8-19171.300000113.6P555 D577 R673 Q674P555-G579 PolarHBondContact O-N 3.03Å; P555-G579 VanDerWaalsContact O-N 3.14Å; D577-G579 PolarHBondContact O-N 3.43Å; G579-R673 WeakPolarHBondContact O-CA 3.38Å; G579-Q674 PolarHBondContact O-N 2.94Å
580W92.1Very high85.5Confident1 Ų135 Ų350%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-129.8159.5-174-65.3-98.3000113.2P555 I556 K557 Y576 R578 L612 L626 C653 L671 I672 R673P555-W580 HydrophobicContact CB-CE3 4.3Å; P555-W580 HydrophobicContact CB-CZ3 4.44Å; P555-W580 PolarHBondContact O-N 3.46Å; P555-W580 VanDerWaalsContact O-N 3.1Å; I556-W580 WeakPolarHBondContact CA-O 3.12Å; I556-W580 HydrophobicContact CB-CB 4.36Å; I556-W580 HydrophobicContact CG1-CB 3.86Å; I556-W580 HydrophobicContact CG2-CB 4.4Å; K557-W580 PolarHBondContact N-O 2.7Å; Y576-W580 AromaticContact CD1-CH2 3.54Å; Y576-W580 HydrophobicContact CD1-CH2 3.54Å; Y576-W580 AromaticContact CD1-CZ3 3.87Å; Y576-W580 HydrophobicContact CD1-CZ3 3.87Å; Y576-W580 HydrophobicContact CE1-CH2 4.14Å; Y576-W580 HydrophobicContact CG-CH2 4.3Å; Y576-W580 HydrophobicContact CG-CZ3 4.35Å; R578-W580 PolarHBondContact O-N 3.38Å; W580-L612 HydrophobicContact CD2-CD2 3.83Å; W580-L612 HydrophobicContact CE3-CD2 4.11Å; W580-L612 HydrophobicContact CG-CD2 4.22Å; W580-L612 HydrophobicContact CZ2-CD2 4.29Å; W580-L612 HydrophobicContact CZ3-CD2 4.47Å; W580-L626 HydrophobicContact CH2-CD2 3.57Å; W580-L626 HydrophobicContact CZ2-CD2 4.09Å; W580-L626 HydrophobicContact CZ3-CD2 4.45Å; W580-C653 VanDerWaalsContact CD1-SG 3.56Å; W580-L671 HydrophobicContact CB-CD1 4.05Å; W580-I672 CarbonylContact C-O 3.51Å; W580-I672 VanDerWaalsContact CA-O 3.25Å; W580-I672 WeakPolarHBondContact CA-O 3.35Å; W580-R673 HydrophobicContact CD2-CG 4.25Å; W580-R673 HydrophobicContact CG-CB 4.33Å; W580-R673 HydrophobicContact CG-CG 4.29Å; W580-R673 HydrophobicContact CZ2-CG 4.24Å
581M92.4Very high86Confident0 Ų035.8 Ų35.80%020%0.204CC..EExtended strand (participates in β ladder)trans-148.8155.6168.862.7-177.3163.800112K557 C589 V643 T650 I672 L697K557-M581 HydrophobicContact CB-CB 3.93Å; K557-M581 HydrophobicContact CD-CB 4.4Å; M581-C589 HydrophobicContact SD-CB 3.9Å; M581-C589 VanDerWaalsContact SD-SG 3.69Å; M581-V643 HydrophobicContact CE-CG2 3.67Å; M581-V643 HydrophobicContact SD-CG2 3.69Å; M581-T650 HydrophobicContact CE-CG2 3.83Å; M581-I672 HydrophobicContact CE-CD1 3.36Å; M581-I672 HydrophobicContact CE-CG1 4.07Å; M581-I672 HydrophobicContact CG-CD1 3.8Å; M581-I672 HydrophobicContact CG-CG1 3.54Å; M581-I672 PolarHBondContact N-O 3.49Å; M581-I672 WeakPolarHBondContact O-CG1 3.21Å; M581-I672 PolarHBondContact O-N 2.88Å; M581-I672 HydrophobicContact SD-CD1 4.27Å; M581-L697 HydrophobicContact CB-CD1 4.32Å; M581-L697 HydrophobicContact CE-CD1 4.37Å; M581-L697 HydrophobicContact CE-CD2 4.48Å; M581-L697 HydrophobicContact CG-CD1 4.09Å; M581-L697 HydrophobicContact SD-CD1 4.22Å
582V92.8Very high86.9Confident1 Ų131.6 Ų31.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-93132.9173.6-175.10000109.4I556 C589 L590 L598 L661 L665 C669 R670 L671I556-V582 HydrophobicContact CG2-CG2 4.01Å; V582-C589 WeakPolarHBondContact O-CA 3.38Å; V582-L590 HydrophobicContact CG1-CD1 4Å; V582-L590 PolarHBondContact O-N 2.84Å; V582-L598 HydrophobicContact CB-CD2 4.2Å; V582-L598 HydrophobicContact CG2-CD2 4Å; V582-L661 HydrophobicContact CG1-CD1 4.15Å; V582-L661 HydrophobicContact CG2-CD1 3.95Å; V582-L661 HydrophobicContact CG2-CD2 4.07Å; V582-L665 HydrophobicContact CG1-CD1 4.22Å; V582-C669 HydrophobicContact CG1-CB 3.9Å; V582-R670 WeakPolarHBondContact CA-O 3.29Å; V582-L671 HydrophobicContact CG2-CD1 4.24Å
583V90.3Very high87.1Confident7 Ų733.3 Ų33.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-119.9151.5175.2-66.90000111.6V588 C669 R670 I672V583-V588 VanDerWaalsContact CA-O 3.3Å; V583-V588 WeakPolarHBondContact CA-O 3.08Å; V583-C669 CarbonylContact O-C 3.15Å; V583-C669 VanDerWaalsContact O-CA 3.23Å; V583-C669 WeakPolarHBondContact O-CA 3.31Å; V583-R670 HydrophobicContact CG2-CB 4.09Å; V583-R670 PolarHBondContact N-O 2.86Å; V583-R670 PolarHBondContact O-N 2.97Å; V583-I672 HydrophobicContact CB-CD1 4.37Å; V583-I672 HydrophobicContact CG1-CD1 3.3Å; V583-I672 HydrophobicContact CG1-CG1 3.92Å; V583-I672 HydrophobicContact CG2-CD1 4.14Å; V583-I672 HydrophobicContact CG2-CG1 4.33Å; V583-I672 HydrophobicContact CG2-CG2 3.98Å
584N86.8Confident86.8Confident26 Ų2642.5 Ų42.514%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-80.1-180170.369.78.8000112.2N586 G587 V588 L590N584-N586 PolarHBondContact O-N 2.75Å; N584-N586 WeakPolarHBondContact OD1-CA 3.45Å; N584-N586 PolarHBondContact OD1-N 2.84Å; N584-G587 PolarHBondContact O-N 3.22Å; N584-G587 PolarHBondContact OD1-N 2.72Å; N584-V588 PolarHBondContact N-O 3.27Å; N584-V588 WeakPolarHBondContact OD1-CB 3.22Å; N584-V588 PolarHBondContact OD1-N 3.43Å; N584-L590 HydrophobicContact CB-CD2 4.11Å
585H81.4Confident86.8Confident134 Ų13443.6 Ų43.662%0.6222%0.221SC*.THydrogen-bonded Turntrans-54.4-22.7177.467.9-86.1000115.5G587 P668H585-G587 VanDerWaalsContact C-N 3.35Å; H585-P668 HydrophobicContact CB-CB 4.3Å; H585-P668 PolarHBondContact N-O 3.12Å
586N77.8Confident86.9Confident113 Ų11341.8 Ų41.860%0.60421%0.212SC*.THydrogen-bonded Turntrans-92.17.3176.9-66-40.8000113N584 V588N584-N586 PolarHBondContact O-N 2.75Å; N584-N586 WeakPolarHBondContact OD1-CA 3.45Å; N584-N586 PolarHBondContact OD1-N 2.84Å; N586-V588 VanDerWaalsContact C-N 3.27Å; N586-V588 HydrophobicContact CB-CG2 4.25Å; N586-V588 PolarHBondContact O-N 2.06Å
587G76.1Confident87.1Confident30 Ų3044.6 Ų44.631%0.30922%0.223SC..SBendtrans73.513.9-177.900000114.4N584 H585 S641N584-G587 PolarHBondContact O-N 3.22Å; N584-G587 PolarHBondContact OD1-N 2.72Å; H585-G587 VanDerWaalsContact C-N 3.35Å; G587-S641 PolarHBondContact O-OG 3.02Å
588V80.3Confident87.4Confident66 Ų6644.3 Ų44.340%0.422%0.221SC..PPolyproline II helixtrans-87.8126.7-179.5-178.70000109.9V583 N584 N586 L590V583-V588 VanDerWaalsContact CA-O 3.3Å; V583-V588 WeakPolarHBondContact CA-O 3.08Å; N584-V588 PolarHBondContact N-O 3.27Å; N584-V588 WeakPolarHBondContact OD1-CB 3.22Å; N584-V588 PolarHBondContact OD1-N 3.43Å; N586-V588 VanDerWaalsContact C-N 3.27Å; N586-V588 HydrophobicContact CB-CG2 4.25Å; N586-V588 PolarHBondContact O-N 2.06Å; V588-L590 PolarHBondContact O-N 3.15Å
589C85.3Confident87.6Confident24 Ų2443 Ų4316%0.16222%0.216CC..BIsolated β-bridgetrans-57125176.7-176.60000111.4M581 V582M581-C589 HydrophobicContact SD-CB 3.9Å; M581-C589 VanDerWaalsContact SD-SG 3.69Å; V582-C589 WeakPolarHBondContact O-CA 3.38Å
590L88.3Confident88Confident12 Ų1244.5 Ų44.56%0.06322%0.221CC..PPolyproline II helixtrans-76.8144.5169.6-62-175.8000109.7V582 N584 V588 L598 L665V582-L590 HydrophobicContact CG1-CD1 4Å; V582-L590 PolarHBondContact O-N 2.84Å; N584-L590 HydrophobicContact CB-CD2 4.11Å; V588-L590 PolarHBondContact O-N 3.15Å; L590-L598 HydrophobicContact CB-CD1 3.85Å; L590-L665 HydrophobicContact CD1-CD1 4.17Å
591S88Confident88.2Confident35 Ų3544.4 Ų44.425%0.24522%0.22CC..  trans-133.4154.6177.968.30000110.2S558 K593 R594 E595S558-S591 WeakPolarHBondContact OG-CA 3.45Å; S591-K593 PolarHBondContact O-N 2.83Å; S591-R594 PolarHBondContact O-N 2.86Å; S591-E595 PolarHBondContact O-N 2.94Å
592Q89.6Confident88.4Confident0 Ų051.2 Ų51.20%025%0.246CC..THydrogen-bonded Turntrans-55.5-20.2176.6-72.2-169.4-300114S558 E595 T596 L598 M778 V781S558-Q592 WeakPolarHBondContact O-CG 3.31Å; S558-Q592 PolarHBondContact O-NE2 3.23Å; S558-Q592 PolarHBondContact OG-N 3.43Å; Q592-E595 WeakPolarHBondContact CA-O 3.35Å; Q592-T596 WeakPolarHBondContact O-CG2 3.35Å; Q592-L598 HydrophobicContact CG-CB 4.44Å; Q592-M778 HydrophobicContact CB-CG 4.43Å; Q592-V781 HydrophobicContact CB-CG2 4.46Å
593K80.8Confident88.6Confident93 Ų9351.2 Ų51.240%0.40425%0.246SC..THydrogen-bonded Turntrans-66.3-40174.9-64.5-176.9-178.4-179.30112S591 C776 K788S591-K593 PolarHBondContact O-N 2.83Å; K593-C776 WeakPolarHBondContact CE-SG 3.41Å; K593-C776 PolarHBondContact NZ-SG 3.13Å; K593-C776 VanDerWaalsContact NZ-SG 3.42Å; K593-K788 PolarHBondContact O-NZ 2.9Å
594R81.2Confident88.8Confident195 Ų19553.7 Ų53.774%0.73626%0.257SS*.THydrogen-bonded Turntrans-92.6-42.2-178.1-69.3-174.8177.3-177.1-2.2111.8S591S591-R594 PolarHBondContact O-N 2.86Å
595E90.9Very high89.2Confident28 Ų2852.5 Ų52.513%0.13125%0.251CS..  trans-127.894.4-177.7-179.551.5-96.900109.3S591 Q592 R597 L598 L665 Q667S591-E595 PolarHBondContact O-N 2.94Å; Q592-E595 WeakPolarHBondContact CA-O 3.35Å; E595-R597 VanDerWaalsContact C-N 3.29Å; E595-R597 PolarHBondContact O-N 2.96Å; E595-R597 VanDerWaalsContact OE1-CB 3.25Å; E595-R597 WeakPolarHBondContact OE1-CB 3.48Å; E595-R597 VanDerWaalsContact OE1-CG 3.27Å; E595-R597 WeakPolarHBondContact OE1-CG 3.47Å; E595-R597 PolarHBondContact OE1-N 3.13Å; E595-R597 VanDerWaalsContact OE1-N 3.15Å; E595-L598 HydrophobicContact CB-CD1 4.23Å; E595-L598 HydrophobicContact CB-CG 4.36Å; E595-L598 HydrophobicContact CG-CD1 4.44Å; E595-L598 HydrophobicContact CG-CG 4.04Å; E595-L665 HydrophobicContact CG-CD2 3.83Å; E595-Q667 PolarHBondContact OE2-NE2 3.03Å; E595-Q667 VanDerWaalsContact OE2-NE2 3.13Å
596T92.4Very high89.7Confident24 Ų2449.9 Ų49.915%0.14724%0.239CC..G310 helixtrans-72-25.6-175.4510000112.5Q592 L598 C599 V781 G786 K788Q592-T596 WeakPolarHBondContact O-CG2 3.35Å; T596-L598 PolarHBondContact O-N 3.33Å; T596-C599 PolarHBondContact O-N 2.85Å; T596-C599 PolarHBondContact O-SG 3.45Å; T596-V781 HydrophobicContact CG2-CG1 3.94Å; T596-V781 HydrophobicContact CG2-CG2 3.83Å; T596-G786 WeakPolarHBondContact CB-O 3.38Å; T596-G786 PolarHBondContact OG1-O 3.02Å; T596-K788 HydrophobicContact CG2-CD 4.18Å; T596-K788 HydrophobicContact CG2-CG 3.76Å
597R94.2Very high90.3Very high97 Ų9748 Ų4837%0.36623%0.229SC..G310 helixtrans-61.7-18.7-178.3-59.3174.266.5-152.9-2.6112.6E595 C599 L600 F664 L665E595-R597 VanDerWaalsContact C-N 3.29Å; E595-R597 PolarHBondContact O-N 2.96Å; E595-R597 VanDerWaalsContact OE1-CB 3.25Å; E595-R597 WeakPolarHBondContact OE1-CB 3.48Å; E595-R597 VanDerWaalsContact OE1-CG 3.27Å; E595-R597 WeakPolarHBondContact OE1-CG 3.47Å; E595-R597 PolarHBondContact OE1-N 3.13Å; E595-R597 VanDerWaalsContact OE1-N 3.15Å; R597-C599 PolarHBondContact O-N 2.58Å; R597-C599 VanDerWaalsContact O-N 3.17Å; R597-L600 VanDerWaalsContact O-CB 3.3Å; R597-L600 WeakPolarHBondContact O-CB 3.19Å; R597-L600 PolarHBondContact O-N 3.23Å; R597-F664 HydrophobicContact CB-CE1 4.26Å; R597-F664 PolarHBondContact NH1-O 3.03Å; R597-F664 PolarHBondContact NH2-O 3.15Å; R597-L665 HydrophobicContact CB-CD2 4.01Å; R597-L665 PolarHBondContact NH1-O 3.11Å
598L95.4Very high90.9Very high1 Ų152.1 Ų52.11%0.00526%0.259CS..G310 helixtrans-51.6-35.2169.8-71.7170.8000112.5S558 C559 V582 L590 Q592 E595 T596 L600 I601 L665S558-L598 CarbonylContact O-C 3.59Å; S558-L598 WeakPolarHBondContact O-CB 3.23Å; C559-L598 VanDerWaalsContact CA-O 3.31Å; C559-L598 WeakPolarHBondContact CA-O 3.45Å; V582-L598 HydrophobicContact CB-CD2 4.2Å; V582-L598 HydrophobicContact CG2-CD2 4Å; L590-L598 HydrophobicContact CB-CD1 3.85Å; Q592-L598 HydrophobicContact CG-CB 4.44Å; E595-L598 HydrophobicContact CB-CD1 4.23Å; E595-L598 HydrophobicContact CB-CG 4.36Å; E595-L598 HydrophobicContact CG-CD1 4.44Å; E595-L598 HydrophobicContact CG-CG 4.04Å; T596-L598 PolarHBondContact O-N 3.33Å; L598-L600 PolarHBondContact O-N 2.91Å; L598-I601 HydrophobicContact CD2-CD1 4.01Å; L598-I601 WeakPolarHBondContact O-CB 3.43Å; L598-I601 PolarHBondContact O-N 3.44Å; L598-I601 VanDerWaalsContact O-N 3.15Å; L598-L665 HydrophobicContact CD2-CD1 3.81Å; L598-L665 HydrophobicContact CD2-CD2 4.28Å
599C94.8Very high91.3Very high1 Ų151.5 Ų51.51%0.00726%0.261CS..G310 helixtrans-64.7-19.5179.278.50000113.7S560 T596 R597 Q783 G786S560-C599 WeakPolarHBondContact CB-O 3.07Å; T596-C599 PolarHBondContact O-N 2.85Å; T596-C599 PolarHBondContact O-SG 3.45Å; R597-C599 PolarHBondContact O-N 2.58Å; R597-C599 VanDerWaalsContact O-N 3.17Å; C599-Q783 PolarHBondContact SG-O 2.94Å; C599-G786 WeakPolarHBondContact SG-CA 3.34Å
600L96.2Very high91.6Very high46 Ų4653.4 Ų53.424%0.24127%0.27CS..G310 helixtrans-85.3-12.2-179.9-53.8179.1000112.7R597 L598 F664 D784R597-L600 VanDerWaalsContact O-CB 3.3Å; R597-L600 WeakPolarHBondContact O-CB 3.19Å; R597-L600 PolarHBondContact O-N 3.23Å; L598-L600 PolarHBondContact O-N 2.91Å; L600-F664 HydrophobicContact CB-CE1 4.44Å; L600-F664 HydrophobicContact CB-CZ 3.96Å; L600-F664 HydrophobicContact CD1-CZ 4.5Å; L600-D784 WeakPolarHBondContact CD2-O 3.48Å
601I97.3Very high91.8Very high0 Ų056.9 Ų56.90%028%0.284CS..  trans-79.5121.8173-57.4171.3000107.7C559 S560 L598 P603 L614 W660 L661 F664 L665C559-I601 HydrophobicContact CB-CB 4.37Å; S560-I601 WeakPolarHBondContact CB-O 3.25Å; S560-I601 PolarHBondContact N-O 3.03Å; S560-I601 PolarHBondContact OG-O 2.86Å; L598-I601 HydrophobicContact CD2-CD1 4.01Å; L598-I601 WeakPolarHBondContact O-CB 3.43Å; L598-I601 PolarHBondContact O-N 3.44Å; L598-I601 VanDerWaalsContact O-N 3.15Å; I601-P603 WeakPolarHBondContact O-CD 3.37Å; I601-L614 HydrophobicContact CG2-CB 4.49Å; I601-W660 HydrophobicContact CD1-CZ3 4.31Å; I601-W660 HydrophobicContact CG1-CH2 4.41Å; I601-W660 HydrophobicContact CG1-CZ3 4.26Å; I601-W660 HydrophobicContact CG2-CH2 4.02Å; I601-W660 HydrophobicContact CG2-CZ3 3.93Å; I601-L661 HydrophobicContact CD1-CD2 3.68Å; I601-F664 HydrophobicContact CD1-CD1 3.94Å; I601-F664 HydrophobicContact CD1-CE1 4.18Å; I601-F664 HydrophobicContact CG1-CD1 3.75Å; I601-F664 HydrophobicContact CG1-CE1 3.61Å; I601-L665 HydrophobicContact CD1-CD2 4.47Å
602R96.3Very high92.2Very high142 Ų14255.2 Ų55.254%0.53627%0.273SS..EExtended strand (participates in β ladder)trans-103.693.6-177.6-62.9-176.2177172.2-1.7111.1S560 Q615S560-R602 WeakPolarHBondContact OG-CA 3.2Å; R602-Q615 HydrophobicContact CB-CB 4.31Å; R602-Q615 PolarHBondContact N-O 3.22Å; R602-Q615 PolarHBondContact O-N 2.9Å; R602-Q615 VanDerWaalsContact O-N 3.1Å
603P96.4Very high92.5Very high2 Ų257.8 Ų57.81%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-75.1138.5172.630.3-34.8000111P555 I556 C559 Y562 I601 L612 F613 L614P555-P603 HydrophobicContact CB-CB 4.11Å; P555-P603 HydrophobicContact CB-CG 4.48Å; P555-P603 HydrophobicContact CG-CB 4.02Å; P555-P603 HydrophobicContact CG-CG 4.17Å; I556-P603 HydrophobicContact CD1-CB 4.44Å; I556-P603 HydrophobicContact CG1-CB 4.38Å; C559-P603 HydrophobicContact CB-CG 4.11Å; Y562-P603 WeakPolarHBondContact CB-O 3.48Å; I601-P603 WeakPolarHBondContact O-CD 3.37Å; P603-L612 HydrophobicContact CB-CD1 3.93Å; P603-F613 CarbonylContact C-O 3.58Å; P603-F613 VanDerWaalsContact CA-O 3.31Å; P603-F613 WeakPolarHBondContact CA-O 3.42Å; P603-L614 HydrophobicContact CB-CD2 4.12Å
604Q95.9Very high93.2Very high58 Ų5853.3 Ų53.327%0.27127%0.265SS..EExtended strand (participates in β ladder)trans-131.7125.7172.6-65.8-174.6-7.600110.2Y562 F613Y562-Q604 HydrophobicContact CD2-CB 4.34Å; Y562-Q604 HydrophobicContact CD2-CG 3.93Å; Y562-Q604 HydrophobicContact CE2-CB 4.22Å; Y562-Q604 HydrophobicContact CE2-CG 4.02Å; Q604-F613 PolarHBondContact N-O 2.7Å; Q604-F613 PolarHBondContact O-N 2.8Å
605V94.2Very high94Very high2 Ų247.6 Ų47.61%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-95.4115.9-179.2175.10000108.9P555 Y562 W567 Y576 L607 L612 L626P555-V605 HydrophobicContact CB-CG2 3.87Å; P555-V605 HydrophobicContact CG-CG2 3.48Å; P555-V605 VanDerWaalsContact CG-CG2 3.48Å; Y562-V605 HydrophobicContact CD1-CB 4.46Å; Y562-V605 HydrophobicContact CE1-CB 4.33Å; W567-V605 HydrophobicContact CH2-CB 3.88Å; W567-V605 HydrophobicContact CH2-CG1 3.81Å; W567-V605 HydrophobicContact CZ2-CB 4.13Å; W567-V605 HydrophobicContact CZ2-CG1 3.89Å; Y576-V605 HydrophobicContact CD2-CG1 3.73Å; Y576-V605 HydrophobicContact CE2-CG1 4.43Å; Y576-V605 HydrophobicContact CG-CG1 4.23Å; V605-L607 HydrophobicContact CG1-CD2 3.93Å; V605-L607 HydrophobicContact CG1-CG 4.44Å; V605-L612 HydrophobicContact CG2-CD1 3.88Å; V605-L626 HydrophobicContact CG1-CD1 3.7Å; V605-L626 HydrophobicContact CG1-CD2 3.93Å; V605-L626 HydrophobicContact CG1-CG 4.49Å; V605-L626 HydrophobicContact CG2-CD2 4.41Å
606H92.8Very high94.2Very high78 Ų7846.8 Ų46.836%0.36125%0.245SC..EExtended strand (participates in β ladder)trans-106.193.7176.1-74.1-102.3000110.1A608 A609 N610 K611 F613H606-A608 PolarHBondContact O-N 2.97Å; H606-A609 HydrophobicContact CB-CB 4.11Å; H606-A609 PolarHBondContact O-N 3.12Å; H606-N610 PolarHBondContact O-N 3.13Å; H606-N610 VanDerWaalsContact O-N 3.13Å; H606-K611 PolarHBondContact N-O 3.37Å; H606-K611 PolarHBondContact O-N 2.88Å; H606-F613 HydrophobicContact CB-CD2 4.33Å; H606-F613 HydrophobicContact CB-CE2 4.08Å; H606-F613 AromaticContact CD2-CD2 3.38Å; H606-F613 WeakPolarHBondContact CD2-CD2 3.28Å; H606-F613 AromaticContact CD2-CE2 3.8Å; H606-F613 AromaticContact CG-CD2 3.98Å; H606-F613 AromaticContact CG-CE2 3.94Å
