A0A077ZB80_TRITR Loading...

tRNA:m(4)X modification enzyme TRM13

tRNA methylase which 2'-O-methylates cytidine(4) in tRNA(Pro) and tRNA(Gly)(GCC), and adenosine(4) in tRNA(His).

AlphaFold DB , UniProt , Accession A0A077ZB80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 579 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
1M49.9Very low47.2Very low74 Ų7474.5 Ų74.537%0.36539%0.392SS..  0135.60-76.9171.858.900108.5D5 I6 C9 L66 V69 Q70M1-D5 HydrophobicContact CB-CB 4.01Å; M1-D5 HydrophobicContact CE-CB 4.06Å; M1-D5 WeakPolarHBondContact CE-O 3.45Å; M1-D5 HydrophobicContact CG-CB 4.32Å; M1-I6 HydrophobicContact CB-CG1 4.1Å; M1-I6 HydrophobicContact CE-CG1 4.17Å; M1-C9 HydrophobicContact CE-CB 3.91Å; M1-C9 WeakPolarHBondContact CE-SG 3.43Å; M1-L66 HydrophobicContact CE-CD2 3.49Å; M1-L66 VanDerWaalsContact CE-CD2 3.49Å; M1-L66 HydrophobicContact SD-CD2 4.2Å; M1-V69 HydrophobicContact CE-CG1 4.2Å; M1-V69 HydrophobicContact SD-CB 4.24Å; M1-V69 HydrophobicContact SD-CG1 4.09Å; M1-Q70 HydrophobicContact CG-CB 4.41Å; M1-Q70 HydrophobicContact SD-CB 3.96Å
2T43.8Very low48.6Very low82 Ų8274.5 Ų74.550%0.50340%0.396SS..  trans-74.4168.6174.3690000110.9D4 D5 I6T2-D4 PolarHBondContact O-N 3.3Å; T2-D5 WeakPolarHBondContact CB-OD2 3.23Å; T2-D5 PolarHBondContact N-OD2 3.11Å; T2-D5 WeakPolarHBondContact O-CB 3.42Å; T2-D5 PolarHBondContact O-N 2.74Å; T2-D5 VanDerWaalsContact O-N 3.09Å; T2-D5 PolarHBondContact OG1-N 3.1Å; T2-D5 PolarHBondContact OG1-OD1 3.26Å; T2-D5 PolarHBondContact OG1-OD2 3.46Å; T2-I6 WeakPolarHBondContact O-CG1 3.38Å; T2-I6 PolarHBondContact O-N 2.97Å
3L36.9Very low50.5Low129 Ų12969.1 Ų69.168%0.67537%0.367SS*.Hα-helixtrans-59.6-37.4176.7-17076.6000111.5D5 I6 L7L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 3.35Å; L3-I6 PolarHBondContact O-N 3.37Å; L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 WeakPolarHBondContact O-CG 3.23Å; L3-L7 PolarHBondContact O-N 3.47Å
4D39.9Very low52.2Low103 Ų10370.7 Ų70.755%0.55138%0.376SS*.Hα-helixtrans-68.1-32.7176.1-73-4000111.5T2 R8T2-D4 PolarHBondContact O-N 3.3Å; D4-R8 VanDerWaalsContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CB 3.49Å; D4-R8 VanDerWaalsContact O-CG 3.27Å; D4-R8 WeakPolarHBondContact O-CG 3.49Å; D4-R8 PolarHBondContact O-N 3.18Å; D4-R8 PolarHBondContact O-NE 3.09Å
5D43.1Very low53.7Low48 Ų4878.8 Ų78.826%0.25740%0.399SS..Hα-helixtrans-72.2-35.3174.1-53.4-34.4000111.9M1 T2 L3 R8 C9M1-D5 HydrophobicContact CB-CB 4.01Å; M1-D5 HydrophobicContact CE-CB 4.06Å; M1-D5 WeakPolarHBondContact CE-O 3.45Å; M1-D5 HydrophobicContact CG-CB 4.32Å; T2-D5 WeakPolarHBondContact CB-OD2 3.23Å; T2-D5 PolarHBondContact N-OD2 3.11Å; T2-D5 WeakPolarHBondContact O-CB 3.42Å; T2-D5 PolarHBondContact O-N 2.74Å; T2-D5 VanDerWaalsContact O-N 3.09Å; T2-D5 PolarHBondContact OG1-N 3.1Å; T2-D5 PolarHBondContact OG1-OD1 3.26Å; T2-D5 PolarHBondContact OG1-OD2 3.46Å; L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 3.35Å; D5-R8 IonicContact OD1-CZ 2.59Å; D5-R8 IonicContact OD1-NE 3.52Å; D5-R8 IonicContact OD1-NH2 3.75Å; D5-R8 PolarHBondContact OD1-NH2 2.96Å; D5-C9 VanDerWaalsContact O-CB 3.3Å; D5-C9 WeakPolarHBondContact O-CB 3.38Å; D5-C9 PolarHBondContact O-N 3.49Å; D5-C9 PolarHBondContact O-SG 3.47Å
6I42.1Very low55.1Low62 Ų6276.4 Ų76.432%0.31839%0.388SS..Hα-helixtrans-70.1-41174.5-64.9166.8000110.3M1 T2 L3 C9 G10 F62 L66M1-I6 HydrophobicContact CB-CG1 4.1Å; M1-I6 HydrophobicContact CE-CG1 4.17Å; T2-I6 WeakPolarHBondContact O-CG1 3.38Å; T2-I6 PolarHBondContact O-N 2.97Å; L3-I6 PolarHBondContact O-N 3.37Å; I6-C9 CarbonylContact O-C 3.55Å; I6-C9 PolarHBondContact O-N 3.35Å; I6-G10 PolarHBondContact O-N 3.48Å; I6-F62 HydrophobicContact CG2-CE1 4.32Å; I6-F62 HydrophobicContact CG2-CZ 4.31Å; I6-L66 HydrophobicContact CG1-CD2 4.4Å; I6-L66 HydrophobicContact CG2-CD1 4.4Å; I6-L66 HydrophobicContact CG2-CD2 4.45Å
7L43.2Very low56.8Low104 Ų10472.1 Ų72.155%0.54537%0.366SS..Hα-helixtrans-62.8-44.2173.7-77.1165.7000110.9L3 C9 G10 L11L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 WeakPolarHBondContact O-CG 3.23Å; L3-L7 PolarHBondContact O-N 3.47Å; L7-C9 VanDerWaalsContact C-N 3.35Å; L7-C9 PolarHBondContact O-N 2.74Å; L7-G10 PolarHBondContact O-N 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.66Å
8R48.5Very low57.9Low91 Ų9175.8 Ų75.834%0.34338%0.379SS..Hα-helixtrans-61.1-42.3172.6-80.7-176.9-89.1-143.59.7112.3D4 D5 G10 L11 V12 L109D4-R8 VanDerWaalsContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CB 3.49Å; D4-R8 VanDerWaalsContact O-CG 3.27Å; D4-R8 WeakPolarHBondContact O-CG 3.49Å; D4-R8 PolarHBondContact O-N 3.18Å; D4-R8 PolarHBondContact O-NE 3.09Å; D5-R8 IonicContact OD1-CZ 2.59Å; D5-R8 IonicContact OD1-NE 3.52Å; D5-R8 IonicContact OD1-NH2 3.75Å; D5-R8 PolarHBondContact OD1-NH2 2.96Å; R8-G10 VanDerWaalsContact C-N 3.31Å; R8-L11 PolarHBondContact O-N 3.16Å; R8-V12 WeakPolarHBondContact O-CG2 2.96Å; R8-V12 PolarHBondContact O-N 3.42Å; R8-L109 HydrophobicContact CG-CD2 3.97Å
9C54Low59.2Low13 Ų1376.9 Ų76.99%0.08839%0.386CS..Hα-helixtrans-68.3-32.9176-70.10000112.2M1 D5 I6 L7 V12 F13 F62 F65 L66 V69M1-C9 HydrophobicContact CE-CB 3.91Å; M1-C9 WeakPolarHBondContact CE-SG 3.43Å; D5-C9 VanDerWaalsContact O-CB 3.3Å; D5-C9 WeakPolarHBondContact O-CB 3.38Å; D5-C9 PolarHBondContact O-N 3.49Å; D5-C9 PolarHBondContact O-SG 3.47Å; I6-C9 CarbonylContact O-C 3.55Å; I6-C9 PolarHBondContact O-N 3.35Å; L7-C9 VanDerWaalsContact C-N 3.35Å; L7-C9 PolarHBondContact O-N 2.74Å; C9-V12 PolarHBondContact O-N 3.03Å; C9-F13 WeakPolarHBondContact O-CB 3.39Å; C9-F13 PolarHBondContact O-N 2.89Å; C9-F62 HydrophobicContact CB-CE2 4.48Å; C9-F65 HydrophobicContact CB-CE1 4.13Å; C9-L66 HydrophobicContact CB-CD2 3.61Å; C9-V69 VanDerWaalsContact SG-CG1 3.59Å
10G56.9Low60.3Low13 Ų1380 Ų8013%0.13440%0.399CS..Hα-helixtrans-60-49170.200000111I6 L7 R8 V12 F13 D14I6-G10 PolarHBondContact O-N 3.48Å; L7-G10 PolarHBondContact O-N 3.47Å; R8-G10 VanDerWaalsContact C-N 3.31Å; G10-V12 VanDerWaalsContact C-N 3.3Å; G10-V12 PolarHBondContact O-N 3.46Å; G10-F13 PolarHBondContact O-N 3.15Å; G10-D14 WeakPolarHBondContact O-CB 3.46Å; G10-D14 VanDerWaalsContact O-CG 3.26Å; G10-D14 PolarHBondContact O-N 3.35Å
11L60.6Low61.4Low101 Ų10180.2 Ų80.253%0.52940%0.402SS..Hα-helixtrans-61.3-37.7176.1-66.4171.9000112.8L7 R8 R15L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.66Å; R8-L11 PolarHBondContact O-N 3.16Å; L11-R15 VanDerWaalsContact O-CB 3.28Å; L11-R15 WeakPolarHBondContact O-CB 3.38Å; L11-R15 PolarHBondContact O-N 2.67Å
12V64.3Low63.1Low74 Ų7478.4 Ų78.445%0.44840%0.402SS..Hα-helixtrans-70.8-43.2175.5175.80000110.7R8 C9 G10 R15 L16 F65R8-V12 WeakPolarHBondContact O-CG2 2.96Å; R8-V12 PolarHBondContact O-N 3.42Å; C9-V12 PolarHBondContact O-N 3.03Å; G10-V12 VanDerWaalsContact C-N 3.3Å; G10-V12 PolarHBondContact O-N 3.46Å; V12-R15 WeakPolarHBondContact O-CB 3.15Å; V12-R15 PolarHBondContact O-N 3.43Å; V12-L16 HydrophobicContact CG1-CD1 4.31Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 3.46Å; V12-L16 VanDerWaalsContact O-N 3.11Å; V12-F65 HydrophobicContact CB-CZ 4.41Å; V12-F65 HydrophobicContact CG1-CZ 3.86Å
13F73.6Confident65.2Low4 Ų479.1 Ų79.12%0.01840%0.396CS..Hα-helixtrans-62.7-50.7178.8-172.4-90.6000111.1C9 G10 R15 L16 D17 G22 L24 F62 F65C9-F13 WeakPolarHBondContact O-CB 3.39Å; C9-F13 PolarHBondContact O-N 2.89Å; G10-F13 PolarHBondContact O-N 3.15Å; F13-R15 PolarHBondContact O-N 3.39Å; F13-L16 CarbonylContact O-C 3.54Å; F13-L16 WeakPolarHBondContact O-CA 3.41Å; F13-L16 PolarHBondContact O-N 3.12Å; F13-D17 HydrophobicContact CD1-CB 4.24Å; F13-D17 HydrophobicContact CE1-CB 4.09Å; F13-D17 WeakPolarHBondContact O-CB 3.49Å; F13-D17 PolarHBondContact O-N 2.99Å; F13-G22 WeakPolarHBondContact CZ-O 3.47Å; F13-L24 HydrophobicContact CD2-CD1 3.65Å; F13-L24 HydrophobicContact CD2-CD2 4.44Å; F13-L24 HydrophobicContact CD2-CG 3.88Å; F13-L24 HydrophobicContact CE2-CD1 3.66Å; F13-L24 HydrophobicContact CE2-CD2 4.3Å; F13-L24 HydrophobicContact CE2-CG 3.48Å; F13-L24 VanDerWaalsContact CE2-CG 3.48Å; F13-L24 HydrophobicContact CZ-CD2 4.48Å; F13-L24 HydrophobicContact CZ-CG 3.94Å; F13-F62 HydrophobicContact CB-CD2 3.62Å; F13-F62 HydrophobicContact CB-CE2 3.71Å; F13-F62 HydrophobicContact CD1-CB 4.36Å; F13-F62 AromaticContact CD1-CD2 3.83Å; F13-F62 HydrophobicContact CD1-CD2 3.83Å; F13-F62 HydrophobicContact CD1-CG 4.47Å; F13-F62 HydrophobicContact CD2-CB 4.44Å; F13-F62 AromaticContact CD2-CD2 3.68Å; F13-F62 HydrophobicContact CD2-CD2 3.68Å; F13-F62 HydrophobicContact CE1-CB 4.1Å; F13-F62 HydrophobicContact CE1-CD2 4.39Å; F13-F62 VanDerWaalsContact CE2-CA 3.49Å; F13-F62 HydrophobicContact CE2-CB 4.13Å; F13-F62 HydrophobicContact CE2-CD2 4.22Å; F13-F62 AromaticContact CG-CD2 3.43Å; F13-F62 HydrophobicContact CG-CD2 3.43Å; F13-F62 VanDerWaalsContact CG-CD2 3.43Å; F13-F62 HydrophobicContact CG-CE2 4.07Å; F13-F62 HydrophobicContact CG-CG 4.41Å; F13-F62 HydrophobicContact CZ-CB 3.96Å; F13-F65 HydrophobicContact CB-CD1 4.01Å; F13-F65 HydrophobicContact CB-CE1 3.98Å; F13-F65 HydrophobicContact CD2-CB 3.6Å; F13-F65 AromaticContact CD2-CD1 3.59Å; F13-F65 HydrophobicContact CD2-CD1 3.59Å; F13-F65 HydrophobicContact CD2-CD2 4.07Å; F13-F65 HydrophobicContact CD2-CE1 4.25Å; F13-F65 AromaticContact CD2-CG 3.49Å; F13-F65 HydrophobicContact CD2-CG 3.49Å; F13-F65 VanDerWaalsContact CD2-CG 3.49Å; F13-F65 HydrophobicContact CE2-CB 3.7Å; F13-F65 HydrophobicContact CE2-CG 4.09Å; F13-F65 HydrophobicContact CG-CD1 4.27Å
14D73.9Confident67.5Low92 Ų9273.1 Ų73.149%0.49236%0.364SS..Hα-helixtrans-59.8-28.6176.8-70.9-9.9000112.3G10G10-D14 WeakPolarHBondContact O-CB 3.46Å; G10-D14 VanDerWaalsContact O-CG 3.26Å; G10-D14 PolarHBondContact O-N 3.35Å
15R75.5Confident69.8Low192 Ų19270.1 Ų70.173%0.72535%0.348SS*.Hα-helixtrans-74.6-30.4175-176.6176180169.71.2112.4L11 V12 F13L11-R15 VanDerWaalsContact O-CB 3.28Å; L11-R15 WeakPolarHBondContact O-CB 3.38Å; L11-R15 PolarHBondContact O-N 2.67Å; V12-R15 WeakPolarHBondContact O-CB 3.15Å; V12-R15 PolarHBondContact O-N 3.43Å; F13-R15 PolarHBondContact O-N 3.39Å
16L76.4Confident71.7Confident41 Ų4170 Ų7022%0.21535%0.354CS..Hα-helixtrans-84.5-40.2177.9-64.8-176.8000111.4V12 F13 K18 L24 D28 A32 F65V12-L16 HydrophobicContact CG1-CD1 4.31Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 3.46Å; V12-L16 VanDerWaalsContact O-N 3.11Å; F13-L16 CarbonylContact O-C 3.54Å; F13-L16 WeakPolarHBondContact O-CA 3.41Å; F13-L16 PolarHBondContact O-N 3.12Å; L16-K18 PolarHBondContact O-N 3.06Å; L16-K18 VanDerWaalsContact O-N 3.09Å; L16-L24 HydrophobicContact CB-CD1 4.17Å; L16-L24 HydrophobicContact CB-CD2 3.49Å; L16-L24 VanDerWaalsContact CB-CD2 3.49Å; L16-L24 HydrophobicContact CB-CG 4.5Å; L16-L24 HydrophobicContact CD1-CD1 4.14Å; L16-D28 WeakPolarHBondContact O-CB 3.33Å; L16-A32 HydrophobicContact CD1-CB 4.05Å; L16-A32 HydrophobicContact CD2-CB 3.43Å; L16-A32 VanDerWaalsContact CD2-CB 3.43Å; L16-A32 HydrophobicContact CG-CB 4.33Å; L16-F65 HydrophobicContact CD1-CE2 4.22Å
17D83.1Confident73.7Confident3 Ų369.7 Ų69.72%0.01636%0.358CS..  trans-77.682.2176178.76.5000110.3F13 H20 D21 G22 L24F13-D17 HydrophobicContact CD1-CB 4.24Å; F13-D17 HydrophobicContact CE1-CB 4.09Å; F13-D17 WeakPolarHBondContact O-CB 3.49Å; F13-D17 PolarHBondContact O-N 2.99Å; D17-H20 PolarHBondContact O-CE1 2.97Å; D17-H20 PolarHBondContact O-N 3.21Å; D17-H20 PolarHBondContact O-ND1 3.17Å; D17-H20 VanDerWaalsContact OD1-CA 3.25Å; D17-H20 WeakPolarHBondContact OD1-CA 3.41Å; D17-H20 PolarHBondContact OD1-N 2.87Å; D17-H20 WeakPolarHBondContact OD2-CA 3.24Å; D17-D21 PolarHBondContact OD1-N 3.28Å; D17-D21 PolarHBondContact OD2-N 2.77Å; D17-G22 WeakPolarHBondContact OD2-CA 3.44Å; D17-G22 PolarHBondContact OD2-N 3.33Å; D17-L24 HydrophobicContact CB-CD2 3.76Å; D17-L24 VanDerWaalsContact N-CD2 3.3Å
18K76.9Confident75.7Confident139 Ų13965 Ų6560%0.60433%0.333SS*.SBendtrans-75.8-27-173.4-70.6-165.4177.8-170.60114.1L16 H20L16-K18 PolarHBondContact O-N 3.06Å; L16-K18 VanDerWaalsContact O-N 3.09Å; K18-H20 VanDerWaalsContact C-N 3.35Å
19D81.7Confident77Confident97 Ų9761.4 Ų61.452%0.51932%0.32SS..SBendtrans-90.5-4.3176.254-19.6000112.9D21D19-D21 PolarHBondContact O-N 3.29Å
20H81.1Confident78Confident137 Ų13762.1 Ų62.163%0.63433%0.327SS*.  trans58.136.6173.8-57.2-52.6000112.1D17 K18D17-H20 PolarHBondContact O-CE1 2.97Å; D17-H20 PolarHBondContact O-N 3.21Å; D17-H20 PolarHBondContact O-ND1 3.17Å; D17-H20 VanDerWaalsContact OD1-CA 3.25Å; D17-H20 WeakPolarHBondContact OD1-CA 3.41Å; D17-H20 PolarHBondContact OD1-N 2.87Å; D17-H20 WeakPolarHBondContact OD2-CA 3.24Å; K18-H20 VanDerWaalsContact C-N 3.35Å
21D85.4Confident78.8Confident85 Ų8565.8 Ų65.846%0.45534%0.339SS..SBendtrans-85.2-3177.183.2-13000112.3D17 D19 R23D17-D21 PolarHBondContact OD1-N 3.28Å; D17-D21 PolarHBondContact OD2-N 2.77Å; D19-D21 PolarHBondContact O-N 3.29Å; D21-R23 WeakPolarHBondContact OD1-CA 3.41Å; D21-R23 WeakPolarHBondContact OD1-CB 3.42Å; D21-R23 PolarHBondContact OD1-N 2.84Å
22G83.9Confident79.2Confident37 Ų3761.5 Ų61.538%0.38132%0.319SS..SBendtrans84.412.5179.600000113.5F13 D17F13-G22 WeakPolarHBondContact CZ-O 3.47Å; D17-G22 WeakPolarHBondContact OD2-CA 3.44Å; D17-G22 PolarHBondContact OD2-N 3.33Å
23R88.7Confident79.3Confident96 Ų9659.4 Ų59.436%0.36230%0.304SS..EExtended strand (participates in β ladder)trans-141.1144.1-172.9-59.8168.9170.9-115.3-10.6111D21 D57 T59D21-R23 WeakPolarHBondContact OD1-CA 3.41Å; D21-R23 WeakPolarHBondContact OD1-CB 3.42Å; D21-R23 PolarHBondContact OD1-N 2.84Å; R23-D57 IonicContact CZ-OD2 2.64Å; R23-D57 VanDerWaalsContact NH1-CG 3.32Å; R23-D57 IonicContact NH1-OD1 3.49Å; R23-D57 IonicContact NH1-OD2 3.33Å; R23-D57 PolarHBondContact NH1-OD2 3.37Å; R23-D57 IonicContact NH2-OD2 3.11Å; R23-T59 PolarHBondContact NH1-OG1 3.08Å