607L89.4Confident94.2Very high75 Ų7551.4 Ų51.439%0.39328%0.278SS..G310 helixtrans-57-46.1-177.8-62.5176.7000112.4W567 P568 L575 Y576 V605 A609 N610 L626W567-L607 HydrophobicContact CH2-CD1 4.09Å; W567-L607 HydrophobicContact CH2-CD2 4.37Å; W567-L607 HydrophobicContact CH2-CG 4.04Å; W567-L607 HydrophobicContact CZ2-CD1 4.43Å; W567-L607 HydrophobicContact CZ2-CD2 4.37Å; W567-L607 HydrophobicContact CZ2-CG 4.48Å; W567-L607 HydrophobicContact CZ3-CD1 4.27Å; P568-L607 HydrophobicContact CG-CD1 4.35Å; L575-L607 HydrophobicContact CD2-CD2 4.06Å; Y576-L607 HydrophobicContact CD2-CD2 3.71Å; Y576-L607 HydrophobicContact CE2-CD2 3.44Å; Y576-L607 VanDerWaalsContact CE2-CD2 3.44Å; V605-L607 HydrophobicContact CG1-CD2 3.93Å; V605-L607 HydrophobicContact CG1-CG 4.44Å; L607-A609 PolarHBondContact O-N 3.07Å; L607-N610 PolarHBondContact O-N 3.1Å; L607-N610 VanDerWaalsContact O-N 3.15Å; L607-L626 HydrophobicContact CD2-CD1 4.48Å
608A88.3Confident94.1Very high115 Ų11550.8 Ų50.895%0.9530%0.301SS*.G310 helixtrans-64.4-28.6-17800000113.6H606H606-A608 PolarHBondContact O-N 2.97Å
609A89.3Confident94.1Very high54 Ų5453.5 Ų53.545%0.44632%0.315SS..G310 helixtrans-95.4-2.4179.900000113H606 L607 K611H606-A609 HydrophobicContact CB-CB 4.11Å; H606-A609 PolarHBondContact O-N 3.12Å; L607-A609 PolarHBondContact O-N 3.07Å; A609-K611 HydrophobicContact CB-CB 4.43Å; A609-K611 WeakPolarHBondContact O-CG 3.5Å; A609-K611 PolarHBondContact O-N 3.21Å
610N90.9Very high94Very high64 Ų6461.9 Ų61.934%0.34235%0.354SS..THydrogen-bonded Turntrans5139.1-171.3-160.337000113.5H606 L607 L626H606-N610 PolarHBondContact O-N 3.13Å; H606-N610 VanDerWaalsContact O-N 3.13Å; L607-N610 PolarHBondContact O-N 3.1Å; L607-N610 VanDerWaalsContact O-N 3.15Å; N610-L626 PolarHBondContact O-N 2.75Å; N610-L626 WeakPolarHBondContact OD1-CB 3.28Å
611K93.7Very high94Very high84 Ų8462.6 Ų62.637%0.36536%0.363SS..EExtended strand (participates in β ladder)trans-134.2142-173.6-76.1-179.7179.7-161.10114.1H606 A609 F613 V624 L626H606-K611 PolarHBondContact N-O 3.37Å; H606-K611 PolarHBondContact O-N 2.88Å; A609-K611 HydrophobicContact CB-CB 4.43Å; A609-K611 WeakPolarHBondContact O-CG 3.5Å; A609-K611 PolarHBondContact O-N 3.21Å; K611-F613 HydrophobicContact CB-CD2 4.22Å; K611-F613 HydrophobicContact CB-CE2 3.66Å; K611-F613 HydrophobicContact CB-CZ 4.12Å; K611-F613 HydrophobicContact CD-CE2 4.37Å; K611-F613 HydrophobicContact CD-CZ 3.97Å; K611-V624 WeakPolarHBondContact CA-O 3.44Å; K611-L626 VanDerWaalsContact C-CG 3.5Å
612L95.2Very high93.9Very high0 Ų062.9 Ų62.90%036%0.364CS..EExtended strand (participates in β ladder)trans-99.2118.2164.9174.264.8000108.6P555 I556 W580 P603 V605 L614 S623 V624 L626P555-L612 HydrophobicContact CB-CD1 3.86Å; P555-L612 HydrophobicContact CG-CD1 4.34Å; I556-L612 HydrophobicContact CD1-CD2 4.35Å; I556-L612 HydrophobicContact CG1-CD2 4.22Å; W580-L612 HydrophobicContact CD2-CD2 3.83Å; W580-L612 HydrophobicContact CE3-CD2 4.11Å; W580-L612 HydrophobicContact CG-CD2 4.22Å; W580-L612 HydrophobicContact CZ2-CD2 4.29Å; W580-L612 HydrophobicContact CZ3-CD2 4.47Å; P603-L612 HydrophobicContact CB-CD1 3.93Å; V605-L612 HydrophobicContact CG2-CD1 3.88Å; L612-L614 HydrophobicContact CD1-CD2 4.38Å; L612-L614 HydrophobicContact CD2-CD2 4.19Å; L612-L614 HydrophobicContact CG-CD2 3.98Å; L612-S623 CarbonylContact O-C 3.41Å; L612-S623 WeakPolarHBondContact O-CA 3.19Å; L612-V624 PolarHBondContact N-O 3.49Å; L612-V624 PolarHBondContact O-N 2.96Å; L612-L626 HydrophobicContact CB-CD2 3.79Å
613F96.4Very high93.8Very high54 Ų5457.8 Ų57.824%0.23735%0.351CS..EExtended strand (participates in β ladder)trans-98.5136.9175.2-69.3-90.8000110.7P603 Q604 H606 K611 V622P603-F613 CarbonylContact C-O 3.58Å; P603-F613 VanDerWaalsContact CA-O 3.31Å; P603-F613 WeakPolarHBondContact CA-O 3.42Å; Q604-F613 PolarHBondContact N-O 2.7Å; Q604-F613 PolarHBondContact O-N 2.8Å; H606-F613 HydrophobicContact CB-CD2 4.33Å; H606-F613 HydrophobicContact CB-CE2 4.08Å; H606-F613 AromaticContact CD2-CD2 3.38Å; H606-F613 WeakPolarHBondContact CD2-CD2 3.28Å; H606-F613 AromaticContact CD2-CE2 3.8Å; H606-F613 AromaticContact CG-CD2 3.98Å; H606-F613 AromaticContact CG-CE2 3.94Å; K611-F613 HydrophobicContact CB-CD2 4.22Å; K611-F613 HydrophobicContact CB-CE2 3.66Å; K611-F613 HydrophobicContact CB-CZ 4.12Å; K611-F613 HydrophobicContact CD-CE2 4.37Å; K611-F613 HydrophobicContact CD-CZ 3.97Å; F613-V622 WeakPolarHBondContact CA-O 3.44Å
614L96.9Very high93.6Very high0 Ų058 Ų580%035%0.352CS..EExtended strand (participates in β ladder)trans-110.6133.1172.7-45.5-176.3000109.3I556 I601 P603 L612 S621 V622 W660 L671I556-L614 HydrophobicContact CD1-CD1 4.08Å; I556-L614 HydrophobicContact CD1-CD2 3.35Å; I556-L614 HydrophobicContact CD1-CG 4.38Å; I556-L614 HydrophobicContact CG1-CD2 4.47Å; I601-L614 HydrophobicContact CG2-CB 4.49Å; P603-L614 HydrophobicContact CB-CD2 4.12Å; L612-L614 HydrophobicContact CD1-CD2 4.38Å; L612-L614 HydrophobicContact CD2-CD2 4.19Å; L612-L614 HydrophobicContact CG-CD2 3.98Å; L614-S621 WeakPolarHBondContact O-CA 3.43Å; L614-S621 PolarHBondContact O-OG 3.26Å; L614-V622 HydrophobicContact CB-CG1 3.73Å; L614-V622 HydrophobicContact CD1-CG1 3.97Å; L614-V622 HydrophobicContact CG-CG1 4.02Å; L614-V622 PolarHBondContact N-O 2.86Å; L614-V622 PolarHBondContact O-N 3Å; L614-W660 HydrophobicContact CB-CE3 4.4Å; L614-W660 HydrophobicContact CB-CH2 4.02Å; L614-W660 HydrophobicContact CB-CZ2 4.39Å; L614-W660 HydrophobicContact CB-CZ3 4.02Å; L614-W660 HydrophobicContact CD1-CE3 4.34Å; L614-W660 HydrophobicContact CD1-CZ3 4.37Å; L614-L671 HydrophobicContact CD1-CD2 4.34Å
615Q96.5Very high93.3Very high74 Ų7458.3 Ų58.335%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-133143.2179.3-65.6176.1-20.500109.7R602 S621R602-Q615 HydrophobicContact CB-CB 4.31Å; R602-Q615 PolarHBondContact N-O 3.22Å; R602-Q615 PolarHBondContact O-N 2.9Å; R602-Q615 VanDerWaalsContact O-N 3.1Å; Q615-S621 WeakPolarHBondContact CG-OG 3.2Å
616A95.1Very high93Very high12 Ų1258.2 Ų58.210%0.09936%0.358CS..  trans-149.4153.7169.800000109.2G618 M619 W660 F664A616-G618 PolarHBondContact O-N 3Å; A616-M619 HydrophobicContact CB-CB 4.39Å; A616-M619 HydrophobicContact CB-CG 4.25Å; A616-M619 PolarHBondContact O-N 3.15Å; A616-M619 VanDerWaalsContact O-N 3.14Å; A616-W660 HydrophobicContact CB-CH2 3.73Å; A616-W660 HydrophobicContact CB-CZ2 3.94Å; A616-F664 HydrophobicContact CB-CD2 3.79Å; A616-F664 HydrophobicContact CB-CE1 4.43Å; A616-F664 HydrophobicContact CB-CE2 3.5Å; A616-F664 HydrophobicContact CB-CG 4.38Å; A616-F664 HydrophobicContact CB-CZ 3.86Å
617S92.9Very high92.4Very high120 Ų12060 Ų6084%0.83937%0.367SS*.THydrogen-bonded Turntrans-59.3127.4178.7-169.70000110.6
618G91.9Very high91.3Very high84 Ų8459.9 Ų59.987%0.86637%0.367SS*.THydrogen-bonded Turntrans80.76.6-179.500000115.8A616A616-G618 PolarHBondContact O-N 3Å
619M94.8Very high89.7Confident58 Ų5860.6 Ų60.629%0.28635%0.354SS..SBendtrans-118.7143.5177.2-62.9-72.5-66.300110.6A616 W660 D663 F664A616-M619 HydrophobicContact CB-CB 4.39Å; A616-M619 HydrophobicContact CB-CG 4.25Å; A616-M619 PolarHBondContact O-N 3.15Å; A616-M619 VanDerWaalsContact O-N 3.14Å; M619-W660 HydrophobicContact CB-CZ2 3.84Å; M619-W660 HydrophobicContact CE-CD2 4.16Å; M619-W660 HydrophobicContact CE-CG 4.03Å; M619-W660 WeakPolarHBondContact CE-O 3.39Å; M619-W660 HydrophobicContact CG-CZ2 4.3Å; M619-D663 HydrophobicContact CE-CB 4.15Å; M619-F664 HydrophobicContact CE-CB 4.19Å; M619-F664 HydrophobicContact CG-CB 4.44Å; M619-F664 HydrophobicContact CG-CD2 3.74Å; M619-F664 HydrophobicContact CG-CG 4.49Å; M619-F664 HydrophobicContact SD-CB 4.38Å; M619-F664 HydrophobicContact SD-CD2 4.4Å
620E94.1Very high87.6Confident177 Ų17765 Ų6583%0.82738%0.376SS*.  trans-67.4152.3166.6-67.4-169.6166.900110.6W660E620-W660 PolarHBondContact O-NE1 3.37Å
621S94.8Very high85.3Confident62 Ų6273.5 Ų73.543%0.43440%0.403SS..  trans-77.7135-177.2-167.60000111.5L614 Q615L614-S621 WeakPolarHBondContact O-CA 3.43Å; L614-S621 PolarHBondContact O-OG 3.26Å; Q615-S621 WeakPolarHBondContact CG-OG 3.2Å
622V95.9Very high82.8Confident5 Ų575.4 Ų75.43%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-108.2147.1172.864.40000110.2F613 L614 E656 W660F613-V622 WeakPolarHBondContact CA-O 3.44Å; L614-V622 HydrophobicContact CB-CG1 3.73Å; L614-V622 HydrophobicContact CD1-CG1 3.97Å; L614-V622 HydrophobicContact CG-CG1 4.02Å; L614-V622 PolarHBondContact N-O 2.86Å; L614-V622 PolarHBondContact O-N 3Å; V622-E656 HydrophobicContact CG2-CG 3.87Å; V622-W660 HydrophobicContact CB-CB 4.3Å; V622-W660 HydrophobicContact CB-CG 3.96Å; V622-W660 HydrophobicContact CG1-CB 3.92Å; V622-W660 HydrophobicContact CG1-CD2 3.58Å; V622-W660 HydrophobicContact CG1-CE3 4.12Å; V622-W660 HydrophobicContact CG1-CG 3.45Å; V622-W660 VanDerWaalsContact CG1-CG 3.45Å
623S93.8Very high80.5Confident35 Ų3582 Ų8225%0.24545%0.447CS..EExtended strand (participates in β ladder)trans-120.6141.5179.377.80000112.3L612L612-S623 CarbonylContact O-C 3.41Å; L612-S623 WeakPolarHBondContact O-CA 3.19Å
624V92.9Very high77.9Confident7 Ų784.7 Ų84.74%0.04248%0.479CS..EExtended strand (participates in β ladder)trans-125.4137.6176.8-176.80000108.7K611 L612 C653 A657 L671K611-V624 WeakPolarHBondContact CA-O 3.44Å; L612-V624 PolarHBondContact N-O 3.49Å; L612-V624 PolarHBondContact O-N 2.96Å; V624-C653 HydrophobicContact CG1-CB 3.77Å; V624-A657 HydrophobicContact CG2-CB 3.93Å; V624-L671 HydrophobicContact CG2-CD2 4.01Å
625P90.3Very high75.4Confident64 Ų6491.7 Ų91.742%0.41652%0.517SS..EExtended strand (participates in β ladder)trans-58.7138.8175-23.734.2000112.8
626L86.4Confident73.3Confident0 Ų090.6 Ų90.60%052%0.517CS..SBendtrans-78.7-20.4174-68.8173.1000112.6Y576 W580 V605 L607 N610 K611 L612 R673Y576-L626 HydrophobicContact CD1-CD2 4.24Å; Y576-L626 HydrophobicContact CD2-CD1 4.49Å; Y576-L626 HydrophobicContact CE1-CB 4.08Å; Y576-L626 HydrophobicContact CE1-CD2 4.28Å; Y576-L626 HydrophobicContact CE2-CD1 4.06Å; Y576-L626 HydrophobicContact CG-CD2 4.38Å; W580-L626 HydrophobicContact CH2-CD2 3.57Å; W580-L626 HydrophobicContact CZ2-CD2 4.09Å; W580-L626 HydrophobicContact CZ3-CD2 4.45Å; V605-L626 HydrophobicContact CG1-CD1 3.7Å; V605-L626 HydrophobicContact CG1-CD2 3.93Å; V605-L626 HydrophobicContact CG1-CG 4.49Å; V605-L626 HydrophobicContact CG2-CD2 4.41Å; L607-L626 HydrophobicContact CD2-CD1 4.48Å; N610-L626 PolarHBondContact O-N 2.75Å; N610-L626 WeakPolarHBondContact OD1-CB 3.28Å; K611-L626 VanDerWaalsContact C-CG 3.5Å; L612-L626 HydrophobicContact CB-CD2 3.79Å; L626-R673 PolarHBondContact O-NH1 3.1Å; L626-R673 PolarHBondContact O-NH2 3.21Å
627E80.8Confident71.3Confident115 Ų11599.5 Ų99.554%0.53755%0.548SS..SBendtrans-140.7136.4174.3-66.1-176176.200107.6Y576Y576-E627 PolarHBondContact OH-OE1 2.71Å
628D66.2Low69.4Low73 Ų7396.9 Ų96.939%0.3953%0.527SS..  trans-80.9132.8175.6-67.8-39.7000108.8V630 M651D628-V630 PolarHBondContact O-N 3.47Å; D628-M651 VanDerWaalsContact OD2-CE 3.28Å; D628-M651 WeakPolarHBondContact OD2-CE 3.27Å
629D54.2Low67.6Low130 Ų13095.1 Ų95.170%0.69550%0.501SS*.  trans-64.3101.6162.3-89.7-42.1000107.5R631 L632D629-R631 PolarHBondContact O-N 2.77Å; D629-L632 HydrophobicContact CB-CD1 4.46Å; D629-L632 PolarHBondContact O-N 3.3Å; D629-L632 VanDerWaalsContact O-N 3.14Å
630V46.1Very low65.6Low147 Ų14798.4 Ų98.489%0.89152%0.515SS*.THydrogen-bonded Turntrans-51.5-8.5-177.4-177.80000113.6D628D628-V630 PolarHBondContact O-N 3.47Å
631R43.1Very low63.8Low242 Ų24290.1 Ų90.191%0.91348%0.477SS*.THydrogen-bonded Turntrans-96.6-10.1-176.1-63.9-176.1177.71790.3115.6D629D629-R631 PolarHBondContact O-N 2.77Å
632L41.4Very low61.8Low125 Ų12594 Ų9465%0.65449%0.486SS*.SBendtrans-114.1-12-165.9-88154.4000117.6D629D629-L632 HydrophobicContact CB-CD1 4.46Å; D629-L632 PolarHBondContact O-N 3.3Å; D629-L632 VanDerWaalsContact O-N 3.14Å
633H45.5Very low59.7Low138 Ų13894.1 Ų94.164%0.63949%0.487SS*.  trans-132.385.7-176.3-63.4-56000113.6D635H633-D635 PolarHBondContact O-N 3.43Å
634A42Very low57.5Low111 Ų11196.2 Ų96.292%0.91750%0.501SS*.THydrogen-bonded Turntrans-66.1-7.2164.100000113.3
635D44.5Very low55.2Low147 Ų14798.8 Ų98.879%0.78653%0.528SS*.THydrogen-bonded Turntrans-1038.3-178.9-81.9-31.1000114.5H633 R637H633-D635 PolarHBondContact O-N 3.43Å; D635-R637 PolarHBondContact O-N 3.44Å
636S51.8Low53.2Low51 Ų5197.7 Ų97.736%0.35752%0.519SS..  trans-64.199.7175.660.70000109.9V638S636-V638 PolarHBondContact O-N 2.82Å
637R54.5Low51.8Low199 Ų199106.2 Ų106.275%0.75155%0.551SS**  trans-62.9108.4-178.9-69.8-178.6175.9-171.9-0.6109.6D635 C639D635-R637 PolarHBondContact O-N 3.44Å; R637-C639 PolarHBondContact O-N 2.89Å; R637-C639 VanDerWaalsContact O-N 3.15Å
638V52.3Low51.1Low65 Ų65101 Ų10139%0.39453%0.527SS..EExtended strand (participates in β ladder)trans-67.2111.2171.5178.80000108.2S636S636-V638 PolarHBondContact O-N 2.82Å
639C54.5Low51.3Low47 Ų47100.7 Ų100.732%0.31852%0.523SS..EExtended strand (participates in β ladder)trans-103.4132.7179-710000109.9R637 T650R637-C639 PolarHBondContact O-N 2.89Å; R637-C639 VanDerWaalsContact O-N 3.15Å; C639-T650 PolarHBondContact N-O 3.45Å; C639-T650 PolarHBondContact O-N 3.2Å; C639-T650 PolarHBondContact O-OG1 2.87Å
640H53.1Low52.4Low126 Ų12694.5 Ų94.558%0.58349%0.49SS*.EExtended strand (participates in β ladder)trans-90.2105.3170.5-65.682.9000108.6
641S55.5Low54.1Low4 Ų488.4 Ų88.43%0.02845%0.452CS..EExtended strand (participates in β ladder)trans-105.3166.6173.9-167.80000111.1G587 R647 V648G587-S641 PolarHBondContact O-OG 3.02Å; S641-R647 WeakPolarHBondContact O-CA 3.45Å; S641-V648 PolarHBondContact N-O 3.2Å; S641-V648 PolarHBondContact O-N 3.17Å
642K53.6Low56.1Low144 Ų14478.7 Ų78.763%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-109.3123.5176.6-72.8-174.2-179.8-179.20110.9D646K642-D646 CarbonylContact C-O 3.5Å; K642-D646 VanDerWaalsContact CA-O 3.28Å; K642-D646 WeakPolarHBondContact CA-O 3.19Å
643V51.6Low58.4Low6 Ų674 Ų744%0.03640%0.396CS..EExtended strand (participates in β ladder)trans-116.4117.2169.4-1780000108.4M581 G645 D646 V648 L697M581-V643 HydrophobicContact CE-CG2 3.67Å; M581-V643 HydrophobicContact SD-CG2 3.69Å; V643-G645 PolarHBondContact O-N 3.02Å; V643-D646 PolarHBondContact N-O 3.48Å; V643-D646 PolarHBondContact O-N 3.27Å; V643-V648 HydrophobicContact CB-CG2 4Å; V643-V648 HydrophobicContact CG2-CG2 3.88Å; V643-L697 HydrophobicContact CG2-CD2 4.17Å
644C47Very low60.5Low80 Ų8068.9 Ų68.954%0.54138%0.38SS..THydrogen-bonded Turntrans5232.6178.9-65.10000114.2
645G45.2Very low62.8Low60 Ų6069 Ų6962%0.61937%0.366SS*.THydrogen-bonded Turntrans93.8-15.3-179.200000115.2V643V643-G645 PolarHBondContact O-N 3.02Å
646D47.9Very low65.1Low42 Ų4268.7 Ų68.723%0.22536%0.359CS..EExtended strand (participates in β ladder)trans-91.4139.2-177-55.1-28.6000110.5K642 V643 R680 K683K642-D646 CarbonylContact C-O 3.5Å; K642-D646 VanDerWaalsContact CA-O 3.28Å; K642-D646 WeakPolarHBondContact CA-O 3.19Å; V643-D646 PolarHBondContact N-O 3.48Å; V643-D646 PolarHBondContact O-N 3.27Å; D646-R680 IonicContact OD2-NH1 3.72Å; D646-R680 PolarHBondContact OD2-NH1 3.36Å; D646-K683 VanDerWaalsContact CG-NZ 3.25Å; D646-K683 WeakPolarHBondContact OD1-CE 3.31Å; D646-K683 IonicContact OD1-NZ 3.64Å; D646-K683 PolarHBondContact OD1-NZ 3.4Å; D646-K683 WeakPolarHBondContact OD2-CE 3.44Å; D646-K683 IonicContact OD2-NZ 2.7Å; D646-K683 PolarHBondContact OD2-NZ 2.82Å
647R58Low67.1Low179 Ų17966.3 Ų66.368%0.67534%0.343SS*.EExtended strand (participates in β ladder)trans-75.1125.7172.3-82.2-179.3161176.6-4.4109.1S641 Y678S641-R647 WeakPolarHBondContact O-CA 3.45Å; R647-Y678 PolarHBondContact O-OH 2.99Å
648V64.4Low68.9Low4 Ų457.1 Ų57.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-118.6137.2177.4-172.10000109.2S641 V643 T650 Y678 L697S641-V648 PolarHBondContact N-O 3.2Å; S641-V648 PolarHBondContact O-N 3.17Å; V643-V648 HydrophobicContact CB-CG2 4Å; V643-V648 HydrophobicContact CG2-CG2 3.88Å; V648-T650 HydrophobicContact CB-CG2 4.42Å; V648-T650 HydrophobicContact CG1-CG2 4.12Å; V648-Y678 HydrophobicContact CB-CE1 4.35Å; V648-Y678 HydrophobicContact CG1-CD1 3.87Å; V648-Y678 HydrophobicContact CG1-CE1 3.76Å; V648-L697 HydrophobicContact CG1-CD2 3.78Å; V648-L697 HydrophobicContact CG2-CD2 4.46Å
649E71.1Confident71Confident67 Ų6757.1 Ų57.131%0.31331%0.312SS..EExtended strand (participates in β ladder)trans-79125.7170.2-68.7-168.5-163.200110.7R675 Y678E649-R675 HydrophobicContact CB-CG 4.23Å; E649-R675 PolarHBondContact O-N 3.36Å; E649-R675 WeakPolarHBondContact OE2-CD 3.3Å; E649-R675 IonicContact OE2-NH1 3.5Å; E649-R675 PolarHBondContact OE2-NH1 3.01Å; E649-Y678 HydrophobicContact CB-CD2 4.35Å; E649-Y678 HydrophobicContact CB-CG 4.44Å; E649-Y678 HydrophobicContact CG-CD2 4.36Å
650T77.4Confident73Confident0 Ų055.8 Ų55.80%030%0.301CS..EExtended strand (participates in β ladder)trans-134.7154.2-175.860.40000112.1M581 C639 V648 I672 R673M581-T650 HydrophobicContact CE-CG2 3.83Å; C639-T650 PolarHBondContact N-O 3.45Å; C639-T650 PolarHBondContact O-N 3.2Å; C639-T650 PolarHBondContact O-OG1 2.87Å; V648-T650 HydrophobicContact CB-CG2 4.42Å; V648-T650 HydrophobicContact CG1-CG2 4.12Å; T650-I672 HydrophobicContact CG2-CD1 4.05Å; T650-R673 CarbonylContact C-O 3.58Å; T650-R673 WeakPolarHBondContact CA-O 3.39Å; T650-R673 WeakPolarHBondContact CB-O 3.49Å