24L85.7Confident78.9Confident3 Ų364.4 Ų64.42%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-98.1107.6172.2-59.2177.9000109.5F13 L16 D17 D28 I29 I60 F65F13-L24 HydrophobicContact CD2-CD1 3.65Å; F13-L24 HydrophobicContact CD2-CD2 4.44Å; F13-L24 HydrophobicContact CD2-CG 3.88Å; F13-L24 HydrophobicContact CE2-CD1 3.66Å; F13-L24 HydrophobicContact CE2-CD2 4.3Å; F13-L24 HydrophobicContact CE2-CG 3.48Å; F13-L24 VanDerWaalsContact CE2-CG 3.48Å; F13-L24 HydrophobicContact CZ-CD2 4.48Å; F13-L24 HydrophobicContact CZ-CG 3.94Å; L16-L24 HydrophobicContact CB-CD1 4.17Å; L16-L24 HydrophobicContact CB-CD2 3.49Å; L16-L24 VanDerWaalsContact CB-CD2 3.49Å; L16-L24 HydrophobicContact CB-CG 4.5Å; L16-L24 HydrophobicContact CD1-CD1 4.14Å; D17-L24 HydrophobicContact CB-CD2 3.76Å; D17-L24 VanDerWaalsContact N-CD2 3.3Å; L24-D28 HydrophobicContact CD2-CB 4.2Å; L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 4.09Å; L24-I60 HydrophobicContact CB-CB 4.27Å; L24-I60 PolarHBondContact N-O 3.04Å; L24-I60 PolarHBondContact O-N 3.1Å; L24-F65 HydrophobicContact CD1-CD2 3.72Å; L24-F65 HydrophobicContact CD1-CE2 4.09Å; L24-F65 HydrophobicContact CD1-CG 4.39Å
25N86.6Confident78.1Confident40 Ų4064.8 Ų64.821%0.21434%0.337CS..  trans-82.9175.5173.265.457.8000111.4S27 D28 I29 T59N25-S27 PolarHBondContact O-N 3.28Å; N25-S27 WeakPolarHBondContact OD1-CA 3.49Å; N25-S27 WeakPolarHBondContact OD1-CB 3.39Å; N25-S27 PolarHBondContact OD1-N 2.65Å; N25-D28 PolarHBondContact ND2-OD2 2.92Å; N25-D28 PolarHBondContact O-N 3.21Å; N25-D28 VanDerWaalsContact O-N 3.08Å; N25-D28 PolarHBondContact OD1-N 2.87Å; N25-D28 VanDerWaalsContact OD1-N 3.13Å; N25-D28 PolarHBondContact OD1-OD2 3.42Å; N25-D28 VanDerWaalsContact OD1-OD2 3.11Å; N25-I29 WeakPolarHBondContact O-CG1 3.39Å; N25-I29 PolarHBondContact O-N 3.25Å; N25-T59 HydrophobicContact CB-CG2 4.13Å
26A84.9Confident76.8Confident46 Ų4662.4 Ų62.438%0.3834%0.338SS..Hα-helixtrans-55.8-33.6178.300000114.1A30 I45 I49A26-A30 WeakPolarHBondContact O-CB 3.4Å; A26-A30 PolarHBondContact O-N 3.18Å; A26-I45 HydrophobicContact CB-CG2 3.84Å; A26-I45 WeakPolarHBondContact O-CG2 3.45Å; A26-I49 HydrophobicContact CB-CD1 3.67Å
27S83.3Confident75.6Confident56 Ų5665.4 Ų65.439%0.39235%0.349SS..Hα-helixtrans-69.8-37.8177.71330000111.6N25 A30 K31N25-S27 PolarHBondContact O-N 3.28Å; N25-S27 WeakPolarHBondContact OD1-CA 3.49Å; N25-S27 WeakPolarHBondContact OD1-CB 3.39Å; N25-S27 PolarHBondContact OD1-N 2.65Å; S27-A30 PolarHBondContact O-N 3.04Å; S27-K31 VanDerWaalsContact O-CG 3.26Å; S27-K31 WeakPolarHBondContact O-CG 3.43Å; S27-K31 PolarHBondContact O-N 2.91Å; S27-K31 WeakPolarHBondContact OG-CE 3.3Å; S27-K31 PolarHBondContact OG-NZ 2.78Å
28D84.1Confident73.7Confident4 Ų467.9 Ų67.92%0.02138%0.375CS..Hα-helixtrans-74.8-39.5-178.3-59.5-38.8000111.6L16 L24 N25 K31 A32L16-D28 WeakPolarHBondContact O-CB 3.33Å; L24-D28 HydrophobicContact CD2-CB 4.2Å; N25-D28 PolarHBondContact ND2-OD2 2.92Å; N25-D28 PolarHBondContact O-N 3.21Å; N25-D28 VanDerWaalsContact O-N 3.08Å; N25-D28 PolarHBondContact OD1-N 2.87Å; N25-D28 VanDerWaalsContact OD1-N 3.13Å; N25-D28 PolarHBondContact OD1-OD2 3.42Å; N25-D28 VanDerWaalsContact OD1-OD2 3.11Å; D28-K31 PolarHBondContact O-N 3.25Å; D28-K31 IonicContact OD1-NZ 3.44Å; D28-K31 PolarHBondContact OD1-NZ 2.68Å; D28-K31 VanDerWaalsContact OD1-NZ 3.11Å; D28-A32 WeakPolarHBondContact O-CB 3.49Å; D28-A32 PolarHBondContact O-N 2.88Å
29I76.6Confident72.6Confident17 Ų1767.8 Ų67.89%0.08738%0.376CS..Hα-helixtrans-64.3-40.9171-63.9166.4000110.7L24 N25 K31 A32 M33 I45 I49 I60L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 4.09Å; N25-I29 WeakPolarHBondContact O-CG1 3.39Å; N25-I29 PolarHBondContact O-N 3.25Å; I29-K31 PolarHBondContact O-N 3.43Å; I29-A32 WeakPolarHBondContact O-CB 3.4Å; I29-A32 PolarHBondContact O-N 3.43Å; I29-M33 HydrophobicContact CG2-CG 4.26Å; I29-M33 HydrophobicContact CG2-SD 3.61Å; I29-M33 WeakPolarHBondContact O-CB 3.42Å; I29-M33 VanDerWaalsContact O-CG 3.27Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.08Å; I29-I45 HydrophobicContact CB-CG2 4.41Å; I29-I45 HydrophobicContact CG2-CG2 4.23Å; I29-I49 HydrophobicContact CD1-CD1 3.99Å; I29-I49 HydrophobicContact CD1-CG1 3.44Å; I29-I49 VanDerWaalsContact CD1-CG1 3.44Å; I29-I60 HydrophobicContact CD1-CD1 3.59Å; I29-I60 HydrophobicContact CD1-CG1 4.06Å
30A74.8Confident71.7Confident27 Ų2763.6 Ų63.622%0.22336%0.355CS..Hα-helixtrans-59.5-46.1175.500000112A26 S27 M33 Q34 I45A26-A30 WeakPolarHBondContact O-CB 3.4Å; A26-A30 PolarHBondContact O-N 3.18Å; S27-A30 PolarHBondContact O-N 3.04Å; A30-M33 PolarHBondContact O-N 3.37Å; A30-Q34 VanDerWaalsContact O-CB 3.23Å; A30-Q34 WeakPolarHBondContact O-CB 3.23Å; A30-Q34 PolarHBondContact O-N 3.01Å; A30-I45 HydrophobicContact CB-CD1 3.46Å; A30-I45 VanDerWaalsContact CB-CD1 3.46Å; A30-I45 HydrophobicContact CB-CG1 4.22Å
31K73.2Confident71.5Confident90 Ų9060 Ų6039%0.39134%0.343SS..Hα-helixtrans-63.4-42.3177-69.6165.4-159.8153.60111.3S27 D28 I29 Q34 S35S27-K31 VanDerWaalsContact O-CG 3.26Å; S27-K31 WeakPolarHBondContact O-CG 3.43Å; S27-K31 PolarHBondContact O-N 2.91Å; S27-K31 WeakPolarHBondContact OG-CE 3.3Å; S27-K31 PolarHBondContact OG-NZ 2.78Å; D28-K31 PolarHBondContact O-N 3.25Å; D28-K31 IonicContact OD1-NZ 3.44Å; D28-K31 PolarHBondContact OD1-NZ 2.68Å; D28-K31 VanDerWaalsContact OD1-NZ 3.11Å; I29-K31 PolarHBondContact O-N 3.43Å; K31-Q34 PolarHBondContact O-N 3.39Å; K31-S35 PolarHBondContact O-N 3.01Å; K31-S35 PolarHBondContact O-OG 2.7Å
32A69.7Low71.1Confident12 Ų1262.2 Ų62.210%0.09936%0.355CS..Hα-helixtrans-59.2-51.1175.700000111.3L16 D28 I29 Q34 S35 I36L16-A32 HydrophobicContact CD1-CB 4.05Å; L16-A32 HydrophobicContact CD2-CB 3.43Å; L16-A32 VanDerWaalsContact CD2-CB 3.43Å; L16-A32 HydrophobicContact CG-CB 4.33Å; D28-A32 WeakPolarHBondContact O-CB 3.49Å; D28-A32 PolarHBondContact O-N 2.88Å; I29-A32 WeakPolarHBondContact O-CB 3.4Å; I29-A32 PolarHBondContact O-N 3.43Å; A32-Q34 VanDerWaalsContact C-N 3.33Å; A32-Q34 PolarHBondContact O-N 3.22Å; A32-S35 PolarHBondContact O-N 3.46Å; A32-S35 PolarHBondContact O-OG 3.16Å; A32-I36 WeakPolarHBondContact O-CG1 3.49Å; A32-I36 PolarHBondContact O-N 3.22Å
33M65.5Low70.9Confident30 Ų3066.9 Ų66.915%0.14837%0.371CS..Hα-helixtrans-66.5-35.6179.9-67.2172.280.400111.6I29 A30 S35 I36 K37 A40 E44 I45I29-M33 HydrophobicContact CG2-CG 4.26Å; I29-M33 HydrophobicContact CG2-SD 3.61Å; I29-M33 WeakPolarHBondContact O-CB 3.42Å; I29-M33 VanDerWaalsContact O-CG 3.27Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.08Å; A30-M33 PolarHBondContact O-N 3.37Å; M33-S35 VanDerWaalsContact C-N 3.32Å; M33-S35 PolarHBondContact O-N 3.01Å; M33-I36 PolarHBondContact O-N 3.37Å; M33-K37 WeakPolarHBondContact O-CG 3.46Å; M33-K37 PolarHBondContact O-N 3.31Å; M33-A40 HydrophobicContact CB-CB 3.62Å; M33-A40 HydrophobicContact CE-CB 4.1Å; M33-A40 HydrophobicContact SD-CB 4.22Å; M33-E44 HydrophobicContact CE-CB 4.08Å; M33-I45 HydrophobicContact SD-CG1 4.07Å
34Q65.2Low70Confident109 Ų10966 Ų6651%0.50937%0.371SS..Hα-helixtrans-63.5-38174.7-167.5169.725.800111.9A30 K31 A32 I36 G38A30-Q34 VanDerWaalsContact O-CB 3.23Å; A30-Q34 WeakPolarHBondContact O-CB 3.23Å; A30-Q34 PolarHBondContact O-N 3.01Å; K31-Q34 PolarHBondContact O-N 3.39Å; A32-Q34 VanDerWaalsContact C-N 3.33Å; A32-Q34 PolarHBondContact O-N 3.22Å; Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.15Å; Q34-G38 WeakPolarHBondContact CG-O 3.42Å; Q34-G38 VanDerWaalsContact O-CA 3.28Å; Q34-G38 WeakPolarHBondContact O-CA 3.39Å; Q34-G38 PolarHBondContact O-N 3.03Å
35S57.9Low69.5Low99 Ų9966.3 Ų66.369%0.69237%0.372SS*.Hα-helixtrans-69.3-22.1176.463.30000114.4K31 A32 M33K31-S35 PolarHBondContact O-N 3.01Å; K31-S35 PolarHBondContact O-OG 2.7Å; A32-S35 PolarHBondContact O-N 3.46Å; A32-S35 PolarHBondContact O-OG 3.16Å; M33-S35 VanDerWaalsContact C-N 3.32Å; M33-S35 PolarHBondContact O-N 3.01Å
36I48.3Very low69.1Low143 Ų14367.3 Ų67.373%0.73338%0.38SS*.Hα-helixtrans-96.2-38.1-178.9-63.4167.7000111.9A32 M33 Q34A32-I36 WeakPolarHBondContact O-CG1 3.49Å; A32-I36 PolarHBondContact O-N 3.22Å; M33-I36 PolarHBondContact O-N 3.37Å; Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.15Å
37K50.8Low68.8Low104 Ų10470.8 Ų70.845%0.45239%0.388SS..Hα-helixtrans-131.211.6-170.748.8172.7179.6167.90115.5M33 H39 E44M33-K37 WeakPolarHBondContact O-CG 3.46Å; M33-K37 PolarHBondContact O-N 3.31Å; K37-H39 PolarHBondContact O-N 2.84Å; K37-E44 IonicContact NZ-OE1 2.9Å; K37-E44 PolarHBondContact NZ-OE1 2.78Å
38G44.4Very low68.2Low54 Ų5469.3 Ų69.356%0.55738%0.38SS*.SBendtrans79.6-35.5170.500000115.9Q34Q34-G38 WeakPolarHBondContact CG-O 3.42Å; Q34-G38 VanDerWaalsContact O-CA 3.28Å; Q34-G38 WeakPolarHBondContact O-CA 3.39Å; Q34-G38 PolarHBondContact O-N 3.03Å
39H52.8Low68Low138 Ų13869.8 Ų69.864%0.63938%0.382SS*.  trans-155.3140.2169.9-170.833.7000110.8K37K37-H39 PolarHBondContact O-N 2.84Å
40A63.4Low68.2Low8 Ų877.8 Ų77.87%0.06641%0.411CS..  trans-124.5135.2172.900000109.1M33 I45M33-A40 HydrophobicContact CB-CB 3.62Å; M33-A40 HydrophobicContact CE-CB 4.1Å; M33-A40 HydrophobicContact SD-CB 4.22Å; A40-I45 HydrophobicContact CB-CD1 4.27Å; A40-I45 HydrophobicContact CB-CG1 4.17Å
41T76.4Confident68.1Low63 Ų6378.8 Ų78.839%0.38742%0.419SS..  trans-80154.1177.860.70000111.2D43 E44 I45T41-D43 PolarHBondContact O-N 2.97Å; T41-E44 PolarHBondContact N-OE2 2.9Å; T41-E44 PolarHBondContact O-N 3.13Å; T41-E44 VanDerWaalsContact O-N 3.12Å; T41-E44 VanDerWaalsContact OG1-CG 3.27Å; T41-E44 WeakPolarHBondContact OG1-CG 3.45Å; T41-E44 PolarHBondContact OG1-N 3.38Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; T41-I45 WeakPolarHBondContact O-CD1 3.34Å; T41-I45 WeakPolarHBondContact O-CG1 3.15Å; T41-I45 PolarHBondContact O-N 3.49Å
42N77.6Confident68.1Low131 Ų13177.9 Ų77.970%0.70141%0.414SS*.Hα-helixtrans-57.3-33.2176.8-73.7-15.8000112.3I45 T46N42-I45 PolarHBondContact O-N 2.97Å; N42-T46 VanDerWaalsContact O-CB 3.29Å; N42-T46 WeakPolarHBondContact O-CB 3.09Å; N42-T46 PolarHBondContact O-N 2.9Å; N42-T46 PolarHBondContact O-OG1 3.09Å
43D78.8Confident68.7Low134 Ų13478.5 Ų78.572%0.71742%0.416SS*.Hα-helixtrans-68.3-41.9177.4-67.5-19.4000111.5T41 I45 T46 E47T41-D43 PolarHBondContact O-N 2.97Å; D43-I45 PolarHBondContact O-N 2.88Å; D43-T46 PolarHBondContact O-N 3.04Å; D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.22Å; D43-E47 PolarHBondContact O-N 3.44Å
44E70.9Confident69.2Low79 Ų7982.7 Ų82.737%0.36944%0.438SS..Hα-helixtrans-65.1-38.1175.2-73.3171.5106.100112.5M33 K37 T41 A48M33-E44 HydrophobicContact CE-CB 4.08Å; K37-E44 IonicContact NZ-OE1 2.9Å; K37-E44 PolarHBondContact NZ-OE1 2.78Å; T41-E44 PolarHBondContact N-OE2 2.9Å; T41-E44 PolarHBondContact O-N 3.13Å; T41-E44 VanDerWaalsContact O-N 3.12Å; T41-E44 VanDerWaalsContact OG1-CG 3.27Å; T41-E44 WeakPolarHBondContact OG1-CG 3.45Å; T41-E44 PolarHBondContact OG1-N 3.38Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; E44-A48 VanDerWaalsContact O-CB 3.31Å; E44-A48 WeakPolarHBondContact O-CB 3.36Å; E44-A48 PolarHBondContact O-N 3.49Å
45I75.3Confident69.9Low8 Ų881.6 Ų81.64%0.04144%0.436CS..Hα-helixtrans-68.1-43.5176.7-64.3154.8000109.8A26 I29 A30 M33 A40 T41 N42 D43 E47 A48 I49A26-I45 HydrophobicContact CB-CG2 3.84Å; A26-I45 WeakPolarHBondContact O-CG2 3.45Å; I29-I45 HydrophobicContact CB-CG2 4.41Å; I29-I45 HydrophobicContact CG2-CG2 4.23Å; A30-I45 HydrophobicContact CB-CD1 3.46Å; A30-I45 VanDerWaalsContact CB-CD1 3.46Å; A30-I45 HydrophobicContact CB-CG1 4.22Å; M33-I45 HydrophobicContact SD-CG1 4.07Å; A40-I45 HydrophobicContact CB-CD1 4.27Å; A40-I45 HydrophobicContact CB-CG1 4.17Å; T41-I45 WeakPolarHBondContact O-CD1 3.34Å; T41-I45 WeakPolarHBondContact O-CG1 3.15Å; T41-I45 PolarHBondContact O-N 3.49Å; N42-I45 PolarHBondContact O-N 2.97Å; D43-I45 PolarHBondContact O-N 2.88Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3.18Å; I45-A48 PolarHBondContact O-N 3.43Å; I45-I49 HydrophobicContact CG2-CD1 4.11Å; I45-I49 WeakPolarHBondContact O-CG1 3.38Å; I45-I49 PolarHBondContact O-N 2.98Å
46T77.9Confident71.1Confident62 Ų6279.7 Ų79.738%0.3843%0.432SS..Hα-helixtrans-65.2-39.1178.4-56.90000111.2N42 D43 I49 R50N42-T46 VanDerWaalsContact O-CB 3.29Å; N42-T46 WeakPolarHBondContact O-CB 3.09Å; N42-T46 PolarHBondContact O-N 2.9Å; N42-T46 PolarHBondContact O-OG1 3.09Å; D43-T46 PolarHBondContact O-N 3.04Å; T46-I49 PolarHBondContact O-N 2.73Å; T46-R50 HydrophobicContact CG2-CG 4.42Å; T46-R50 VanDerWaalsContact O-CB 3.29Å; T46-R50 WeakPolarHBondContact O-CB 3.46Å; T46-R50 WeakPolarHBondContact O-CG 3.32Å; T46-R50 PolarHBondContact O-N 2.84Å
47E78.7Confident72.9Confident118 Ų11876 Ų7655%0.55141%0.413SS*.Hα-helixtrans-69.7-38.6176.3-16662.6-159.700111.5D43 I45 R50 A51D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.22Å; D43-E47 PolarHBondContact O-N 3.44Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3.18Å; E47-R50 PolarHBondContact O-N 3.18Å; E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 2.84Å
48A70.5Confident74.4Confident25 Ų2572.9 Ų72.921%0.20741%0.412CS..Hα-helixtrans-61.8-43.8172.900000111.5E44 I45 Y52E44-A48 VanDerWaalsContact O-CB 3.31Å; E44-A48 WeakPolarHBondContact O-CB 3.36Å; E44-A48 PolarHBondContact O-N 3.49Å; I45-A48 PolarHBondContact O-N 3.43Å; A48-Y52 WeakPolarHBondContact O-CD2 3.45Å
49I79.2Confident76.4Confident14 Ų1471.4 Ų71.47%0.07239%0.392CS..Hα-helixtrans-64.3-54.4174.2-67.1169.1000109.8A26 I29 I45 T46 A51 Y52 D53A26-I49 HydrophobicContact CB-CD1 3.67Å; I29-I49 HydrophobicContact CD1-CD1 3.99Å; I29-I49 HydrophobicContact CD1-CG1 3.44Å; I29-I49 VanDerWaalsContact CD1-CG1 3.44Å; I45-I49 HydrophobicContact CG2-CD1 4.11Å; I45-I49 WeakPolarHBondContact O-CG1 3.38Å; I45-I49 PolarHBondContact O-N 2.98Å; T46-I49 PolarHBondContact O-N 2.73Å; I49-A51 PolarHBondContact O-N 3.48Å; I49-A51 VanDerWaalsContact O-N 3.1Å; I49-Y52 CarbonylContact O-C 3.55Å; I49-Y52 PolarHBondContact O-N 2.97Å; I49-D53 HydrophobicContact CG2-CB 3.78Å; I49-D53 WeakPolarHBondContact O-CB 3.43Å; I49-D53 PolarHBondContact O-N 3.13Å
50R80.8Confident77.9Confident185 Ų18565 Ų6570%0.69836%0.362SS*.Hα-helixtrans-56.2-33.1-177.7-82.9-178.9174.61760.5114.6T46 E47 Y52T46-R50 HydrophobicContact CG2-CG 4.42Å; T46-R50 VanDerWaalsContact O-CB 3.29Å; T46-R50 WeakPolarHBondContact O-CB 3.46Å; T46-R50 WeakPolarHBondContact O-CG 3.32Å; T46-R50 PolarHBondContact O-N 2.84Å; E47-R50 PolarHBondContact O-N 3.18Å; R50-Y52 PolarHBondContact O-N 3.42Å
51A72.4Confident79Confident48 Ų4866.6 Ų66.640%0.39737%0.37SS..Hα-helixtrans-71-22.3-179.700000113E47 I49E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 2.84Å; I49-A51 PolarHBondContact O-N 3.48Å; I49-A51 VanDerWaalsContact O-N 3.1Å