651M81.9Confident75.1Confident19 Ų1949.8 Ų49.89%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-110.9141.6175.6-57.9-175.1-56.200109.7D628 I672 R673 R675D628-M651 VanDerWaalsContact OD2-CE 3.28Å; D628-M651 WeakPolarHBondContact OD2-CE 3.27Å; M651-I672 CarbonylContact O-C 3.58Å; M651-I672 VanDerWaalsContact O-CA 3.23Å; M651-I672 WeakPolarHBondContact O-CA 3.46Å; M651-R673 PolarHBondContact N-O 2.74Å; M651-R673 PolarHBondContact O-N 2.65Å; M651-R675 HydrophobicContact CG-CG 3.7Å; M651-R675 HydrophobicContact SD-CG 4.09Å
652D85.7Confident77Confident38 Ų3850.8 Ų50.820%0.20328%0.28CS..EExtended strand (participates in β ladder)trans-78.1131.5176.5-161.8-53.1000111G654 R670D652-G654 VanDerWaalsContact C-N 3.27Å; D652-G654 PolarHBondContact O-N 3.43Å; D652-G654 PolarHBondContact OD1-N 3.25Å; D652-R670 IonicContact OD1-CZ 3.1Å; D652-R670 IonicContact OD1-NE 3.23Å; D652-R670 PolarHBondContact OD1-NE 3.41Å; D652-R670 IonicContact OD1-NH2 2.77Å; D652-R670 PolarHBondContact OD1-NH2 3.08Å; D652-R670 IonicContact OD2-CZ 2.83Å; D652-R670 VanDerWaalsContact OD2-CZ 3.23Å; D652-R670 IonicContact OD2-NE 2.81Å; D652-R670 PolarHBondContact OD2-NE 3.08Å; D652-R670 IonicContact OD2-NH2 3.27Å; D652-R670 PolarHBondContact OD2-NH2 3.26Å; D652-R670 VanDerWaalsContact OD2-NH2 3.1Å
653C89.4Confident79Confident28 Ų2849.1 Ų49.119%0.18928%0.278CS..  trans-85.79.4-179-61.60000114.2W580 V624 L671W580-C653 VanDerWaalsContact CD1-SG 3.56Å; V624-C653 HydrophobicContact CG1-CB 3.77Å; C653-L671 HydrophobicContact CB-CB 4Å; C653-L671 HydrophobicContact CB-CD2 3.95Å; C653-L671 HydrophobicContact CB-CG 4.1Å; C653-L671 WeakPolarHBondContact CB-O 3.49Å; C653-L671 PolarHBondContact N-O 3.37Å
654G88.6Confident81.1Confident30 Ų3049.6 Ų49.631%0.30928%0.279SS..  trans96.1168.3172.400000115.1D652 E656 A658D652-G654 VanDerWaalsContact C-N 3.27Å; D652-G654 PolarHBondContact O-N 3.43Å; D652-G654 PolarHBondContact OD1-N 3.25Å; G654-E656 PolarHBondContact O-N 3.01Å; G654-A658 PolarHBondContact O-N 3.26Å
655D90.2Very high83.4Confident114 Ų11446.1 Ų46.161%0.6126%0.255SS*.Hα-helixtrans-73.4-26.7-170.7-67.9-27.9000113.8A658 S659 R670D655-A658 PolarHBondContact O-N 2.96Å; D655-S659 WeakPolarHBondContact O-CB 3.46Å; D655-S659 PolarHBondContact O-N 3.24Å; D655-R670 IonicContact OD1-CZ 3.51Å; D655-R670 VanDerWaalsContact OD1-CZ 3.27Å; D655-R670 IonicContact OD1-NH1 3.9Å; D655-R670 PolarHBondContact OD1-NH1 3.49Å; D655-R670 IonicContact OD1-NH2 3.87Å; D655-R670 PolarHBondContact OD1-NH2 3.44Å
656E93.7Very high85.6Confident139 Ų13946.5 Ų46.565%0.6526%0.259SS*.Hα-helixtrans-64.5-50.1177.4-169.4-176.2176.200111.2V622 G654 A658 S659 W660V622-E656 HydrophobicContact CG2-CG 3.87Å; G654-E656 PolarHBondContact O-N 3.01Å; E656-A658 VanDerWaalsContact C-N 3.29Å; E656-A658 PolarHBondContact O-N 3Å; E656-S659 PolarHBondContact O-N 3.47Å; E656-W660 WeakPolarHBondContact O-CB 3.4Å; E656-W660 PolarHBondContact O-N 3.41Å
657A93.3Very high87.7Confident2 Ų247.7 Ų47.72%0.01726%0.263CS..Hα-helixtrans-63.9-36.3174.800000111.8V624 L661 L671V624-A657 HydrophobicContact CG2-CB 3.93Å; A657-L661 WeakPolarHBondContact O-CB 3.29Å; A657-L661 VanDerWaalsContact O-CG 3.3Å; A657-L661 WeakPolarHBondContact O-CG 3.37Å; A657-L661 PolarHBondContact O-N 3.18Å; A657-L671 HydrophobicContact CB-CB 4.22Å; A657-L671 HydrophobicContact CB-CD2 4.39Å
658A93.3Very high89.3Confident6 Ų643.2 Ų43.25%0.0526%0.257CS..Hα-helixtrans-64.8-45.9176.500000112.4G654 D655 E656 S662 C669 R670G654-A658 PolarHBondContact O-N 3.26Å; D655-A658 PolarHBondContact O-N 2.96Å; E656-A658 VanDerWaalsContact C-N 3.29Å; E656-A658 PolarHBondContact O-N 3Å; A658-S662 VanDerWaalsContact O-CB 3.27Å; A658-S662 WeakPolarHBondContact O-CB 3.24Å; A658-S662 PolarHBondContact O-N 3.03Å; A658-S662 PolarHBondContact O-OG 2.95Å; A658-C669 WeakPolarHBondContact CA-O 3.45Å; A658-C669 WeakPolarHBondContact CB-O 3.36Å; A658-R670 HydrophobicContact CB-CB 4.35Å; A658-R670 HydrophobicContact CB-CG 3.94Å
659S95.4Very high90.7Very high64 Ų6443.1 Ų43.145%0.44826%0.257SS..Hα-helixtrans-61.1-50.9176.4-165.10000110.2D655 E656 L661 S662 D663D655-S659 WeakPolarHBondContact O-CB 3.46Å; D655-S659 PolarHBondContact O-N 3.24Å; E656-S659 PolarHBondContact O-N 3.47Å; S659-L661 VanDerWaalsContact C-N 3.32Å; S659-L661 PolarHBondContact O-N 2.79Å; S659-S662 PolarHBondContact O-N 3.41Å; S659-D663 WeakPolarHBondContact O-CB 3.41Å; S659-D663 PolarHBondContact O-N 3.23Å; S659-D663 PolarHBondContact OG-OD2 3.21Å
660W97.3Very high91.7Very high20 Ų2043.8 Ų43.88%0.07626%0.257CS..Hα-helixtrans-55.4-45.9-179.6-171.994.8000112.8I601 L614 A616 M619 E620 V622 E656 F664I601-W660 HydrophobicContact CD1-CZ3 4.31Å; I601-W660 HydrophobicContact CG1-CH2 4.41Å; I601-W660 HydrophobicContact CG1-CZ3 4.26Å; I601-W660 HydrophobicContact CG2-CH2 4.02Å; I601-W660 HydrophobicContact CG2-CZ3 3.93Å; L614-W660 HydrophobicContact CB-CE3 4.4Å; L614-W660 HydrophobicContact CB-CH2 4.02Å; L614-W660 HydrophobicContact CB-CZ2 4.39Å; L614-W660 HydrophobicContact CB-CZ3 4.02Å; L614-W660 HydrophobicContact CD1-CE3 4.34Å; L614-W660 HydrophobicContact CD1-CZ3 4.37Å; A616-W660 HydrophobicContact CB-CH2 3.73Å; A616-W660 HydrophobicContact CB-CZ2 3.94Å; M619-W660 HydrophobicContact CB-CZ2 3.84Å; M619-W660 HydrophobicContact CE-CD2 4.16Å; M619-W660 HydrophobicContact CE-CG 4.03Å; M619-W660 WeakPolarHBondContact CE-O 3.39Å; M619-W660 HydrophobicContact CG-CZ2 4.3Å; E620-W660 PolarHBondContact O-NE1 3.37Å; V622-W660 HydrophobicContact CB-CB 4.3Å; V622-W660 HydrophobicContact CB-CG 3.96Å; V622-W660 HydrophobicContact CG1-CB 3.92Å; V622-W660 HydrophobicContact CG1-CD2 3.58Å; V622-W660 HydrophobicContact CG1-CE3 4.12Å; V622-W660 HydrophobicContact CG1-CG 3.45Å; V622-W660 VanDerWaalsContact CG1-CG 3.45Å; E656-W660 WeakPolarHBondContact O-CB 3.4Å; E656-W660 PolarHBondContact O-N 3.41Å; W660-F664 WeakPolarHBondContact O-CB 3.28Å; W660-F664 PolarHBondContact O-N 2.89Å
661L96.5Very high92.5Very high0 Ų043.9 Ų43.90%026%0.257CS..Hα-helixtrans-67.9-38.4177-74.1169.5000112.4V582 I601 A657 S659 L665 C669 L671V582-L661 HydrophobicContact CG1-CD1 4.15Å; V582-L661 HydrophobicContact CG2-CD1 3.95Å; V582-L661 HydrophobicContact CG2-CD2 4.07Å; I601-L661 HydrophobicContact CD1-CD2 3.68Å; A657-L661 WeakPolarHBondContact O-CB 3.29Å; A657-L661 VanDerWaalsContact O-CG 3.3Å; A657-L661 WeakPolarHBondContact O-CG 3.37Å; A657-L661 PolarHBondContact O-N 3.18Å; S659-L661 VanDerWaalsContact C-N 3.32Å; S659-L661 PolarHBondContact O-N 2.79Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.31Å; L661-L665 PolarHBondContact O-N 2.99Å; L661-C669 HydrophobicContact CB-CB 4.04Å; L661-L671 HydrophobicContact CD1-CB 3.66Å; L661-L671 HydrophobicContact CD1-CD1 4.28Å
662S95.6Very high92.9Very high25 Ų2543.1 Ų43.118%0.17525%0.254CS..Hα-helixtrans-66.8-43.2-179.6-60.70000111.5A658 S659 G666 Q667 C669A658-S662 VanDerWaalsContact O-CB 3.27Å; A658-S662 WeakPolarHBondContact O-CB 3.24Å; A658-S662 PolarHBondContact O-N 3.03Å; A658-S662 PolarHBondContact O-OG 2.95Å; S659-S662 PolarHBondContact O-N 3.41Å; S662-G666 WeakPolarHBondContact O-CA 3.36Å; S662-G666 PolarHBondContact O-N 3.03Å; S662-Q667 VanDerWaalsContact CA-O 3.28Å; S662-Q667 WeakPolarHBondContact CA-O 3.33Å; S662-Q667 PolarHBondContact O-N 3.2Å; S662-C669 PolarHBondContact OG-N 3.05Å; S662-C669 PolarHBondContact OG-O 2.84Å
663D96.1Very high92.9Very high109 Ų10942.6 Ų42.658%0.58325%0.249SC*.Hα-helixtrans-64.6-46.9177.3-65.3-27.9000110.5M619 S659M619-D663 HydrophobicContact CE-CB 4.15Å; S659-D663 WeakPolarHBondContact O-CB 3.41Å; S659-D663 PolarHBondContact O-N 3.23Å; S659-D663 PolarHBondContact OG-OD2 3.21Å
664F95.9Very high92.6Very high16 Ų1642 Ų427%0.0724%0.243CC..Hα-helixtrans-62.3-51.6176.9-175.7-107000111R597 L600 I601 A616 M619 W660 G666R597-F664 HydrophobicContact CB-CE1 4.26Å; R597-F664 PolarHBondContact NH1-O 3.03Å; R597-F664 PolarHBondContact NH2-O 3.15Å; L600-F664 HydrophobicContact CB-CE1 4.44Å; L600-F664 HydrophobicContact CB-CZ 3.96Å; L600-F664 HydrophobicContact CD1-CZ 4.5Å; I601-F664 HydrophobicContact CD1-CD1 3.94Å; I601-F664 HydrophobicContact CD1-CE1 4.18Å; I601-F664 HydrophobicContact CG1-CD1 3.75Å; I601-F664 HydrophobicContact CG1-CE1 3.61Å; A616-F664 HydrophobicContact CB-CD2 3.79Å; A616-F664 HydrophobicContact CB-CE1 4.43Å; A616-F664 HydrophobicContact CB-CE2 3.5Å; A616-F664 HydrophobicContact CB-CG 4.38Å; A616-F664 HydrophobicContact CB-CZ 3.86Å; M619-F664 HydrophobicContact CE-CB 4.19Å; M619-F664 HydrophobicContact CG-CB 4.44Å; M619-F664 HydrophobicContact CG-CD2 3.74Å; M619-F664 HydrophobicContact CG-CG 4.49Å; M619-F664 HydrophobicContact SD-CB 4.38Å; M619-F664 HydrophobicContact SD-CD2 4.4Å; W660-F664 WeakPolarHBondContact O-CB 3.28Å; W660-F664 PolarHBondContact O-N 2.89Å; F664-G666 VanDerWaalsContact C-N 3.35Å; F664-G666 PolarHBondContact O-N 3.26Å
665L94.1Very high91.8Very high7 Ų744.1 Ų44.14%0.03724%0.242CC..Hα-helixtrans-80-13.1-173.2-63174.4000114.1V582 L590 E595 R597 L598 I601 L661 Q667 C669V582-L665 HydrophobicContact CG1-CD1 4.22Å; L590-L665 HydrophobicContact CD1-CD1 4.17Å; E595-L665 HydrophobicContact CG-CD2 3.83Å; R597-L665 HydrophobicContact CB-CD2 4.01Å; R597-L665 PolarHBondContact NH1-O 3.11Å; L598-L665 HydrophobicContact CD2-CD1 3.81Å; L598-L665 HydrophobicContact CD2-CD2 4.28Å; I601-L665 HydrophobicContact CD1-CD2 4.47Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.31Å; L661-L665 PolarHBondContact O-N 2.99Å; L665-Q667 VanDerWaalsContact C-N 3.28Å; L665-Q667 HydrophobicContact CB-CG 4.27Å; L665-Q667 PolarHBondContact O-N 3.39Å; L665-C669 HydrophobicContact CD1-CB 4.46Å
666G92.6Very high90.4Very high68 Ų6842.9 Ų42.970%0.70124%0.24SC*.THydrogen-bonded Turntrans71.720-178.500000113.9S662 F664S662-G666 WeakPolarHBondContact O-CA 3.36Å; S662-G666 PolarHBondContact O-N 3.03Å; F664-G666 VanDerWaalsContact C-N 3.35Å; F664-G666 PolarHBondContact O-N 3.26Å
667Q90.8Very high88.8Confident66 Ų6643.3 Ų43.331%0.30825%0.247SC..SBendtrans-150.9149.4178.765.2-178.2-61.100110.5E595 S662 L665 C669E595-Q667 PolarHBondContact OE2-NE2 3.03Å; E595-Q667 VanDerWaalsContact OE2-NE2 3.13Å; S662-Q667 VanDerWaalsContact CA-O 3.28Å; S662-Q667 WeakPolarHBondContact CA-O 3.33Å; S662-Q667 PolarHBondContact O-N 3.2Å; L665-Q667 VanDerWaalsContact C-N 3.28Å; L665-Q667 HydrophobicContact CB-CG 4.27Å; L665-Q667 PolarHBondContact O-N 3.39Å; Q667-C669 PolarHBondContact O-N 3.04Å; Q667-C669 VanDerWaalsContact O-N 3.11Å; Q667-C669 PolarHBondContact O-SG 3.45Å
668P91.8Very high87.1Confident85 Ų8546.3 Ų46.355%0.55226%0.258SS*.  trans-58.4117.1179.3-2534.6000112.6H585H585-P668 HydrophobicContact CB-CB 4.3Å; H585-P668 PolarHBondContact N-O 3.12Å
669C93.4Very high85.3Confident3 Ų349.6 Ų49.62%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-134.7152.3-175.7-670000111.6V582 V583 A658 L661 S662 L665 Q667V582-C669 HydrophobicContact CG1-CB 3.9Å; V583-C669 CarbonylContact O-C 3.15Å; V583-C669 VanDerWaalsContact O-CA 3.23Å; V583-C669 WeakPolarHBondContact O-CA 3.31Å; A658-C669 WeakPolarHBondContact CA-O 3.45Å; A658-C669 WeakPolarHBondContact CB-O 3.36Å; L661-C669 HydrophobicContact CB-CB 4.04Å; S662-C669 PolarHBondContact OG-N 3.05Å; S662-C669 PolarHBondContact OG-O 2.84Å; L665-C669 HydrophobicContact CD1-CB 4.46Å; Q667-C669 PolarHBondContact O-N 3.04Å; Q667-C669 VanDerWaalsContact O-N 3.11Å; Q667-C669 PolarHBondContact O-SG 3.45Å
670R93.4Very high83.7Confident81 Ų8147.9 Ų47.931%0.30626%0.261SS..EExtended strand (participates in β ladder)trans-133.1148170.3-57.2-167.368.196.1-0.8110.9V582 V583 D652 D655 A658V582-R670 WeakPolarHBondContact CA-O 3.29Å; V583-R670 HydrophobicContact CG2-CB 4.09Å; V583-R670 PolarHBondContact N-O 2.86Å; V583-R670 PolarHBondContact O-N 2.97Å; D652-R670 IonicContact OD1-CZ 3.1Å; D652-R670 IonicContact OD1-NE 3.23Å; D652-R670 PolarHBondContact OD1-NE 3.41Å; D652-R670 IonicContact OD1-NH2 2.77Å; D652-R670 PolarHBondContact OD1-NH2 3.08Å; D652-R670 IonicContact OD2-CZ 2.83Å; D652-R670 VanDerWaalsContact OD2-CZ 3.23Å; D652-R670 IonicContact OD2-NE 2.81Å; D652-R670 PolarHBondContact OD2-NE 3.08Å; D652-R670 IonicContact OD2-NH2 3.27Å; D652-R670 PolarHBondContact OD2-NH2 3.26Å; D652-R670 VanDerWaalsContact OD2-NH2 3.1Å; D655-R670 IonicContact OD1-CZ 3.51Å; D655-R670 VanDerWaalsContact OD1-CZ 3.27Å; D655-R670 IonicContact OD1-NH1 3.9Å; D655-R670 PolarHBondContact OD1-NH1 3.49Å; D655-R670 IonicContact OD1-NH2 3.87Å; D655-R670 PolarHBondContact OD1-NH2 3.44Å; A658-R670 HydrophobicContact CB-CB 4.35Å; A658-R670 HydrophobicContact CB-CG 3.94Å
671L93.5Very high81.7Confident1 Ų153.2 Ų53.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-90.8128.6170.1-172.568.1000108.7I556 W580 V582 L614 V624 C653 A657 L661I556-L671 HydrophobicContact CD1-CD1 3.73Å; I556-L671 HydrophobicContact CD1-CD2 4.45Å; I556-L671 HydrophobicContact CG1-CD1 4.15Å; I556-L671 HydrophobicContact CG2-CD1 4.06Å; W580-L671 HydrophobicContact CB-CD1 4.05Å; V582-L671 HydrophobicContact CG2-CD1 4.24Å; L614-L671 HydrophobicContact CD1-CD2 4.34Å; V624-L671 HydrophobicContact CG2-CD2 4.01Å; C653-L671 HydrophobicContact CB-CB 4Å; C653-L671 HydrophobicContact CB-CD2 3.95Å; C653-L671 HydrophobicContact CB-CG 4.1Å; C653-L671 WeakPolarHBondContact CB-O 3.49Å; C653-L671 PolarHBondContact N-O 3.37Å; A657-L671 HydrophobicContact CB-CB 4.22Å; A657-L671 HydrophobicContact CB-CD2 4.39Å; L661-L671 HydrophobicContact CD1-CB 3.66Å; L661-L671 HydrophobicContact CD1-CD1 4.28Å
672I89.9Confident79.5Confident4 Ų454.4 Ų54.42%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-125.2148.4175.560.1172.7000110.6W580 M581 V583 T650 M651W580-I672 CarbonylContact C-O 3.51Å; W580-I672 VanDerWaalsContact CA-O 3.25Å; W580-I672 WeakPolarHBondContact CA-O 3.35Å; M581-I672 HydrophobicContact CE-CD1 3.36Å; M581-I672 HydrophobicContact CE-CG1 4.07Å; M581-I672 HydrophobicContact CG-CD1 3.8Å; M581-I672 HydrophobicContact CG-CG1 3.54Å; M581-I672 PolarHBondContact N-O 3.49Å; M581-I672 WeakPolarHBondContact O-CG1 3.21Å; M581-I672 PolarHBondContact O-N 2.88Å; M581-I672 HydrophobicContact SD-CD1 4.27Å; V583-I672 HydrophobicContact CB-CD1 4.37Å; V583-I672 HydrophobicContact CG1-CD1 3.3Å; V583-I672 HydrophobicContact CG1-CG1 3.92Å; V583-I672 HydrophobicContact CG2-CD1 4.14Å; V583-I672 HydrophobicContact CG2-CG1 4.33Å; V583-I672 HydrophobicContact CG2-CG2 3.98Å; T650-I672 HydrophobicContact CG2-CD1 4.05Å; M651-I672 CarbonylContact O-C 3.58Å; M651-I672 VanDerWaalsContact O-CA 3.23Å; M651-I672 WeakPolarHBondContact O-CA 3.46Å
673R87.3Confident77.1Confident26 Ų2660 Ų6010%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-116.4142.8-177.9-172.3-171.6163.6165.56.8110.8G579 W580 L626 T650 M651G579-R673 WeakPolarHBondContact O-CA 3.38Å; W580-R673 HydrophobicContact CD2-CG 4.25Å; W580-R673 HydrophobicContact CG-CB 4.33Å; W580-R673 HydrophobicContact CG-CG 4.29Å; W580-R673 HydrophobicContact CZ2-CG 4.24Å; L626-R673 PolarHBondContact O-NH1 3.1Å; L626-R673 PolarHBondContact O-NH2 3.21Å; T650-R673 CarbonylContact C-O 3.58Å; T650-R673 WeakPolarHBondContact CA-O 3.39Å; T650-R673 WeakPolarHBondContact CB-O 3.49Å; M651-R673 PolarHBondContact N-O 2.74Å; M651-R673 PolarHBondContact O-N 2.65Å
674Q81.1Confident74.8Confident16 Ų1662.8 Ų62.88%0.07532%0.321CS..EExtended strand (participates in β ladder)trans-64.1137.6169.5-175.6173.9-4.600110.9G579 Y678 S696 L697G579-Q674 PolarHBondContact O-N 2.94Å; Q674-Y678 PolarHBondContact NE2-O 3.06Å; Q674-S696 VanDerWaalsContact OE1-C 3.29Å; Q674-L697 HydrophobicContact CB-CD1 4.28Å; Q674-L697 HydrophobicContact CB-CD2 4.08Å; Q674-L697 HydrophobicContact CB-CG 4.05Å; Q674-L697 HydrophobicContact CG-CD2 4.28Å; Q674-L697 VanDerWaalsContact OE1-N 3.09Å
675R73.3Confident72.3Confident74 Ų7468.2 Ų68.228%0.27935%0.345SS..  trans-65.1137.5173.6-69.7-16988174.56.3111E649 M651 D677 Y678E649-R675 HydrophobicContact CB-CG 4.23Å; E649-R675 PolarHBondContact O-N 3.36Å; E649-R675 WeakPolarHBondContact OE2-CD 3.3Å; E649-R675 IonicContact OE2-NH1 3.5Å; E649-R675 PolarHBondContact OE2-NH1 3.01Å; M651-R675 HydrophobicContact CG-CG 3.7Å; M651-R675 HydrophobicContact SD-CG 4.09Å; R675-D677 PolarHBondContact O-N 3.42Å; R675-Y678 PolarHBondContact O-N 2.84Å
676P61Low70Confident89 Ų8969.4 Ų69.458%0.57835%0.353SS*.THydrogen-bonded Turntrans-56.3-36.2178.2-24.733.4000113.7Y678P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.39Å
677D58.3Low67.5Low147 Ų14773 Ų7379%0.78636%0.361SS*.THydrogen-bonded Turntrans-84.9-3.1-175.5-53.4-34.2000113.9R675R675-D677 PolarHBondContact O-N 3.42Å
678Y58.7Low65.2Low66 Ų6677 Ų7726%0.25939%0.385SS..  trans-101.1109.6-177.1-175.9-92.4000111R647 V648 E649 Q674 R675 P676R647-Y678 PolarHBondContact O-OH 2.99Å; V648-Y678 HydrophobicContact CB-CE1 4.35Å; V648-Y678 HydrophobicContact CG1-CD1 3.87Å; V648-Y678 HydrophobicContact CG1-CE1 3.76Å; E649-Y678 HydrophobicContact CB-CD2 4.35Å; E649-Y678 HydrophobicContact CB-CG 4.44Å; E649-Y678 HydrophobicContact CG-CD2 4.36Å; Q674-Y678 PolarHBondContact NE2-O 3.06Å; R675-Y678 PolarHBondContact O-N 2.84Å; P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.39Å
679T55.8Low62.8Low75 Ų7574 Ų7446%0.4637%0.366SS..  trans-111.3138.5179.657.50000111.6L694T679-L694 HydrophobicContact CG2-CD1 3.95Å
680R61.7Low60.3Low27 Ų2778.2 Ų78.210%0.10240%0.402CS..EExtended strand (participates in β ladder)trans-113.7135.8178.9-171.5179.173.2118.74.2111.2D646 L695 V698 N699D646-R680 IonicContact OD2-NH1 3.72Å; D646-R680 PolarHBondContact OD2-NH1 3.36Å; R680-L695 PolarHBondContact O-N 3.37Å; R680-V698 PolarHBondContact NH2-O 3.4Å; R680-N699 PolarHBondContact NH2-O 2.99Å
681E54.3Low58Low132 Ų13281.1 Ų81.162%0.61742%0.423SS*.EExtended strand (participates in β ladder)trans-84.4152.4173.5-65.8-175.6-165.800112.8
682M51.4Low55.7Low26 Ų2682.5 Ų82.513%0.12843%0.433CS..  trans-71.1130.2177.8-159.3-178.9-163.200111.8K684 P693 L695 E700 A701 A770M682-K684 PolarHBondContact O-N 2.82Å; M682-P693 HydrophobicContact CB-CG 4.48Å; M682-P693 HydrophobicContact SD-CG 3.94Å; M682-L695 HydrophobicContact CB-CD1 3.97Å; M682-L695 HydrophobicContact CG-CD1 4.06Å; M682-E700 WeakPolarHBondContact CE-O 3.22Å; M682-A701 HydrophobicContact CE-CB 3.72Å; M682-A770 HydrophobicContact CE-CB 4.04Å
683K45.2Very low54Low143 Ų14383.4 Ų83.462%0.62244%0.44SS*.SBendtrans-67.8-12.7-177.1-74.2-175.7176.1175.40115.2D646D646-K683 VanDerWaalsContact CG-NZ 3.25Å; D646-K683 WeakPolarHBondContact OD1-CE 3.31Å; D646-K683 IonicContact OD1-NZ 3.64Å; D646-K683 PolarHBondContact OD1-NZ 3.4Å; D646-K683 WeakPolarHBondContact OD2-CE 3.44Å; D646-K683 IonicContact OD2-NZ 2.7Å; D646-K683 PolarHBondContact OD2-NZ 2.82Å
684K46.6Very low52.6Low166 Ų16685 Ų8572%0.72245%0.45SS*.SBendtrans-127.9109.2177.2-80-174.1174.4-175.60109.2M682M682-K684 PolarHBondContact O-N 2.82Å
685K44.9Very low51.4Low131 Ų13184.3 Ų84.357%0.5745%0.447SS*.  trans-72.6126.4174.5-142.4176-176.7-175.80109
686P44.4Very low50.7Low31 Ų3181.2 Ų81.220%0.20144%0.436CS..  trans-59.7143.4164.6-17.730.1000109.3D688 A689 M768P686-D688 PolarHBondContact O-N 3.01Å; P686-A689 HydrophobicContact CB-CB 4.12Å; P686-A689 HydrophobicContact CG-CB 4.11Å; P686-A689 PolarHBondContact O-N 3Å; P686-M768 HydrophobicContact CB-SD 3.91Å; P686-M768 HydrophobicContact CG-SD 4.05Å
687V41.8Very low50.4Low144 Ų14477.1 Ų77.187%0.87341%0.409SS*.THydrogen-bonded Turntrans-60.9-20.3-174.7-1790000112.3
688D40.7Very low50.2Low150 Ų15070.3 Ų70.380%0.80237%0.373SS*.THydrogen-bonded Turntrans-12115.1-173.2-58-43.6000115.1P686P686-D688 PolarHBondContact O-N 3.01Å
689A43.2Very low50.1Low21 Ų2170 Ų7017%0.17438%0.376CS..  trans-99.1120.4178.500000112.2P686 M768P686-A689 HydrophobicContact CB-CB 4.12Å; P686-A689 HydrophobicContact CG-CB 4.11Å; P686-A689 PolarHBondContact O-N 3Å; A689-M768 HydrophobicContact CB-CE 4.32Å
690A39.3Very low50.3Low92 Ų9271.5 Ų71.576%0.7638%0.377SS*.SBendtrans-62.1-40.7177.200000112.1
691D44.7Very low50.6Low142 Ų14270.6 Ų70.676%0.75938%0.376SS*.SBendtrans-121145.6178-70-38.7000112.4
692S46.4Very low51.8Low31 Ų3164.5 Ų64.522%0.21735%0.347CS..PPolyproline II helixtrans-81.6127.2176.1-61.80000110.1
693P55Low53.6Low23 Ų2363.3 Ų63.315%0.14934%0.342CS..PPolyproline II helixtrans-66.6140.6178.426-32.4000111.5M682M682-P693 HydrophobicContact CB-CG 4.48Å; M682-P693 HydrophobicContact SD-CG 3.94Å
694L56.8Low55.9Low59 Ų5957.1 Ų57.131%0.30932%0.315SS..EExtended strand (participates in β ladder)trans-78141.3177.1-61.6176.5000110.8L572 T679 Q702L572-L694 HydrophobicContact CD2-CB 3.52Å; T679-L694 HydrophobicContact CG2-CD1 3.95Å; L694-Q702 PolarHBondContact O-NE2 2.86Å
695L55.2Low58.2Low2 Ų249.2 Ų49.21%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-120.2137.8-174.5-62.1178.3000111.9R680 M682 V698 Q702R680-L695 PolarHBondContact O-N 3.37Å; M682-L695 HydrophobicContact CB-CD1 3.97Å; M682-L695 HydrophobicContact CG-CD1 4.06Å; L695-V698 HydrophobicContact CB-CG2 3.64Å; L695-V698 HydrophobicContact CD1-CG2 4.43Å; L695-V698 HydrophobicContact CD2-CG2 3.68Å; L695-V698 HydrophobicContact CG-CG2 4.1Å; L695-Q702 HydrophobicContact CD2-CG 3.84Å
696S58.7Low60.6Low8 Ų843 Ų436%0.05625%0.254CS..SBendtrans-75.5-157.9162.471.70000111.3D577 Q674 V698D577-S696 PolarHBondContact O-OG 2.71Å; D577-S696 VanDerWaalsContact O-OG 3.08Å; Q674-S696 VanDerWaalsContact OE1-C 3.29Å; S696-V698 PolarHBondContact O-N 2.91Å
697L55.8Low63.1Low4 Ų441.5 Ų41.52%0.02124%0.244CC..SBendtrans-67.915173.1-48.3174.3000113.8K557 R578 M581 V643 V648 Q674K557-L697 PolarHBondContact NZ-O 3.09Å; R578-L697 HydrophobicContact CB-CB 4.43Å; R578-L697 VanDerWaalsContact O-CB 3.25Å; R578-L697 WeakPolarHBondContact O-CB 3.5Å; R578-L697 WeakPolarHBondContact O-CG 3.33Å; R578-L697 PolarHBondContact O-N 3.37Å; M581-L697 HydrophobicContact CB-CD1 4.32Å; M581-L697 HydrophobicContact CE-CD1 4.37Å; M581-L697 HydrophobicContact CE-CD2 4.48Å; M581-L697 HydrophobicContact CG-CD1 4.09Å; M581-L697 HydrophobicContact SD-CD1 4.22Å; V643-L697 HydrophobicContact CG2-CD2 4.17Å; V648-L697 HydrophobicContact CG1-CD2 3.78Å; V648-L697 HydrophobicContact CG2-CD2 4.46Å; Q674-L697 HydrophobicContact CB-CD1 4.28Å; Q674-L697 HydrophobicContact CB-CD2 4.08Å; Q674-L697 HydrophobicContact CB-CG 4.05Å; Q674-L697 HydrophobicContact CG-CD2 4.28Å; Q674-L697 VanDerWaalsContact OE1-N 3.09Å
698V53.3Low65.6Low3 Ų338.2 Ų38.22%0.01822%0.216CC..  trans-56.9147.9166.4-69.50000111.4R578 R680 L695 S696 A701R578-V698 HydrophobicContact CB-CG1 4.46Å; R578-V698 HydrophobicContact CG-CG1 4.43Å; R680-V698 PolarHBondContact NH2-O 3.4Å; L695-V698 HydrophobicContact CB-CG2 3.64Å; L695-V698 HydrophobicContact CD1-CG2 4.43Å; L695-V698 HydrophobicContact CD2-CG2 3.68Å; L695-V698 HydrophobicContact CG-CG2 4.1Å; S696-V698 PolarHBondContact O-N 2.91Å; V698-A701 WeakPolarHBondContact CB-O 3.1Å
699N57.9Low68.1Low61 Ų6132 Ų3233%0.32619%0.185SC..SBendtrans-76.5-54.3-177.3-69.4-19.7000111.8K557 R680K557-N699 PolarHBondContact NZ-OD1 3.2Å; R680-N699 PolarHBondContact NH2-O 2.99Å
700E58.6Low70.5Confident105 Ų10531 Ų3149%0.49118%0.177SC..SBendtrans-126.2-39.7-167-69.6-178.1-166.500113.7M682 Y809M682-E700 WeakPolarHBondContact CE-O 3.22Å; E700-Y809 HydrophobicContact CB-CE1 4.18Å; E700-Y809 HydrophobicContact CB-CE2 3.86Å; E700-Y809 WeakPolarHBondContact OE2-CE2 3.37Å; E700-Y809 PolarHBondContact OE2-OH 3.49Å
701A69.4Low73.1Confident8 Ų826.6 Ų26.67%0.06614%0.141CC..  trans-148.3168.1179.600000112.6M682 V698 Y809M682-A701 HydrophobicContact CE-CB 3.72Å; V698-A701 WeakPolarHBondContact CB-O 3.1Å; A701-Y809 HydrophobicContact CB-CD1 3.62Å; A701-Y809 HydrophobicContact CB-CD2 4.49Å; A701-Y809 HydrophobicContact CB-CE1 4.46Å; A701-Y809 HydrophobicContact CB-CG 3.64Å
702Q78.1Confident75.3Confident5 Ų521.8 Ų21.82%0.02312%0.121CC..SBendtrans-66.4-37.9-177.7-66.3179.5-39.200112.8P571 L694 L695P571-Q702 PolarHBondContact O-NE2 3.36Å; L694-Q702 PolarHBondContact O-NE2 2.86Å; L695-Q702 HydrophobicContact CD2-CG 3.84Å
703Y88.8Confident77.4Confident1 Ų122.4 Ų22.40%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-135.2149.9179-46.6-102.2000111.2V569 G573 L574 L744 F767 Y809 L810 H812V569-Y703 WeakPolarHBondContact CG1-OH 3.37Å; G573-Y703 VanDerWaalsContact CA-CZ 3.48Å; G573-Y703 VanDerWaalsContact CA-OH 3.24Å; G573-Y703 WeakPolarHBondContact CA-OH 3.37Å; G573-Y703 PolarHBondContact O-OH 2.91Å; L574-Y703 HydrophobicContact CD2-CE1 3.96Å; L574-Y703 HydrophobicContact CG-CD1 4.1Å; L574-Y703 HydrophobicContact CG-CE1 3.7Å; Y703-L744 HydrophobicContact CD1-CD1 4.4Å; Y703-F767 HydrophobicContact CD2-CD1 4.35Å; Y703-F767 HydrophobicContact CD2-CE1 4.06Å; Y703-F767 HydrophobicContact CE1-CE1 4.39Å; Y703-F767 HydrophobicContact CE2-CD1 4.38Å; Y703-F767 AromaticContact CE2-CE1 3.82Å; Y703-F767 HydrophobicContact CE2-CE1 3.82Å; Y703-F767 AromaticContact CZ-CE1 3.98Å; Y703-Y809 WeakPolarHBondContact O-CA 3.48Å; Y703-L810 HydrophobicContact CD2-CB 4.46Å; Y703-L810 PolarHBondContact N-O 3.46Å; Y703-L810 PolarHBondContact O-N 2.9Å; Y703-H812 HydrophobicContact CE2-CB 4Å
704L93.8Very high79.1Confident13 Ų1321.3 Ų21.37%0.06811%0.114CC..EExtended strand (participates in β ladder)trans-115.8124.1166.3173.561.6000109.4F740 A742 N743 L744 C773 Y809L704-F740 WeakPolarHBondContact CD2-O 3.32Å; L704-A742 HydrophobicContact CD2-CB 4.32Å; L704-A742 HydrophobicContact CG-CB 4.12Å; L704-N743 PolarHBondContact N-OD1 2.87Å; L704-N743 VanDerWaalsContact N-OD1 3.16Å; L704-N743 PolarHBondContact O-N 3.36Å; L704-L744 PolarHBondContact O-N 2.96Å; L704-L744 VanDerWaalsContact O-N 3.07Å; L704-C773 HydrophobicContact CD1-CB 3.53Å; L704-Y809 HydrophobicContact CD1-CD1 4.31Å; L704-Y809 HydrophobicContact CD1-CE1 4.31Å
705M95.4Very high80.7Confident0 Ų020.1 Ų20.10%011%0.107CC..EExtended strand (participates in β ladder)trans-109.9139.5175.4-174.7-179.569.900111L744 I746 E754 W757 L760 G807 V808 L810M705-L744 VanDerWaalsContact CA-O 3.3Å; M705-L744 WeakPolarHBondContact CA-O 3.35Å; M705-L744 HydrophobicContact CB-CB 4.31Å; M705-L744 HydrophobicContact CG-CB 4.2Å; M705-I746 HydrophobicContact CE-CD1 4.21Å; M705-I746 HydrophobicContact CG-CG2 3.95Å; M705-I746 HydrophobicContact SD-CD1 4.08Å; M705-I746 HydrophobicContact SD-CG1 4.5Å; M705-I746 HydrophobicContact SD-CG2 3.67Å; M705-E754 HydrophobicContact CE-CB 4.15Å; M705-W757 HydrophobicContact CE-CE3 3.81Å; M705-W757 HydrophobicContact CE-CZ3 3.61Å; M705-W757 HydrophobicContact SD-CZ3 4.47Å; M705-L760 HydrophobicContact CE-CD1 4.1Å; M705-L760 HydrophobicContact SD-CD1 3.73Å; M705-G807 CarbonylContact O-C 3.5Å; M705-G807 WeakPolarHBondContact O-CA 3.11Å; M705-V808 HydrophobicContact CB-CG2 4.29Å; M705-V808 HydrophobicContact CE-CG2 3.56Å; M705-V808 PolarHBondContact N-O 2.93Å; M705-V808 PolarHBondContact O-N 2.81Å; M705-L810 HydrophobicContact CB-CD1 3.83Å; M705-L810 HydrophobicContact CB-CG 4.13Å; M705-L810 HydrophobicContact CE-CD2 4.38Å; M705-L810 HydrophobicContact CG-CD1 4.48Å; M705-L810 HydrophobicContact SD-CD1 4.01Å
706I96.1Very high82.2Confident0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-130.7152.5171.864.8176.2000111.1V711 I737 F740 A742 L744 V745 I746 F806I706-V711 HydrophobicContact CD1-CG2 4.1Å; I706-I737 HydrophobicContact CD1-CG2 4.27Å; I706-F740 HydrophobicContact CD1-CB 4.06Å; I706-F740 HydrophobicContact CD1-CD2 4.47Å; I706-F740 HydrophobicContact CG2-CB 4.42Å; I706-A742 HydrophobicContact CB-CB 4.21Å; I706-A742 HydrophobicContact CD1-CB 3.74Å; I706-A742 HydrophobicContact CG1-CB 3.59Å; I706-A742 HydrophobicContact CG2-CB 3.8Å; I706-L744 PolarHBondContact N-O 3.07Å; I706-V745 HydrophobicContact CD1-CG2 4.1Å; I706-V745 HydrophobicContact CG1-CB 4.43Å; I706-V745 HydrophobicContact CG1-CG1 4.28Å; I706-V745 HydrophobicContact CG1-CG2 3.88Å; I706-V745 WeakPolarHBondContact O-CA 3.43Å; I706-I746 PolarHBondContact O-N 3.18Å; I706-F806 HydrophobicContact CB-CD1 4.43Å; I706-F806 HydrophobicContact CB-CE1 3.84Å; I706-F806 HydrophobicContact CD1-CE1 4.37Å; I706-F806 HydrophobicContact CG2-CD1 3.75Å; I706-F806 HydrophobicContact CG2-CE1 3.64Å
707N95.2Very high83.5Confident0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-101.4133.4176.7179.21.2000111.1A709 S710 V711 I746 G748 E750 E754N707-A709 VanDerWaalsContact C-N 3.28Å; N707-A709 PolarHBondContact O-N 3.11Å; N707-A709 PolarHBondContact OD1-N 2.9Å; N707-S710 WeakPolarHBondContact O-CB 3.35Å; N707-S710 PolarHBondContact O-N 3.28Å; N707-V711 PolarHBondContact O-N 2.64Å; N707-V711 VanDerWaalsContact O-N 3.12Å; N707-I746 HydrophobicContact CB-CD1 4.37Å; N707-I746 HydrophobicContact CB-CG1 4.03Å; N707-G748 WeakPolarHBondContact OD1-CA 3.47Å; N707-G748 PolarHBondContact OD1-N 3.05Å; N707-E750 PolarHBondContact ND2-O 3.41Å; N707-E754 VanDerWaalsContact CB-CD 3.5Å; N707-E754 WeakPolarHBondContact CB-OE1 3.39Å; N707-E754 WeakPolarHBondContact CB-OE2 3.26Å; N707-E754 PolarHBondContact ND2-OE2 3.19Å; N707-E754 VanDerWaalsContact ND2-OE2 3.13Å
708R94.5Very high85Confident75 Ų7526.9 Ų26.928%0.28314%0.143SC..Hα-helixtrans-59.6-35.4176.6-76.1176.4169.4-90.2-0.1112.8T549 N550 S710 V711 A712 I737 V745 I746T549-R708 PolarHBondContact OG1-NE 3.14Å; N550-R708 PolarHBondContact OD1-NH2 2.59Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 2.93Å; R708-V711 PolarHBondContact O-N 3.46Å; R708-V711 VanDerWaalsContact O-N 3.16Å; R708-A712 PolarHBondContact O-N 3.27Å; R708-I737 HydrophobicContact CG-CD1 4.41Å; R708-V745 HydrophobicContact CG-CG1 3.65Å; R708-I746 WeakPolarHBondContact CB-O 3.46Å; R708-I746 WeakPolarHBondContact CG-O 3.42Å; R708-I746 PolarHBondContact N-O 2.83Å
709A93.1Very high86.4Confident19 Ų1928.4 Ų28.416%0.15715%0.153CC..Hα-helixtrans-62.6-41.8175.700000111.4N707 V711 A712 L713 P751N707-A709 VanDerWaalsContact C-N 3.28Å; N707-A709 PolarHBondContact O-N 3.11Å; N707-A709 PolarHBondContact OD1-N 2.9Å; A709-V711 VanDerWaalsContact C-N 3.32Å; A709-V711 PolarHBondContact O-N 3.11Å; A709-A712 PolarHBondContact O-N 2.66Å; A709-L713 PolarHBondContact O-N 2.86Å; A709-L713 VanDerWaalsContact O-N 3.13Å; A709-P751 HydrophobicContact CB-CG 4.25Å
710S94.5Very high87.3Confident0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-61.3-39.4172.9-51.30000112.1N707 R708 I714 F752 E754N707-S710 WeakPolarHBondContact O-CB 3.35Å; N707-S710 PolarHBondContact O-N 3.28Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 2.93Å; S710-I714 WeakPolarHBondContact O-CG1 3.47Å; S710-I714 PolarHBondContact O-N 3.44Å; S710-F752 PolarHBondContact OG-N 3.02Å; S710-E754 PolarHBondContact OG-OE1 2.84Å; S710-E754 PolarHBondContact OG-OE2 3.43Å
711V93.1Very high87.8Confident0 Ų030.1 Ų30.10%016%0.162CC..Hα-helixtrans-66.3-44.7177.6176.50000111.3I706 N707 R708 A709 L713 I714 Q715 T733 V736 I737 F740 F806I706-V711 HydrophobicContact CD1-CG2 4.1Å; N707-V711 PolarHBondContact O-N 2.64Å; N707-V711 VanDerWaalsContact O-N 3.12Å; R708-V711 PolarHBondContact O-N 3.46Å; R708-V711 VanDerWaalsContact O-N 3.16Å; A709-V711 VanDerWaalsContact C-N 3.32Å; A709-V711 PolarHBondContact O-N 3.11Å; V711-L713 PolarHBondContact O-N 3.02Å; V711-I714 PolarHBondContact O-N 2.95Å; V711-Q715 WeakPolarHBondContact O-CB 3.19Å; V711-Q715 PolarHBondContact O-N 2.79Å; V711-T733 HydrophobicContact CG1-CG2 4.19Å; V711-V736 HydrophobicContact CG1-CB 3.91Å; V711-V736 HydrophobicContact CG1-CG1 3.72Å; V711-I737 HydrophobicContact CG1-CG1 4.03Å; V711-I737 HydrophobicContact CG2-CG1 4.14Å; V711-F740 HydrophobicContact CG2-CD2 4.4Å; V711-F740 HydrophobicContact CG2-CE2 4.4Å; V711-F806 HydrophobicContact CB-CZ 4.42Å; V711-F806 HydrophobicContact CG2-CE1 3.99Å; V711-F806 HydrophobicContact CG2-CZ 3.62Å
712A91.6Very high87.5Confident41 Ų4133.2 Ų33.234%0.33918%0.175SC..Hα-helixtrans-59.8-45.4178.900000111.7R708 A709 I714 Q715 D716R708-A712 PolarHBondContact O-N 3.27Å; A709-A712 PolarHBondContact O-N 2.66Å; A712-I714 VanDerWaalsContact C-N 3.34Å; A712-I714 PolarHBondContact O-N 3.25Å; A712-Q715 WeakPolarHBondContact O-CB 3.25Å; A712-Q715 PolarHBondContact O-N 3.48Å; A712-Q715 VanDerWaalsContact O-N 3.13Å; A712-D716 PolarHBondContact O-N 2.92Å
713L91.4Very high86.2Confident44 Ų4440.5 Ų40.523%0.2321%0.214CC..Hα-helixtrans-58.3-43.8175.8176.163.7000112.5A709 V711 Q715 D716 L717 P751 F752 Y799A709-L713 PolarHBondContact O-N 2.86Å; A709-L713 VanDerWaalsContact O-N 3.13Å; V711-L713 PolarHBondContact O-N 3.02Å; L713-Q715 VanDerWaalsContact C-N 3.34Å; L713-D716 PolarHBondContact O-N 3.21Å; L713-L717 HydrophobicContact CG-CD1 4.47Å; L713-L717 WeakPolarHBondContact O-CG 3.5Å; L713-L717 PolarHBondContact O-N 3.29Å; L713-P751 HydrophobicContact CB-CB 4.18Å; L713-P751 HydrophobicContact CB-CG 4.19Å; L713-P751 HydrophobicContact CD2-CB 3.64Å; L713-P751 HydrophobicContact CD2-CG 4.14Å; L713-F752 HydrophobicContact CD2-CD2 4.23Å; L713-F752 HydrophobicContact CD2-CE2 3.82Å; L713-Y799 HydrophobicContact CD2-CE1 4.31Å; L713-Y799 HydrophobicContact CD2-CE2 3.87Å
714I90.6Very high84.1Confident0 Ų043.7 Ų43.70%025%0.248CC..Hα-helixtrans-66.9-38.5177.4-65.4-58.1000111.1S710 V711 A712 D716 L717 M718 F752 P792 L796 F806S710-I714 WeakPolarHBondContact O-CG1 3.47Å; S710-I714 PolarHBondContact O-N 3.44Å; V711-I714 PolarHBondContact O-N 2.95Å; A712-I714 VanDerWaalsContact C-N 3.34Å; A712-I714 PolarHBondContact O-N 3.25Å; I714-D716 VanDerWaalsContact C-N 3.34Å; I714-D716 PolarHBondContact O-N 3.48Å; I714-L717 HydrophobicContact CD1-CD1 4.12Å; I714-L717 PolarHBondContact O-N 2.86Å; I714-M718 HydrophobicContact CG2-CG 4.38Å; I714-M718 HydrophobicContact CG2-SD 3.85Å; I714-M718 WeakPolarHBondContact O-CG 3.27Å; I714-M718 PolarHBondContact O-N 3.27Å; I714-F752 HydrophobicContact CD1-CZ 4.18Å; I714-F752 HydrophobicContact CG1-CZ 4.29Å; I714-P792 HydrophobicContact CG2-CB 3.87Å; I714-L796 HydrophobicContact CD1-CD1 3.76Å; I714-L796 HydrophobicContact CG1-CD1 4.31Å; I714-F806 HydrophobicContact CG1-CD2 4.18Å; I714-F806 HydrophobicContact CG1-CE2 3.71Å
715Q89.7Confident81.4Confident33 Ų3348.4 Ų48.415%0.15428%0.28CS..Hα-helixtrans-62.1-40.2175.6-174.5-178.7-4.300112V711 A712 L713 M718 S719 L731 T733 V736V711-Q715 WeakPolarHBondContact O-CB 3.19Å; V711-Q715 PolarHBondContact O-N 2.79Å; A712-Q715 WeakPolarHBondContact O-CB 3.25Å; A712-Q715 PolarHBondContact O-N 3.48Å; A712-Q715 VanDerWaalsContact O-N 3.13Å; L713-Q715 VanDerWaalsContact C-N 3.34Å; Q715-M718 WeakPolarHBondContact O-CB 3.11Å; Q715-M718 PolarHBondContact O-N 3.07Å; Q715-S719 PolarHBondContact O-N 2.83Å; Q715-S719 PolarHBondContact O-OG 3.39Å; Q715-L731 PolarHBondContact NE2-O 3.4Å; Q715-T733 PolarHBondContact NE2-OG1 2.99Å; Q715-T733 PolarHBondContact OE1-OG1 3.16Å; Q715-V736 HydrophobicContact CG-CG2 4.45Å