52Y73Confident79Confident71 Ų7166.8 Ų66.828%0.27837%0.365SS..Hα-helixtrans-132.6-14.4-168.1-56.6-66.1000115.2A48 I49 R50 L54 E64 L68A48-Y52 WeakPolarHBondContact O-CD2 3.45Å; I49-Y52 CarbonylContact O-C 3.55Å; I49-Y52 PolarHBondContact O-N 2.97Å; R50-Y52 PolarHBondContact O-N 3.42Å; Y52-L54 VanDerWaalsContact C-N 3.31Å; Y52-L54 PolarHBondContact O-N 2.9Å; Y52-E64 WeakPolarHBondContact O-CB 3.43Å; Y52-E64 WeakPolarHBondContact O-CG 3.48Å; Y52-L68 HydrophobicContact CD1-CB 4.09Å; Y52-L68 HydrophobicContact CD1-CG 4.44Å; Y52-L68 HydrophobicContact CD2-CB 4.43Å; Y52-L68 HydrophobicContact CD2-CD1 3.58Å; Y52-L68 HydrophobicContact CD2-CG 4.07Å; Y52-L68 HydrophobicContact CE1-CB 4.41Å; Y52-L68 HydrophobicContact CE1-CG 4.47Å; Y52-L68 HydrophobicContact CE2-CD1 3.95Å; Y52-L68 HydrophobicContact CE2-CG 4.13Å; Y52-L68 HydrophobicContact CG-CB 4.11Å; Y52-L68 HydrophobicContact CG-CD1 4.03Å; Y52-L68 HydrophobicContact CG-CG 4.27Å
53D83.8Confident78.8Confident25 Ų2565.4 Ų65.413%0.13436%0.355CS..  trans-71.186.3164.9174.211.9000108.1I49 N55 G56 D57 G58I49-D53 HydrophobicContact CG2-CB 3.78Å; I49-D53 WeakPolarHBondContact O-CB 3.43Å; I49-D53 PolarHBondContact O-N 3.13Å; D53-N55 VanDerWaalsContact C-N 3.31Å; D53-N55 PolarHBondContact OD1-OD1 3.1Å; D53-N55 VanDerWaalsContact OD1-OD1 3.08Å; D53-G56 WeakPolarHBondContact OD1-CA 3.28Å; D53-G56 PolarHBondContact OD1-N 3.25Å; D53-G56 WeakPolarHBondContact OD2-CA 3.22Å; D53-D57 PolarHBondContact OD1-N 3.33Å; D53-D57 PolarHBondContact OD2-N 3.33Å; D53-G58 VanDerWaalsContact OD2-CA 3.29Å; D53-G58 WeakPolarHBondContact OD2-CA 3.34Å; D53-G58 PolarHBondContact OD2-N 3.24Å
54L75.1Confident79Confident118 Ų11859.4 Ų59.462%0.61832%0.322SS*.SBendtrans-76.2-26.4-174.1-64.2178.8000111.1Y52 E64Y52-L54 VanDerWaalsContact C-N 3.31Å; Y52-L54 PolarHBondContact O-N 2.9Å; L54-E64 HydrophobicContact CB-CG 4.39Å; L54-E64 HydrophobicContact CG-CG 4.4Å; L54-E64 PolarHBondContact N-OE1 3.11Å
55N79.5Confident79.2Confident86 Ų8656.4 Ų56.446%0.4631%0.308SS..SBendtrans-92.2-13.7-177.876.928.2000112.8D53 D57 E64D53-N55 VanDerWaalsContact C-N 3.31Å; D53-N55 PolarHBondContact OD1-OD1 3.1Å; D53-N55 VanDerWaalsContact OD1-OD1 3.08Å; N55-D57 PolarHBondContact ND2-OD2 3.2Å; N55-D57 WeakPolarHBondContact OD1-CB 3.37Å; N55-D57 PolarHBondContact OD1-N 3.44Å; N55-D57 PolarHBondContact OD1-OD1 3.18Å; N55-D57 PolarHBondContact OD1-OD2 3.2Å; N55-D57 VanDerWaalsContact OD1-OD2 3.09Å; N55-E64 PolarHBondContact N-OE1 3.36Å; N55-E64 VanDerWaalsContact N-OE1 3.12Å
56G83Confident78.7Confident60 Ų6057.4 Ų57.462%0.61931%0.313SS*.  trans77.222.5176.200000114.4D53 G58D53-G56 WeakPolarHBondContact OD1-CA 3.28Å; D53-G56 PolarHBondContact OD1-N 3.25Å; D53-G56 WeakPolarHBondContact OD2-CA 3.22Å; G56-G58 VanDerWaalsContact C-N 3.33Å
57D85.9Confident78.2Confident64 Ų6456.4 Ų56.434%0.34231%0.307SS..SBendtrans-86.7-2-176.673.724.5000114.3R23 D53 N55 T59R23-D57 IonicContact CZ-OD2 2.64Å; R23-D57 VanDerWaalsContact NH1-CG 3.32Å; R23-D57 IonicContact NH1-OD1 3.49Å; R23-D57 IonicContact NH1-OD2 3.33Å; R23-D57 PolarHBondContact NH1-OD2 3.37Å; R23-D57 IonicContact NH2-OD2 3.11Å; D53-D57 PolarHBondContact OD1-N 3.33Å; D53-D57 PolarHBondContact OD2-N 3.33Å; N55-D57 PolarHBondContact ND2-OD2 3.2Å; N55-D57 WeakPolarHBondContact OD1-CB 3.37Å; N55-D57 PolarHBondContact OD1-N 3.44Å; N55-D57 PolarHBondContact OD1-OD1 3.18Å; N55-D57 PolarHBondContact OD1-OD2 3.2Å; N55-D57 VanDerWaalsContact OD1-OD2 3.09Å; D57-T59 VanDerWaalsContact C-N 3.32Å; D57-T59 WeakPolarHBondContact OD1-CA 3.37Å; D57-T59 PolarHBondContact OD1-N 3.11Å; D57-T59 PolarHBondContact OD1-OG1 2.86Å
58G83Confident77.7Confident40 Ų4053.2 Ų53.241%0.41229%0.293SS..SBendtrans82.66.417800000114.2D53 G56D53-G58 VanDerWaalsContact OD2-CA 3.29Å; D53-G58 WeakPolarHBondContact OD2-CA 3.34Å; D53-G58 PolarHBondContact OD2-N 3.24Å; G56-G58 VanDerWaalsContact C-N 3.33Å
59T87.5Confident77.2Confident22 Ų2253.3 Ų53.314%0.13529%0.291CS..SBendtrans-126.5168.3174.961.40000110.7R23 N25 D57R23-T59 PolarHBondContact NH1-OG1 3.08Å; N25-T59 HydrophobicContact CB-CG2 4.13Å; D57-T59 VanDerWaalsContact C-N 3.32Å; D57-T59 WeakPolarHBondContact OD1-CA 3.37Å; D57-T59 PolarHBondContact OD1-N 3.11Å; D57-T59 PolarHBondContact OD1-OG1 2.86Å
60I84.2Confident76.2Confident4 Ų457.3 Ų57.32%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-112.7107.9171.9-63.9-179.2000107.5L24 I29 E64 F65L24-I60 HydrophobicContact CB-CB 4.27Å; L24-I60 PolarHBondContact N-O 3.04Å; L24-I60 PolarHBondContact O-N 3.1Å; I29-I60 HydrophobicContact CD1-CD1 3.59Å; I29-I60 HydrophobicContact CD1-CG1 4.06Å; I60-E64 WeakPolarHBondContact CA-OE2 3.43Å; I60-E64 HydrophobicContact CG2-CB 3.73Å; I60-F65 HydrophobicContact CG2-CB 3.85Å
61D85.5Confident75Confident42 Ų4255.7 Ų55.723%0.22530%0.304CS..EExtended strand (participates in β ladder)trans-71.7169.8172.374.934.2000111.8Q63 E64 F65D61-Q63 PolarHBondContact O-N 2.96Å; D61-Q63 VanDerWaalsContact O-N 3.16Å; D61-Q63 VanDerWaalsContact OD1-CA 3.32Å; D61-Q63 WeakPolarHBondContact OD1-CA 3.4Å; D61-Q63 VanDerWaalsContact OD1-CB 3.3Å; D61-Q63 WeakPolarHBondContact OD1-CB 3.41Å; D61-Q63 PolarHBondContact OD1-N 3.07Å; D61-E64 PolarHBondContact N-OE2 2.64Å; D61-E64 PolarHBondContact O-N 3.09Å; D61-E64 PolarHBondContact OD1-N 3.04Å; D61-F65 WeakPolarHBondContact O-CB 3.47Å; D61-F65 PolarHBondContact O-N 3.23Å
62F76.5Confident73.9Confident67 Ų6760.6 Ų60.629%0.29431%0.313SS..Hα-helixtrans-57.9-31.9-178.6-174.5-123.1000113I6 C9 F13 F65 L66I6-F62 HydrophobicContact CG2-CE1 4.32Å; I6-F62 HydrophobicContact CG2-CZ 4.31Å; C9-F62 HydrophobicContact CB-CE2 4.48Å; F13-F62 HydrophobicContact CB-CD2 3.62Å; F13-F62 HydrophobicContact CB-CE2 3.71Å; F13-F62 HydrophobicContact CD1-CB 4.36Å; F13-F62 AromaticContact CD1-CD2 3.83Å; F13-F62 HydrophobicContact CD1-CD2 3.83Å; F13-F62 HydrophobicContact CD1-CG 4.47Å; F13-F62 HydrophobicContact CD2-CB 4.44Å; F13-F62 AromaticContact CD2-CD2 3.68Å; F13-F62 HydrophobicContact CD2-CD2 3.68Å; F13-F62 HydrophobicContact CE1-CB 4.1Å; F13-F62 HydrophobicContact CE1-CD2 4.39Å; F13-F62 VanDerWaalsContact CE2-CA 3.49Å; F13-F62 HydrophobicContact CE2-CB 4.13Å; F13-F62 HydrophobicContact CE2-CD2 4.22Å; F13-F62 AromaticContact CG-CD2 3.43Å; F13-F62 HydrophobicContact CG-CD2 3.43Å; F13-F62 VanDerWaalsContact CG-CD2 3.43Å; F13-F62 HydrophobicContact CG-CE2 4.07Å; F13-F62 HydrophobicContact CG-CG 4.41Å; F13-F62 HydrophobicContact CZ-CB 3.96Å; F62-F65 HydrophobicContact CD2-CD1 4.3Å; F62-F65 HydrophobicContact CE2-CD1 4.34Å; F62-F65 PolarHBondContact O-N 3.31Å; F62-L66 HydrophobicContact CD1-CD1 4Å; F62-L66 HydrophobicContact CD1-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.68Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 4.15Å; F62-L66 HydrophobicContact CE2-CD2 4.23Å; F62-L66 HydrophobicContact CE2-CG 4.24Å; F62-L66 HydrophobicContact CZ-CD1 4.05Å; F62-L66 HydrophobicContact CZ-CD2 3.96Å; F62-L66 HydrophobicContact CZ-CG 4.06Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 VanDerWaalsContact O-CG 3.23Å; F62-L66 WeakPolarHBondContact O-CG 3.46Å; F62-L66 PolarHBondContact O-N 3.49Å
63Q74.2Confident72.6Confident102 Ų10259.6 Ų59.648%0.47732%0.316SS..Hα-helixtrans-77-36.9-178.9-169.5158.4-11.600111.8D61 L66 T67 N291D61-Q63 PolarHBondContact O-N 2.96Å; D61-Q63 VanDerWaalsContact O-N 3.16Å; D61-Q63 VanDerWaalsContact OD1-CA 3.32Å; D61-Q63 WeakPolarHBondContact OD1-CA 3.4Å; D61-Q63 VanDerWaalsContact OD1-CB 3.3Å; D61-Q63 WeakPolarHBondContact OD1-CB 3.41Å; D61-Q63 PolarHBondContact OD1-N 3.07Å; Q63-L66 PolarHBondContact O-N 3.46Å; Q63-T67 PolarHBondContact O-N 3.45Å; Q63-T67 PolarHBondContact O-OG1 2.87Å; Q63-N291 PolarHBondContact OE1-ND2 2.85Å
64E81.5Confident70.6Confident8 Ų862.6 Ų62.64%0.03734%0.338CS..Hα-helixtrans-64.7-40.5169.1-70.1171150.600111.1Y52 L54 N55 I60 D61 T67 L68Y52-E64 WeakPolarHBondContact O-CB 3.43Å; Y52-E64 WeakPolarHBondContact O-CG 3.48Å; L54-E64 HydrophobicContact CB-CG 4.39Å; L54-E64 HydrophobicContact CG-CG 4.4Å; L54-E64 PolarHBondContact N-OE1 3.11Å; N55-E64 PolarHBondContact N-OE1 3.36Å; N55-E64 VanDerWaalsContact N-OE1 3.12Å; I60-E64 WeakPolarHBondContact CA-OE2 3.43Å; I60-E64 HydrophobicContact CG2-CB 3.73Å; D61-E64 PolarHBondContact N-OE2 2.64Å; D61-E64 PolarHBondContact O-N 3.09Å; D61-E64 PolarHBondContact OD1-N 3.04Å; E64-T67 WeakPolarHBondContact O-CB 3.44Å; E64-T67 PolarHBondContact O-N 2.81Å; E64-L68 PolarHBondContact O-N 2.64Å
65F75.4Confident68.8Low16 Ų1661.7 Ų61.77%0.0734%0.341CS..Hα-helixtrans-63.8-42.9173.7-179.7-102.8000112.7C9 V12 F13 L16 L24 I60 D61 F62 T67 L68 V69C9-F65 HydrophobicContact CB-CE1 4.13Å; V12-F65 HydrophobicContact CB-CZ 4.41Å; V12-F65 HydrophobicContact CG1-CZ 3.86Å; F13-F65 HydrophobicContact CB-CD1 4.01Å; F13-F65 HydrophobicContact CB-CE1 3.98Å; F13-F65 HydrophobicContact CD2-CB 3.6Å; F13-F65 AromaticContact CD2-CD1 3.59Å; F13-F65 HydrophobicContact CD2-CD1 3.59Å; F13-F65 HydrophobicContact CD2-CD2 4.07Å; F13-F65 HydrophobicContact CD2-CE1 4.25Å; F13-F65 AromaticContact CD2-CG 3.49Å; F13-F65 HydrophobicContact CD2-CG 3.49Å; F13-F65 VanDerWaalsContact CD2-CG 3.49Å; F13-F65 HydrophobicContact CE2-CB 3.7Å; F13-F65 HydrophobicContact CE2-CG 4.09Å; F13-F65 HydrophobicContact CG-CD1 4.27Å; L16-F65 HydrophobicContact CD1-CE2 4.22Å; L24-F65 HydrophobicContact CD1-CD2 3.72Å; L24-F65 HydrophobicContact CD1-CE2 4.09Å; L24-F65 HydrophobicContact CD1-CG 4.39Å; I60-F65 HydrophobicContact CG2-CB 3.85Å; D61-F65 WeakPolarHBondContact O-CB 3.47Å; D61-F65 PolarHBondContact O-N 3.23Å; F62-F65 HydrophobicContact CD2-CD1 4.3Å; F62-F65 HydrophobicContact CE2-CD1 4.34Å; F62-F65 PolarHBondContact O-N 3.31Å; F65-T67 VanDerWaalsContact C-N 3.26Å; F65-T67 PolarHBondContact O-N 2.91Å; F65-L68 WeakPolarHBondContact O-CB 3.24Å; F65-L68 PolarHBondContact O-N 2.82Å; F65-L68 VanDerWaalsContact O-N 3.16Å; F65-V69 HydrophobicContact CD1-CG2 4.27Å; F65-V69 HydrophobicContact CE1-CG2 3.87Å; F65-V69 HydrophobicContact CE2-CG2 4.42Å; F65-V69 HydrophobicContact CZ-CG2 3.94Å; F65-V69 WeakPolarHBondContact O-CG2 3.37Å; F65-V69 PolarHBondContact O-N 2.9Å
66L64.9Low66.8Low29 Ų2959.1 Ų59.115%0.15233%0.327CS..Hα-helixtrans-62-36.5173.5-73.1175.5000111.4M1 I6 C9 F62 Q63 L68 V69 Q70M1-L66 HydrophobicContact CE-CD2 3.49Å; M1-L66 VanDerWaalsContact CE-CD2 3.49Å; M1-L66 HydrophobicContact SD-CD2 4.2Å; I6-L66 HydrophobicContact CG1-CD2 4.4Å; I6-L66 HydrophobicContact CG2-CD1 4.4Å; I6-L66 HydrophobicContact CG2-CD2 4.45Å; C9-L66 HydrophobicContact CB-CD2 3.61Å; F62-L66 HydrophobicContact CD1-CD1 4Å; F62-L66 HydrophobicContact CD1-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.68Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 4.15Å; F62-L66 HydrophobicContact CE2-CD2 4.23Å; F62-L66 HydrophobicContact CE2-CG 4.24Å; F62-L66 HydrophobicContact CZ-CD1 4.05Å; F62-L66 HydrophobicContact CZ-CD2 3.96Å; F62-L66 HydrophobicContact CZ-CG 4.06Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 VanDerWaalsContact O-CG 3.23Å; F62-L66 WeakPolarHBondContact O-CG 3.46Å; F62-L66 PolarHBondContact O-N 3.49Å; Q63-L66 PolarHBondContact O-N 3.46Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-V69 PolarHBondContact O-N 2.91Å; L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.3Å
67T67.3Low64.8Low41 Ų4158.4 Ų58.425%0.25232%0.32SS..Hα-helixtrans-64.7-38.9175.1-56.90000111.5Q63 E64 F65 R71Q63-T67 PolarHBondContact O-N 3.45Å; Q63-T67 PolarHBondContact O-OG1 2.87Å; E64-T67 WeakPolarHBondContact O-CB 3.44Å; E64-T67 PolarHBondContact O-N 2.81Å; F65-T67 VanDerWaalsContact C-N 3.26Å; F65-T67 PolarHBondContact O-N 2.91Å; T67-R71 WeakPolarHBondContact O-CB 3.41Å; T67-R71 PolarHBondContact O-N 3.15Å
68L68.2Low62.9Low50 Ų5062.9 Ų62.926%0.26234%0.339SS..Hα-helixtrans-61-52.3172.9179.1162.3000110.9Y52 E64 F65 L66 Q70 R71 Y72Y52-L68 HydrophobicContact CD1-CB 4.09Å; Y52-L68 HydrophobicContact CD1-CG 4.44Å; Y52-L68 HydrophobicContact CD2-CB 4.43Å; Y52-L68 HydrophobicContact CD2-CD1 3.58Å; Y52-L68 HydrophobicContact CD2-CG 4.07Å; Y52-L68 HydrophobicContact CE1-CB 4.41Å; Y52-L68 HydrophobicContact CE1-CG 4.47Å; Y52-L68 HydrophobicContact CE2-CD1 3.95Å; Y52-L68 HydrophobicContact CE2-CG 4.13Å; Y52-L68 HydrophobicContact CG-CB 4.11Å; Y52-L68 HydrophobicContact CG-CD1 4.03Å; Y52-L68 HydrophobicContact CG-CG 4.27Å; E64-L68 PolarHBondContact O-N 2.64Å; F65-L68 WeakPolarHBondContact O-CB 3.24Å; F65-L68 PolarHBondContact O-N 2.82Å; F65-L68 VanDerWaalsContact O-N 3.16Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L68-Q70 PolarHBondContact O-N 3.19Å; L68-R71 PolarHBondContact O-N 3.07Å; L68-Y72 PolarHBondContact O-N 3.21Å
69V59.9Low61.4Low27 Ų2765.4 Ų65.416%0.16434%0.343CS..Hα-helixtrans-64.3-42.7-179.41780000111.1M1 C9 F65 L66 R71 Y72 C73M1-V69 HydrophobicContact CE-CG1 4.2Å; M1-V69 HydrophobicContact SD-CB 4.24Å; M1-V69 HydrophobicContact SD-CG1 4.09Å; C9-V69 VanDerWaalsContact SG-CG1 3.59Å; F65-V69 HydrophobicContact CD1-CG2 4.27Å; F65-V69 HydrophobicContact CE1-CG2 3.87Å; F65-V69 HydrophobicContact CE2-CG2 4.42Å; F65-V69 HydrophobicContact CZ-CG2 3.94Å; F65-V69 WeakPolarHBondContact O-CG2 3.37Å; F65-V69 PolarHBondContact O-N 2.9Å; L66-V69 PolarHBondContact O-N 2.91Å; V69-R71 PolarHBondContact O-N 3.43Å; V69-Y72 PolarHBondContact O-N 3.28Å; V69-C73 WeakPolarHBondContact O-CB 3.49Å; V69-C73 PolarHBondContact O-N 3.41Å; V69-C73 PolarHBondContact O-SG 2.88Å; V69-C73 VanDerWaalsContact O-SG 3.36Å
70Q59.1Low59.5Low98 Ų9868.5 Ų68.546%0.45836%0.355SS..Hα-helixtrans-61.8-43.4178.4-175.3172.50.400111.4M1 L66 L68 Y72 C73 S74M1-Q70 HydrophobicContact CG-CB 4.41Å; M1-Q70 HydrophobicContact SD-CB 3.96Å; L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.3Å; L68-Q70 PolarHBondContact O-N 3.19Å; Q70-Y72 VanDerWaalsContact C-N 3.32Å; Q70-Y72 PolarHBondContact O-N 3.04Å; Q70-C73 PolarHBondContact O-N 3.49Å; Q70-S74 VanDerWaalsContact O-CB 3.28Å; Q70-S74 WeakPolarHBondContact O-CB 3.41Å; Q70-S74 PolarHBondContact O-N 3.24Å; Q70-S74 PolarHBondContact O-OG 2.83Å
71R54.7Low57.8Low152 Ų15274.5 Ų74.557%0.57438%0.384SS*.Hα-helixtrans-62.1-40.3174.8-97.6-179.4157129.3-5.4112.2T67 L68 V69 C75T67-R71 WeakPolarHBondContact O-CB 3.41Å; T67-R71 PolarHBondContact O-N 3.15Å; L68-R71 PolarHBondContact O-N 3.07Å; V69-R71 PolarHBondContact O-N 3.43Å; R71-C75 PolarHBondContact O-SG 3.32Å
72Y50.4Low56.4Low151 Ų15174 Ų7459%0.59238%0.381SS*.Hα-helixtrans-65.2-42.3177.6-163.9-98.4000111.9L68 V69 Q70 L76L68-Y72 PolarHBondContact O-N 3.21Å; V69-Y72 PolarHBondContact O-N 3.28Å; Q70-Y72 VanDerWaalsContact C-N 3.32Å; Q70-Y72 PolarHBondContact O-N 3.04Å; Y72-L76 WeakPolarHBondContact O-CG 3.45Å