716D87.3Confident78.5Confident107 Ų10758.2 Ų58.257%0.57233%0.326SS*.Hα-helixtrans-65.5-43.5175-72-13.2000111.5A712 L713 I714 M718 S719 S720A712-D716 PolarHBondContact O-N 2.92Å; L713-D716 PolarHBondContact O-N 3.21Å; I714-D716 VanDerWaalsContact C-N 3.34Å; I714-D716 PolarHBondContact O-N 3.48Å; D716-M718 VanDerWaalsContact C-N 3.32Å; D716-M718 PolarHBondContact O-N 3.14Å; D716-S719 PolarHBondContact O-N 3.36Å; D716-S720 PolarHBondContact O-N 2.76Å; D716-S720 PolarHBondContact O-OG 3.15Å
717L86.2Confident75.8Confident46 Ų4661.2 Ų61.224%0.24136%0.357CS..Hα-helixtrans-60.6-41.9175-72.4171.2000112L713 I714 S719 S720 R721 Y799L713-L717 HydrophobicContact CG-CD1 4.47Å; L713-L717 WeakPolarHBondContact O-CG 3.5Å; L713-L717 PolarHBondContact O-N 3.29Å; I714-L717 HydrophobicContact CD1-CD1 4.12Å; I714-L717 PolarHBondContact O-N 2.86Å; L717-S719 VanDerWaalsContact C-N 3.33Å; L717-S719 PolarHBondContact O-N 3.08Å; L717-S720 PolarHBondContact O-N 2.98Å; L717-S720 PolarHBondContact O-OG 3.03Å; L717-R721 WeakPolarHBondContact O-CG 3.4Å; L717-R721 PolarHBondContact O-N 2.73Å; L717-Y799 HydrophobicContact CD1-CD2 3.68Å; L717-Y799 HydrophobicContact CD1-CG 4Å
718M86Confident73.4Confident4 Ų469.9 Ų69.92%0.0240%0.397CS..Hα-helixtrans-60.8-44.2175-69.2158.859.100111.1I714 Q715 D716 R721 Q722 L731 V736 E791 P792 S795I714-M718 HydrophobicContact CG2-CG 4.38Å; I714-M718 HydrophobicContact CG2-SD 3.85Å; I714-M718 WeakPolarHBondContact O-CG 3.27Å; I714-M718 PolarHBondContact O-N 3.27Å; Q715-M718 WeakPolarHBondContact O-CB 3.11Å; Q715-M718 PolarHBondContact O-N 3.07Å; D716-M718 VanDerWaalsContact C-N 3.32Å; D716-M718 PolarHBondContact O-N 3.14Å; M718-R721 PolarHBondContact O-N 3.16Å; M718-Q722 WeakPolarHBondContact O-CG 3.38Å; M718-Q722 PolarHBondContact O-N 3.26Å; M718-L731 HydrophobicContact CE-CD1 3.4Å; M718-V736 HydrophobicContact CE-CG2 4.43Å; M718-E791 HydrophobicContact CE-CB 3.95Å; M718-E791 HydrophobicContact CG-CB 4.23Å; M718-E791 HydrophobicContact CG-CG 4.21Å; M718-P792 HydrophobicContact CE-CB 4.42Å; M718-P792 HydrophobicContact SD-CB 3.65Å; M718-S795 WeakPolarHBondContact CA-OG 3.46Å; M718-S795 VanDerWaalsContact CG-OG 3.29Å; M718-S795 WeakPolarHBondContact CG-OG 3.21Å
719S82.5Confident71.2Confident35 Ų3575 Ų7525%0.24543%0.425CS..Hα-helixtrans-65.2-44-179.5-54.20000111.3Q715 D716 L717 R721 Q722Q715-S719 PolarHBondContact O-N 2.83Å; Q715-S719 PolarHBondContact O-OG 3.39Å; D716-S719 PolarHBondContact O-N 3.36Å; L717-S719 VanDerWaalsContact C-N 3.33Å; L717-S719 PolarHBondContact O-N 3.08Å; S719-R721 PolarHBondContact O-N 3.37Å; S719-Q722 PolarHBondContact O-N 3.01Å
720S76.8Confident69.5Low73 Ų7380.7 Ų80.751%0.5145%0.451SS..Hα-helixtrans-63.9-22.9177.971.50000114.6D716 L717D716-S720 PolarHBondContact O-N 2.76Å; D716-S720 PolarHBondContact O-OG 3.15Å; L717-S720 PolarHBondContact O-N 2.98Å; L717-S720 PolarHBondContact O-OG 3.03Å
721R69.9Low68Low129 Ų12983 Ų8349%0.48746%0.463SS..Hα-helixtrans-84-17.4176.2-75176.7171.7-93.5-10.7112.8L717 M718 S719L717-R721 WeakPolarHBondContact O-CG 3.4Å; L717-R721 PolarHBondContact O-N 2.73Å; M718-R721 PolarHBondContact O-N 3.16Å; S719-R721 PolarHBondContact O-N 3.37Å
722Q63.3Low67.3Low73 Ų7389.6 Ų89.634%0.34149%0.494SS..Hα-helixtrans-90.5-7.7-172.9-75.3175.28.200114M718 S719 G724 C725M718-Q722 WeakPolarHBondContact O-CG 3.38Å; M718-Q722 PolarHBondContact O-N 3.26Å; S719-Q722 PolarHBondContact O-N 3.01Å; Q722-G724 PolarHBondContact O-N 3.42Å; Q722-C725 PolarHBondContact O-N 3.43Å
723D50.2Low67Low157 Ų15789.8 Ų89.884%0.8449%0.491SS*.THydrogen-bonded Turntrans-62.68.1177.9-80.4-22.8000115.2
724G45.6Very low66.6Low69 Ų6990.6 Ų90.671%0.71149%0.494SS*.THydrogen-bonded Turntrans-128.66.3179.700000116.5Q722Q722-G724 PolarHBondContact O-N 3.42Å
725C36.6Very low66.4Low111 Ų11191.3 Ų91.375%0.7550%0.498SS*.SBendtrans-136125.1179.8-64.20000111.2Q722 G727Q722-C725 PolarHBondContact O-N 3.43Å; C725-G727 PolarHBondContact O-N 3.48Å
726E34.3Very low66.4Low206 Ų20689.7 Ų89.796%0.96349%0.491SS*.SBendtrans-63.3123.1-177.7-66.9-169.1156.600112.5
727G39Very low66.6Low64 Ų6484.7 Ų84.766%0.6646%0.464SS*.  trans102.448.5142.800000119.5C725C725-G727 PolarHBondContact O-N 3.48Å
728H46.5Very low66.9Low181 Ų18183.8 Ų83.884%0.83846%0.462SS*.  trans-136.3139.9163.7-74.1-31.5000113.7
729Q47.4Very low67.2Low184 Ų18483.7 Ų83.786%0.8646%0.461SS*.PPolyproline II helixtrans-64.5139.1-178.8-102.5167-16.300112.1L731Q729-L731 PolarHBondContact O-N 3.36Å; Q729-L731 VanDerWaalsContact O-N 3.17Å
730L56.4Low67.7Low137 Ų13782 Ų8272%0.71745%0.45SS*.PPolyproline II helixtrans-48.5120.1169.1-76162.8000110H732L730-H732 PolarHBondContact O-N 2.94Å
731L63.9Low68.5Low48 Ų4879 Ų7925%0.25143%0.427SS..PPolyproline II helixtrans-66.3126.8178.3-72.4168.7000109.3Q715 M718 Q729 V736Q715-L731 PolarHBondContact NE2-O 3.4Å; M718-L731 HydrophobicContact CE-CD1 3.4Å; Q729-L731 PolarHBondContact O-N 3.36Å; Q729-L731 VanDerWaalsContact O-N 3.17Å; L731-V736 HydrophobicContact CB-CG2 4.07Å
732H78.9Confident69.6Low139 Ų13973 Ų7364%0.64441%0.405SS*.PPolyproline II helixtrans-63.7139.7173.1-176-109.3000110.3L730 Q734 S735 V736L730-H732 PolarHBondContact O-N 2.94Å; H732-Q734 VanDerWaalsContact ND1-CB 3.28Å; H732-Q734 WeakPolarHBondContact ND1-CB 3.42Å; H732-Q734 PolarHBondContact ND1-N 3.13Å; H732-Q734 PolarHBondContact O-N 2.99Å; H732-S735 WeakPolarHBondContact O-CA 3.42Å; H732-S735 VanDerWaalsContact O-CB 3.3Å; H732-S735 WeakPolarHBondContact O-CB 3.23Å; H732-S735 PolarHBondContact O-N 3.43Å; H732-V736 PolarHBondContact O-N 2.94Å
733T83.8Confident71.2Confident46 Ų4669.7 Ų69.728%0.28239%0.389SS..Hα-helixtrans-52.7-36.2-175.6-54.50000112.7V711 Q715 S735 V736 I737V711-T733 HydrophobicContact CG1-CG2 4.19Å; Q715-T733 PolarHBondContact NE2-OG1 2.99Å; Q715-T733 PolarHBondContact OE1-OG1 3.16Å; T733-S735 VanDerWaalsContact C-N 3.34Å; T733-S735 PolarHBondContact O-N 3.04Å; T733-V736 PolarHBondContact O-N 3.44Å; T733-I737 HydrophobicContact CG2-CD1 4.22Å; T733-I737 WeakPolarHBondContact O-CG1 3.43Å; T733-I737 PolarHBondContact O-N 3.19Å
734Q84.9Confident73.4Confident61 Ų6162.2 Ų62.229%0.28535%0.349SS..Hα-helixtrans-63.3-36.8176.8-169.562.117.700113.1Y552 H732 V736 I737 S738Y552-Q734 PolarHBondContact OH-NE2 3.39Å; H732-Q734 VanDerWaalsContact ND1-CB 3.28Å; H732-Q734 WeakPolarHBondContact ND1-CB 3.42Å; H732-Q734 PolarHBondContact ND1-N 3.13Å; H732-Q734 PolarHBondContact O-N 2.99Å; Q734-V736 VanDerWaalsContact C-N 3.32Å; Q734-V736 PolarHBondContact O-N 3.17Å; Q734-I737 PolarHBondContact O-N 3.02Å; Q734-S738 PolarHBondContact O-N 3.34Å
735S85.1Confident75.8Confident14 Ų1458.9 Ų58.910%0.09832%0.315CS..Hα-helixtrans-63.8-41.4175.2178.40000110.3H732 T733 S738 R739H732-S735 WeakPolarHBondContact O-CA 3.42Å; H732-S735 VanDerWaalsContact O-CB 3.3Å; H732-S735 WeakPolarHBondContact O-CB 3.23Å; H732-S735 PolarHBondContact O-N 3.43Å; T733-S735 VanDerWaalsContact C-N 3.34Å; T733-S735 PolarHBondContact O-N 3.04Å; S735-S738 PolarHBondContact O-N 3.07Å; S735-S738 PolarHBondContact O-OG 3.43Å; S735-R739 WeakPolarHBondContact O-CG 3.4Å; S735-R739 PolarHBondContact O-N 2.89Å
736V89.3Confident78.6Confident0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-65.5-42.4176.8-169.90000111.6V711 Q715 M718 L731 H732 T733 Q734 S738 R739 F740V711-V736 HydrophobicContact CG1-CB 3.91Å; V711-V736 HydrophobicContact CG1-CG1 3.72Å; Q715-V736 HydrophobicContact CG-CG2 4.45Å; M718-V736 HydrophobicContact CE-CG2 4.43Å; L731-V736 HydrophobicContact CB-CG2 4.07Å; H732-V736 PolarHBondContact O-N 2.94Å; T733-V736 PolarHBondContact O-N 3.44Å; Q734-V736 VanDerWaalsContact C-N 3.32Å; Q734-V736 PolarHBondContact O-N 3.17Å; V736-S738 PolarHBondContact O-N 2.88Å; V736-R739 WeakPolarHBondContact O-CB 3.09Å; V736-R739 PolarHBondContact O-N 3.46Å; V736-F740 HydrophobicContact CG1-CE2 3.85Å; V736-F740 WeakPolarHBondContact O-CD2 3.4Å
737I92.6Very high81.4Confident1 Ų145.4 Ų45.41%0.00525%0.247CC..Hα-helixtrans-56-49.5174.1-72.1170.5000110.9Y552 I706 R708 V711 T733 Q734 R739 F740 V745Y552-I737 HydrophobicContact CE2-CG2 4.18Å; I706-I737 HydrophobicContact CD1-CG2 4.27Å; R708-I737 HydrophobicContact CG-CD1 4.41Å; V711-I737 HydrophobicContact CG1-CG1 4.03Å; V711-I737 HydrophobicContact CG2-CG1 4.14Å; T733-I737 HydrophobicContact CG2-CD1 4.22Å; T733-I737 WeakPolarHBondContact O-CG1 3.43Å; T733-I737 PolarHBondContact O-N 3.19Å; Q734-I737 PolarHBondContact O-N 3.02Å; I737-R739 PolarHBondContact O-N 3.33Å; I737-F740 PolarHBondContact O-N 3.44Å; I737-F740 VanDerWaalsContact O-N 3.13Å; I737-V745 HydrophobicContact CD1-CG1 4.43Å; I737-V745 HydrophobicContact CG2-CG2 3.91Å
738S91.9Very high83.7Confident27 Ų2743.2 Ų43.219%0.18923%0.225CC..Hα-helixtrans-59.3-34.2-175.977.90000112.9Q734 S735 V736 F740 R741Q734-S738 PolarHBondContact O-N 3.34Å; S735-S738 PolarHBondContact O-N 3.07Å; S735-S738 PolarHBondContact O-OG 3.43Å; V736-S738 PolarHBondContact O-N 2.88Å; S738-F740 VanDerWaalsContact C-N 3.32Å; S738-F740 PolarHBondContact O-N 3.13Å; S738-R741 WeakPolarHBondContact O-CG 3.19Å; S738-R741 PolarHBondContact O-N 2.8Å; S738-R741 VanDerWaalsContact O-N 3.12Å
739R92.7Very high85.6Confident2 Ų236.9 Ų36.91%0.00820%0.203CC..Hα-helixtrans-64-32.7179.3-74.2167.8175.7-97.15.4113.4S735 V736 I737 R741 I779 G780 D782 T789 E791S735-R739 WeakPolarHBondContact O-CG 3.4Å; S735-R739 PolarHBondContact O-N 2.89Å; V736-R739 WeakPolarHBondContact O-CB 3.09Å; V736-R739 PolarHBondContact O-N 3.46Å; I737-R739 PolarHBondContact O-N 3.33Å; R739-R741 PolarHBondContact O-N 3.28Å; R739-I779 WeakPolarHBondContact CB-O 3.35Å; R739-I779 WeakPolarHBondContact O-CA 3.37Å; R739-G780 PolarHBondContact NH1-O 3.46Å; R739-G780 VanDerWaalsContact NH1-O 3.14Å; R739-D782 IonicContact CZ-OD2 2.65Å; R739-D782 VanDerWaalsContact NH2-CB 3.27Å; R739-D782 IonicContact NH2-OD2 3.95Å; R739-D782 PolarHBondContact NH2-OD2 2.94Å; R739-T789 PolarHBondContact NH1-OG1 3.46Å; R739-T789 PolarHBondContact NH2-OG1 3.24Å; R739-E791 PolarHBondContact NH1-O 3.17Å
740F92.4Very high87.6Confident1 Ų134.1 Ų34.10%0.00419%0.191CC..Hα-helixtrans-77.6-11.6177.6-68.3-67.9000113.3L704 I706 V711 V736 I737 S738 A742 R775 I779 P792 L796 F806L704-F740 WeakPolarHBondContact CD2-O 3.32Å; I706-F740 HydrophobicContact CD1-CB 4.06Å; I706-F740 HydrophobicContact CD1-CD2 4.47Å; I706-F740 HydrophobicContact CG2-CB 4.42Å; V711-F740 HydrophobicContact CG2-CD2 4.4Å; V711-F740 HydrophobicContact CG2-CE2 4.4Å; V736-F740 HydrophobicContact CG1-CE2 3.85Å; V736-F740 WeakPolarHBondContact O-CD2 3.4Å; I737-F740 PolarHBondContact O-N 3.44Å; I737-F740 VanDerWaalsContact O-N 3.13Å; S738-F740 VanDerWaalsContact C-N 3.32Å; S738-F740 PolarHBondContact O-N 3.13Å; F740-A742 PolarHBondContact O-N 3.06Å; F740-R775 PolarHBondContact O-NH1 3.19Å; F740-I779 HydrophobicContact CD1-CD1 4.37Å; F740-I779 HydrophobicContact CD1-CG2 4.11Å; F740-I779 HydrophobicContact CE1-CD1 3.84Å; F740-P792 HydrophobicContact CE1-CG 4.19Å; F740-P792 HydrophobicContact CE2-CG 4.44Å; F740-P792 HydrophobicContact CZ-CB 4.19Å; F740-P792 HydrophobicContact CZ-CG 3.84Å; F740-L796 HydrophobicContact CE1-CD2 4.5Å; F740-F806 HydrophobicContact CB-CD1 4.33Å; F740-F806 HydrophobicContact CB-CE1 4.42Å; F740-F806 HydrophobicContact CD1-CB 4.17Å; F740-F806 AromaticContact CD1-CD1 3.35Å; F740-F806 HydrophobicContact CD1-CD1 3.35Å; F740-F806 AromaticContact CD1-CE1 3.88Å; F740-F806 HydrophobicContact CD1-CE1 3.88Å; F740-F806 AromaticContact CD1-CG 3.85Å; F740-F806 HydrophobicContact CD1-CG 3.85Å; F740-F806 AromaticContact CD2-CD1 3.96Å; F740-F806 HydrophobicContact CD2-CD1 3.96Å; F740-F806 AromaticContact CD2-CE1 3.57Å; F740-F806 HydrophobicContact CD2-CE1 3.57Å; F740-F806 HydrophobicContact CD2-CZ 4.16Å; F740-F806 HydrophobicContact CE1-CB 3.89Å; F740-F806 AromaticContact CE1-CD1 3.46Å; F740-F806 HydrophobicContact CE1-CD1 3.46Å; F740-F806 VanDerWaalsContact CE1-CD1 3.46Å; F740-F806 HydrophobicContact CE1-CD2 4.02Å; F740-F806 AromaticContact CE1-CE1 3.94Å; F740-F806 HydrophobicContact CE1-CE1 3.94Å; F740-F806 HydrophobicContact CE1-CE2 4.47Å; F740-F806 AromaticContact CE1-CG 3.51Å; F740-F806 HydrophobicContact CE1-CG 3.51Å; F740-F806 HydrophobicContact CE1-CZ 4.43Å; F740-F806 HydrophobicContact CE2-CD1 4.03Å; F740-F806 AromaticContact CE2-CE1 3.62Å; F740-F806 HydrophobicContact CE2-CE1 3.62Å; F740-F806 HydrophobicContact CE2-CE2 4.29Å; F740-F806 AromaticContact CE2-CZ 3.78Å; F740-F806 HydrophobicContact CE2-CZ 3.78Å; F740-F806 AromaticContact CG-CD1 3.62Å; F740-F806 HydrophobicContact CG-CD1 3.62Å; F740-F806 AromaticContact CG-CE1 3.69Å; F740-F806 HydrophobicContact CG-CE1 3.69Å; F740-F806 HydrophobicContact CG-CG 4.5Å; F740-F806 AromaticContact CZ-CD1 3.81Å; F740-F806 HydrophobicContact CZ-CD1 3.81Å; F740-F806 AromaticContact CZ-CD2 3.98Å; F740-F806 HydrophobicContact CZ-CD2 3.98Å; F740-F806 AromaticContact CZ-CE1 3.82Å; F740-F806 HydrophobicContact CZ-CE1 3.82Å; F740-F806 HydrophobicContact CZ-CE2 4.01Å; F740-F806 AromaticContact CZ-CG 3.89Å; F740-F806 HydrophobicContact CZ-CG 3.89Å; F740-F806 AromaticContact CZ-CZ 3.93Å; F740-F806 HydrophobicContact CZ-CZ 3.93Å
741R93.1Very high89.3Confident9 Ų929.8 Ų29.83%0.03417%0.17CC..THydrogen-bonded Turntrans49.543.8175.1-59.5-179.959.684.61.9113.7Y554 C559 S738 R739Y554-R741 HydrophobicContact CE1-CB 4.35Å; Y554-R741 HydrophobicContact CE1-CG 4.46Å; Y554-R741 HydrophobicContact CE2-CB 4.36Å; Y554-R741 WeakPolarHBondContact OH-CA 3.32Å; C559-R741 VanDerWaalsContact O-CZ 3.22Å; C559-R741 PolarHBondContact O-NH1 2.73Å; C559-R741 PolarHBondContact O-NH2 3.38Å; S738-R741 WeakPolarHBondContact O-CG 3.19Å; S738-R741 PolarHBondContact O-N 2.8Å; S738-R741 VanDerWaalsContact O-N 3.12Å; R739-R741 PolarHBondContact O-N 3.28Å
742A94.6Very high90.6Very high2 Ų228.2 Ų28.22%0.01716%0.162CC..  trans-77.1148.4178.500000110.7Y552 L704 I706 F740 V745Y552-A742 WeakPolarHBondContact CB-O 3.14Å; Y552-A742 WeakPolarHBondContact CD2-O 3.29Å; L704-A742 HydrophobicContact CD2-CB 4.32Å; L704-A742 HydrophobicContact CG-CB 4.12Å; I706-A742 HydrophobicContact CB-CB 4.21Å; I706-A742 HydrophobicContact CD1-CB 3.74Å; I706-A742 HydrophobicContact CG1-CB 3.59Å; I706-A742 HydrophobicContact CG2-CB 3.8Å; F740-A742 PolarHBondContact O-N 3.06Å; A742-V745 HydrophobicContact CB-CG2 4.48Å
743N95.6Very high91.2Very high4 Ų422.9 Ų22.92%0.02114%0.137CC..SBendtrans-79.3-37.7170.9-63.596.9000110.8I551 Y552 L574 D577 L704I551-N743 CarbonylContact C-O 3.5Å; I551-N743 WeakPolarHBondContact CA-O 3.37Å; Y552-N743 PolarHBondContact N-O 2.81Å; Y552-N743 WeakPolarHBondContact O-CA 3.25Å; Y552-N743 PolarHBondContact O-ND2 2.82Å; L574-N743 HydrophobicContact CD1-CB 4.16Å; D577-N743 PolarHBondContact OD1-ND2 2.91Å; D577-N743 PolarHBondContact OD2-ND2 2.93Å; L704-N743 PolarHBondContact N-OD1 2.87Å; L704-N743 VanDerWaalsContact N-OD1 3.16Å; L704-N743 PolarHBondContact O-N 3.36Å
744L96.2Very high91.6Very high0 Ų020.7 Ų20.70%012%0.123CC..EExtended strand (participates in β ladder)trans-124.2131.8-175.7-55.5177.7000109.8L548 I551 Y703 L704 M705 I706 I762 L810 L824L548-L744 HydrophobicContact CD1-CB 3.98Å; L548-L744 HydrophobicContact CD1-CD2 4.13Å; I551-L744 HydrophobicContact CG1-CD2 4.17Å; I551-L744 HydrophobicContact CG2-CD2 4.36Å; Y703-L744 HydrophobicContact CD1-CD1 4.4Å; L704-L744 PolarHBondContact O-N 2.96Å; L704-L744 VanDerWaalsContact O-N 3.07Å; M705-L744 VanDerWaalsContact CA-O 3.3Å; M705-L744 WeakPolarHBondContact CA-O 3.35Å; M705-L744 HydrophobicContact CB-CB 4.31Å; M705-L744 HydrophobicContact CG-CB 4.2Å; I706-L744 PolarHBondContact N-O 3.07Å; L744-I762 HydrophobicContact CD1-CD1 3.89Å; L744-L810 HydrophobicContact CD1-CD1 4.1Å; L744-L824 HydrophobicContact CD2-CD1 4.23Å
745V96.4Very high91.9Very high0 Ų018.5 Ų18.50%011%0.114CC..EExtended strand (participates in β ladder)trans-120127175.1-176.20000109.3T549 N550 Y552 I706 R708 I737 A742T549-V745 PolarHBondContact N-O 2.94Å; T549-V745 PolarHBondContact OG1-O 3.02Å; N550-V745 HydrophobicContact CB-CB 4.09Å; N550-V745 HydrophobicContact CB-CG2 4.28Å; N550-V745 PolarHBondContact N-O 3.41Å; N550-V745 PolarHBondContact O-N 3.41Å; Y552-V745 HydrophobicContact CD2-CG2 4.2Å; Y552-V745 HydrophobicContact CE2-CG2 3.69Å; I706-V745 HydrophobicContact CD1-CG2 4.1Å; I706-V745 HydrophobicContact CG1-CB 4.43Å; I706-V745 HydrophobicContact CG1-CG1 4.28Å; I706-V745 HydrophobicContact CG1-CG2 3.88Å; I706-V745 WeakPolarHBondContact O-CA 3.43Å; R708-V745 HydrophobicContact CG-CG1 3.65Å; I737-V745 HydrophobicContact CD1-CG1 4.43Å; I737-V745 HydrophobicContact CG2-CG2 3.91Å; A742-V745 HydrophobicContact CB-CG2 4.48Å