73C45.4Very low55.7Low49 Ų4975.8 Ų75.833%0.33139%0.385SS..Hα-helixtrans-75-31.9178.5-66.20000113.8V69 Q70 C75 L76V69-C73 WeakPolarHBondContact O-CB 3.49Å; V69-C73 PolarHBondContact O-N 3.41Å; V69-C73 PolarHBondContact O-SG 2.88Å; V69-C73 VanDerWaalsContact O-SG 3.36Å; Q70-C73 PolarHBondContact O-N 3.49Å; C73-C75 PolarHBondContact O-N 2.77Å; C73-C75 VanDerWaalsContact O-N 3.08Å; C73-L76 WeakPolarHBondContact O-CB 3.32Å; C73-L76 PolarHBondContact O-N 2.86Å
74S41.3Very low54.7Low88 Ų8873 Ų7362%0.61538%0.376SS*.THydrogen-bonded Turntrans-67.9-8-178.8-55.50000114.3Q70Q70-S74 VanDerWaalsContact O-CB 3.28Å; Q70-S74 WeakPolarHBondContact O-CB 3.41Å; Q70-S74 PolarHBondContact O-N 3.24Å; Q70-S74 PolarHBondContact O-OG 2.83Å
75C38Very low53.4Low99 Ų9974.8 Ų74.867%0.66939%0.392SS*.THydrogen-bonded Turntrans-97.32.1-178.6-58.30000113.2R71 C73R71-C75 PolarHBondContact O-SG 3.32Å; C73-C75 PolarHBondContact O-N 2.77Å; C73-C75 VanDerWaalsContact O-N 3.08Å
76L36.4Very low52.9Low33 Ų3374.7 Ų74.717%0.17339%0.391CS..  trans-109.8123.3-165.9-58.3-174.4000108.9Y72 C73 Q80 V84Y72-L76 WeakPolarHBondContact O-CG 3.45Å; C73-L76 WeakPolarHBondContact O-CB 3.32Å; C73-L76 PolarHBondContact O-N 2.86Å; L76-Q80 HydrophobicContact CB-CB 3.36Å; L76-Q80 HydrophobicContact CB-CG 4.42Å; L76-Q80 HydrophobicContact CD1-CB 4.41Å; L76-Q80 HydrophobicContact CD2-CB 3.83Å; L76-Q80 VanDerWaalsContact CD2-CD 3.44Å; L76-Q80 HydrophobicContact CD2-CG 4.25Å; L76-Q80 HydrophobicContact CG-CB 4Å; L76-V84 HydrophobicContact CD1-CG2 3.55Å
77G42.3Very low52.9Low45 Ų4581.3 Ų81.346%0.46441%0.414SS..  trans-70.2175.8169.600000111.7D79 Q80 E81G77-D79 PolarHBondContact O-N 3.46Å; G77-D79 VanDerWaalsContact O-N 3.13Å; G77-Q80 WeakPolarHBondContact O-CA 3.33Å; G77-Q80 WeakPolarHBondContact O-CB 3.17Å; G77-Q80 PolarHBondContact O-N 3.2Å; G77-E81 PolarHBondContact O-N 3.43Å; G77-E81 VanDerWaalsContact O-N 3.12Å
78E45.5Very low52.5Low157 Ų15782.2 Ų82.273%0.73442%0.417SS*.Hα-helixtrans-49.4-40.1177.2-71.5173.5170.100112.2Q80 E81 L82E78-Q80 PolarHBondContact O-N 3.07Å; E78-E81 PolarHBondContact O-N 2.99Å; E78-L82 PolarHBondContact O-N 2.75Å
79D52.4Low52.3Low93 Ų9381.1 Ų81.150%0.49741%0.411SS..Hα-helixtrans-63.8-14.5173-101.130.3000115.4G77 R83 F135G77-D79 PolarHBondContact O-N 3.46Å; G77-D79 VanDerWaalsContact O-N 3.13Å; D79-R83 WeakPolarHBondContact O-CB 2.91Å; D79-R83 PolarHBondContact O-NE 3.26Å; D79-F135 WeakPolarHBondContact O-CZ 3.31Å
80Q47.3Very low53.1Low87 Ų8780.4 Ų80.441%0.40741%0.406SS..Hα-helixtrans-106.6-24.9-179.8-69.5-150.965.200112.5L76 G77 E78 R83 V84L76-Q80 HydrophobicContact CB-CB 3.36Å; L76-Q80 HydrophobicContact CB-CG 4.42Å; L76-Q80 HydrophobicContact CD1-CB 4.41Å; L76-Q80 HydrophobicContact CD2-CB 3.83Å; L76-Q80 VanDerWaalsContact CD2-CD 3.44Å; L76-Q80 HydrophobicContact CD2-CG 4.25Å; L76-Q80 HydrophobicContact CG-CB 4Å; G77-Q80 WeakPolarHBondContact O-CA 3.33Å; G77-Q80 WeakPolarHBondContact O-CB 3.17Å; G77-Q80 PolarHBondContact O-N 3.2Å; E78-Q80 PolarHBondContact O-N 3.07Å; Q80-R83 PolarHBondContact O-N 3.18Å; Q80-V84 WeakPolarHBondContact O-CG2 3.43Å; Q80-V84 PolarHBondContact O-N 3.29Å
81E48.4Very low53.8Low131 Ų13179.6 Ų79.661%0.61240%0.399SS*.Hα-helixtrans-64.5-46.8166.3-71.1-175.3171.900110.9G77 E78 R83 V84 A85G77-E81 PolarHBondContact O-N 3.43Å; G77-E81 VanDerWaalsContact O-N 3.12Å; E78-E81 PolarHBondContact O-N 2.99Å; E81-R83 PolarHBondContact O-N 2.9Å; E81-V84 PolarHBondContact O-N 2.79Å; E81-V84 VanDerWaalsContact O-N 3.15Å; E81-A85 PolarHBondContact O-N 2.9Å
82L55.3Low54.9Low32 Ų3276.2 Ų76.217%0.16839%0.392CS..Hα-helixtrans-59.9-34.4171.7-69.3174000111.7E78 V84 A85 F86 F135 V139 E142E78-L82 PolarHBondContact O-N 2.75Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-A85 PolarHBondContact O-N 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 2.86Å; L82-F135 HydrophobicContact CB-CE2 4.05Å; L82-F135 HydrophobicContact CB-CZ 4.3Å; L82-V139 HydrophobicContact CD1-CB 4.44Å; L82-V139 HydrophobicContact CD1-CG2 3.84Å; L82-E142 WeakPolarHBondContact CD2-OE2 3.27Å
83R60.9Low56Low103 Ų10373.9 Ų73.939%0.38940%0.397SS..Hα-helixtrans-73-29.5179.8-149.1175.6-75.7-106.15.3112.3D79 Q80 E81 R87 F135D79-R83 WeakPolarHBondContact O-CB 2.91Å; D79-R83 PolarHBondContact O-NE 3.26Å; Q80-R83 PolarHBondContact O-N 3.18Å; E81-R83 PolarHBondContact O-N 2.9Å; R83-R87 VanDerWaalsContact O-CG 3.27Å; R83-R87 WeakPolarHBondContact O-CG 3.4Å; R83-R87 PolarHBondContact O-N 2.85Å; R83-F135 VanDerWaalsContact CA-CE2 3.47Å; R83-F135 HydrophobicContact CB-CE2 3.76Å; R83-F135 HydrophobicContact CB-CZ 4Å; R83-F135 HydrophobicContact CG-CD2 4.36Å; R83-F135 HydrophobicContact CG-CE2 3.9Å; R83-F135 HydrophobicContact CG-CZ 4.12Å
84V53.2Low57.9Low45 Ų4575 Ų7527%0.27340%0.4SS..Hα-helixtrans-74.9-45.6171.41710000110.4L76 Q80 E81 L82 F86 R87 I88L76-V84 HydrophobicContact CD1-CG2 3.55Å; Q80-V84 WeakPolarHBondContact O-CG2 3.43Å; Q80-V84 PolarHBondContact O-N 3.29Å; E81-V84 PolarHBondContact O-N 2.79Å; E81-V84 VanDerWaalsContact O-N 3.15Å; L82-V84 VanDerWaalsContact C-N 3.35Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 2.82Å; V84-R87 PolarHBondContact O-N 2.88Å; V84-I88 HydrophobicContact CG1-CD1 3.91Å; V84-I88 VanDerWaalsContact O-CG1 3.3Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 3.21Å
85A56Low59.8Low45 Ų4572.5 Ų72.537%0.37239%0.387SS..Hα-helixtrans-60.2-42.8175.200000111.8E81 L82 R87 I88 L89E81-A85 PolarHBondContact O-N 2.9Å; L82-A85 PolarHBondContact O-N 3.31Å; A85-R87 PolarHBondContact O-N 2.94Å; A85-I88 PolarHBondContact O-N 3.05Å; A85-I88 VanDerWaalsContact O-N 3.11Å; A85-L89 PolarHBondContact O-N 3.38Å; A85-L89 VanDerWaalsContact O-N 3.12Å
86F63.4Low62.3Low13 Ų1370.8 Ų70.86%0.05737%0.369CS..Hα-helixtrans-57.8-46.8175.2-168.6-86.3000111.4L82 V84 I88 L89 D90 G95 I97 L133 N134 F135 V138L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 2.86Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 2.82Å; F86-I88 VanDerWaalsContact C-N 3.28Å; F86-I88 PolarHBondContact O-N 2.97Å; F86-L89 PolarHBondContact O-N 3.29Å; F86-D90 HydrophobicContact CD1-CB 4.26Å; F86-D90 HydrophobicContact CE1-CB 4.12Å; F86-D90 VanDerWaalsContact O-CB 3.22Å; F86-D90 WeakPolarHBondContact O-CB 3.3Å; F86-D90 PolarHBondContact O-N 3.17Å; F86-G95 WeakPolarHBondContact CE1-O 3.33Å; F86-G95 WeakPolarHBondContact CZ-O 3.46Å; F86-I97 HydrophobicContact CD2-CD1 3.52Å; F86-I97 HydrophobicContact CD2-CG1 4.12Å; F86-I97 HydrophobicContact CE2-CD1 3.64Å; F86-I97 HydrophobicContact CE2-CG1 3.81Å; F86-I97 HydrophobicContact CG-CD1 4.13Å; F86-I97 HydrophobicContact CZ-CD1 4.34Å; F86-I97 HydrophobicContact CZ-CG1 4.05Å; F86-L133 WeakPolarHBondContact CE2-O 3.46Å; F86-L133 WeakPolarHBondContact CZ-O 3.32Å; F86-N134 VanDerWaalsContact CE2-C 3.43Å; F86-F135 HydrophobicContact CB-CD2 3.94Å; F86-F135 HydrophobicContact CB-CE2 4.39Å; F86-F135 HydrophobicContact CD1-CD2 4.47Å; F86-F135 HydrophobicContact CD2-CB 4.29Å; F86-F135 HydrophobicContact CD2-CD2 4.02Å; F86-F135 VanDerWaalsContact CE2-CA 3.49Å; F86-F135 HydrophobicContact CE2-CB 4.21Å; F86-F135 VanDerWaalsContact CE2-N 3.33Å; F86-F135 AromaticContact CG-CD2 3.88Å; F86-F135 HydrophobicContact CG-CD2 3.88Å; F86-F135 HydrophobicContact CZ-CB 4.34Å; F86-V138 HydrophobicContact CD2-CB 4.18Å; F86-V138 HydrophobicContact CD2-CG2 3.73Å; F86-V138 HydrophobicContact CE2-CG2 3.75Å
87R65Low64.5Low168 Ų16869.4 Ų69.463%0.63436%0.361SS*.Hα-helixtrans-66.8-24.1176.3-76.7176.4179-178.20.8114.6R83 V84 A85R83-R87 VanDerWaalsContact O-CG 3.27Å; R83-R87 WeakPolarHBondContact O-CG 3.4Å; R83-R87 PolarHBondContact O-N 2.85Å; V84-R87 PolarHBondContact O-N 2.88Å; A85-R87 PolarHBondContact O-N 2.94Å
88I60.1Low66.8Low60 Ų6069.4 Ų69.431%0.30835%0.351SS..Hα-helixtrans-76.9-34176.8-71.4165.8000110.4V84 A85 F86 R91V84-I88 HydrophobicContact CG1-CD1 3.91Å; V84-I88 VanDerWaalsContact O-CG1 3.3Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 3.21Å; A85-I88 PolarHBondContact O-N 3.05Å; A85-I88 VanDerWaalsContact O-N 3.11Å; F86-I88 VanDerWaalsContact C-N 3.28Å; F86-I88 PolarHBondContact O-N 2.97Å; I88-R91 VanDerWaalsContact O-CZ 3.29Å; I88-R91 PolarHBondContact O-NH1 2.83Å
89L63.3Low68.9Low28 Ų2863.2 Ų63.215%0.14732%0.324CS..Hα-helixtrans-85.9-38.2-179.8-66175.5000112.5A85 F86 R91 I97 D101 L102A85-L89 PolarHBondContact O-N 3.38Å; A85-L89 VanDerWaalsContact O-N 3.12Å; F86-L89 PolarHBondContact O-N 3.29Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.3Å; L89-I97 HydrophobicContact CB-CD1 3.66Å; L89-I97 HydrophobicContact CB-CG1 4.01Å; L89-I97 HydrophobicContact CB-CG2 4.27Å; L89-I97 HydrophobicContact CD1-CD1 4.08Å; L89-D101 CarbonylContact O-C 3.53Å; L89-D101 VanDerWaalsContact O-CB 3.29Å; L89-D101 WeakPolarHBondContact O-CB 3.4Å; L89-L102 HydrophobicContact CD1-CD1 4.32Å; L89-L102 HydrophobicContact CD2-CD1 4.45Å
90D77.2Confident70.7Confident11 Ų1163.3 Ų63.36%0.05932%0.324CS..  trans-70.181.1173.6176.45.3000110.1F86 N92 C93 D94 G95 F96 I97F86-D90 HydrophobicContact CD1-CB 4.26Å; F86-D90 HydrophobicContact CE1-CB 4.12Å; F86-D90 VanDerWaalsContact O-CB 3.22Å; F86-D90 WeakPolarHBondContact O-CB 3.3Å; F86-D90 PolarHBondContact O-N 3.17Å; D90-N92 PolarHBondContact OD1-OD1 3.18Å; D90-N92 VanDerWaalsContact OD1-OD1 3.13Å; D90-C93 PolarHBondContact O-N 3.23Å; D90-C93 WeakPolarHBondContact OD1-CA 3.18Å; D90-C93 PolarHBondContact OD1-N 2.95Å; D90-D94 PolarHBondContact OD1-N 3.43Å; D90-D94 VanDerWaalsContact OD1-N 3.09Å; D90-G95 WeakPolarHBondContact OD2-CA 3.35Å; D90-G95 PolarHBondContact OD2-N 3.23Å; D90-F96 VanDerWaalsContact CG-O 3.29Å; D90-I97 HydrophobicContact CB-CG1 4.22Å
91R73.8Confident72.5Confident81 Ų8159.5 Ų59.531%0.30631%0.307SS..SBendtrans-71.7-36.5-171.3-69-63.8-171.4-164.5-10.5111.8I88 L89 C93 D101 E104I88-R91 VanDerWaalsContact O-CZ 3.29Å; I88-R91 PolarHBondContact O-NH1 2.83Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.3Å; R91-C93 VanDerWaalsContact C-N 3.28Å; R91-D101 WeakPolarHBondContact CB-OD1 3.25Å; R91-D101 PolarHBondContact N-OD1 3.33Å; R91-E104 HydrophobicContact CG-CB 4.28Å
92N78.1Confident73.9Confident81 Ų8153.6 Ų53.643%0.43328%0.279SS..SBendtrans-82.2-7.7178.867.533.6000112.7D90 D94 D101D90-N92 PolarHBondContact OD1-OD1 3.18Å; D90-N92 VanDerWaalsContact OD1-OD1 3.13Å; N92-D94 PolarHBondContact O-N 2.9Å; N92-D94 WeakPolarHBondContact OD1-CB 3.49Å; N92-D94 PolarHBondContact OD1-N 3.14Å; N92-D94 PolarHBondContact OD1-OD1 3.42Å; N92-D101 PolarHBondContact N-OD1 3.34Å; N92-D101 PolarHBondContact ND2-OD2 3.35Å
93C73.3Confident75.3Confident102 Ų10254.9 Ų54.969%0.68928%0.283SS*.  trans58.128.9180-65.30000113.5D90 R91 G95D90-C93 PolarHBondContact O-N 3.23Å; D90-C93 WeakPolarHBondContact OD1-CA 3.18Å; D90-C93 PolarHBondContact OD1-N 2.95Å; R91-C93 VanDerWaalsContact C-N 3.28Å; C93-G95 PolarHBondContact O-N 2.85Å
94D84.5Confident76.1Confident74 Ų7454.9 Ų54.940%0.39629%0.288SS..SBendtrans-80.8-4.2178.587.3-14.5000112.8D90 N92 F96 K132D90-D94 PolarHBondContact OD1-N 3.43Å; D90-D94 VanDerWaalsContact OD1-N 3.09Å; N92-D94 PolarHBondContact O-N 2.9Å; N92-D94 WeakPolarHBondContact OD1-CB 3.49Å; N92-D94 PolarHBondContact OD1-N 3.14Å; N92-D94 PolarHBondContact OD1-OD1 3.42Å; D94-F96 WeakPolarHBondContact O-CD2 3.08Å; D94-F96 WeakPolarHBondContact OD1-CA 3.27Å; D94-F96 WeakPolarHBondContact OD1-CB 3.5Å; D94-F96 PolarHBondContact OD1-N 3.37Å; D94-K132 IonicContact OD2-NZ 2.72Å
95G82.5Confident76.7Confident34 Ų3452.7 Ų52.735%0.35128%0.275SS..SBendtrans89.27.8-179.600000113.8F86 D90 C93F86-G95 WeakPolarHBondContact CE1-O 3.33Å; F86-G95 WeakPolarHBondContact CZ-O 3.46Å; D90-G95 WeakPolarHBondContact OD2-CA 3.35Å; D90-G95 PolarHBondContact OD2-N 3.23Å; C93-G95 PolarHBondContact O-N 2.85Å
96F88.5Confident77.1Confident64 Ų6452.3 Ų52.328%0.28127%0.266SS..EExtended strand (participates in β ladder)trans-129.7155.7177.4-56.3-93.9000110D90 D94 K132 L133 N134D90-F96 VanDerWaalsContact CG-O 3.29Å; D94-F96 WeakPolarHBondContact O-CD2 3.08Å; D94-F96 WeakPolarHBondContact OD1-CA 3.27Å; D94-F96 WeakPolarHBondContact OD1-CB 3.5Å; D94-F96 PolarHBondContact OD1-N 3.37Å; F96-K132 HydrophobicContact CB-CB 3.88Å; F96-K132 HydrophobicContact CB-CD 3.69Å; F96-K132 HydrophobicContact CB-CG 4.48Å; F96-K132 HydrophobicContact CD1-CB 4.26Å; F96-K132 HydrophobicContact CD1-CD 4.01Å; F96-K132 HydrophobicContact CD2-CD 4.42Å; F96-K132 HydrophobicContact CG-CB 4.41Å; F96-K132 HydrophobicContact CG-CD 3.79Å; F96-L133 CarbonylContact C-O 3.57Å; F96-L133 WeakPolarHBondContact CA-O 3.34Å; F96-N134 HydrophobicContact CD1-CB 3.85Å; F96-N134 HydrophobicContact CE1-CB 3.83Å
97I83.8Confident77.4Confident3 Ų358.2 Ų58.22%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-109110.6169-59.9166.5000106.8F86 L89 D90 D101 L102 I122 L133 V138F86-I97 HydrophobicContact CD2-CD1 3.52Å; F86-I97 HydrophobicContact CD2-CG1 4.12Å; F86-I97 HydrophobicContact CE2-CD1 3.64Å; F86-I97 HydrophobicContact CE2-CG1 3.81Å; F86-I97 HydrophobicContact CG-CD1 4.13Å; F86-I97 HydrophobicContact CZ-CD1 4.34Å; F86-I97 HydrophobicContact CZ-CG1 4.05Å; L89-I97 HydrophobicContact CB-CD1 3.66Å; L89-I97 HydrophobicContact CB-CG1 4.01Å; L89-I97 HydrophobicContact CB-CG2 4.27Å; L89-I97 HydrophobicContact CD1-CD1 4.08Å; D90-I97 HydrophobicContact CB-CG1 4.22Å; I97-D101 HydrophobicContact CG2-CB 4.04Å; I97-L102 HydrophobicContact CG2-CB 4.01Å; I97-L102 HydrophobicContact CG2-CD1 4.45Å; I97-I122 HydrophobicContact CG2-CD1 4.39Å; I97-I122 WeakPolarHBondContact O-CD1 3.32Å; I97-L133 HydrophobicContact CB-CB 4.35Å; I97-L133 PolarHBondContact N-O 3.44Å; I97-L133 PolarHBondContact O-N 3.27Å; I97-V138 HydrophobicContact CD1-CG2 4.15Å
98D91.1Very high77Confident45 Ų4554.3 Ų54.324%0.24128%0.284CS..  trans-91.7-174.5171.372.929.1000112.6D100 D101 L102D98-D100 VanDerWaalsContact C-N 3.32Å; D98-D100 PolarHBondContact O-N 3.31Å; D98-D100 WeakPolarHBondContact OD1-CA 3.14Å; D98-D100 WeakPolarHBondContact OD1-CB 3.34Å; D98-D100 PolarHBondContact OD1-N 3.26Å; D98-D101 VanDerWaalsContact CG-OD2 3.28Å; D98-D101 PolarHBondContact N-OD2 3.37Å; D98-D101 VanDerWaalsContact N-OD2 3.16Å; D98-D101 PolarHBondContact OD1-N 3.36Å; D98-L102 WeakPolarHBondContact O-CB 3.2Å; D98-L102 PolarHBondContact O-N 2.87Å