746I95.8Very high92.1Very high0 Ų021 Ų210%013%0.126CC..EExtended strand (participates in β ladder)trans-114.7154.9-176.970.3167.6000111.7T547 L548 M705 I706 N707 R708 W757 I830T547-I746 CarbonylContact O-C 3.51Å; T547-I746 VanDerWaalsContact O-CA 3.32Å; T547-I746 WeakPolarHBondContact O-CA 3.48Å; L548-I746 HydrophobicContact CD1-CG2 4.23Å; M705-I746 HydrophobicContact CE-CD1 4.21Å; M705-I746 HydrophobicContact CG-CG2 3.95Å; M705-I746 HydrophobicContact SD-CD1 4.08Å; M705-I746 HydrophobicContact SD-CG1 4.5Å; M705-I746 HydrophobicContact SD-CG2 3.67Å; I706-I746 PolarHBondContact O-N 3.18Å; N707-I746 HydrophobicContact CB-CD1 4.37Å; N707-I746 HydrophobicContact CB-CG1 4.03Å; R708-I746 WeakPolarHBondContact CB-O 3.46Å; R708-I746 WeakPolarHBondContact CG-O 3.42Å; R708-I746 PolarHBondContact N-O 2.83Å; I746-W757 HydrophobicContact CD1-CH2 3.45Å; I746-W757 VanDerWaalsContact CD1-CH2 3.45Å; I746-W757 HydrophobicContact CD1-CZ3 3.65Å; I746-I830 HydrophobicContact CB-CD1 3.92Å; I746-I830 HydrophobicContact CG2-CD1 3.3Å
747A93.8Very high92.2Very high34 Ų3421.6 Ų21.628%0.28113%0.128SC..EExtended strand (participates in β ladder)trans-95.996.3163.700000109T547 T549T547-A747 PolarHBondContact O-N 2.89Å; T549-A747 HydrophobicContact CG2-CB 3.77Å
748G87.3Confident92Very high18 Ų1822.5 Ų22.519%0.18614%0.135CC..  trans-88165.8167.400000112.2N707 E753N707-G748 WeakPolarHBondContact OD1-CA 3.47Å; N707-G748 PolarHBondContact OD1-N 3.05Å; G748-E753 VanDerWaalsContact CA-OE1 3.22Å; G748-E753 WeakPolarHBondContact CA-OE1 3.38Å
749A84.9Confident92Very high47 Ų4723.2 Ų23.239%0.38814%0.135SC..SBendtrans-83-43.7176.200000111.4E544 E753E544-A749 WeakPolarHBondContact OE2-CB 3.36Å; A749-E753 PolarHBondContact N-OE1 2.83Å
750E90.8Very high92Very high127 Ų12723.2 Ų23.259%0.59314%0.135SC*.SBendtrans-118.3139.5-171.8-70.5-65.2151.300111.9N707 F752 E753N707-E750 PolarHBondContact ND2-O 3.41Å; E750-F752 PolarHBondContact O-N 3.2Å; E750-E753 HydrophobicContact CB-CB 4.21Å; E750-E753 PolarHBondContact N-OE1 3.28Å; E750-E753 WeakPolarHBondContact O-CG 3.46Å; E750-E753 PolarHBondContact O-N 2.89Å
751P91.8Very high91.9Very high45 Ų4525.6 Ų25.629%0.29215%0.148SC..THydrogen-bonded Turntrans-57.5130.3173.3-2434000111.9A709 L713 E753A709-P751 HydrophobicContact CB-CG 4.25Å; L713-P751 HydrophobicContact CB-CB 4.18Å; L713-P751 HydrophobicContact CB-CG 4.19Å; L713-P751 HydrophobicContact CD2-CB 3.64Å; L713-P751 HydrophobicContact CD2-CG 4.14Å; P751-E753 PolarHBondContact O-N 3.21Å
752F91.6Very high91.8Very high15 Ų1525.2 Ų25.27%0.06615%0.146CC..THydrogen-bonded Turntrans63.317.2177-54.6-66.2000116S710 L713 I714 E750 E754 D755 L796 Y799 F806S710-F752 PolarHBondContact OG-N 3.02Å; L713-F752 HydrophobicContact CD2-CD2 4.23Å; L713-F752 HydrophobicContact CD2-CE2 3.82Å; I714-F752 HydrophobicContact CD1-CZ 4.18Å; I714-F752 HydrophobicContact CG1-CZ 4.29Å; E750-F752 PolarHBondContact O-N 3.2Å; F752-E754 VanDerWaalsContact CA-OE2 3.27Å; F752-E754 WeakPolarHBondContact CA-OE2 3.39Å; F752-E754 PolarHBondContact N-OE2 3.19Å; F752-E754 PolarHBondContact O-N 2.87Å; F752-D755 VanDerWaalsContact O-CB 3.32Å; F752-D755 WeakPolarHBondContact O-CB 3.5Å; F752-D755 PolarHBondContact O-N 3.03Å; F752-D755 VanDerWaalsContact O-N 3.14Å; F752-L796 HydrophobicContact CZ-CD1 4.44Å; F752-Y799 HydrophobicContact CD2-CD1 4.48Å; F752-Y799 AromaticContact CD2-CE1 3.62Å; F752-Y799 HydrophobicContact CD2-CE1 3.62Å; F752-Y799 AromaticContact CE2-CD1 3.7Å; F752-Y799 HydrophobicContact CE2-CD1 3.7Å; F752-Y799 AromaticContact CE2-CE1 3.22Å; F752-Y799 HydrophobicContact CE2-CE1 3.22Å; F752-Y799 AromaticContact CE2-CZ 3.95Å; F752-Y799 HydrophobicContact CZ-CD1 4.24Å; F752-Y799 HydrophobicContact CZ-CE1 4.15Å; F752-F806 AromaticContact CE1-CD2 3.57Å; F752-F806 HydrophobicContact CE1-CD2 3.57Å; F752-F806 AromaticContact CE1-CE2 3.73Å; F752-F806 HydrophobicContact CE1-CE2 3.73Å; F752-F806 AromaticContact CZ-CD2 3.97Å; F752-F806 HydrophobicContact CZ-CD2 3.97Å; F752-F806 AromaticContact CZ-CE2 3.98Å; F752-F806 HydrophobicContact CZ-CE2 3.98Å
753E91.4Very high91.5Very high27 Ų2726.9 Ų26.913%0.12616%0.163CC..G310 helixtrans-59.3-29.3173.869.2-178.2127.100112.6Y546 G748 A749 E750 P751 D755 N756 W757Y546-E753 WeakPolarHBondContact CE1-OE2 3.43Å; Y546-E753 VanDerWaalsContact CZ-OE2 3.26Å; Y546-E753 PolarHBondContact OH-OE2 3.34Å; G748-E753 VanDerWaalsContact CA-OE1 3.22Å; G748-E753 WeakPolarHBondContact CA-OE1 3.38Å; A749-E753 PolarHBondContact N-OE1 2.83Å; E750-E753 HydrophobicContact CB-CB 4.21Å; E750-E753 PolarHBondContact N-OE1 3.28Å; E750-E753 WeakPolarHBondContact O-CG 3.46Å; E750-E753 PolarHBondContact O-N 2.89Å; P751-E753 PolarHBondContact O-N 3.21Å; E753-D755 PolarHBondContact O-N 3.16Å; E753-D755 VanDerWaalsContact O-N 3.13Å; E753-N756 PolarHBondContact O-N 2.86Å; E753-N756 VanDerWaalsContact O-N 3.17Å; E753-W757 HydrophobicContact CG-CZ2 3.85Å; E753-W757 PolarHBondContact O-NE1 3.19Å
754E92Very high91Very high0 Ų034.3 Ų34.30%020%0.203CC..G310 helixtrans-60.7-22178.367.6-86.5-161.500113.3M705 N707 S710 F752 N756 W757 V808M705-E754 HydrophobicContact CE-CB 4.15Å; N707-E754 VanDerWaalsContact CB-CD 3.5Å; N707-E754 WeakPolarHBondContact CB-OE1 3.39Å; N707-E754 WeakPolarHBondContact CB-OE2 3.26Å; N707-E754 PolarHBondContact ND2-OE2 3.19Å; N707-E754 VanDerWaalsContact ND2-OE2 3.13Å; S710-E754 PolarHBondContact OG-OE1 2.84Å; S710-E754 PolarHBondContact OG-OE2 3.43Å; F752-E754 VanDerWaalsContact CA-OE2 3.27Å; F752-E754 WeakPolarHBondContact CA-OE2 3.39Å; F752-E754 PolarHBondContact N-OE2 3.19Å; F752-E754 PolarHBondContact O-N 2.87Å; E754-N756 PolarHBondContact O-N 3.22Å; E754-W757 HydrophobicContact CB-CD2 4.32Å; E754-W757 HydrophobicContact CB-CE3 4.16Å; E754-W757 HydrophobicContact CB-CZ3 4.31Å; E754-W757 PolarHBondContact O-N 3.3Å; E754-V808 HydrophobicContact CB-CG1 4.43Å; E754-V808 HydrophobicContact CB-CG2 4.23Å; E754-V808 HydrophobicContact CG-CG1 4.03Å; E754-V808 HydrophobicContact CG-CG2 4.26Å
755D90.6Very high90.6Very high16 Ų1634.5 Ų34.59%0.08620%0.204CC..G310 helixtrans-64.8-18.3178.6-78.8-1.2000113.4F752 E753 R772 R800F752-D755 VanDerWaalsContact O-CB 3.32Å; F752-D755 WeakPolarHBondContact O-CB 3.5Å; F752-D755 PolarHBondContact O-N 3.03Å; F752-D755 VanDerWaalsContact O-N 3.14Å; E753-D755 PolarHBondContact O-N 3.16Å; E753-D755 VanDerWaalsContact O-N 3.13Å; D755-R772 IonicContact OD1-NE 3.79Å; D755-R772 IonicContact OD2-CZ 3.15Å; D755-R772 IonicContact OD2-NE 2.92Å; D755-R772 PolarHBondContact OD2-NE 3.37Å; D755-R772 IonicContact OD2-NH2 2.77Å; D755-R800 IonicContact OD1-NH2 3.73Å; D755-R800 IonicContact OD2-CZ 2.64Å; D755-R800 IonicContact OD2-NH1 3.84Å; D755-R800 PolarHBondContact OD2-NH1 3.03Å; D755-R800 IonicContact OD2-NH2 2.67Å; D755-R800 PolarHBondContact OD2-NH2 3.33Å
756N89.5Confident90.3Very high67 Ų6739.7 Ų39.736%0.35822%0.224SC..G310 helixtrans-107.15.3-175.4-61.5-50.7000113E753 E754 P834 H835E753-N756 PolarHBondContact O-N 2.86Å; E753-N756 VanDerWaalsContact O-N 3.17Å; E754-N756 PolarHBondContact O-N 3.22Å; N756-P834 CarbonylContact O-C 3.59Å; N756-P834 WeakPolarHBondContact O-CA 3.11Å; N756-H835 PolarHBondContact O-CD2 2.89Å; N756-H835 PolarHBondContact O-N 2.88Å
757W90.6Very high90Very high11 Ų1139.7 Ų39.74%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-85.6138179.9-61.8-6.3000110.5Y546 M705 I746 E753 E754 L760 V769 A832 H835Y546-W757 HydrophobicContact CD1-CH2 4.44Å; Y546-W757 HydrophobicContact CD1-CZ2 4.46Å; Y546-W757 HydrophobicContact CD2-CZ2 4.48Å; Y546-W757 HydrophobicContact CE1-CZ2 4.1Å; Y546-W757 HydrophobicContact CE2-CZ2 4.14Å; Y546-W757 HydrophobicContact CG-CH2 4.42Å; Y546-W757 AromaticContact CZ-CZ2 3.91Å; M705-W757 HydrophobicContact CE-CE3 3.81Å; M705-W757 HydrophobicContact CE-CZ3 3.61Å; M705-W757 HydrophobicContact SD-CZ3 4.47Å; I746-W757 HydrophobicContact CD1-CH2 3.45Å; I746-W757 VanDerWaalsContact CD1-CH2 3.45Å; I746-W757 HydrophobicContact CD1-CZ3 3.65Å; E753-W757 HydrophobicContact CG-CZ2 3.85Å; E753-W757 PolarHBondContact O-NE1 3.19Å; E754-W757 HydrophobicContact CB-CD2 4.32Å; E754-W757 HydrophobicContact CB-CE3 4.16Å; E754-W757 HydrophobicContact CB-CZ3 4.31Å; E754-W757 PolarHBondContact O-N 3.3Å; W757-L760 HydrophobicContact CZ3-CD1 4.42Å; W757-V769 HydrophobicContact CB-CG2 3.98Å; W757-V769 WeakPolarHBondContact O-CB 3.34Å; W757-V769 WeakPolarHBondContact O-CG1 3.43Å; W757-V769 WeakPolarHBondContact O-CG2 3.48Å; W757-A832 HydrophobicContact CD2-CB 3.5Å; W757-A832 VanDerWaalsContact CD2-CB 3.5Å; W757-A832 VanDerWaalsContact CE2-CB 3.48Å; W757-A832 HydrophobicContact CE3-CB 3.81Å; W757-A832 HydrophobicContact CG-CB 3.96Å; W757-A832 HydrophobicContact CH2-CB 4.07Å; W757-A832 HydrophobicContact CZ2-CB 3.79Å; W757-A832 HydrophobicContact CZ3-CB 4.08Å; W757-H835 PolarHBondContact O-NE2 3.23Å
758S88.8Confident89.9Confident20 Ų2039.2 Ų39.214%0.1422%0.216CC..EExtended strand (participates in β ladder)trans-95.5-40.8173.168.40000111.3V769 E833 P834S758-V769 PolarHBondContact O-N 3.03Å; S758-E833 PolarHBondContact N-O 3Å; S758-E833 PolarHBondContact OG-O 2.75Å; S758-P834 PolarHBondContact OG-O 3.1Å
759H91.6Very high90Very high43 Ų4339.2 Ų39.220%0.19921%0.212CC..EExtended strand (participates in β ladder)trans-141156.2-179.6-61.281.3000110F767 E833H759-F767 VanDerWaalsContact CA-O 3.3Å; H759-F767 WeakPolarHBondContact CA-O 3.5Å; H759-E833 HydrophobicContact CB-CB 4.34Å; H759-E833 PolarHBondContact N-O 3.25Å; H759-E833 PolarHBondContact O-N 3.43Å
760L92.5Very high90Very high1 Ų138.8 Ų38.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-145.9154.8167.568.4153.9000111.4M705 W757 I762 F767 V769 L810 I830 R831M705-L760 HydrophobicContact CE-CD1 4.1Å; M705-L760 HydrophobicContact SD-CD1 3.73Å; W757-L760 HydrophobicContact CZ3-CD1 4.42Å; L760-I762 HydrophobicContact CD1-CD1 3.82Å; L760-I762 HydrophobicContact CD1-CG1 3.74Å; L760-I762 HydrophobicContact CG-CG1 4.47Å; L760-F767 HydrophobicContact CD2-CB 3.83Å; L760-F767 HydrophobicContact CG-CB 4.08Å; L760-F767 HydrophobicContact CG-CD2 4.46Å; L760-F767 PolarHBondContact N-O 3.48Å; L760-F767 PolarHBondContact O-N 3.36Å; L760-V769 HydrophobicContact CD2-CG2 3.82Å; L760-L810 HydrophobicContact CD1-CD1 4.32Å; L760-L810 HydrophobicContact CD2-CD1 4.01Å; L760-L810 HydrophobicContact CD2-CD2 3.5Å; L760-L810 HydrophobicContact CD2-CG 4.37Å; L760-I830 HydrophobicContact CB-CG2 4.23Å; L760-I830 HydrophobicContact CD1-CG2 3.82Å; L760-R831 CarbonylContact C-O 3.49Å; L760-R831 VanDerWaalsContact CA-O 3.24Å; L760-R831 WeakPolarHBondContact CA-O 3.33Å
761I91.1Very high89.8Confident52 Ų5234.1 Ų34.127%0.26720%0.195SC..EExtended strand (participates in β ladder)trans-117.8125.6172.7-58171.3000107.4G763 T765 R766 I830 R831I761-G763 VanDerWaalsContact CG2-O 3.28Å; I761-G763 WeakPolarHBondContact CG2-O 3.33Å; I761-T765 CarbonylContact C-O 3.5Å; I761-T765 WeakPolarHBondContact CA-O 3.35Å; I761-R766 HydrophobicContact CG1-CG 4.27Å; I761-I830 CarbonylContact O-C 3.53Å; I761-I830 VanDerWaalsContact O-CA 3.25Å; I761-I830 WeakPolarHBondContact O-CA 3.32Å; I761-R831 HydrophobicContact CB-CB 4.46Å; I761-R831 PolarHBondContact N-O 2.63Å; I761-R831 PolarHBondContact O-N 3.15Å
762I91.1Very high89.7Confident1 Ų138 Ų381%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.6111.5174.7-52.3-177.9000107.5L548 L744 L760 D764 T765 F767 L824 I830L548-I762 HydrophobicContact CB-CG2 4.18Å; L548-I762 HydrophobicContact CD2-CG2 4Å; L744-I762 HydrophobicContact CD1-CD1 3.89Å; L760-I762 HydrophobicContact CD1-CD1 3.82Å; L760-I762 HydrophobicContact CD1-CG1 3.74Å; L760-I762 HydrophobicContact CG-CG1 4.47Å; I762-D764 PolarHBondContact O-N 3.37Å; I762-D764 VanDerWaalsContact O-N 3.12Å; I762-T765 PolarHBondContact N-O 3.06Å; I762-T765 PolarHBondContact O-N 3.19Å; I762-F767 HydrophobicContact CB-CE2 4.1Å; I762-F767 HydrophobicContact CD1-CD2 4.14Å; I762-F767 HydrophobicContact CD1-CE2 3.91Å; I762-F767 HydrophobicContact CG1-CD2 4.06Å; I762-F767 HydrophobicContact CG1-CE2 3.97Å; I762-L824 HydrophobicContact CB-CD2 4.15Å; I762-L824 HydrophobicContact CG2-CD2 4.01Å; I762-I830 HydrophobicContact CB-CG1 4.43Å; I762-I830 HydrophobicContact CD1-CD1 4.37Å; I762-I830 HydrophobicContact CG1-CD1 4.26Å; I762-I830 HydrophobicContact CG1-CG1 4.01Å; I762-I830 HydrophobicContact CG1-CG2 4.27Å; I762-I830 HydrophobicContact CG2-CG1 4.17Å
763G87.7Confident89.4Confident36 Ų3637.4 Ų37.437%0.37120%0.202SC..THydrogen-bonded Turntrans60.1-114.8-168.800000110.1I761 L829I761-G763 VanDerWaalsContact CG2-O 3.28Å; I761-G763 WeakPolarHBondContact CG2-O 3.33Å; G763-L829 PolarHBondContact N-O 3Å; G763-L829 VanDerWaalsContact N-O 3.1Å
764D85.1Confident89Confident161 Ų16138.1 Ų38.186%0.86122%0.216SC*.THydrogen-bonded Turntrans-1041.7176.5-62.5-34.8000113.5I762I762-D764 PolarHBondContact O-N 3.37Å; I762-D764 VanDerWaalsContact O-N 3.12Å
765T87.4Confident88.7Confident3 Ų339.2 Ų39.22%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-98.7127.3-173.6-52.50000111.3I761 I762 F767 H812 L824I761-T765 CarbonylContact C-O 3.5Å; I761-T765 WeakPolarHBondContact CA-O 3.35Å; I762-T765 PolarHBondContact N-O 3.06Å; I762-T765 PolarHBondContact O-N 3.19Å; T765-F767 HydrophobicContact CG2-CD2 4.43Å; T765-F767 HydrophobicContact CG2-CE1 4.21Å; T765-F767 HydrophobicContact CG2-CE2 3.55Å; T765-F767 HydrophobicContact CG2-CZ 3.4Å; T765-F767 VanDerWaalsContact CG2-CZ 3.4Å; T765-H812 VanDerWaalsContact CG2-CD2 3.4Å; T765-H812 WeakPolarHBondContact CG2-CD2 3.31Å; T765-H812 WeakPolarHBondContact CG2-NE2 3.36Å; T765-L824 HydrophobicContact CG2-CD2 4.41Å
766R90.3Very high88Confident110 Ų11040.2 Ų40.242%0.41523%0.228SC..EExtended strand (participates in β ladder)trans-97.1136.6-178.5-169.1176.5-171.7176.13112I761 H812 Q813I761-R766 HydrophobicContact CG1-CG 4.27Å; R766-H812 PolarHBondContact O-CD2 3.43Å; R766-Q813 PolarHBondContact O-N 3.25Å
767F90.7Very high87.5Confident0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-128.2142.7178.3-61-84.4000111.7Y703 H759 L760 I762 T765 L810 S811 H812 L824Y703-F767 HydrophobicContact CD2-CD1 4.35Å; Y703-F767 HydrophobicContact CD2-CE1 4.06Å; Y703-F767 HydrophobicContact CE1-CE1 4.39Å; Y703-F767 HydrophobicContact CE2-CD1 4.38Å; Y703-F767 AromaticContact CE2-CE1 3.82Å; Y703-F767 HydrophobicContact CE2-CE1 3.82Å; Y703-F767 AromaticContact CZ-CE1 3.98Å; H759-F767 VanDerWaalsContact CA-O 3.3Å; H759-F767 WeakPolarHBondContact CA-O 3.5Å; L760-F767 HydrophobicContact CD2-CB 3.83Å; L760-F767 HydrophobicContact CG-CB 4.08Å; L760-F767 HydrophobicContact CG-CD2 4.46Å; L760-F767 PolarHBondContact N-O 3.48Å; L760-F767 PolarHBondContact O-N 3.36Å; I762-F767 HydrophobicContact CB-CE2 4.1Å; I762-F767 HydrophobicContact CD1-CD2 4.14Å; I762-F767 HydrophobicContact CD1-CE2 3.91Å; I762-F767 HydrophobicContact CG1-CD2 4.06Å; I762-F767 HydrophobicContact CG1-CE2 3.97Å; T765-F767 HydrophobicContact CG2-CD2 4.43Å; T765-F767 HydrophobicContact CG2-CE1 4.21Å; T765-F767 HydrophobicContact CG2-CE2 3.55Å; T765-F767 HydrophobicContact CG2-CZ 3.4Å; T765-F767 VanDerWaalsContact CG2-CZ 3.4Å; F767-L810 HydrophobicContact CB-CB 4.22Å; F767-L810 HydrophobicContact CB-CD1 4.31Å; F767-L810 HydrophobicContact CD1-CB 4.08Å; F767-L810 HydrophobicContact CD1-CD1 4.38Å; F767-L810 HydrophobicContact CG-CB 4.41Å; F767-L810 HydrophobicContact CG-CD1 4.23Å; F767-S811 WeakPolarHBondContact CA-O 3.47Å; F767-H812 HydrophobicContact CD1-CB 4.43Å; F767-H812 HydrophobicContact CE1-CB 4.26Å; F767-L824 HydrophobicContact CE2-CD2 4.28Å; F767-L824 HydrophobicContact CZ-CD1 4.04Å; F767-L824 HydrophobicContact CZ-CD2 4.26Å
768M90.4Very high87.2Confident24 Ų2441.1 Ų41.112%0.11823%0.231CC..EExtended strand (participates in β ladder)trans-96.2137.3164.3-176.6-169.4-70.900109.4P686 A689 A770 L810 S811 Q813P686-M768 HydrophobicContact CB-SD 3.91Å; P686-M768 HydrophobicContact CG-SD 4.05Å; A689-M768 HydrophobicContact CB-CE 4.32Å; M768-A770 PolarHBondContact O-N 2.81Å; M768-L810 CarbonylContact O-C 3.51Å; M768-L810 WeakPolarHBondContact O-CA 3.31Å; M768-S811 PolarHBondContact N-O 3.03Å; M768-S811 PolarHBondContact O-N 2.83Å; M768-Q813 HydrophobicContact CB-CG 4.3Å
769V90.4Very high87.1Confident18 Ų1840.4 Ų40.411%0.10923%0.225CC..EExtended strand (participates in β ladder)trans-82.5109.3171.7-178.70000109W757 S758 L760 G771 V808 Y809 L810W757-V769 HydrophobicContact CB-CG2 3.98Å; W757-V769 WeakPolarHBondContact O-CB 3.34Å; W757-V769 WeakPolarHBondContact O-CG1 3.43Å; W757-V769 WeakPolarHBondContact O-CG2 3.48Å; S758-V769 PolarHBondContact O-N 3.03Å; L760-V769 HydrophobicContact CD2-CG2 3.82Å; V769-G771 VanDerWaalsContact C-N 3.35Å; V769-V808 HydrophobicContact CG1-CB 3.93Å; V769-V808 HydrophobicContact CG1-CG1 4.26Å; V769-V808 HydrophobicContact CG1-CG2 4.3Å; V769-Y809 CarbonylContact C-O 3.57Å; V769-L810 HydrophobicContact CB-CD2 4.44Å; V769-L810 HydrophobicContact CG2-CD2 3.81Å
770A84.9Confident86.9Confident38 Ų3838.4 Ų38.431%0.31422%0.217SC..EExtended strand (participates in β ladder)trans-81.2-15-177.200000113.4M682 M768 Y809M682-A770 HydrophobicContact CE-CB 4.04Å; M768-A770 PolarHBondContact O-N 2.81Å; A770-Y809 PolarHBondContact N-O 3.28Å
771G86.1Confident86.7Confident29 Ų2938.5 Ų38.530%0.29922%0.217SC..EExtended strand (participates in β ladder)trans137.3-179.5175.700000113.9V769 V808 Y809V769-G771 VanDerWaalsContact C-N 3.35Å; G771-V808 WeakPolarHBondContact O-CA 3.25Å; G771-Y809 PolarHBondContact O-N 3.04Å
772R89.6Confident86.6Confident125 Ų12536.9 Ų36.947%0.47221%0.209SC..EExtended strand (participates in β ladder)trans-74.6138.6-176.5-59.1179.8-172.6167.9-0.2112.1D755 G774 T805D755-R772 IonicContact OD1-NE 3.79Å; D755-R772 IonicContact OD2-CZ 3.15Å; D755-R772 IonicContact OD2-NE 2.92Å; D755-R772 PolarHBondContact OD2-NE 3.37Å; D755-R772 IonicContact OD2-NH2 2.77Å; R772-G774 PolarHBondContact O-N 3.48Å; R772-T805 HydrophobicContact CB-CG2 3.9Å
773C85.6Confident86.7Confident4 Ų437.5 Ų37.53%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-81.9115.1179.2177.10000111.5L704 R775 T805 F806 G807 Y809L704-C773 HydrophobicContact CD1-CB 3.53Å; C773-R775 VanDerWaalsContact SG-CZ 3.51Å; C773-R775 PolarHBondContact SG-NE 2.93Å; C773-R775 VanDerWaalsContact SG-NE 3.42Å; C773-T805 CarbonylContact O-C 3.59Å; C773-T805 WeakPolarHBondContact O-CA 3.38Å; C773-T805 WeakPolarHBondContact O-CB 3.42Å; C773-F806 PolarHBondContact O-N 2.88Å; C773-G807 WeakPolarHBondContact CB-O 3.29Å; C773-G807 PolarHBondContact N-O 3.2Å; C773-Y809 HydrophobicContact CB-CD1 4.25Å; C773-Y809 HydrophobicContact CB-CD2 4.33Å; C773-Y809 HydrophobicContact CB-CE1 3.79Å; C773-Y809 HydrophobicContact CB-CE2 3.91Å; C773-Y809 HydrophobicContact CB-CG 4.5Å; C773-Y809 VanDerWaalsContact SG-CE1 3.57Å; C773-Y809 PolarHBondContact SG-OH 2.88Å
774G83.1Confident86.8Confident41 Ų4140.6 Ų40.642%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-66.1134.7171.200000111.5R772R772-G774 PolarHBondContact O-N 3.48Å
775R84.9Confident87Confident23 Ų2336.8 Ų36.89%0.08720%0.203CC..  trans-111.5149.4-178.5-60.1-54.6-175.5156.95.6112.2F740 C773 I779 L793 L796 V804 F806F740-R775 PolarHBondContact O-NH1 3.19Å; C773-R775 VanDerWaalsContact SG-CZ 3.51Å; C773-R775 PolarHBondContact SG-NE 2.93Å; C773-R775 VanDerWaalsContact SG-NE 3.42Å; R775-I779 HydrophobicContact CB-CD1 4.07Å; R775-I779 HydrophobicContact CB-CG2 4.49Å; R775-I779 HydrophobicContact CG-CD1 4.5Å; R775-L793 HydrophobicContact CB-CD1 4.05Å; R775-L796 HydrophobicContact CB-CD2 4.1Å; R775-L796 HydrophobicContact CG-CD2 4.02Å; R775-V804 PolarHBondContact N-O 3.42Å; R775-F806 HydrophobicContact CG-CB 3.79Å; R775-F806 PolarHBondContact NE-O 3.09Å; R775-F806 PolarHBondContact NH2-O 2.8Å
776C77.3Confident87.1Confident38 Ų3837 Ų3726%0.25721%0.205SC..  trans-138.1179.8-178.966.50000110.2K593 M778 I779K593-C776 WeakPolarHBondContact CE-SG 3.41Å; K593-C776 PolarHBondContact NZ-SG 3.13Å; K593-C776 VanDerWaalsContact NZ-SG 3.42Å; C776-M778 PolarHBondContact O-N 2.84Å; C776-I779 PolarHBondContact O-N 2.87Å; C776-I779 VanDerWaalsContact O-N 3.11Å
777Q77.9Confident87Confident52 Ų5235.5 Ų35.524%0.24321%0.209CC..G310 helixtrans-50.1-19.2-177.5-173.5172.132.300115.7S403 L404 I779 G780S403-Q777 PolarHBondContact O-NE2 3.11Å; S403-Q777 VanDerWaalsContact O-NE2 3.12Å; L404-Q777 HydrophobicContact CD2-CB 3.81Å; L404-Q777 HydrophobicContact CD2-CG 3.68Å; Q777-I779 PolarHBondContact O-N 2.86Å; Q777-G780 WeakPolarHBondContact O-CA 3.3Å; Q777-G780 PolarHBondContact O-N 2.93Å
778M83.8Confident86.6Confident45 Ų4540.5 Ų40.522%0.22223%0.23CC..G310 helixtrans-55.4-32.9175.3-179.8168.44000113Q592 C776 G780 V781Q592-M778 HydrophobicContact CB-CG 4.43Å; C776-M778 PolarHBondContact O-N 2.84Å; M778-G780 PolarHBondContact O-N 2.81Å; M778-V781 PolarHBondContact O-N 3.15Å
779I87.9Confident86.4Confident4 Ų441.9 Ų41.92%0.02124%0.24CC..G310 helixtrans-71.3-15.4177.572.9176.5000112.9R739 F740 R775 C776 Q777 V781 P792 L793 L796R739-I779 WeakPolarHBondContact CB-O 3.35Å; R739-I779 WeakPolarHBondContact O-CA 3.37Å; F740-I779 HydrophobicContact CD1-CD1 4.37Å; F740-I779 HydrophobicContact CD1-CG2 4.11Å; F740-I779 HydrophobicContact CE1-CD1 3.84Å; R775-I779 HydrophobicContact CB-CD1 4.07Å; R775-I779 HydrophobicContact CB-CG2 4.49Å; R775-I779 HydrophobicContact CG-CD1 4.5Å; C776-I779 PolarHBondContact O-N 2.87Å; C776-I779 VanDerWaalsContact O-N 3.11Å; Q777-I779 PolarHBondContact O-N 2.86Å; I779-V781 PolarHBondContact O-N 2.96Å; I779-P792 HydrophobicContact CB-CG 4.33Å; I779-P792 HydrophobicContact CD1-CG 3.82Å; I779-P792 HydrophobicContact CG1-CG 4Å; I779-P792 WeakPolarHBondContact O-CD 3.46Å; I779-L793 HydrophobicContact CD1-CB 4.02Å; I779-L793 HydrophobicContact CD1-CD1 3.53Å; I779-L793 HydrophobicContact CD1-CG 4.39Å; I779-L793 HydrophobicContact CG1-CB 4.06Å; I779-L793 HydrophobicContact CG1-CD1 4.05Å; I779-L796 HydrophobicContact CD1-CD2 4.2Å
780G86.9Confident86Confident2 Ų245.1 Ų45.12%0.02125%0.253CS..G310 helixtrans-76.5-7.8173.800000113.6R739 Q777 M778 D782 T789R739-G780 PolarHBondContact NH1-O 3.46Å; R739-G780 VanDerWaalsContact NH1-O 3.14Å; Q777-G780 WeakPolarHBondContact O-CA 3.3Å; Q777-G780 PolarHBondContact O-N 2.93Å; M778-G780 PolarHBondContact O-N 2.81Å; G780-D782 PolarHBondContact O-N 2.76Å; G780-T789 VanDerWaalsContact CA-O 3.24Å; G780-T789 WeakPolarHBondContact CA-O 2.95Å; G780-T789 PolarHBondContact O-N 3.18Å; G780-T789 PolarHBondContact O-OG1 3.41Å
781V88.2Confident86Confident2 Ų244.5 Ų44.51%0.01224%0.243CC..BIsolated β-bridgetrans-83118.7178.1-177.10000109.4Q592 T596 M778 I779 Q783 K788Q592-V781 HydrophobicContact CB-CG2 4.46Å; T596-V781 HydrophobicContact CG2-CG1 3.94Å; T596-V781 HydrophobicContact CG2-CG2 3.83Å; M778-V781 PolarHBondContact O-N 3.15Å; I779-V781 PolarHBondContact O-N 2.96Å; V781-Q783 PolarHBondContact O-N 3.07Å; V781-Q783 PolarHBondContact O-NE2 2.91Å; V781-K788 HydrophobicContact CG2-CG 4.48Å
782D90Very high86Confident18 Ų1843.1 Ų43.110%0.09623%0.229CC..  trans-63.6117.1168.9-168.9-82.4000109.7R739 G780 D784 T785 G786 T787R739-D782 IonicContact CZ-OD2 2.65Å; R739-D782 VanDerWaalsContact NH2-CB 3.27Å; R739-D782 IonicContact NH2-OD2 3.95Å; R739-D782 PolarHBondContact NH2-OD2 2.94Å; G780-D782 PolarHBondContact O-N 2.76Å; D782-D784 VanDerWaalsContact C-N 3.25Å; D782-D784 PolarHBondContact O-N 3.18Å; D782-D784 PolarHBondContact OD1-N 3.25Å; D782-D784 VanDerWaalsContact OD1-N 3.15Å; D782-T785 VanDerWaalsContact CB-OG1 3.29Å; D782-T785 WeakPolarHBondContact CB-OG1 3.48Å; D782-T785 VanDerWaalsContact CG-OG1 3.26Å; D782-T785 PolarHBondContact OD1-N 3.37Å; D782-T785 PolarHBondContact OD1-OG1 3.06Å; D782-G786 VanDerWaalsContact O-CA 3.27Å; D782-G786 WeakPolarHBondContact O-CA 3.45Å; D782-G786 PolarHBondContact O-N 3.31Å; D782-T787 WeakPolarHBondContact CB-O 3.41Å; D782-T787 PolarHBondContact N-O 2.98Å
783Q91.9Very high85.7Confident15 Ų1537.3 Ų37.37%0.0721%0.208CC..THydrogen-bonded Turntrans-74.6-17.3-170.7-61-61.4-7500113C599 V781C599-Q783 PolarHBondContact SG-O 2.94Å; V781-Q783 PolarHBondContact O-N 3.07Å; V781-Q783 PolarHBondContact O-NE2 2.91Å
784D89.8Confident85.5Confident101 Ų10138 Ų3854%0.5421%0.211SC..THydrogen-bonded Turntrans-90.8-33.7-179.4-63.4-46.1000112.2L600 D782L600-D784 WeakPolarHBondContact CD2-O 3.48Å; D782-D784 VanDerWaalsContact C-N 3.25Å; D782-D784 PolarHBondContact O-N 3.18Å; D782-D784 PolarHBondContact OD1-N 3.25Å; D782-D784 VanDerWaalsContact OD1-N 3.15Å
785T90.5Very high85.7Confident80 Ų8036.1 Ų36.149%0.49119%0.191SC..THydrogen-bonded Turntrans-108.4-20.1-176.564.40000114.1D782 T787D782-T785 VanDerWaalsContact CB-OG1 3.29Å; D782-T785 WeakPolarHBondContact CB-OG1 3.48Å; D782-T785 VanDerWaalsContact CG-OG1 3.26Å; D782-T785 PolarHBondContact OD1-N 3.37Å; D782-T785 PolarHBondContact OD1-OG1 3.06Å; T785-T787 PolarHBondContact O-N 3.25Å; T785-T787 WeakPolarHBondContact OG1-CB 3.46Å; T785-T787 PolarHBondContact OG1-N 2.88Å; T785-T787 PolarHBondContact OG1-OG1 3.21Å
786G88.3Confident85.7Confident7 Ų735 Ų357%0.07219%0.187CC..  trans73.57.3-171.100000113.9T596 C599 D782T596-G786 WeakPolarHBondContact CB-O 3.38Å; T596-G786 PolarHBondContact OG1-O 3.02Å; C599-G786 WeakPolarHBondContact SG-CA 3.34Å; D782-G786 VanDerWaalsContact O-CA 3.27Å; D782-G786 WeakPolarHBondContact O-CA 3.45Å; D782-G786 PolarHBondContact O-N 3.31Å
787T88.1Confident85.8Confident80 Ų8033.6 Ų33.649%0.49118%0.177SC..  trans-75138179.3-50.70000110.5D782 T785D782-T787 WeakPolarHBondContact CB-O 3.41Å; D782-T787 PolarHBondContact N-O 2.98Å; T785-T787 PolarHBondContact O-N 3.25Å; T785-T787 WeakPolarHBondContact OG1-CB 3.46Å; T785-T787 PolarHBondContact OG1-N 2.88Å; T785-T787 PolarHBondContact OG1-OG1 3.21Å
788K83.9Confident85.8Confident105 Ų10533.9 Ų33.946%0.45719%0.188SC..BIsolated β-bridgetrans-84.9127174.1-66.8-176.3177.9177.20110.4K593 T596 V781K593-K788 PolarHBondContact O-NZ 2.9Å; T596-K788 HydrophobicContact CG2-CD 4.18Å; T596-K788 HydrophobicContact CG2-CG 3.76Å; V781-K788 HydrophobicContact CG2-CG 4.48Å
789T85.2Confident85.7Confident52 Ų5236.9 Ų36.932%0.31920%0.198SC..  trans-119.9157.6170.263.10000109.9R739 G780 E791R739-T789 PolarHBondContact NH1-OG1 3.46Å; R739-T789 PolarHBondContact NH2-OG1 3.24Å; G780-T789 VanDerWaalsContact CA-O 3.24Å; G780-T789 WeakPolarHBondContact CA-O 2.95Å; G780-T789 PolarHBondContact O-N 3.18Å; G780-T789 PolarHBondContact O-OG1 3.41Å; T789-E791 PolarHBondContact OG1-O 2.9Å
790K81.3Confident85.3Confident87 Ų8738.3 Ų38.338%0.37820%0.203SC..SBendtrans-77.1-32.7176.3-60.4171.7176.7173.70112Y405 E478 L793 I794Y405-K790 HydrophobicContact CE1-CD 4.08Å; Y405-K790 HydrophobicContact CE2-CD 3.86Å; Y405-K790 HydrophobicContact CE2-CG 4.43Å; Y405-K790 VanDerWaalsContact CZ-CE 3.48Å; Y405-K790 VanDerWaalsContact CZ-NZ 3.33Å; Y405-K790 PolarHBondContact OH-NZ 3.33Å; E478-K790 IonicContact OE2-NZ 3.97Å; K790-L793 PolarHBondContact O-N 2.9Å; K790-I794 HydrophobicContact CB-CD1 3.48Å; K790-I794 VanDerWaalsContact CB-CD1 3.48Å; K790-I794 HydrophobicContact CB-CG1 3.99Å; K790-I794 HydrophobicContact CD-CD1 3.94Å; K790-I794 HydrophobicContact CG-CD1 4.26Å; K790-I794 PolarHBondContact O-N 3.23Å
791E84.8Confident84.2Confident24 Ų2445 Ų4511%0.11224%0.244CC..THydrogen-bonded Turntrans-78.4150.2172.5-64.6-62171.100111.5M718 R739 T789 S795M718-E791 HydrophobicContact CE-CB 3.95Å; M718-E791 HydrophobicContact CG-CB 4.23Å; M718-E791 HydrophobicContact CG-CG 4.21Å; R739-E791 PolarHBondContact NH1-O 3.17Å; T789-E791 PolarHBondContact OG1-O 2.9Å; E791-S795 PolarHBondContact OE1-OG 3.27Å; E791-S795 VanDerWaalsContact OE2-CB 3.26Å; E791-S795 WeakPolarHBondContact OE2-CB 3.5Å; E791-S795 PolarHBondContact OE2-N 2.98Å; E791-S795 PolarHBondContact OE2-OG 3.3Å
792P86.1Confident83.2Confident0 Ų047.1 Ų47.10%027%0.266CS..THydrogen-bonded Turncis-87.15.15.234-33.9000114.6I714 M718 F740 I779 I794 S795 L796I714-P792 HydrophobicContact CG2-CB 3.87Å; M718-P792 HydrophobicContact CE-CB 4.42Å; M718-P792 HydrophobicContact SD-CB 3.65Å; F740-P792 HydrophobicContact CE1-CG 4.19Å; F740-P792 HydrophobicContact CE2-CG 4.44Å; F740-P792 HydrophobicContact CZ-CB 4.19Å; F740-P792 HydrophobicContact CZ-CG 3.84Å; I779-P792 HydrophobicContact CB-CG 4.33Å; I779-P792 HydrophobicContact CD1-CG 3.82Å; I779-P792 HydrophobicContact CG1-CG 4Å; I779-P792 WeakPolarHBondContact O-CD 3.46Å; P792-I794 PolarHBondContact O-N 3.22Å; P792-S795 PolarHBondContact O-N 3.09Å; P792-L796 WeakPolarHBondContact O-CB 3.34Å; P792-L796 PolarHBondContact O-N 3.49Å
793L85Confident82.1Confident4 Ų451.7 Ų51.72%0.02129%0.285CS..Hα-helixtrans-67.7-35-171.6-163.866.8000112.6L404 R775 I779 K790 S797 V804L404-L793 HydrophobicContact CD1-CB 3.9Å; L404-L793 HydrophobicContact CD1-CD2 3.72Å; L404-L793 HydrophobicContact CD1-CG 3.98Å; L404-L793 HydrophobicContact CD2-CB 4.16Å; L404-L793 HydrophobicContact CD2-CD2 3.45Å; L404-L793 VanDerWaalsContact CD2-CD2 3.45Å; L404-L793 HydrophobicContact CD2-CG 4.34Å; L404-L793 HydrophobicContact CG-CD2 3.72Å; R775-L793 HydrophobicContact CB-CD1 4.05Å; I779-L793 HydrophobicContact CD1-CB 4.02Å; I779-L793 HydrophobicContact CD1-CD1 3.53Å; I779-L793 HydrophobicContact CD1-CG 4.39Å; I779-L793 HydrophobicContact CG1-CB 4.06Å; I779-L793 HydrophobicContact CG1-CD1 4.05Å; K790-L793 PolarHBondContact O-N 2.9Å; L793-S797 VanDerWaalsContact O-CB 3.27Å; L793-S797 WeakPolarHBondContact O-CB 3.49Å; L793-S797 PolarHBondContact O-N 3.04Å; L793-S797 PolarHBondContact O-OG 3.02Å; L793-V804 HydrophobicContact CD1-CG1 3.66Å
794I81.5Confident81.6Confident19 Ų1951.3 Ų51.310%0.09728%0.284CS..Hα-helixtrans-60.6-56.3174-67.2-172.1000110.3M401 L404 Y405 K790 P792 L796 S797 A798M401-I794 HydrophobicContact CE-CG1 4.08Å; L404-I794 HydrophobicContact CD1-CG1 4.16Å; Y405-I794 HydrophobicContact CE2-CD1 4.01Å; K790-I794 HydrophobicContact CB-CD1 3.48Å; K790-I794 VanDerWaalsContact CB-CD1 3.48Å; K790-I794 HydrophobicContact CB-CG1 3.99Å; K790-I794 HydrophobicContact CD-CD1 3.94Å; K790-I794 HydrophobicContact CG-CD1 4.26Å; K790-I794 PolarHBondContact O-N 3.23Å; P792-I794 PolarHBondContact O-N 3.22Å; I794-L796 VanDerWaalsContact C-N 3.27Å; I794-L796 PolarHBondContact O-N 3.38Å; I794-S797 PolarHBondContact O-N 3.32Å; I794-S797 VanDerWaalsContact O-N 3.09Å; I794-S797 PolarHBondContact O-OG 3.15Å; I794-A798 PolarHBondContact O-N 3.34Å
795S85.7Confident81.5Confident1 Ų147.1 Ų47.11%0.00726%0.262CS..Hα-helixtrans-58.3-41.5-179-64.30000112M718 E791 P792 A798 Y799M718-S795 WeakPolarHBondContact CA-OG 3.46Å; M718-S795 VanDerWaalsContact CG-OG 3.29Å; M718-S795 WeakPolarHBondContact CG-OG 3.21Å; E791-S795 PolarHBondContact OE1-OG 3.27Å; E791-S795 VanDerWaalsContact OE2-CB 3.26Å; E791-S795 WeakPolarHBondContact OE2-CB 3.5Å; E791-S795 PolarHBondContact OE2-N 2.98Å; E791-S795 PolarHBondContact OE2-OG 3.3Å; P792-S795 PolarHBondContact O-N 3.09Å; S795-A798 PolarHBondContact O-N 3.21Å; S795-Y799 PolarHBondContact O-N 3.07Å; S795-Y799 VanDerWaalsContact O-N 3.1Å
796L85.8Confident81.6Confident0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-64.7-41.3176.4-171.964.7000112.6I714 F740 F752 R775 I779 P792 I794 A798 Y799 R800 V804 F806I714-L796 HydrophobicContact CD1-CD1 3.76Å; I714-L796 HydrophobicContact CG1-CD1 4.31Å; F740-L796 HydrophobicContact CE1-CD2 4.5Å; F752-L796 HydrophobicContact CZ-CD1 4.44Å; R775-L796 HydrophobicContact CB-CD2 4.1Å; R775-L796 HydrophobicContact CG-CD2 4.02Å; I779-L796 HydrophobicContact CD1-CD2 4.2Å; P792-L796 WeakPolarHBondContact O-CB 3.34Å; P792-L796 PolarHBondContact O-N 3.49Å; I794-L796 VanDerWaalsContact C-N 3.27Å; I794-L796 PolarHBondContact O-N 3.38Å; L796-A798 VanDerWaalsContact C-N 3.31Å; L796-A798 PolarHBondContact O-N 2.92Å; L796-Y799 PolarHBondContact O-N 3.36Å; L796-R800 HydrophobicContact CD1-CG 4.15Å; L796-R800 WeakPolarHBondContact O-CB 3.47Å; L796-R800 PolarHBondContact O-N 2.98Å; L796-V804 HydrophobicContact CB-CG1 4.13Å; L796-V804 HydrophobicContact CD2-CG1 3.56Å; L796-V804 HydrophobicContact CG-CG1 3.66Å; L796-F806 HydrophobicContact CD1-CB 4.12Å; L796-F806 HydrophobicContact CD1-CD2 3.73Å; L796-F806 HydrophobicContact CD1-CG 4.39Å; L796-F806 HydrophobicContact CD2-CB 3.71Å
797S79.3Confident81.8Confident8 Ų843 Ų436%0.05624%0.235CC..Hα-helixtrans-68.4-29.7178.874.20000113.2L793 I794L793-S797 VanDerWaalsContact O-CB 3.27Å; L793-S797 WeakPolarHBondContact O-CB 3.49Å; L793-S797 PolarHBondContact O-N 3.04Å; L793-S797 PolarHBondContact O-OG 3.02Å; I794-S797 PolarHBondContact O-N 3.32Å; I794-S797 VanDerWaalsContact O-N 3.09Å; I794-S797 PolarHBondContact O-OG 3.15Å
798A76.8Confident82Confident57 Ų5739.2 Ų39.247%0.47121%0.212SC..Hα-helixtrans-76.9-31.4175.400000112.3I794 S795 L796I794-A798 PolarHBondContact O-N 3.34Å; S795-A798 PolarHBondContact O-N 3.21Å; L796-A798 VanDerWaalsContact C-N 3.31Å; L796-A798 PolarHBondContact O-N 2.92Å
799Y82.8Confident82.5Confident108 Ų10835.7 Ų35.742%0.42420%0.196SC..Hα-helixtrans-80.5-37.3179.5-175.1-94.8000112.9L713 L717 F752 S795 L796L713-Y799 HydrophobicContact CD2-CE1 4.31Å; L713-Y799 HydrophobicContact CD2-CE2 3.87Å; L717-Y799 HydrophobicContact CD1-CD2 3.68Å; L717-Y799 HydrophobicContact CD1-CG 4Å; F752-Y799 HydrophobicContact CD2-CD1 4.48Å; F752-Y799 AromaticContact CD2-CE1 3.62Å; F752-Y799 HydrophobicContact CD2-CE1 3.62Å; F752-Y799 AromaticContact CE2-CD1 3.7Å; F752-Y799 HydrophobicContact CE2-CD1 3.7Å; F752-Y799 AromaticContact CE2-CE1 3.22Å; F752-Y799 HydrophobicContact CE2-CE1 3.22Å; F752-Y799 AromaticContact CE2-CZ 3.95Å; F752-Y799 HydrophobicContact CZ-CD1 4.24Å; F752-Y799 HydrophobicContact CZ-CE1 4.15Å; S795-Y799 PolarHBondContact O-N 3.07Å; S795-Y799 VanDerWaalsContact O-N 3.1Å; L796-Y799 PolarHBondContact O-N 3.36Å
800R80.3Confident82.7Confident34 Ų3433.2 Ų33.213%0.12818%0.181CC..SBendtrans-96.7125.9-177.4-66.1-61.6-165144.413.6111.5D755 L796D755-R800 IonicContact OD1-NH2 3.73Å; D755-R800 IonicContact OD2-CZ 2.64Å; D755-R800 IonicContact OD2-NH1 3.84Å; D755-R800 PolarHBondContact OD2-NH1 3.03Å; D755-R800 IonicContact OD2-NH2 2.67Å; D755-R800 PolarHBondContact OD2-NH2 3.33Å; L796-R800 HydrophobicContact CD1-CG 4.15Å; L796-R800 WeakPolarHBondContact O-CB 3.47Å; L796-R800 PolarHBondContact O-N 2.98Å
801T62.1Low83Confident143 Ų14329.4 Ų29.488%0.87717%0.165SC*.SBendtrans-79.1131.9169.949.20000110.9
802G68.4Low83Confident47 Ų4729.3 Ų29.349%0.48517%0.165SC..SBendtrans83.9-120.8179.200000114.4R400 V804R400-G802 PolarHBondContact NH2-O 3.22Å; G802-V804 PolarHBondContact O-N 2.68Å