99V89.3Confident76.5Confident27 Ų2754.1 Ų54.116%0.16428%0.283CS..Hα-helixtrans-64.4-37.7-179174.70000111.7K103 A118 Q119 I122V99-K103 HydrophobicContact CG1-CD 4.14Å; V99-K103 WeakPolarHBondContact O-CB 3.31Å; V99-K103 VanDerWaalsContact O-CG 3.3Å; V99-K103 WeakPolarHBondContact O-CG 3.42Å; V99-K103 PolarHBondContact O-N 3.03Å; V99-A118 HydrophobicContact CG1-CB 3.95Å; V99-Q119 HydrophobicContact CG2-CB 4.37Å; V99-Q119 HydrophobicContact CG2-CG 4.44Å; V99-I122 HydrophobicContact CG2-CG1 4.06Å
100D90.3Very high75.7Confident96 Ų9655.7 Ų55.751%0.51331%0.307SS..Hα-helixtrans-74.7-44.4-177.9-70-35.9000110.2D98 L102 K103 E104D98-D100 VanDerWaalsContact C-N 3.32Å; D98-D100 PolarHBondContact O-N 3.31Å; D98-D100 WeakPolarHBondContact OD1-CA 3.14Å; D98-D100 WeakPolarHBondContact OD1-CB 3.34Å; D98-D100 PolarHBondContact OD1-N 3.26Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-L102 PolarHBondContact O-N 3.25Å; D100-K103 PolarHBondContact O-N 3.41Å; D100-E104 WeakPolarHBondContact O-CB 3.27Å; D100-E104 WeakPolarHBondContact O-CG 3.39Å; D100-E104 PolarHBondContact O-N 2.81Å
101D84.6Confident75Confident6 Ų661.6 Ų61.63%0.03234%0.336CS..Hα-helixtrans-52.1-47.3171.5-76.2-42.3000111.7L89 R91 N92 I97 D98 G105L89-D101 CarbonylContact O-C 3.53Å; L89-D101 VanDerWaalsContact O-CB 3.29Å; L89-D101 WeakPolarHBondContact O-CB 3.4Å; R91-D101 WeakPolarHBondContact CB-OD1 3.25Å; R91-D101 PolarHBondContact N-OD1 3.33Å; N92-D101 PolarHBondContact N-OD1 3.34Å; N92-D101 PolarHBondContact ND2-OD2 3.35Å; I97-D101 HydrophobicContact CG2-CB 4.04Å; D98-D101 VanDerWaalsContact CG-OD2 3.28Å; D98-D101 PolarHBondContact N-OD2 3.37Å; D98-D101 VanDerWaalsContact N-OD2 3.16Å; D98-D101 PolarHBondContact OD1-N 3.36Å; D101-G105 WeakPolarHBondContact O-CA 3.48Å; D101-G105 PolarHBondContact O-N 3.13Å
102L78.5Confident74.6Confident8 Ų862.5 Ų62.54%0.04235%0.352CS..Hα-helixtrans-68.2-41.9-179.6-173.262.5000112.3L89 I97 D98 D100 G105 M106 A118 M121 I122L89-L102 HydrophobicContact CD1-CD1 4.32Å; L89-L102 HydrophobicContact CD2-CD1 4.45Å; I97-L102 HydrophobicContact CG2-CB 4.01Å; I97-L102 HydrophobicContact CG2-CD1 4.45Å; D98-L102 WeakPolarHBondContact O-CB 3.2Å; D98-L102 PolarHBondContact O-N 2.87Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-L102 PolarHBondContact O-N 3.25Å; L102-G105 PolarHBondContact O-N 3.39Å; L102-M106 HydrophobicContact CD1-CE 3.71Å; L102-M106 HydrophobicContact CD1-CG 4.1Å; L102-M106 HydrophobicContact CG-CG 4.39Å; L102-M106 VanDerWaalsContact O-CB 3.29Å; L102-M106 WeakPolarHBondContact O-CB 3.38Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 3.01Å; L102-A118 HydrophobicContact CD2-CB 4.27Å; L102-M121 HydrophobicContact CD2-CB 3.84Å; L102-M121 HydrophobicContact CD2-CE 4.28Å; L102-M121 HydrophobicContact CD2-SD 4.28Å; L102-I122 HydrophobicContact CD2-CD1 4.02Å; L102-I122 HydrophobicContact CD2-CG1 4.21Å
103K83.7Confident74.3Confident58 Ų5860.2 Ų60.225%0.25234%0.341SS..Hα-helixtrans-64.1-50.6177.8-78.9172.363.6-159.70111.9V99 D100 G105 M106 E107 V113 D115 A118V99-K103 HydrophobicContact CG1-CD 4.14Å; V99-K103 WeakPolarHBondContact O-CB 3.31Å; V99-K103 VanDerWaalsContact O-CG 3.3Å; V99-K103 WeakPolarHBondContact O-CG 3.42Å; V99-K103 PolarHBondContact O-N 3.03Å; D100-K103 PolarHBondContact O-N 3.41Å; K103-G105 VanDerWaalsContact C-N 3.3Å; K103-G105 PolarHBondContact O-N 3.45Å; K103-M106 PolarHBondContact O-N 3.29Å; K103-E107 WeakPolarHBondContact O-CB 3.27Å; K103-E107 PolarHBondContact O-N 2.72Å; K103-V113 HydrophobicContact CG-CG2 4.16Å; K103-D115 WeakPolarHBondContact CD-OD1 3.28Å; K103-D115 WeakPolarHBondContact CE-OD1 3.28Å; K103-D115 IonicContact NZ-OD1 3.57Å; K103-D115 PolarHBondContact NZ-OD1 3.33Å; K103-A118 HydrophobicContact CD-CB 4.34Å; K103-A118 HydrophobicContact CG-CB 3.73Å
104E77.3Confident74.7Confident103 Ų10357.5 Ų57.548%0.48132%0.323SS..Hα-helixtrans-63.2-40.6177.9-70.2-173.8-173.100111R91 D100 I108R91-E104 HydrophobicContact CG-CB 4.28Å; D100-E104 WeakPolarHBondContact O-CB 3.27Å; D100-E104 WeakPolarHBondContact O-CG 3.39Å; D100-E104 PolarHBondContact O-N 2.81Å; E104-I108 WeakPolarHBondContact O-CB 3.5Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.9Å; E104-I108 VanDerWaalsContact O-N 3.15Å
105G66.3Low74.8Confident0 Ų057.8 Ų57.80%033%0.325CS..Hα-helixtrans-54.1-52.9172.700000112.5D101 L102 K103 I108 L109D101-G105 WeakPolarHBondContact O-CA 3.48Å; D101-G105 PolarHBondContact O-N 3.13Å; L102-G105 PolarHBondContact O-N 3.39Å; K103-G105 VanDerWaalsContact C-N 3.3Å; K103-G105 PolarHBondContact O-N 3.45Å; G105-I108 PolarHBondContact O-N 2.97Å; G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 2.78Å
106M64.6Low74.9Confident37 Ų3762.8 Ų62.818%0.18234%0.339CS..Hα-helixtrans-74.5-32-175.6-69.5-67.5178.200113.5L102 K103 I108 L109 G110 M111 V113 M121L102-M106 HydrophobicContact CD1-CE 3.71Å; L102-M106 HydrophobicContact CD1-CG 4.1Å; L102-M106 HydrophobicContact CG-CG 4.39Å; L102-M106 VanDerWaalsContact O-CB 3.29Å; L102-M106 WeakPolarHBondContact O-CB 3.38Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 3.01Å; K103-M106 PolarHBondContact O-N 3.29Å; M106-I108 VanDerWaalsContact C-N 3.33Å; M106-L109 CarbonylContact O-C 3.59Å; M106-L109 PolarHBondContact O-N 2.87Å; M106-L109 VanDerWaalsContact O-N 3.17Å; M106-L109 HydrophobicContact SD-CD1 4.16Å; M106-G110 PolarHBondContact O-N 3.28Å; M106-M111 CarbonylContact C-O 3.55Å; M106-M111 WeakPolarHBondContact CB-O 3.39Å; M106-M111 CarbonylContact O-C 3.45Å; M106-M111 PolarHBondContact O-N 3.03Å; M106-V113 HydrophobicContact CB-CG1 4.45Å; M106-V113 HydrophobicContact CB-CG2 4.07Å; M106-V113 HydrophobicContact CG-CG2 4.32Å; M106-M121 HydrophobicContact CE-CE 4.17Å
107E69Low74.2Confident137 Ų13764.9 Ų64.964%0.6435%0.349SS*.Hα-helixtrans-62.3-42.5171.2-174.7169.5-167.700111.2K103 L109 G110K103-E107 WeakPolarHBondContact O-CB 3.27Å; K103-E107 PolarHBondContact O-N 2.72Å; E107-L109 PolarHBondContact O-N 2.71Å; E107-G110 PolarHBondContact O-N 3.24Å
108I58.4Low74Confident85 Ų8564.7 Ų64.744%0.43635%0.349SS..Hα-helixtrans-66.2-25.6176-72.6168000112.1E104 G105 M106 G110E104-I108 WeakPolarHBondContact O-CB 3.5Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.9Å; E104-I108 VanDerWaalsContact O-N 3.15Å; G105-I108 PolarHBondContact O-N 2.97Å; M106-I108 VanDerWaalsContact C-N 3.33Å; I108-G110 VanDerWaalsContact C-N 3.29Å
109L48.4Very low73.7Confident56 Ų5668.4 Ų68.429%0.29336%0.364SS..THydrogen-bonded Turntrans-84.82.7173.8-63.3174.3000113.5R8 G105 M106 E107 M111R8-L109 HydrophobicContact CG-CD2 3.97Å; G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 2.78Å; M106-L109 CarbonylContact O-C 3.59Å; M106-L109 PolarHBondContact O-N 2.87Å; M106-L109 VanDerWaalsContact O-N 3.17Å; M106-L109 HydrophobicContact SD-CD1 4.16Å; E107-L109 PolarHBondContact O-N 2.71Å; L109-M111 VanDerWaalsContact C-N 3.32Å
110G47.3Very low73.3Confident62 Ų6269.2 Ų69.264%0.63937%0.374SS*.THydrogen-bonded Turntrans77.314.9179.200000114.4M106 E107 I108M106-G110 PolarHBondContact O-N 3.28Å; E107-G110 PolarHBondContact O-N 3.24Å; I108-G110 VanDerWaalsContact C-N 3.29Å
111M61.4Low72.7Confident135 Ų13567.8 Ų67.867%0.66537%0.365SS*.  trans-126.969.7-178.8-66.2-172.960.700110.4M106 L109 V113M106-M111 CarbonylContact C-O 3.55Å; M106-M111 WeakPolarHBondContact CB-O 3.39Å; M106-M111 CarbonylContact O-C 3.45Å; M106-M111 PolarHBondContact O-N 3.03Å; L109-M111 VanDerWaalsContact C-N 3.32Å; M111-V113 PolarHBondContact O-N 2.9Å
112P65.4Low72.7Confident100 Ų10067.8 Ų67.865%0.64937%0.365SS*.  trans-60.1134.4-178.527.2-34.8000110.6
113V72.2Confident73Confident33 Ų3375.3 Ų75.320%0.240%0.397CS..  trans-113.4146.4176.6-67.80000109.8K103 M106 M111 E117 A118K103-V113 HydrophobicContact CG-CG2 4.16Å; M106-V113 HydrophobicContact CB-CG1 4.45Å; M106-V113 HydrophobicContact CB-CG2 4.07Å; M106-V113 HydrophobicContact CG-CG2 4.32Å; M111-V113 PolarHBondContact O-N 2.9Å; V113-E117 WeakPolarHBondContact CA-OE2 3.5Å; V113-E117 HydrophobicContact CB-CB 4.14Å; V113-A118 HydrophobicContact CG2-CB 4.07Å
114S82.9Confident72.8Confident44 Ų4478.5 Ų78.531%0.30842%0.415SS..  trans-73.2163.1174.690.30000111.9E116 E117 A118S114-E116 WeakPolarHBondContact CB-OE2 3.34Å; S114-E116 PolarHBondContact O-N 3.42Å; S114-E116 PolarHBondContact OG-N 3.4Å; S114-E116 PolarHBondContact OG-OE2 3.04Å; S114-E117 PolarHBondContact N-OE2 2.69Å; S114-E117 PolarHBondContact O-N 2.99Å; S114-E117 VanDerWaalsContact O-N 3.1Å; S114-E117 PolarHBondContact OG-N 2.96Å; S114-A118 WeakPolarHBondContact O-CB 3.34Å; S114-A118 PolarHBondContact O-N 2.99Å
115D85.6Confident72.9Confident81 Ų8173.6 Ų73.643%0.43339%0.392SS..Hα-helixtrans-53.8-42173.5-71-8.2000111.1K103 Q119K103-D115 WeakPolarHBondContact CD-OD1 3.28Å; K103-D115 WeakPolarHBondContact CE-OD1 3.28Å; K103-D115 IonicContact NZ-OD1 3.57Å; K103-D115 PolarHBondContact NZ-OD1 3.33Å; D115-Q119 WeakPolarHBondContact O-CB 3.37Å; D115-Q119 PolarHBondContact O-N 2.85Å
116E84.5Confident73.9Confident138 Ų13874.3 Ų74.365%0.64540%0.396SS*.Hα-helixtrans-67.3-37.7179.1-57.380.4-174.100112.4S114 A120S114-E116 WeakPolarHBondContact CB-OE2 3.34Å; S114-E116 PolarHBondContact O-N 3.42Å; S114-E116 PolarHBondContact OG-N 3.4Å; S114-E116 PolarHBondContact OG-OE2 3.04Å; E116-A120 VanDerWaalsContact O-CB 3.25Å; E116-A120 WeakPolarHBondContact O-CB 3.46Å; E116-A120 PolarHBondContact O-N 3.4Å
117E74.7Confident74.9Confident108 Ų10878 Ų7851%0.50541%0.412SS..Hα-helixtrans-70.1-46.8177.4-70.4175.8149.200111.1V113 S114 Q119 A120 M121V113-E117 WeakPolarHBondContact CA-OE2 3.5Å; V113-E117 HydrophobicContact CB-CB 4.14Å; S114-E117 PolarHBondContact N-OE2 2.69Å; S114-E117 PolarHBondContact O-N 2.99Å; S114-E117 VanDerWaalsContact O-N 3.1Å; S114-E117 PolarHBondContact OG-N 2.96Å; E117-Q119 PolarHBondContact O-N 3.41Å; E117-A120 PolarHBondContact O-N 3.44Å; E117-M121 VanDerWaalsContact O-CG 3.31Å; E117-M121 WeakPolarHBondContact O-CG 3.34Å; E117-M121 PolarHBondContact O-N 2.99Å
118A78.9Confident75.8Confident0 Ų075.1 Ų75.10%040%0.401CS..Hα-helixtrans-60.7-45.1176.100000111.1V99 L102 K103 V113 S114 A120 M121 I122V99-A118 HydrophobicContact CG1-CB 3.95Å; L102-A118 HydrophobicContact CD2-CB 4.27Å; K103-A118 HydrophobicContact CD-CB 4.34Å; K103-A118 HydrophobicContact CG-CB 3.73Å; V113-A118 HydrophobicContact CG2-CB 4.07Å; S114-A118 WeakPolarHBondContact O-CB 3.34Å; S114-A118 PolarHBondContact O-N 2.99Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 2.92Å; A118-M121 WeakPolarHBondContact O-CB 3.48Å; A118-M121 PolarHBondContact O-N 3.3Å; A118-M121 VanDerWaalsContact O-N 3.13Å; A118-I122 WeakPolarHBondContact O-CG1 3.32Å; A118-I122 PolarHBondContact O-N 3.03Å
119Q84.1Confident77.2Confident122 Ų12277.3 Ų77.357%0.5741%0.414SS*.Hα-helixtrans-67.8-32.9178.4-163.3141.936.300112.7V99 D115 E117 K123V99-Q119 HydrophobicContact CG2-CB 4.37Å; V99-Q119 HydrophobicContact CG2-CG 4.44Å; D115-Q119 WeakPolarHBondContact O-CB 3.37Å; D115-Q119 PolarHBondContact O-N 2.85Å; E117-Q119 PolarHBondContact O-N 3.41Å; Q119-K123 VanDerWaalsContact O-CB 3.23Å; Q119-K123 WeakPolarHBondContact O-CB 3.19Å; Q119-K123 PolarHBondContact O-N 3.42Å; Q119-K123 VanDerWaalsContact O-N 3.09Å
120A80.6Confident79.2Confident44 Ų4477.9 Ų77.936%0.36442%0.417SS..Hα-helixtrans-66.2-38.717100000111.9E116 E117 A118 M124E116-A120 VanDerWaalsContact O-CB 3.25Å; E116-A120 WeakPolarHBondContact O-CB 3.46Å; E116-A120 PolarHBondContact O-N 3.4Å; E117-A120 PolarHBondContact O-N 3.44Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 2.92Å; A120-M124 HydrophobicContact CB-CE 4.33Å; A120-M124 WeakPolarHBondContact O-CE 3.38Å; A120-M124 WeakPolarHBondContact O-CG 3.5Å; A120-M124 PolarHBondContact O-N 2.8Å
121M79.2Confident81.2Confident66 Ų6676.9 Ų76.933%0.32541%0.407SS..Hα-helixtrans-66.3-49177.4-71.8176.768.300112L102 M106 E117 A118 K123 M124 G125L102-M121 HydrophobicContact CD2-CB 3.84Å; L102-M121 HydrophobicContact CD2-CE 4.28Å; L102-M121 HydrophobicContact CD2-SD 4.28Å; M106-M121 HydrophobicContact CE-CE 4.17Å; E117-M121 VanDerWaalsContact O-CG 3.31Å; E117-M121 WeakPolarHBondContact O-CG 3.34Å; E117-M121 PolarHBondContact O-N 2.99Å; A118-M121 WeakPolarHBondContact O-CB 3.48Å; A118-M121 PolarHBondContact O-N 3.3Å; A118-M121 VanDerWaalsContact O-N 3.13Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 3.24Å; M121-M124 PolarHBondContact O-N 2.98Å; M121-M124 VanDerWaalsContact O-N 3.14Å; M121-G125 PolarHBondContact O-N 3.3Å
122I83.8Confident82.6Confident6 Ų673.8 Ų73.83%0.03139%0.39CS..Hα-helixtrans-56.2-49.1175.7-63.5-61.8000110I97 V99 L102 A118 M124 G125 D126 L133I97-I122 HydrophobicContact CG2-CD1 4.39Å; I97-I122 WeakPolarHBondContact O-CD1 3.32Å; V99-I122 HydrophobicContact CG2-CG1 4.06Å; L102-I122 HydrophobicContact CD2-CD1 4.02Å; L102-I122 HydrophobicContact CD2-CG1 4.21Å; A118-I122 WeakPolarHBondContact O-CG1 3.32Å; A118-I122 PolarHBondContact O-N 3.03Å; I122-M124 PolarHBondContact O-N 3.43Å; I122-M124 VanDerWaalsContact O-N 3.09Å; I122-G125 PolarHBondContact O-N 3.38Å; I122-G125 VanDerWaalsContact O-N 3.11Å; I122-D126 HydrophobicContact CG2-CB 4.33Å; I122-D126 WeakPolarHBondContact O-CB 3.33Å; I122-D126 PolarHBondContact O-N 3.31Å; I122-L133 HydrophobicContact CD1-CD1 3.76Å; I122-L133 HydrophobicContact CD1-CG 3.78Å; I122-L133 HydrophobicContact CG2-CG 4.48Å
123K85.3Confident83.6Confident166 Ų16669.6 Ų69.672%0.72236%0.362SS*.Hα-helixtrans-61-24-179-172.3174.6-178.21770114.4Q119 M121Q119-K123 VanDerWaalsContact O-CB 3.23Å; Q119-K123 WeakPolarHBondContact O-CB 3.19Å; Q119-K123 PolarHBondContact O-N 3.42Å; Q119-K123 VanDerWaalsContact O-N 3.09Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 3.24Å
124M79Confident84.5Confident126 Ų12670 Ų7062%0.62136%0.363SS*.Hα-helixtrans-80.3-28.4178.4-71.5-173.7-124.800113.3A120 M121 I122 F141A120-M124 HydrophobicContact CB-CE 4.33Å; A120-M124 WeakPolarHBondContact O-CE 3.38Å; A120-M124 WeakPolarHBondContact O-CG 3.5Å; A120-M124 PolarHBondContact O-N 2.8Å; M121-M124 PolarHBondContact O-N 2.98Å; M121-M124 VanDerWaalsContact O-N 3.14Å; I122-M124 PolarHBondContact O-N 3.43Å; I122-M124 VanDerWaalsContact O-N 3.09Å; M124-F141 HydrophobicContact CB-CD2 4.39Å; M124-F141 HydrophobicContact CB-CE2 3.47Å; M124-F141 VanDerWaalsContact CB-CE2 3.47Å; M124-F141 HydrophobicContact CB-CZ 3.99Å
125G78.7Confident84.4Confident0 Ų069.6 Ų69.60%036%0.356CS..Hα-helixtrans-100.7-20.4179.300000114.6M121 I122 H127 E137 F141M121-G125 PolarHBondContact O-N 3.3Å; I122-G125 PolarHBondContact O-N 3.38Å; I122-G125 VanDerWaalsContact O-N 3.11Å; G125-H127 PolarHBondContact O-CD2 2.91Å; G125-H127 PolarHBondContact O-N 3.03Å; G125-E137 WeakPolarHBondContact O-CB 3.45Å; G125-F141 VanDerWaalsContact CA-CD2 3.43Å
126D88.5Confident84.2Confident15 Ų1570.7 Ų70.78%0.0836%0.358CS..  trans-73.389.2-178178.47000110.4I122 N128 N129 D130 G131 L133I122-D126 HydrophobicContact CG2-CB 4.33Å; I122-D126 WeakPolarHBondContact O-CB 3.33Å; I122-D126 PolarHBondContact O-N 3.31Å; D126-N128 VanDerWaalsContact C-N 3.35Å; D126-N128 PolarHBondContact OD1-N 3.26Å; D126-N129 WeakPolarHBondContact OD1-CA 3.43Å; D126-N129 PolarHBondContact OD1-N 3.25Å; D126-N129 VanDerWaalsContact OD2-CA 3.23Å; D126-N129 WeakPolarHBondContact OD2-CA 3.3Å; D126-D130 PolarHBondContact OD1-N 3.47Å; D126-D130 PolarHBondContact OD2-N 2.95Å; D126-G131 WeakPolarHBondContact OD2-CA 3.44Å; D126-G131 PolarHBondContact OD2-N 3.06Å; D126-L133 HydrophobicContact CB-CD2 4.06Å
127H84.9Confident84.2Confident114 Ų11464.5 Ų64.553%0.52833%0.329SS..SBendtrans-74.6-28.2-178.7-73.5-49.3000112.3G125 E137G125-H127 PolarHBondContact O-CD2 2.91Å; G125-H127 PolarHBondContact O-N 3.03Å; H127-E137 HydrophobicContact CB-CG 4.29Å; H127-E137 PolarHBondContact N-OE1 2.99Å
128N87.8Confident84Confident76 Ų7660.3 Ų60.341%0.40631%0.311SS..SBendtrans-92.3-11.1-176.184.250.5000113.3D126 D130 E137D126-N128 VanDerWaalsContact C-N 3.35Å; D126-N128 PolarHBondContact OD1-N 3.26Å; N128-D130 PolarHBondContact ND2-OD2 2.86Å; N128-D130 VanDerWaalsContact ND2-OD2 3.1Å; N128-D130 WeakPolarHBondContact OD1-CA 3.32Å; N128-D130 WeakPolarHBondContact OD1-CB 3.34Å; N128-D130 PolarHBondContact OD1-N 3.4Å; N128-D130 PolarHBondContact OD1-OD1 2.85Å; N128-D130 PolarHBondContact OD1-OD2 3.23Å; N128-E137 WeakPolarHBondContact CB-OE1 3.38Å; N128-E137 PolarHBondContact N-OE1 2.85Å; N128-E137 PolarHBondContact ND2-OE1 2.88Å; N128-E137 PolarHBondContact ND2-OE2 3.33Å
129N88.1Confident83.7Confident132 Ų13261.6 Ų61.671%0.70632%0.319SS*.  trans61.935.1-177.3-58.4-93000114.5D126 G131D126-N129 WeakPolarHBondContact OD1-CA 3.43Å; D126-N129 PolarHBondContact OD1-N 3.25Å; D126-N129 VanDerWaalsContact OD2-CA 3.23Å; D126-N129 WeakPolarHBondContact OD2-CA 3.3Å; N129-G131 VanDerWaalsContact C-N 3.28Å
130D90.5Very high82.9Confident67 Ų6759.2 Ų59.236%0.35831%0.31SS..SBendtrans-85.1-1.6173.966.414.1000113.4D126 N128 K132D126-D130 PolarHBondContact OD1-N 3.47Å; D126-D130 PolarHBondContact OD2-N 2.95Å; N128-D130 PolarHBondContact ND2-OD2 2.86Å; N128-D130 VanDerWaalsContact ND2-OD2 3.1Å; N128-D130 WeakPolarHBondContact OD1-CA 3.32Å; N128-D130 WeakPolarHBondContact OD1-CB 3.34Å; N128-D130 PolarHBondContact OD1-N 3.4Å; N128-D130 PolarHBondContact OD1-OD1 2.85Å; N128-D130 PolarHBondContact OD1-OD2 3.23Å; D130-K132 VanDerWaalsContact C-N 3.33Å; D130-K132 WeakPolarHBondContact OD1-CA 3.44Å; D130-K132 WeakPolarHBondContact OD1-CG 3.3Å; D130-K132 PolarHBondContact OD1-N 3.26Å; D130-K132 VanDerWaalsContact OD1-O 3.11Å
131G88.6Confident82Confident42 Ų4261 Ų6143%0.43331%0.31SS..SBendtrans81.711.1179.700000113.7D126 N129D126-G131 WeakPolarHBondContact OD2-CA 3.44Å; D126-G131 PolarHBondContact OD2-N 3.06Å; N129-G131 VanDerWaalsContact C-N 3.28Å
132K92.2Very high80.5Confident69 Ų6964.2 Ų64.230%0.332%0.324SS..SBendtrans-136.5169.8-179-17.7-176.5-174.6-169.20109.9D94 F96 D130D94-K132 IonicContact OD2-NZ 2.72Å; F96-K132 HydrophobicContact CB-CB 3.88Å; F96-K132 HydrophobicContact CB-CD 3.69Å; F96-K132 HydrophobicContact CB-CG 4.48Å; F96-K132 HydrophobicContact CD1-CB 4.26Å; F96-K132 HydrophobicContact CD1-CD 4.01Å; F96-K132 HydrophobicContact CD2-CD 4.42Å; F96-K132 HydrophobicContact CG-CB 4.41Å; F96-K132 HydrophobicContact CG-CD 3.79Å; D130-K132 VanDerWaalsContact C-N 3.33Å; D130-K132 WeakPolarHBondContact OD1-CA 3.44Å; D130-K132 WeakPolarHBondContact OD1-CG 3.3Å; D130-K132 PolarHBondContact OD1-N 3.26Å; D130-K132 VanDerWaalsContact OD1-O 3.11Å
133L85.8Confident78.2Confident13 Ų1373.2 Ų73.27%0.06836%0.363CS..EExtended strand (participates in β ladder)trans-112.2117.9170-61.4176.2000110.1F86 F96 I97 I122 D126 E137 V138F86-L133 WeakPolarHBondContact CE2-O 3.46Å; F86-L133 WeakPolarHBondContact CZ-O 3.32Å; F96-L133 CarbonylContact C-O 3.57Å; F96-L133 WeakPolarHBondContact CA-O 3.34Å; I97-L133 HydrophobicContact CB-CB 4.35Å; I97-L133 PolarHBondContact N-O 3.44Å; I97-L133 PolarHBondContact O-N 3.27Å; I122-L133 HydrophobicContact CD1-CD1 3.76Å; I122-L133 HydrophobicContact CD1-CG 3.78Å; I122-L133 HydrophobicContact CG2-CG 4.48Å; D126-L133 HydrophobicContact CB-CD2 4.06Å; L133-E137 HydrophobicContact CD2-CB 4.24Å; L133-V138 HydrophobicContact CB-CG2 3.8Å; L133-V138 HydrophobicContact CD1-CG2 4.17Å
134N89.9Confident75.5Confident40 Ų4069.9 Ų69.921%0.21436%0.36CS..EExtended strand (participates in β ladder)trans-80.5167.9165.972.457.4000111.3F86 F96 Q136 E137 V138F86-N134 VanDerWaalsContact CE2-C 3.43Å; F96-N134 HydrophobicContact CD1-CB 3.85Å; F96-N134 HydrophobicContact CE1-CB 3.83Å; N134-Q136 VanDerWaalsContact C-N 3.26Å; N134-Q136 PolarHBondContact O-N 2.97Å; N134-Q136 WeakPolarHBondContact OD1-CA 3.34Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; N134-Q136 PolarHBondContact OD1-N 2.88Å; N134-E137 PolarHBondContact N-OE2 2.89Å; N134-E137 PolarHBondContact ND2-OE2 2.83Å; N134-E137 WeakPolarHBondContact O-CB 3.31Å; N134-E137 PolarHBondContact O-N 2.88Å; N134-E137 VanDerWaalsContact O-N 3.1Å; N134-E137 PolarHBondContact OD1-N 2.81Å; N134-V138 PolarHBondContact O-N 3.22Å
135F81.5Confident73.3Confident36 Ų3672.1 Ų72.116%0.15836%0.361CS..Hα-helixtrans-56-38.8-177.6-179.4-105000113.5D79 L82 R83 F86 V138 V139D79-F135 WeakPolarHBondContact O-CZ 3.31Å; L82-F135 HydrophobicContact CB-CE2 4.05Å; L82-F135 HydrophobicContact CB-CZ 4.3Å; R83-F135 VanDerWaalsContact CA-CE2 3.47Å; R83-F135 HydrophobicContact CB-CE2 3.76Å; R83-F135 HydrophobicContact CB-CZ 4Å; R83-F135 HydrophobicContact CG-CD2 4.36Å; R83-F135 HydrophobicContact CG-CE2 3.9Å; R83-F135 HydrophobicContact CG-CZ 4.12Å; F86-F135 HydrophobicContact CB-CD2 3.94Å; F86-F135 HydrophobicContact CB-CE2 4.39Å; F86-F135 HydrophobicContact CD1-CD2 4.47Å; F86-F135 HydrophobicContact CD2-CB 4.29Å; F86-F135 HydrophobicContact CD2-CD2 4.02Å; F86-F135 VanDerWaalsContact CE2-CA 3.49Å; F86-F135 HydrophobicContact CE2-CB 4.21Å; F86-F135 VanDerWaalsContact CE2-N 3.33Å; F86-F135 AromaticContact CG-CD2 3.88Å; F86-F135 HydrophobicContact CG-CD2 3.88Å; F86-F135 HydrophobicContact CZ-CB 4.34Å; F135-V138 PolarHBondContact O-N 2.91Å; F135-V139 HydrophobicContact CD1-CG2 4.29Å; F135-V139 HydrophobicContact CE1-CG2 3.81Å; F135-V139 HydrophobicContact CE2-CG2 4.15Å; F135-V139 HydrophobicContact CZ-CG2 3.72Å; F135-V139 VanDerWaalsContact O-CG2 3.26Å; F135-V139 WeakPolarHBondContact O-CG2 3.41Å; F135-V139 PolarHBondContact O-N 3.41Å; F135-V139 VanDerWaalsContact O-N 3.12Å
136Q81.2Confident70.9Confident104 Ų10481.6 Ų81.649%0.48641%0.408SS..Hα-helixtrans-70.1-38.1179.6-170.962.154.800111.4N134 V138 V139 D140N134-Q136 VanDerWaalsContact C-N 3.26Å; N134-Q136 PolarHBondContact O-N 2.97Å; N134-Q136 WeakPolarHBondContact OD1-CA 3.34Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; N134-Q136 PolarHBondContact OD1-N 2.88Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-V138 PolarHBondContact O-N 3.48Å; Q136-V139 PolarHBondContact O-N 2.68Å; Q136-D140 PolarHBondContact NE2-OD1 2.86Å; Q136-D140 WeakPolarHBondContact O-CB 3.29Å; Q136-D140 PolarHBondContact O-N 2.8Å
137E85.4Confident68.1Low8 Ų885.3 Ų85.34%0.03744%0.435CS..Hα-helixtrans-63.6-38.8175.4-76.7167.6157.500112.1G125 H127 N128 L133 N134 D140 F141G125-E137 WeakPolarHBondContact O-CB 3.45Å; H127-E137 HydrophobicContact CB-CG 4.29Å; H127-E137 PolarHBondContact N-OE1 2.99Å; N128-E137 WeakPolarHBondContact CB-OE1 3.38Å; N128-E137 PolarHBondContact N-OE1 2.85Å; N128-E137 PolarHBondContact ND2-OE1 2.88Å; N128-E137 PolarHBondContact ND2-OE2 3.33Å; L133-E137 HydrophobicContact CD2-CB 4.24Å; N134-E137 PolarHBondContact N-OE2 2.89Å; N134-E137 PolarHBondContact ND2-OE2 2.83Å; N134-E137 WeakPolarHBondContact O-CB 3.31Å; N134-E137 PolarHBondContact O-N 2.88Å; N134-E137 VanDerWaalsContact O-N 3.1Å; N134-E137 PolarHBondContact OD1-N 2.81Å; E137-D140 PolarHBondContact O-N 2.93Å; E137-F141 WeakPolarHBondContact O-CB 3.47Å; E137-F141 PolarHBondContact O-N 3.2Å
138V71Confident65.4Low21 Ų2189.2 Ų89.213%0.12745%0.451CS..Hα-helixtrans-64-45.6173.3176.10000111.2F86 I97 L133 N134 F135 Q136 D140 F141 E142F86-V138 HydrophobicContact CD2-CB 4.18Å; F86-V138 HydrophobicContact CD2-CG2 3.73Å; F86-V138 HydrophobicContact CE2-CG2 3.75Å; I97-V138 HydrophobicContact CD1-CG2 4.15Å; L133-V138 HydrophobicContact CB-CG2 3.8Å; L133-V138 HydrophobicContact CD1-CG2 4.17Å; N134-V138 PolarHBondContact O-N 3.22Å; F135-V138 PolarHBondContact O-N 2.91Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-V138 PolarHBondContact O-N 3.48Å; V138-D140 PolarHBondContact O-N 3.47Å; V138-F141 PolarHBondContact O-N 3.15Å; V138-E142 WeakPolarHBondContact O-CB 3.44Å; V138-E142 PolarHBondContact O-N 3.25Å
139V70.8Confident62.7Low26 Ų2690.5 Ų90.516%0.15846%0.463CS..Hα-helixtrans-60.9-44.1176.6172.70000111.5L82 F135 Q136 E142 F143L82-V139 HydrophobicContact CD1-CB 4.44Å; L82-V139 HydrophobicContact CD1-CG2 3.84Å; F135-V139 HydrophobicContact CD1-CG2 4.29Å; F135-V139 HydrophobicContact CE1-CG2 3.81Å; F135-V139 HydrophobicContact CE2-CG2 4.15Å; F135-V139 HydrophobicContact CZ-CG2 3.72Å; F135-V139 VanDerWaalsContact O-CG2 3.26Å; F135-V139 WeakPolarHBondContact O-CG2 3.41Å; F135-V139 PolarHBondContact O-N 3.41Å; F135-V139 VanDerWaalsContact O-N 3.12Å; Q136-V139 PolarHBondContact O-N 2.68Å; V139-E142 PolarHBondContact O-N 3.41Å; V139-F143 PolarHBondContact O-N 2.92Å
140D68.1Low59.7Low73 Ų7393.1 Ų93.139%0.3947%0.469SS..Hα-helixtrans-70.3-37.1-179.1-70.5-10.7000111.6Q136 E137 V138 F143Q136-D140 PolarHBondContact NE2-OD1 2.86Å; Q136-D140 WeakPolarHBondContact O-CB 3.29Å; Q136-D140 PolarHBondContact O-N 2.8Å; E137-D140 PolarHBondContact O-N 2.93Å; V138-D140 PolarHBondContact O-N 3.47Å; D140-F143 PolarHBondContact O-N 3.02Å
141F61.6Low56.8Low82 Ų8298.4 Ų98.436%0.3649%0.489SS..Hα-helixtrans-63.7-39.5175.2-178.2-115.5000111.8M124 G125 E137 V138 F143M124-F141 HydrophobicContact CB-CD2 4.39Å; M124-F141 HydrophobicContact CB-CE2 3.47Å; M124-F141 VanDerWaalsContact CB-CE2 3.47Å; M124-F141 HydrophobicContact CB-CZ 3.99Å; G125-F141 VanDerWaalsContact CA-CD2 3.43Å; E137-F141 WeakPolarHBondContact O-CB 3.47Å; E137-F141 PolarHBondContact O-N 3.2Å; V138-F141 PolarHBondContact O-N 3.15Å; F141-F143 VanDerWaalsContact C-N 3.29Å; F141-F143 PolarHBondContact O-N 3.07Å
142E47.4Very low53.8Low132 Ų132106 Ų10662%0.61751%0.51SS*.Hα-helixtrans-77.5-11.3-178-142.4157.1166.800113.5L82 V138 V139L82-E142 WeakPolarHBondContact CD2-OE2 3.27Å; V138-E142 WeakPolarHBondContact O-CB 3.44Å; V138-E142 PolarHBondContact O-N 3.25Å; V139-E142 PolarHBondContact O-N 3.41Å
143F36.1Very low50.6Low195 Ų195112.2 Ų112.286%0.85554%0.537SS*.THydrogen-bonded Turntrans-101.84.5-179.6-146.3-103.2000115.4V139 D140 F141V139-F143 PolarHBondContact O-N 2.92Å; D140-F143 PolarHBondContact O-N 3.02Å; F141-F143 VanDerWaalsContact C-N 3.29Å; F141-F143 PolarHBondContact O-N 3.07Å
144C29.5Very low47.9Very low97 Ų97123 Ų12366%0.65558%0.576SS**SBendtrans-123.986179.8-147.90000114.4
145R32Very low44.9Very low173 Ų173131.8 Ų131.865%0.65361%0.607SS**  trans53.588.6149.5-57.4177.6731787.8117.8S147R145-S147 VanDerWaalsContact C-N 3.33Å
146M28.9Very low42.2Very low198 Ų198139.7 Ų139.798%0.97564%0.641SS**SBendtrans-97.760134-80.5-165.350.600111.2
147S28.3Very low39.6Very low94 Ų94141.1 Ų141.166%0.65766%0.657SS**SBendtrans-141107.6160.7-72.70000108.1R145R145-S147 VanDerWaalsContact C-N 3.33Å
148K29.2Very low36.9Very low196 Ų196145 Ų14585%0.85268%0.684SS**  trans-47.7163.5-159.9-61.5-180176.5179.40117.3
149P30.5Very low34.8Very low102 Ų102150.1 Ų150.166%0.66271%0.71SS**  -148.697.4112.135.7-16000114.1
150F25.7Very low32.6Very low188 Ų188159.6 Ų159.683%0.82574%0.743SS**SBendtrans-102.6107.3153.9-134.6-98000107.2
151F29.6Very low30.7Very low177 Ų177158.8 Ų158.878%0.77675%0.752SS**  trans51.592.8171.1-75.2-86.7000119.3K153F151-K153 PolarHBondContact O-N 3.18Å
152K25.4Very low29.1Very low202 Ų202163.8 Ų163.888%0.87877%0.77SS**  trans-22.5108.1133.5-72.1169.5173.6169.80113.6
153K25.5Very low28.2Very low199 Ų199162.5 Ų162.587%0.86577%0.766SS**  trans-139.196.8142.6-92-175.8-177.7172.70110.1F151F151-K153 PolarHBondContact O-N 3.18Å
154R27.6Very low27.8Very low239 Ų239162.9 Ų162.990%0.90276%0.763SS**  trans37.394.8147.2-57.6-174.1178.4-153.2-1115.1
155R27.5Very low27.7Very low226 Ų226166.2 Ų166.285%0.85377%0.773SS**  4898.477.1-137.2179.4-168.7168.23.5112.2T157R155-T157 PolarHBondContact O-N 2.74Å
156F24.3Very low27.4Very low202 Ų202161.6 Ų161.689%0.88677%0.772SS**  trans6.7108.3139.2-67.9-91.1000114.8
157T27.8Very low27.3Very low133 Ų133160.3 Ų160.382%0.81676%0.764SS**  trans-112.387.3155.942.20000108.5R155R155-T157 PolarHBondContact O-N 2.74Å
158C29.2Very low27.2Very low89 Ų89167.5 Ų167.560%0.60178%0.777SS**  trans-75.4106.6141176.80000106.6
159L25.1Very low27.1Very low129 Ų129169.4 Ų169.468%0.67578%0.778SS**SBendtrans-17121.3137.1-127.492.4000112.7
160R25.5Very low26.9Very low226 Ų226173.6 Ų173.685%0.85379%0.789SS**SBendtrans-126-8.9178.4-154.2168.3160.3145.6-4.2113.7
161G29.2Very low27Very low55 Ų55174.4 Ų174.457%0.56780%0.795SS**SBendtrans-90.5-14.6159.100000113.6I163G161-I163 VanDerWaalsContact C-N 3.27Å
162Y28.2Very low26.9Very low188 Ų188171.3 Ų171.374%0.73780%0.796SS**SBendtrans-80.7-8.6171.8-117.3-94.7000113
163I27.5Very low27.3Very low104 Ų104170.4 Ų170.453%0.53379%0.794SS.*SBendtrans-109.2-7.7175.8-65.7174.5000111.3G161 L165G161-I163 VanDerWaalsContact C-N 3.27Å; I163-L165 VanDerWaalsContact C-N 3.29Å; I163-L165 PolarHBondContact O-N 2.98Å
164Y27.9Very low27.5Very low203 Ų203171.7 Ų171.780%0.79680%0.8SS**THydrogen-bonded Turntrans-88.39.6173.3-157-103.5000113.7
165L28Very low27.6Very low167 Ų167165.8 Ų165.887%0.87479%0.794SS**THydrogen-bonded Turntrans-121.817.6170-74.4171.8000112.5I163I163-L165 VanDerWaalsContact C-N 3.29Å; I163-L165 PolarHBondContact O-N 2.98Å
166A25.4Very low28.3Very low76 Ų76161 Ų16163%0.62880%0.795SS**SBendtrans-118.18.2-179.300000114.9
167E26.3Very low29.5Very low171 Ų171156.4 Ų156.480%0.79979%0.787SS**SBendtrans-122.431.2-179.4-74.2-176.9159.100114.2