803K65.8Low82.8Confident114 Ų11431.8 Ų31.850%0.49618%0.176SC..SBendtrans-71.6125.7-179.6-73.7-178.8-177.2170.10110T805K803-T805 HydrophobicContact CB-CG2 4.13Å; K803-T805 PolarHBondContact O-N 3.13Å
804V81.9Confident81.9Confident7 Ų736.6 Ų36.64%0.04220%0.202CC..  trans-71.5100176.6-173.80000108.7R775 L793 L796 G802R775-V804 PolarHBondContact N-O 3.42Å; L793-V804 HydrophobicContact CD1-CG1 3.66Å; L796-V804 HydrophobicContact CB-CG1 4.13Å; L796-V804 HydrophobicContact CD2-CG1 3.56Å; L796-V804 HydrophobicContact CG-CG1 3.66Å; G802-V804 PolarHBondContact O-N 2.68Å
805T88Confident80.6Confident13 Ų1339.5 Ų39.58%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-120.3146-176.358.40000112.6R772 C773 K803R772-T805 HydrophobicContact CB-CG2 3.9Å; C773-T805 CarbonylContact O-C 3.59Å; C773-T805 WeakPolarHBondContact O-CA 3.38Å; C773-T805 WeakPolarHBondContact O-CB 3.42Å; K803-T805 HydrophobicContact CB-CG2 4.13Å; K803-T805 PolarHBondContact O-N 3.13Å
806F92.7Very high78.6Confident0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-151.2125172.9-170.5-89000110.9I706 V711 I714 F740 F752 C773 R775 L796I706-F806 HydrophobicContact CB-CD1 4.43Å; I706-F806 HydrophobicContact CB-CE1 3.84Å; I706-F806 HydrophobicContact CD1-CE1 4.37Å; I706-F806 HydrophobicContact CG2-CD1 3.75Å; I706-F806 HydrophobicContact CG2-CE1 3.64Å; V711-F806 HydrophobicContact CB-CZ 4.42Å; V711-F806 HydrophobicContact CG2-CE1 3.99Å; V711-F806 HydrophobicContact CG2-CZ 3.62Å; I714-F806 HydrophobicContact CG1-CD2 4.18Å; I714-F806 HydrophobicContact CG1-CE2 3.71Å; F740-F806 HydrophobicContact CB-CD1 4.33Å; F740-F806 HydrophobicContact CB-CE1 4.42Å; F740-F806 HydrophobicContact CD1-CB 4.17Å; F740-F806 AromaticContact CD1-CD1 3.35Å; F740-F806 HydrophobicContact CD1-CD1 3.35Å; F740-F806 AromaticContact CD1-CE1 3.88Å; F740-F806 HydrophobicContact CD1-CE1 3.88Å; F740-F806 AromaticContact CD1-CG 3.85Å; F740-F806 HydrophobicContact CD1-CG 3.85Å; F740-F806 AromaticContact CD2-CD1 3.96Å; F740-F806 HydrophobicContact CD2-CD1 3.96Å; F740-F806 AromaticContact CD2-CE1 3.57Å; F740-F806 HydrophobicContact CD2-CE1 3.57Å; F740-F806 HydrophobicContact CD2-CZ 4.16Å; F740-F806 HydrophobicContact CE1-CB 3.89Å; F740-F806 AromaticContact CE1-CD1 3.46Å; F740-F806 HydrophobicContact CE1-CD1 3.46Å; F740-F806 VanDerWaalsContact CE1-CD1 3.46Å; F740-F806 HydrophobicContact CE1-CD2 4.02Å; F740-F806 AromaticContact CE1-CE1 3.94Å; F740-F806 HydrophobicContact CE1-CE1 3.94Å; F740-F806 HydrophobicContact CE1-CE2 4.47Å; F740-F806 AromaticContact CE1-CG 3.51Å; F740-F806 HydrophobicContact CE1-CG 3.51Å; F740-F806 HydrophobicContact CE1-CZ 4.43Å; F740-F806 HydrophobicContact CE2-CD1 4.03Å; F740-F806 AromaticContact CE2-CE1 3.62Å; F740-F806 HydrophobicContact CE2-CE1 3.62Å; F740-F806 HydrophobicContact CE2-CE2 4.29Å; F740-F806 AromaticContact CE2-CZ 3.78Å; F740-F806 HydrophobicContact CE2-CZ 3.78Å; F740-F806 AromaticContact CG-CD1 3.62Å; F740-F806 HydrophobicContact CG-CD1 3.62Å; F740-F806 AromaticContact CG-CE1 3.69Å; F740-F806 HydrophobicContact CG-CE1 3.69Å; F740-F806 HydrophobicContact CG-CG 4.5Å; F740-F806 AromaticContact CZ-CD1 3.81Å; F740-F806 HydrophobicContact CZ-CD1 3.81Å; F740-F806 AromaticContact CZ-CD2 3.98Å; F740-F806 HydrophobicContact CZ-CD2 3.98Å; F740-F806 AromaticContact CZ-CE1 3.82Å; F740-F806 HydrophobicContact CZ-CE1 3.82Å; F740-F806 HydrophobicContact CZ-CE2 4.01Å; F740-F806 AromaticContact CZ-CG 3.89Å; F740-F806 HydrophobicContact CZ-CG 3.89Å; F740-F806 AromaticContact CZ-CZ 3.93Å; F740-F806 HydrophobicContact CZ-CZ 3.93Å; F752-F806 AromaticContact CE1-CD2 3.57Å; F752-F806 HydrophobicContact CE1-CD2 3.57Å; F752-F806 AromaticContact CE1-CE2 3.73Å; F752-F806 HydrophobicContact CE1-CE2 3.73Å; F752-F806 AromaticContact CZ-CD2 3.97Å; F752-F806 HydrophobicContact CZ-CD2 3.97Å; F752-F806 AromaticContact CZ-CE2 3.98Å; F752-F806 HydrophobicContact CZ-CE2 3.98Å; C773-F806 PolarHBondContact O-N 2.88Å; R775-F806 HydrophobicContact CG-CB 3.79Å; R775-F806 PolarHBondContact NE-O 3.09Å; R775-F806 PolarHBondContact NH2-O 2.8Å; L796-F806 HydrophobicContact CD1-CB 4.12Å; L796-F806 HydrophobicContact CD1-CD2 3.73Å; L796-F806 HydrophobicContact CD1-CG 4.39Å; L796-F806 HydrophobicContact CD2-CB 3.71Å
807G92.9Very high76.8Confident0 Ų053.2 Ų53.20%031%0.309CS..EExtended strand (participates in β ladder)trans75.4172.1-172.800000113.4M705 C773M705-G807 CarbonylContact O-C 3.5Å; M705-G807 WeakPolarHBondContact O-CA 3.11Å; C773-G807 WeakPolarHBondContact CB-O 3.29Å; C773-G807 PolarHBondContact N-O 3.2Å
808V92.8Very high75.2Confident1 Ų156 Ų561%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-123.2146.4-176-64.50000111.4M705 E754 V769 G771 L810M705-V808 HydrophobicContact CB-CG2 4.29Å; M705-V808 HydrophobicContact CE-CG2 3.56Å; M705-V808 PolarHBondContact N-O 2.93Å; M705-V808 PolarHBondContact O-N 2.81Å; E754-V808 HydrophobicContact CB-CG1 4.43Å; E754-V808 HydrophobicContact CB-CG2 4.23Å; E754-V808 HydrophobicContact CG-CG1 4.03Å; E754-V808 HydrophobicContact CG-CG2 4.26Å; V769-V808 HydrophobicContact CG1-CB 3.93Å; V769-V808 HydrophobicContact CG1-CG1 4.26Å; V769-V808 HydrophobicContact CG1-CG2 4.3Å; G771-V808 WeakPolarHBondContact O-CA 3.25Å; V808-L810 HydrophobicContact CG2-CD2 4Å
809Y92.9Very high73.6Confident30 Ų3058.5 Ų58.512%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-82.2135.2172.5-69.8-50.2000110.5E700 A701 Y703 L704 V769 A770 G771 C773E700-Y809 HydrophobicContact CB-CE1 4.18Å; E700-Y809 HydrophobicContact CB-CE2 3.86Å; E700-Y809 WeakPolarHBondContact OE2-CE2 3.37Å; E700-Y809 PolarHBondContact OE2-OH 3.49Å; A701-Y809 HydrophobicContact CB-CD1 3.62Å; A701-Y809 HydrophobicContact CB-CD2 4.49Å; A701-Y809 HydrophobicContact CB-CE1 4.46Å; A701-Y809 HydrophobicContact CB-CG 3.64Å; Y703-Y809 WeakPolarHBondContact O-CA 3.48Å; L704-Y809 HydrophobicContact CD1-CD1 4.31Å; L704-Y809 HydrophobicContact CD1-CE1 4.31Å; V769-Y809 CarbonylContact C-O 3.57Å; A770-Y809 PolarHBondContact N-O 3.28Å; G771-Y809 PolarHBondContact O-N 3.04Å; C773-Y809 HydrophobicContact CB-CD1 4.25Å; C773-Y809 HydrophobicContact CB-CD2 4.33Å; C773-Y809 HydrophobicContact CB-CE1 3.79Å; C773-Y809 HydrophobicContact CB-CE2 3.91Å; C773-Y809 HydrophobicContact CB-CG 4.5Å; C773-Y809 VanDerWaalsContact SG-CE1 3.57Å; C773-Y809 PolarHBondContact SG-OH 2.88Å
810L90.8Very high72.1Confident0 Ų063.5 Ų63.50%037%0.367CS..EExtended strand (participates in β ladder)trans-114.9147.7174.7-47.9-179.5000110.6Y703 M705 L744 L760 F767 M768 V769 V808Y703-L810 HydrophobicContact CD2-CB 4.46Å; Y703-L810 PolarHBondContact N-O 3.46Å; Y703-L810 PolarHBondContact O-N 2.9Å; M705-L810 HydrophobicContact CB-CD1 3.83Å; M705-L810 HydrophobicContact CB-CG 4.13Å; M705-L810 HydrophobicContact CE-CD2 4.38Å; M705-L810 HydrophobicContact CG-CD1 4.48Å; M705-L810 HydrophobicContact SD-CD1 4.01Å; L744-L810 HydrophobicContact CD1-CD1 4.1Å; L760-L810 HydrophobicContact CD1-CD1 4.32Å; L760-L810 HydrophobicContact CD2-CD1 4.01Å; L760-L810 HydrophobicContact CD2-CD2 3.5Å; L760-L810 HydrophobicContact CD2-CG 4.37Å; F767-L810 HydrophobicContact CB-CB 4.22Å; F767-L810 HydrophobicContact CB-CD1 4.31Å; F767-L810 HydrophobicContact CD1-CB 4.08Å; F767-L810 HydrophobicContact CD1-CD1 4.38Å; F767-L810 HydrophobicContact CG-CB 4.41Å; F767-L810 HydrophobicContact CG-CD1 4.23Å; M768-L810 CarbonylContact O-C 3.51Å; M768-L810 WeakPolarHBondContact O-CA 3.31Å; V769-L810 HydrophobicContact CB-CD2 4.44Å; V769-L810 HydrophobicContact CG2-CD2 3.81Å; V808-L810 HydrophobicContact CG2-CD2 4Å
811S86.5Confident71.1Confident7 Ų765.9 Ų65.95%0.04939%0.394CS..EExtended strand (participates in β ladder)trans-121.5132.8168.1-55.20000108.8F767 M768F767-S811 WeakPolarHBondContact CA-O 3.47Å; M768-S811 PolarHBondContact N-O 3.03Å; M768-S811 PolarHBondContact O-N 2.83Å
812H85.6Confident72Confident22 Ų2260.5 Ų60.510%0.10236%0.36CS..EExtended strand (participates in β ladder)trans-70.4135176.8-179.5-133.8000109.7Y703 T765 R766 F767 D814Y703-H812 HydrophobicContact CE2-CB 4Å; T765-H812 VanDerWaalsContact CG2-CD2 3.4Å; T765-H812 WeakPolarHBondContact CG2-CD2 3.31Å; T765-H812 WeakPolarHBondContact CG2-NE2 3.36Å; R766-H812 PolarHBondContact O-CD2 3.43Å; F767-H812 HydrophobicContact CD1-CB 4.43Å; F767-H812 HydrophobicContact CE1-CB 4.26Å; H812-D814 IonicContact CE1-OD1 3.26Å; H812-D814 PolarHBondContact CE1-OD1 3.21Å; H812-D814 IonicContact ND1-OD1 3.78Å; H812-D814 IonicContact NE2-OD1 3.26Å
813Q81Confident73Confident53 Ų5362 Ų6225%0.24836%0.359CS..  trans-106.6107.6171.4-72.5-175.4-28.200108.5R766 M768 P815R766-Q813 PolarHBondContact O-N 3.25Å; M768-Q813 HydrophobicContact CB-CG 4.3Å; Q813-P815 WeakPolarHBondContact O-CD 3.41Å
814D67.3Low74.3Confident104 Ų10456.6 Ų56.656%0.55634%0.336SS*.  trans-70122.7171.4-87.1-42.8000109.4H812 E816H812-D814 IonicContact CE1-OD1 3.26Å; H812-D814 PolarHBondContact CE1-OD1 3.21Å; H812-D814 IonicContact ND1-OD1 3.78Å; H812-D814 IonicContact NE2-OD1 3.26Å; D814-E816 PolarHBondContact O-N 3.46Å
815P53.8Low74.9Confident80 Ų8058 Ų5852%0.51935%0.345SS..  trans-68.2125.5166.726.1-27.6000108.3Q813 G817 S818Q813-P815 WeakPolarHBondContact O-CD 3.41Å; P815-G817 PolarHBondContact O-N 3Å; P815-S818 PolarHBondContact O-N 2.66Å
816E44.3Very low75.2Confident206 Ų20659.2 Ų59.296%0.96335%0.353SS*.THydrogen-bonded Turntrans-43.2111176.9-70.1-177.9164.400110.9D814D814-E816 PolarHBondContact O-N 3.46Å
817G46.3Very low75.1Confident84 Ų8461.7 Ų61.787%0.86638%0.378SS*.THydrogen-bonded Turntrans97.77.8169.200000118.7P815 A819P815-G817 PolarHBondContact O-N 3Å; G817-A819 PolarHBondContact O-N 3.39Å
818S45.8Very low75.1Confident66 Ų6662.8 Ų62.846%0.46239%0.386SS..  trans-82.7107.7173.7-1750000112.5P815 R820P815-S818 PolarHBondContact O-N 2.66Å; S818-R820 VanDerWaalsContact C-N 3.26Å; S818-R820 PolarHBondContact O-N 3.28Å
819A44.5Very low75.1Confident110 Ų11067.7 Ų67.791%0.90941%0.412SS*.  trans-8211.8176.200000114.5G817G817-A819 PolarHBondContact O-N 3.39Å
820R51Low74.9Confident213 Ų21366.6 Ų66.680%0.80441%0.408SS*.SBendtrans-94.2129.8176.8-83.2-177.2174.5173.1-1.4110.4S818 N822S818-R820 VanDerWaalsContact C-N 3.26Å; S818-R820 PolarHBondContact O-N 3.28Å; R820-N822 PolarHBondContact O-N 3.43Å; R820-N822 VanDerWaalsContact O-N 3.07Å
821A58.8Low74.9Confident83 Ų8375.6 Ų75.669%0.68644%0.442SS*.  trans-62109.1167.500000108.9
822N80.9Confident74.9Confident31 Ų3176.5 Ų76.517%0.16645%0.45CS..  trans-70.2131.5177.3-72.5-20.3000109.1V569 R820V569-N822 HydrophobicContact CB-CB 4.39Å; V569-N822 PolarHBondContact N-O 2.92Å; R820-N822 PolarHBondContact O-N 3.43Å; R820-N822 VanDerWaalsContact O-N 3.07Å
823V89.3Confident74.9Confident77 Ų7779.9 Ų79.947%0.46747%0.466SS..EExtended strand (participates in β ladder)trans-111.8130.8175.11770000107.8D566 W567D566-V823 HydrophobicContact CB-CG1 3.95Å; W567-V823 WeakPolarHBondContact O-CA 3.23Å
824L92.3Very high74.7Confident2 Ų281.4 Ų81.41%0.0148%0.48CS..EExtended strand (participates in β ladder)trans-91.9132.2170-72.9172.2000109.5I551 D566 W567 V569 L574 L744 I762 T765 F767I551-L824 HydrophobicContact CD1-CB 3.88Å; I551-L824 VanDerWaalsContact CD1-O 3.31Å; I551-L824 WeakPolarHBondContact CD1-O 3.1Å; D566-L824 CarbonylContact C-O 3.5Å; D566-L824 VanDerWaalsContact CA-O 3.3Å; D566-L824 WeakPolarHBondContact CA-O 3.34Å; W567-L824 PolarHBondContact N-O 3.47Å; W567-L824 PolarHBondContact O-N 2.68Å; V569-L824 HydrophobicContact CG2-CB 4.46Å; V569-L824 HydrophobicContact CG2-CD1 3.54Å; V569-L824 HydrophobicContact CG2-CG 3.58Å; L574-L824 HydrophobicContact CD2-CD1 4.06Å; L744-L824 HydrophobicContact CD2-CD1 4.23Å; I762-L824 HydrophobicContact CB-CD2 4.15Å; I762-L824 HydrophobicContact CG2-CD2 4.01Å; T765-L824 HydrophobicContact CG2-CD2 4.41Å; F767-L824 HydrophobicContact CE2-CD2 4.28Å; F767-L824 HydrophobicContact CZ-CD1 4.04Å; F767-L824 HydrophobicContact CZ-CD2 4.26Å
825S94.5Very high74.9Confident35 Ų3580.8 Ų80.825%0.24547%0.474CS..EExtended strand (participates in β ladder)trans-120.9134-179.1-59.20000111.2Q565 D566 S828Q565-S825 CarbonylContact O-C 3.55Å; Q565-S825 WeakPolarHBondContact O-CA 3.13Å; D566-S825 WeakPolarHBondContact OD1-CB 3.34Å; D566-S825 PolarHBondContact OD1-OG 3.29Å; S825-S828 VanDerWaalsContact O-CB 3.27Å; S825-S828 WeakPolarHBondContact O-CB 3.26Å; S825-S828 PolarHBondContact O-N 2.6Å; S825-S828 PolarHBondContact O-OG 3.22Å
826V94.6Very high74.5Confident40 Ų4085 Ų8524%0.24249%0.492CS..THydrogen-bonded Turntrans-56.9140.6168.1173.30000109.6T549 I551 Q565 S828T549-V826 VanDerWaalsContact O-CG1 3.27Å; T549-V826 WeakPolarHBondContact O-CG1 2.99Å; I551-V826 HydrophobicContact CD1-CG2 4.09Å; I551-V826 HydrophobicContact CG1-CG2 3.91Å; Q565-V826 PolarHBondContact O-N 3.31Å; V826-S828 VanDerWaalsContact C-N 3.35Å
827G92.2Very high74.1Confident51 Ų5187.5 Ų87.553%0.52649%0.494SS..THydrogen-bonded Turntrans89.7-7.6-173.700000114.4L548 L829L548-G827 WeakPolarHBondContact O-CA 3.24Å; L548-G827 PolarHBondContact O-N 2.99Å; G827-L829 PolarHBondContact O-N 2.94Å
828S92.3Very high75.5Confident24 Ų2487.7 Ų87.717%0.16848%0.476CS..  trans-58135.8175.7-65.80000111.7L548 S825 V826L548-S828 PolarHBondContact N-O 3.23Å; S825-S828 VanDerWaalsContact O-CB 3.27Å; S825-S828 WeakPolarHBondContact O-CB 3.26Å; S825-S828 PolarHBondContact O-N 2.6Å; S825-S828 PolarHBondContact O-OG 3.22Å; V826-S828 VanDerWaalsContact C-N 3.35Å
829L91.6Very high77Confident103 Ų10388.8 Ų88.854%0.53948%0.476SS..EExtended strand (participates in β ladder)trans-69.3142.7171.9-65.5-178.6000110.1A545 Y546 T547 G763 G827A545-L829 HydrophobicContact CB-CD2 3.85Å; Y546-L829 CarbonylContact O-C 3.51Å; Y546-L829 WeakPolarHBondContact O-CA 3.44Å; T547-L829 HydrophobicContact CG2-CD2 3.92Å; G763-L829 PolarHBondContact N-O 3Å; G763-L829 VanDerWaalsContact N-O 3.1Å; G827-L829 PolarHBondContact O-N 2.94Å
830I90.6Very high78.8Confident7 Ų787.7 Ų87.74%0.03645%0.452CS..EExtended strand (participates in β ladder)trans-114130179.5-52.6176.9000109.1Y546 L548 I746 L760 I761 I762Y546-I830 PolarHBondContact O-N 3.45Å; L548-I830 HydrophobicContact CB-CD1 4.23Å; I746-I830 HydrophobicContact CB-CD1 3.92Å; I746-I830 HydrophobicContact CG2-CD1 3.3Å; L760-I830 HydrophobicContact CB-CG2 4.23Å; L760-I830 HydrophobicContact CD1-CG2 3.82Å; I761-I830 CarbonylContact O-C 3.53Å; I761-I830 VanDerWaalsContact O-CA 3.25Å; I761-I830 WeakPolarHBondContact O-CA 3.32Å; I762-I830 HydrophobicContact CB-CG1 4.43Å; I762-I830 HydrophobicContact CD1-CD1 4.37Å; I762-I830 HydrophobicContact CG1-CD1 4.26Å; I762-I830 HydrophobicContact CG1-CG1 4.01Å; I762-I830 HydrophobicContact CG1-CG2 4.27Å; I762-I830 HydrophobicContact CG2-CG1 4.17Å
831R89.6Confident80.5Confident189 Ų18980.3 Ų80.371%0.71343%0.432SS*.EExtended strand (participates in β ladder)trans-111.2114.6170.7-62.8-179.4-175.3168.53.5108.1L760 I761L760-R831 CarbonylContact C-O 3.49Å; L760-R831 VanDerWaalsContact CA-O 3.24Å; L760-R831 WeakPolarHBondContact CA-O 3.33Å; I761-R831 HydrophobicContact CB-CB 4.46Å; I761-R831 PolarHBondContact N-O 2.63Å; I761-R831 PolarHBondContact O-N 3.15Å
832A87.1Confident81.8Confident27 Ų2780.1 Ų80.122%0.22342%0.416CS..EExtended strand (participates in β ladder)trans-102.7140.1179.500000111.1Y546 W757Y546-A832 HydrophobicContact CD2-CB 4.4Å; Y546-A832 HydrophobicContact CE2-CB 4.18Å; W757-A832 HydrophobicContact CD2-CB 3.5Å; W757-A832 VanDerWaalsContact CD2-CB 3.5Å; W757-A832 VanDerWaalsContact CE2-CB 3.48Å; W757-A832 HydrophobicContact CE3-CB 3.81Å; W757-A832 HydrophobicContact CG-CB 3.96Å; W757-A832 HydrophobicContact CH2-CB 4.07Å; W757-A832 HydrophobicContact CZ2-CB 3.79Å; W757-A832 HydrophobicContact CZ3-CB 4.08Å
833E84.3Confident81.9Confident93 Ų9383.4 Ų83.444%0.43543%0.433SS..EExtended strand (participates in β ladder)trans-109.4115.6173.4-68.3178.9-178.400109S758 H759S758-E833 PolarHBondContact N-O 3Å; S758-E833 PolarHBondContact OG-O 2.75Å; H759-E833 HydrophobicContact CB-CB 4.34Å; H759-E833 PolarHBondContact N-O 3.25Å; H759-E833 PolarHBondContact O-N 3.43Å
834P78.1Confident81.3Confident84 Ų8483.9 Ų83.955%0.54543%0.43SS..EExtended strand (participates in β ladder)trans-66.8161.9177.927.5-32.4000111.5N756 S758 N836N756-P834 CarbonylContact O-C 3.59Å; N756-P834 WeakPolarHBondContact O-CA 3.11Å; S758-P834 PolarHBondContact OG-O 3.1Å; P834-N836 PolarHBondContact O-N 2.81Å
835H70.4Confident80.5Confident92 Ų9290.2 Ų90.243%0.42646%0.462SS..  trans-60.9125.5165.2-76-67.9000109.8N756 W757 Y837N756-H835 PolarHBondContact O-CD2 2.89Å; N756-H835 PolarHBondContact O-N 2.88Å; W757-H835 PolarHBondContact O-NE2 3.23Å; H835-Y837 PolarHBondContact O-N 3.04Å; H835-Y837 VanDerWaalsContact O-N 3.14Å
836N46.8Very low79.3Confident167 Ų16794.8 Ų94.889%0.89348%0.481SS*.  trans-66.8109.4163.2-74.6-26.4000107.1P834P834-N836 PolarHBondContact O-N 2.81Å
837Y34.6Very low78Confident260 Ų26099.7 Ų99.7100%1.0250%0.502SS*.  trans-780172-86.5-82.9000111.3H835H835-Y837 PolarHBondContact O-N 3.04Å; H835-Y837 VanDerWaalsContact O-N 3.14Å

Retrieved 837 of 837 residues in 283.8 ms (Link to these results)

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