168R27.2Very low31.2Very low246 Ų246153.6 Ų153.693%0.92877%0.771SS**  trans-123.564.4163.7-89.9-169.5159.5173.8-3.7111.7
169R25.9Very low33.6Very low235 Ų235157.3 Ų157.389%0.88777%0.773SS**  trans-15186.8154.8-77.5-165178.6-178.4-0.6109.5
170E27.2Very low36.7Very low190 Ų190157.7 Ų157.789%0.88877%0.765SS**SBendtrans-174.398.5142.6-106.8169.7-156.300107.9
171Q27.7Very low39.9Very low205 Ų205147 Ų14796%0.95873%0.725SS**  trans164.475.7152.3-90.4171.525.100107.8
172S27.7Very low42.9Very low112 Ų112149.8 Ų149.878%0.78372%0.723SS**  trans-141118.6153.964.40000107.2
173H32.3Very low46Very low184 Ų184145 Ų14585%0.85270%0.704SS**  trans-40142.1177.1-79.8-104.4000113.3C175H173-C175 PolarHBondContact O-N 2.75Å
174F29.6Very low49.1Very low225 Ų225145.3 Ų145.399%0.98770%0.702SS**  trans-32.5101.7156.9-112.6-104.2000111
175C30.9Very low51.9Low115 Ų115137.9 Ų137.978%0.77768%0.676SS**  trans-143124.9161.8-169.60000105.8H173 S177H173-C175 PolarHBondContact O-N 2.75Å; C175-S177 PolarHBondContact O-N 3.21Å
176C41.9Very low54.6Low127 Ų127139 Ų13986%0.85867%0.674SS**  trans-36.4108.3-175.1-76.60000111.2P178C176-P178 VanDerWaalsContact O-N 3.16Å
177S49.5Very low57Low104 Ų104142.9 Ų142.973%0.72768%0.679SS**PPolyproline II helixtrans-59.9123.3-177.660.20000108.7C175 R179C175-S177 PolarHBondContact O-N 3.21Å; S177-R179 PolarHBondContact O-N 3.37Å
178P63.4Low59.8Low75 Ų75141.2 Ų141.249%0.48767%0.669SS.*PPolyproline II helixtrans-63.8132.1-17627.9-35.5000108.8C176 R180 L195C176-P178 VanDerWaalsContact O-N 3.16Å; P178-R180 WeakPolarHBondContact O-CG 3.19Å; P178-R180 PolarHBondContact O-N 3.12Å; P178-R180 VanDerWaalsContact O-N 3.09Å; P178-L195 HydrophobicContact CB-CD2 3.58Å; P178-L195 HydrophobicContact CG-CD2 3.87Å
179R79.3Confident62.7Low167 Ų167132.2 Ų132.263%0.6365%0.653SS**PPolyproline II helixtrans-55.9117.9-173.7-65.9-172.5-167.4-156.9-0.9109.1S177 L195 T196 P198S177-R179 PolarHBondContact O-N 3.37Å; R179-L195 WeakPolarHBondContact O-CA 3.46Å; R179-T196 VanDerWaalsContact CB-OG1 3.26Å; R179-T196 WeakPolarHBondContact CB-OG1 3.32Å; R179-T196 PolarHBondContact O-N 2.66Å; R179-T196 PolarHBondContact O-OG1 3.21Å; R179-P198 WeakPolarHBondContact CD-O 3.46Å; R179-P198 PolarHBondContact NE-O 3.2Å; R179-P198 PolarHBondContact NH1-O 3.27Å
180R89.7Confident65.8Low137 Ų137125 Ų12552%0.51763%0.625SS.*BIsolated β-bridgetrans-100.5150.4179.8-65.3-167.1-169.2-115.56.5110.5P178 Q182 R193 M194P178-R180 WeakPolarHBondContact O-CG 3.19Å; P178-R180 PolarHBondContact O-N 3.12Å; P178-R180 VanDerWaalsContact O-N 3.09Å; R180-Q182 PolarHBondContact O-N 2.97Å; R180-R193 PolarHBondContact NH1-O 3.33Å; R180-R193 VanDerWaalsContact NH1-O 3.13Å; R180-M194 WeakPolarHBondContact CA-O 3.35Å
181C93.4Very high68.7Low1 Ų1119.3 Ų119.31%0.00760%0.604CS.*PPolyproline II helixtrans-57.6128.8177.9179.30000111Y183 C192 M194 T196 C203C181-Y183 VanDerWaalsContact C-N 3.26Å; C181-Y183 PolarHBondContact O-N 2.94Å; C181-Y183 VanDerWaalsContact SG-CB 3.51Å; C181-Y183 PolarHBondContact SG-N 3.5Å; C181-Y183 VanDerWaalsContact SG-N 3.45Å; C181-C192 HydrophobicContact CB-CB 3.73Å; C181-M194 WeakPolarHBondContact CB-O 3.2Å; C181-M194 PolarHBondContact N-O 2.93Å; C181-T196 VanDerWaalsContact CA-CG2 3.42Å; C181-T196 HydrophobicContact CB-CG2 4.07Å; C181-T196 VanDerWaalsContact N-CG2 3.34Å; C181-C203 HydrophobicContact CB-CB 3.85Å; C181-C203 PolarHBondContact SG-N 3.34Å
182Q92.8Very high71.8Confident114 Ų114110 Ų11053%0.53356%0.561SS.*  trans-83.5-0.6-179.3-62.1-175.87.400112.9R180 F184 R201 Y202R180-Q182 PolarHBondContact O-N 2.97Å; Q182-F184 PolarHBondContact O-N 3.31Å; Q182-R201 HydrophobicContact CG-CB 4.39Å; Q182-R201 PolarHBondContact N-O 2.79Å; Q182-Y202 HydrophobicContact CB-CE1 4.25Å
183Y91.9Very high74.8Confident86 Ų86112.1 Ų112.134%0.33755%0.552SS.*  trans-63.9126.1178.1-170.9-95.3000111.5C181 L185 T191 C192 H206 V209C181-Y183 VanDerWaalsContact C-N 3.26Å; C181-Y183 PolarHBondContact O-N 2.94Å; C181-Y183 VanDerWaalsContact SG-CB 3.51Å; C181-Y183 PolarHBondContact SG-N 3.5Å; C181-Y183 VanDerWaalsContact SG-N 3.45Å; Y183-L185 HydrophobicContact CD1-CD2 4.03Å; Y183-L185 HydrophobicContact CD1-CG 4.32Å; Y183-L185 HydrophobicContact CE1-CD2 4.03Å; Y183-T191 CarbonylContact O-C 3.54Å; Y183-T191 WeakPolarHBondContact O-CA 3.48Å; Y183-C192 PolarHBondContact O-N 3.31Å; Y183-H206 VanDerWaalsContact CB-CG 3.46Å; Y183-H206 AromaticContact CD1-CD2 3.17Å; Y183-H206 WeakPolarHBondContact CD1-CD2 3.4Å; Y183-H206 AromaticContact CD1-CE1 3.78Å; Y183-H206 AromaticContact CD1-CG 3.75Å; Y183-H206 AromaticContact CD1-NE2 3.19Å; Y183-H206 WeakPolarHBondContact CD1-NE2 3.23Å; Y183-H206 HydrophobicContact CD2-CB 3.96Å; Y183-H206 AromaticContact CD2-CD2 3.62Å; Y183-H206 AromaticContact CD2-CG 3.92Å; Y183-H206 AromaticContact CE1-CD2 3.48Å; Y183-H206 VanDerWaalsContact CE1-CD2 3.48Å; Y183-H206 WeakPolarHBondContact CE1-CD2 3.12Å; Y183-H206 AromaticContact CE1-NE2 3.49Å; Y183-H206 WeakPolarHBondContact CE1-NE2 3.37Å; Y183-H206 AromaticContact CE2-CD2 3.91Å; Y183-H206 HydrophobicContact CG-CB 3.84Å; Y183-H206 AromaticContact CG-CD2 3.23Å; Y183-H206 AromaticContact CG-CG 3.43Å; Y183-H206 VanDerWaalsContact CG-CG 3.43Å; Y183-H206 AromaticContact CG-NE2 3.75Å; Y183-H206 AromaticContact CZ-CD2 3.84Å; Y183-V209 HydrophobicContact CD2-CG2 3.56Å; Y183-V209 HydrophobicContact CE2-CG2 3.57Å
184F92.5Very high77.6Confident112 Ų112108.8 Ų108.849%0.49154%0.538SS..EExtended strand (participates in β ladder)trans-88.1112.6178.7-164.2-94.3000111.1Q182 K186 T191Q182-F184 PolarHBondContact O-N 3.31Å; F184-K186 HydrophobicContact CD1-CG 4.2Å; F184-K186 PolarHBondContact O-N 2.84Å; F184-T191 HydrophobicContact CD2-CG2 4.09Å
185L88Confident80.5Confident47 Ų47103.1 Ų103.125%0.24652%0.518CS..EExtended strand (participates in β ladder)trans-78.689.4174.5-65.1164.9000108.6Y183 E187 K188 G189 R190 C192Y183-L185 HydrophobicContact CD1-CD2 4.03Å; Y183-L185 HydrophobicContact CD1-CG 4.32Å; Y183-L185 HydrophobicContact CE1-CD2 4.03Å; L185-E187 PolarHBondContact O-N 2.87Å; L185-K188 HydrophobicContact CB-CB 4.17Å; L185-K188 CarbonylContact O-C 3.35Å; L185-K188 PolarHBondContact O-N 2.93Å; L185-G189 PolarHBondContact O-N 3.18Å; L185-R190 WeakPolarHBondContact CB-O 3.27Å; L185-R190 PolarHBondContact N-O 3.46Å; L185-C192 HydrophobicContact CD1-CB 4.36Å
186K83.1Confident83.3Confident190 Ų19098.8 Ų98.883%0.82649%0.487SS*.G310 helixtrans-46.1-47.5-179.6-82.7-173176.3-1790112.5F184 K188 G189F184-K186 HydrophobicContact CD1-CG 4.2Å; F184-K186 PolarHBondContact O-N 2.84Å; K186-K188 PolarHBondContact O-N 3.2Å; K186-G189 PolarHBondContact O-N 2.8Å
187E77.5Confident85.4Confident158 Ų158100.1 Ų100.174%0.73848%0.479SS*.G310 helixtrans-63.1-24.2-179.4-62.7-172.4154.200114.4L185 K267L185-E187 PolarHBondContact O-N 2.87Å; E187-K267 IonicContact OE1-NZ 2.84Å; E187-K267 PolarHBondContact OE1-NZ 3.44Å
188K84.5Confident87Confident135 Ų13599.3 Ų99.359%0.58747%0.471SS*.G310 helixtrans-106.61.3-179.1-60.4-163.2-180-177.30113.1L185 K186 R190L185-K188 HydrophobicContact CB-CB 4.17Å; L185-K188 CarbonylContact O-C 3.35Å; L185-K188 PolarHBondContact O-N 2.93Å; K186-K188 PolarHBondContact O-N 3.2Å; K188-R190 HydrophobicContact CB-CG 3.96Å; K188-R190 PolarHBondContact O-N 2.71Å
189G88Confident88Confident57 Ų57103.1 Ų103.159%0.58849%0.487SS*.THydrogen-bonded Turntrans55.630.5-178.400000114.2L185 K186L185-G189 PolarHBondContact O-N 3.18Å; K186-G189 PolarHBondContact O-N 2.8Å
190R89.8Confident88.3Confident84 Ų8496 Ų9632%0.31746%0.463SS..EExtended strand (participates in β ladder)trans-153157.8-175.367.3-176.2172.8115-11.6113.5L185 K188 R193L185-R190 WeakPolarHBondContact CB-O 3.27Å; L185-R190 PolarHBondContact N-O 3.46Å; K188-R190 HydrophobicContact CB-CG 3.96Å; K188-R190 PolarHBondContact O-N 2.71Å; R190-R193 VanDerWaalsContact NH1-CG 3.34Å
191T90.1Very high88.3Confident71 Ų7195.7 Ų95.744%0.43646%0.462SS..EExtended strand (participates in β ladder)trans-68.4148.2169.148.20000112.2Y183 F184 R193Y183-T191 CarbonylContact O-C 3.54Å; Y183-T191 WeakPolarHBondContact O-CA 3.48Å; F184-T191 HydrophobicContact CD2-CG2 4.09Å; T191-R193 PolarHBondContact O-N 3.46Å
192C92.3Very high88.1Confident8 Ų897.3 Ų97.35%0.05447%0.468CS..  trans-58.3131.11771800000110.1C181 Y183 L185 M194 H206C181-C192 HydrophobicContact CB-CB 3.73Å; Y183-C192 PolarHBondContact O-N 3.31Å; L185-C192 HydrophobicContact CD1-CB 4.36Å; C192-M194 VanDerWaalsContact C-N 3.3Å; C192-M194 PolarHBondContact O-N 3.07Å; C192-H206 VanDerWaalsContact SG-CE1 3.53Å
193R91.2Very high88Confident158 Ų15892 Ų9260%0.59644%0.444SS*.  trans-83.4-4-177.1-75.1-170.5-171.91654.4114.2R180 R190 T191R180-R193 PolarHBondContact NH1-O 3.33Å; R180-R193 VanDerWaalsContact NH1-O 3.13Å; R190-R193 VanDerWaalsContact NH1-CG 3.34Å; T191-R193 PolarHBondContact O-N 3.46Å
194M91.2Very high87.5Confident113 Ų11389.9 Ų89.956%0.55745%0.448SS*.SBendtrans-68.8146.4-177.8-67.5-67.9-82.600111.2R180 C181 C192 C203R180-M194 WeakPolarHBondContact CA-O 3.35Å; C181-M194 WeakPolarHBondContact CB-O 3.2Å; C181-M194 PolarHBondContact N-O 2.93Å; C192-M194 VanDerWaalsContact C-N 3.3Å; C192-M194 PolarHBondContact O-N 3.07Å; M194-C203 HydrophobicContact CB-CB 3.51Å; M194-C203 HydrophobicContact CG-CB 4.5Å
195L90.6Very high87.1Confident107 Ų10789.6 Ų89.656%0.5645%0.448SS*.BIsolated β-bridgetrans-71.4147.1176.2-63.2179.2000111.2P178 R179 C203P178-L195 HydrophobicContact CB-CD2 3.58Å; P178-L195 HydrophobicContact CG-CD2 3.87Å; R179-L195 WeakPolarHBondContact O-CA 3.46Å; L195-C203 WeakPolarHBondContact O-CB 2.98Å
196T89.6Confident87.1Confident23 Ų2388.8 Ų88.814%0.14144%0.443CS..PPolyproline II helixtrans-100.7159.7172690000110.8R179 C181 S200R179-T196 VanDerWaalsContact CB-OG1 3.26Å; R179-T196 WeakPolarHBondContact CB-OG1 3.32Å; R179-T196 PolarHBondContact O-N 2.66Å; R179-T196 PolarHBondContact O-OG1 3.21Å; C181-T196 VanDerWaalsContact CA-CG2 3.42Å; C181-T196 HydrophobicContact CB-CG2 4.07Å; C181-T196 VanDerWaalsContact N-CG2 3.34Å; T196-S200 WeakPolarHBondContact CB-O 3.29Å; T196-S200 PolarHBondContact OG1-O 2.98Å
197K85.6Confident87.2Confident155 Ų15581.9 Ų81.967%0.67441%0.414SS*.PPolyproline II helixtrans-64.6155163.4-70.5-176.1178.6-178.90109.1D199 S200K197-D199 PolarHBondContact O-N 3.22Å; K197-S200 PolarHBondContact O-N 3.33Å; K197-S200 VanDerWaalsContact O-N 3.1Å
198P82.2Confident87.4Confident87 Ų8777.8 Ų77.857%0.56540%0.397SS*.THydrogen-bonded Turntrans-45.8-38.2-177.2-29.635.5000113.5R179R179-P198 WeakPolarHBondContact CD-O 3.46Å; R179-P198 PolarHBondContact NE-O 3.2Å; R179-P198 PolarHBondContact NH1-O 3.27Å
199D84.8Confident87.3Confident155 Ų15574.5 Ų74.583%0.82939%0.388SS*.THydrogen-bonded Turntrans-1087.3-169.9-40.8-45.3000114.1K197K197-D199 PolarHBondContact O-N 3.22Å
200S86.2Confident87Confident19 Ų1975.4 Ų75.413%0.13338%0.377CS..  trans-115.5143.9178.5-179.20000111.9T196 K197 Y202 E210T196-S200 WeakPolarHBondContact CB-O 3.29Å; T196-S200 PolarHBondContact OG1-O 2.98Å; K197-S200 PolarHBondContact O-N 3.33Å; K197-S200 VanDerWaalsContact O-N 3.1Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 PolarHBondContact OG-N 3.25Å; S200-Y202 PolarHBondContact OG-O 3.02Å; S200-E210 PolarHBondContact OG-OE2 3.4Å
201R89.2Confident86.6Confident130 Ų13074.7 Ų74.749%0.49138%0.379SS..SBendtrans-79.6-15.3173.5-64.4-177.9-69.4173.5-2.3112.6Q182 E210Q182-R201 HydrophobicContact CG-CB 4.39Å; Q182-R201 PolarHBondContact N-O 2.79Å; R201-E210 WeakPolarHBondContact CB-OE1 3.4Å; R201-E210 WeakPolarHBondContact CG-OE1 3.48Å; R201-E210 IonicContact CZ-OE1 2.88Å; R201-E210 IonicContact NE-OE1 3.7Å; R201-E210 PolarHBondContact NE-OE1 2.74Å; R201-E210 IonicContact NH2-OE1 3.52Å; R201-E210 PolarHBondContact NH2-OE1 3.04Å
202Y90Very high86Confident35 Ų3575.7 Ų75.714%0.13739%0.387CS..SBendtrans-121.4150.4-175.3-58.7-71.9000111.9Q182 S200 H206 V209 E210Q182-Y202 HydrophobicContact CB-CE1 4.25Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 PolarHBondContact OG-N 3.25Å; S200-Y202 PolarHBondContact OG-O 3.02Å; Y202-H206 WeakPolarHBondContact CB-O 3.36Å; Y202-H206 HydrophobicContact CD1-CB 4.24Å; Y202-H206 HydrophobicContact CG-CB 4.49Å; Y202-V209 HydrophobicContact CD1-CB 4.5Å; Y202-V209 HydrophobicContact CD2-CB 4.13Å; Y202-V209 HydrophobicContact CD2-CG1 4.48Å; Y202-V209 HydrophobicContact CE1-CB 4.24Å; Y202-V209 HydrophobicContact CE1-CG1 4.14Å; Y202-V209 HydrophobicContact CE2-CB 3.86Å; Y202-V209 HydrophobicContact CE2-CG1 3.71Å; Y202-V209 HydrophobicContact CG-CB 4.45Å; Y202-V209 WeakPolarHBondContact OH-CG1 3.44Å; Y202-E210 HydrophobicContact CD2-CB 4.04Å; Y202-E210 HydrophobicContact CD2-CG 3.72Å; Y202-E210 HydrophobicContact CE2-CB 4.39Å; Y202-E210 HydrophobicContact CE2-CG 3.79Å
203C90.3Very high85.4Confident3 Ų379.7 Ų79.72%0.0241%0.411CS..  trans-72.7168.3170.866.70000109.8C181 M194 L195 E205 H206 M207C181-C203 HydrophobicContact CB-CB 3.85Å; C181-C203 PolarHBondContact SG-N 3.34Å; M194-C203 HydrophobicContact CB-CB 3.51Å; M194-C203 HydrophobicContact CG-CB 4.5Å; L195-C203 WeakPolarHBondContact O-CB 2.98Å; C203-E205 PolarHBondContact O-N 2.84Å; C203-H206 CarbonylContact O-C 3.44Å; C203-H206 PolarHBondContact O-N 3.4Å; C203-H206 PolarHBondContact SG-ND1 3.01Å; C203-M207 PolarHBondContact O-N 3.01Å
204G82Confident84.9Confident41 Ų4172.7 Ų72.742%0.42339%0.387SS..THydrogen-bonded Turntrans-50-39.118000000114.2R215G204-R215 WeakPolarHBondContact O-CD 3.49Å; G204-R215 PolarHBondContact O-NH1 2.84Å
205E83.4Confident84.6Confident105 Ų10568.7 Ų68.749%0.49137%0.366SS..THydrogen-bonded Turntrans-68.2-36.4176.9-73.7-55.6128.300114C203 R215C203-E205 PolarHBondContact O-N 2.84Å; E205-R215 IonicContact OE1-CZ 3.85Å; E205-R215 VanDerWaalsContact OE1-CZ 3.27Å; E205-R215 IonicContact OE1-NH1 3.56Å; E205-R215 PolarHBondContact OE1-NH1 2.77Å; E205-R215 VanDerWaalsContact OE1-NH1 3.11Å; E205-R215 IonicContact OE1-NH2 3.4Å; E205-R215 PolarHBondContact OE1-NH2 2.72Å; E205-R215 IonicContact OE2-CZ 2.84Å; E205-R215 IonicContact OE2-NH1 3.63Å; E205-R215 IonicContact OE2-NH2 2.74Å; E205-R215 PolarHBondContact OE2-NH2 3.39Å
206H87.7Confident84.5Confident31 Ų3165.5 Ų65.514%0.14435%0.351CS..THydrogen-bonded Turntrans-100.26.6-177.2-61.7111.3000113.3Y183 C192 Y202 C203 I208 V209Y183-H206 VanDerWaalsContact CB-CG 3.46Å; Y183-H206 AromaticContact CD1-CD2 3.17Å; Y183-H206 WeakPolarHBondContact CD1-CD2 3.4Å; Y183-H206 AromaticContact CD1-CE1 3.78Å; Y183-H206 AromaticContact CD1-CG 3.75Å; Y183-H206 AromaticContact CD1-NE2 3.19Å; Y183-H206 WeakPolarHBondContact CD1-NE2 3.23Å; Y183-H206 HydrophobicContact CD2-CB 3.96Å; Y183-H206 AromaticContact CD2-CD2 3.62Å; Y183-H206 AromaticContact CD2-CG 3.92Å; Y183-H206 AromaticContact CE1-CD2 3.48Å; Y183-H206 VanDerWaalsContact CE1-CD2 3.48Å; Y183-H206 WeakPolarHBondContact CE1-CD2 3.12Å; Y183-H206 AromaticContact CE1-NE2 3.49Å; Y183-H206 WeakPolarHBondContact CE1-NE2 3.37Å; Y183-H206 AromaticContact CE2-CD2 3.91Å; Y183-H206 HydrophobicContact CG-CB 3.84Å; Y183-H206 AromaticContact CG-CD2 3.23Å; Y183-H206 AromaticContact CG-CG 3.43Å; Y183-H206 VanDerWaalsContact CG-CG 3.43Å; Y183-H206 AromaticContact CG-NE2 3.75Å; Y183-H206 AromaticContact CZ-CD2 3.84Å; C192-H206 VanDerWaalsContact SG-CE1 3.53Å; Y202-H206 WeakPolarHBondContact CB-O 3.36Å; Y202-H206 HydrophobicContact CD1-CB 4.24Å; Y202-H206 HydrophobicContact CG-CB 4.49Å; C203-H206 CarbonylContact O-C 3.44Å; C203-H206 PolarHBondContact O-N 3.4Å; C203-H206 PolarHBondContact SG-ND1 3.01Å; H206-I208 PolarHBondContact O-N 2.91Å; H206-I208 VanDerWaalsContact O-N 3.08Å; H206-V209 PolarHBondContact O-N 2.92Å
207M85.6Confident84.2Confident44 Ų4468.4 Ų68.422%0.21737%0.368CS..G310 helixtrans-59.6-20.5177.7-149173.770.700112.2C203 V209 E210 D211 A214C203-M207 PolarHBondContact O-N 3.01Å; M207-V209 PolarHBondContact O-N 3.41Å; M207-V209 VanDerWaalsContact O-N 3.11Å; M207-E210 PolarHBondContact O-N 3.17Å; M207-D211 PolarHBondContact O-N 3.28Å; M207-A214 HydrophobicContact CE-CB 3.59Å
208I80.9Confident84.2Confident72 Ų7261.1 Ų61.137%0.36934%0.337SS..G310 helixtrans-57.4-20.6173.1-156.5166.9000113.8H206 D211 P212H206-I208 PolarHBondContact O-N 2.91Å; H206-I208 VanDerWaalsContact O-N 3.08Å; I208-D211 WeakPolarHBondContact CA-O 3.29Å; I208-D211 CarbonylContact O-C 3.57Å; I208-P212 VanDerWaalsContact O-CA 3.3Å; I208-P212 WeakPolarHBondContact O-CA 3.39Å
209V82.7Confident84.3Confident67 Ų6761 Ų6141%0.40634%0.336SS..G310 helixtrans-75.5-32.3175.7179.70000112.2Y183 Y202 H206 M207Y183-V209 HydrophobicContact CD2-CG2 3.56Å; Y183-V209 HydrophobicContact CE2-CG2 3.57Å; Y202-V209 HydrophobicContact CD1-CB 4.5Å; Y202-V209 HydrophobicContact CD2-CB 4.13Å; Y202-V209 HydrophobicContact CD2-CG1 4.48Å; Y202-V209 HydrophobicContact CE1-CB 4.24Å; Y202-V209 HydrophobicContact CE1-CG1 4.14Å; Y202-V209 HydrophobicContact CE2-CB 3.86Å; Y202-V209 HydrophobicContact CE2-CG1 3.71Å; Y202-V209 HydrophobicContact CG-CB 4.45Å; Y202-V209 WeakPolarHBondContact OH-CG1 3.44Å; H206-V209 PolarHBondContact O-N 2.92Å; M207-V209 PolarHBondContact O-N 3.41Å; M207-V209 VanDerWaalsContact O-N 3.11Å
210E82.6Confident84.1Confident75 Ų7556.5 Ų56.535%0.3531%0.312SS..THydrogen-bonded Turntrans-86.4-42.4176.5-105.5167-175.100111.6S200 R201 Y202 M207S200-E210 PolarHBondContact OG-OE2 3.4Å; R201-E210 WeakPolarHBondContact CB-OE1 3.4Å; R201-E210 WeakPolarHBondContact CG-OE1 3.48Å; R201-E210 IonicContact CZ-OE1 2.88Å; R201-E210 IonicContact NE-OE1 3.7Å; R201-E210 PolarHBondContact NE-OE1 2.74Å; R201-E210 IonicContact NH2-OE1 3.52Å; R201-E210 PolarHBondContact NH2-OE1 3.04Å; Y202-E210 HydrophobicContact CD2-CB 4.04Å; Y202-E210 HydrophobicContact CD2-CG 3.72Å; Y202-E210 HydrophobicContact CE2-CB 4.39Å; Y202-E210 HydrophobicContact CE2-CG 3.79Å; M207-E210 PolarHBondContact O-N 3.17Å
211D81.2Confident83.7Confident70 Ų7057.6 Ų57.637%0.37432%0.316SS..  trans-132.896.8177176.74.7000109.3M207 I208 T213 A214M207-D211 PolarHBondContact O-N 3.28Å; I208-D211 WeakPolarHBondContact CA-O 3.29Å; I208-D211 CarbonylContact O-C 3.57Å; D211-T213 PolarHBondContact O-N 3.48Å; D211-T213 WeakPolarHBondContact OD1-CA 3.35Å; D211-T213 WeakPolarHBondContact OD1-CB 3.33Å; D211-T213 PolarHBondContact OD1-N 2.84Å; D211-T213 PolarHBondContact OD1-OG1 2.93Å; D211-A214 HydrophobicContact CB-CB 3.9Å; D211-A214 VanDerWaalsContact O-CB 3.3Å; D211-A214 WeakPolarHBondContact O-CB 3.33Å; D211-A214 PolarHBondContact O-N 2.79Å; D211-A214 PolarHBondContact OD1-N 2.92Å; D211-A214 WeakPolarHBondContact OD2-CB 3.29Å
212P77.4Confident83.1Confident92 Ų9254.2 Ų54.260%0.59731%0.311SS*.THydrogen-bonded Turntrans-56.9-23.5178.4-24.633.6000113.5I208I208-P212 VanDerWaalsContact O-CA 3.3Å; I208-P212 WeakPolarHBondContact O-CA 3.39Å
213T78.7Confident82.3Confident91 Ų9159 Ų5956%0.55833%0.333SS*.THydrogen-bonded Turntrans-90.5-9.8-177.473.90000113.4D211 R215D211-T213 PolarHBondContact O-N 3.48Å; D211-T213 WeakPolarHBondContact OD1-CA 3.35Å; D211-T213 WeakPolarHBondContact OD1-CB 3.33Å; D211-T213 PolarHBondContact OD1-N 2.84Å; D211-T213 PolarHBondContact OD1-OG1 2.93Å; T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 3.06Å
214A80.5Confident81.7Confident12 Ų1261.7 Ų61.710%0.09934%0.344CS..SBendtrans-65.9-28.1-177.100000113.2M207 D211 C227 K228M207-A214 HydrophobicContact CE-CB 3.59Å; D211-A214 HydrophobicContact CB-CB 3.9Å; D211-A214 VanDerWaalsContact O-CB 3.3Å; D211-A214 WeakPolarHBondContact O-CB 3.33Å; D211-A214 PolarHBondContact O-N 2.79Å; D211-A214 PolarHBondContact OD1-N 2.92Å; D211-A214 WeakPolarHBondContact OD2-CB 3.29Å; A214-C227 CarbonylContact O-C 3.52Å; A214-C227 VanDerWaalsContact O-CA 3.29Å; A214-C227 WeakPolarHBondContact O-CA 3.41Å; A214-K228 PolarHBondContact O-N 3.07Å
215R86.5Confident81.8Confident29 Ų2961.5 Ų61.511%0.10934%0.335CS..EExtended strand (participates in β ladder)trans-119.7139.5179.8-60.8-168.474.8120.8-7.9111.1G204 E205 T213 T225 I226G204-R215 WeakPolarHBondContact O-CD 3.49Å; G204-R215 PolarHBondContact O-NH1 2.84Å; E205-R215 IonicContact OE1-CZ 3.85Å; E205-R215 VanDerWaalsContact OE1-CZ 3.27Å; E205-R215 IonicContact OE1-NH1 3.56Å; E205-R215 PolarHBondContact OE1-NH1 2.77Å; E205-R215 VanDerWaalsContact OE1-NH1 3.11Å; E205-R215 IonicContact OE1-NH2 3.4Å; E205-R215 PolarHBondContact OE1-NH2 2.72Å; E205-R215 IonicContact OE2-CZ 2.84Å; E205-R215 IonicContact OE2-NH1 3.63Å; E205-R215 IonicContact OE2-NH2 2.74Å; E205-R215 PolarHBondContact OE2-NH2 3.39Å; T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 3.06Å; R215-T225 PolarHBondContact NE-OG1 3.2Å; R215-T225 PolarHBondContact NH2-O 3.22Å; R215-T225 PolarHBondContact NH2-OG1 3.08Å; R215-I226 CarbonylContact C-O 3.56Å; R215-I226 WeakPolarHBondContact CA-O 3.44Å
216V87.1Confident82Confident40 Ų4057 Ų5724%0.24232%0.315CS..EExtended strand (participates in β ladder)trans-116.9149.8171.9-64.90000109.1T225 I226 K228 L231V216-T225 CarbonylContact O-C 3.33Å; V216-T225 WeakPolarHBondContact O-CA 3.43Å; V216-T225 WeakPolarHBondContact O-CB 3.44Å; V216-I226 PolarHBondContact N-O 2.8Å; V216-I226 PolarHBondContact O-N 3.49Å; V216-K228 HydrophobicContact CG1-CB 4.11Å; V216-K228 HydrophobicContact CG1-CD 4.25Å; V216-K228 HydrophobicContact CG1-CG 3.98Å; V216-L231 HydrophobicContact CG2-CD1 4.06Å; V216-L231 HydrophobicContact CG2-CD2 4.3Å
217V84.1Confident81.9Confident84 Ų8457.2 Ų57.251%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-61.7136.9170.3178.10000108.5P219 P222 T225V217-P219 WeakPolarHBondContact O-CD 3.29Å; V217-P222 HydrophobicContact CG1-CB 3.66Å; V217-T225 HydrophobicContact CG2-CG2 4.32Å
218C86.1Confident81.9Confident2 Ų261.3 Ų61.31%0.01434%0.336CS..  trans-64.1127.6177.8171.10000110.6L220 D221 H224 I226 H234C218-L220 PolarHBondContact O-N 3.36Å; C218-L220 PolarHBondContact SG-N 3.43Å; C218-L220 VanDerWaalsContact SG-N 3.36Å; C218-D221 VanDerWaalsContact CB-O 3.25Å; C218-D221 WeakPolarHBondContact CB-O 3.22Å; C218-D221 CarbonylContact O-C 3.51Å; C218-D221 PolarHBondContact O-N 3.36Å; C218-D221 PolarHBondContact SG-N 3.31Å; C218-H224 WeakPolarHBondContact CB-NE2 3.48Å; C218-H224 WeakPolarHBondContact CB-O 3.48Å; C218-H224 PolarHBondContact N-O 3.03Å; C218-H224 VanDerWaalsContact SG-CE1 3.51Å; C218-H224 PolarHBondContact SG-NE2 3.19Å; C218-H224 VanDerWaalsContact SG-NE2 3.41Å; C218-I226 VanDerWaalsContact CA-CD1 3.48Å; C218-I226 HydrophobicContact CB-CD1 3.46Å; C218-I226 VanDerWaalsContact CB-CD1 3.46Å; C218-I226 HydrophobicContact CB-CG1 3.86Å; C218-H234 PolarHBondContact SG-NE2 3.2Å; C218-H234 VanDerWaalsContact SG-NE2 3.37Å
219P84.1Confident82.3Confident83 Ų8363.9 Ų63.954%0.53936%0.355SS..SBendtrans-66.7-22.1179.6-19.530.7000113.8V217 L231 M235V217-P219 WeakPolarHBondContact O-CD 3.29Å; P219-L231 HydrophobicContact CG-CD1 3.93Å; P219-M235 HydrophobicContact CB-CE 3.83Å; P219-M235 HydrophobicContact CG-CE 4.03Å; P219-M235 HydrophobicContact CG-SD 4.15Å
220L79.9Confident82.6Confident61 Ų6162.6 Ų62.632%0.31935%0.349SS..SBendtrans-92.8-23.7179-60174.4000113.3C218 M235 C238 A240 R241C218-L220 PolarHBondContact O-N 3.36Å; C218-L220 PolarHBondContact SG-N 3.43Å; C218-L220 VanDerWaalsContact SG-N 3.36Å; L220-M235 HydrophobicContact CD1-CE 4.02Å; L220-M235 HydrophobicContact CD2-CE 3.86Å; L220-M235 HydrophobicContact CG-CE 3.61Å; L220-C238 HydrophobicContact CD1-CB 3.79Å; L220-A240 HydrophobicContact CB-CB 3.93Å; L220-A240 WeakPolarHBondContact O-CB 3.32Å; L220-R241 HydrophobicContact CD1-CB 3.9Å; L220-R241 HydrophobicContact CD1-CG 4.23Å
221D76.8Confident83Confident43 Ų4361.4 Ų61.423%0.2334%0.344CS..  trans-151.2100.2178.2-179.52.9000110.1C218 K223 H224 A240C218-D221 VanDerWaalsContact CB-O 3.25Å; C218-D221 WeakPolarHBondContact CB-O 3.22Å; C218-D221 CarbonylContact O-C 3.51Å; C218-D221 PolarHBondContact O-N 3.36Å; C218-D221 PolarHBondContact SG-N 3.31Å; D221-K223 PolarHBondContact O-N 3.16Å; D221-K223 VanDerWaalsContact OD1-CB 3.27Å; D221-K223 WeakPolarHBondContact OD1-CB 3.42Å; D221-K223 WeakPolarHBondContact OD1-CG 3.37Å; D221-K223 PolarHBondContact OD1-N 3.06Å; D221-K223 VanDerWaalsContact OD1-N 3.07Å; D221-H224 PolarHBondContact O-N 2.95Å; D221-H224 IonicContact OD2-ND1 2.73Å; D221-A240 HydrophobicContact CB-CB 3.71Å
222P77.7Confident83.4Confident59 Ų5962.8 Ų62.838%0.38336%0.36SS..THydrogen-bonded Turntrans-66.4-4.3-174.922.7-30.3000114.6V217 H224 N263V217-P222 HydrophobicContact CG1-CB 3.66Å; P222-H224 VanDerWaalsContact C-N 3.3Å; P222-H224 PolarHBondContact O-N 3.11Å; P222-N263 HydrophobicContact CG-CB 4.25Å; P222-N263 VanDerWaalsContact CG-CG 3.43Å; P222-N263 VanDerWaalsContact CG-ND2 3.33Å; P222-N263 WeakPolarHBondContact CG-ND2 3Å
223K72.5Confident84Confident136 Ų13666.6 Ų66.659%0.59136%0.362SS*.THydrogen-bonded Turntrans-76-14.8178.5-64.4172.7-168.9144.70114.2D221D221-K223 PolarHBondContact O-N 3.16Å; D221-K223 VanDerWaalsContact OD1-CB 3.27Å; D221-K223 WeakPolarHBondContact OD1-CB 3.42Å; D221-K223 WeakPolarHBondContact OD1-CG 3.37Å; D221-K223 PolarHBondContact OD1-N 3.06Å; D221-K223 VanDerWaalsContact OD1-N 3.07Å
224H78.6Confident84.5Confident58 Ų5864.1 Ų64.127%0.26934%0.344SS..SBendtrans-128.1154.9173.371.5-89.1000111.3C218 D221 P222 H234C218-H224 WeakPolarHBondContact CB-NE2 3.48Å; C218-H224 WeakPolarHBondContact CB-O 3.48Å; C218-H224 PolarHBondContact N-O 3.03Å; C218-H224 VanDerWaalsContact SG-CE1 3.51Å; C218-H224 PolarHBondContact SG-NE2 3.19Å; C218-H224 VanDerWaalsContact SG-NE2 3.41Å; D221-H224 PolarHBondContact O-N 2.95Å; D221-H224 IonicContact OD2-ND1 2.73Å; P222-H224 VanDerWaalsContact C-N 3.3Å; P222-H224 PolarHBondContact O-N 3.11Å; H224-H234 AromaticContact CD2-CE1 3.88Å; H224-H234 AromaticContact CD2-NE2 3.97Å; H224-H234 AromaticContact CE1-CE1 3.89Å; H224-H234 AromaticContact CE1-NE2 3.65Å; H224-H234 AromaticContact NE2-CE1 3.03Å; H224-H234 PolarHBondContact NE2-CE1 3.08Å; H224-H234 AromaticContact NE2-NE2 2.87Å; H224-H234 PolarHBondContact NE2-NE2 3.28Å
225T84.3Confident84.9Confident38 Ų3866.6 Ų66.623%0.23336%0.355CS..EExtended strand (participates in β ladder)trans-103.7160.6173.260.80000109.3R215 V216 V217R215-T225 PolarHBondContact NE-OG1 3.2Å; R215-T225 PolarHBondContact NH2-O 3.22Å; R215-T225 PolarHBondContact NH2-OG1 3.08Å; V216-T225 CarbonylContact O-C 3.33Å; V216-T225 WeakPolarHBondContact O-CA 3.43Å; V216-T225 WeakPolarHBondContact O-CB 3.44Å; V217-T225 HydrophobicContact CG2-CG2 4.32Å
226I87Confident84.9Confident11 Ų1168 Ų686%0.05637%0.372CS..EExtended strand (participates in β ladder)trans-134.6146.5-179.3-42.4146.9000106.9R215 V216 C218 K228 L231 H234R215-I226 CarbonylContact C-O 3.56Å; R215-I226 WeakPolarHBondContact CA-O 3.44Å; V216-I226 PolarHBondContact N-O 2.8Å; V216-I226 PolarHBondContact O-N 3.49Å; C218-I226 VanDerWaalsContact CA-CD1 3.48Å; C218-I226 HydrophobicContact CB-CD1 3.46Å; C218-I226 VanDerWaalsContact CB-CD1 3.46Å; C218-I226 HydrophobicContact CB-CG1 3.86Å; I226-K228 PolarHBondContact O-N 2.86Å; I226-L231 HydrophobicContact CD1-CD1 3.61Å; I226-H234 HydrophobicContact CD1-CB 4.12Å; I226-H234 WeakPolarHBondContact CD1-CD2 3.39Å; I226-H234 HydrophobicContact CG1-CB 4.36Å; I226-H234 HydrophobicContact CG2-CB 3.59Å
227C85.1Confident84.8Confident34 Ų3471.1 Ų71.123%0.2339%0.391CS..EExtended strand (participates in β ladder)trans-52.9128.7165.1-87.10000110A214 T229 S230 L231A214-C227 CarbonylContact O-C 3.52Å; A214-C227 VanDerWaalsContact O-CA 3.29Å; A214-C227 WeakPolarHBondContact O-CA 3.41Å; C227-T229 PolarHBondContact O-N 3.08Å; C227-S230 CarbonylContact O-C 3.54Å; C227-S230 WeakPolarHBondContact O-CA 3.34Å; C227-S230 PolarHBondContact O-N 3.29Å; C227-L231 PolarHBondContact O-N 3.3Å
228K87Confident84.8Confident131 Ų13167.4 Ų67.457%0.5737%0.369SS*.G310 helixtrans-52.9-38.8179-172176.3178.5-179.90111.6A214 V216 I226 S230 L231A214-K228 PolarHBondContact O-N 3.07Å; V216-K228 HydrophobicContact CG1-CB 4.11Å; V216-K228 HydrophobicContact CG1-CD 4.25Å; V216-K228 HydrophobicContact CG1-CG 3.98Å; I226-K228 PolarHBondContact O-N 2.86Å; K228-S230 VanDerWaalsContact C-N 3.25Å; K228-S230 PolarHBondContact O-N 3.49Å; K228-L231 WeakPolarHBondContact O-CB 3.32Å; K228-L231 PolarHBondContact O-N 2.92Å
229T88.7Confident84.4Confident126 Ų12673.8 Ų73.877%0.77340%0.403SS*.G310 helixtrans-68.6-17.8176.352.40000114.7C227C227-T229 PolarHBondContact O-N 3.08Å
230S89.7Confident84.1Confident40 Ų4070.8 Ų70.828%0.2839%0.385SS..G310 helixtrans-107.14.8179.2-67.50000112.9C227 K228 S232 R233 H234C227-S230 CarbonylContact O-C 3.54Å; C227-S230 WeakPolarHBondContact O-CA 3.34Å; C227-S230 PolarHBondContact O-N 3.29Å; K228-S230 VanDerWaalsContact C-N 3.25Å; K228-S230 PolarHBondContact O-N 3.49Å; S230-S232 PolarHBondContact O-N 3.28Å; S230-R233 PolarHBondContact O-N 2.8Å; S230-H234 VanDerWaalsContact O-CB 3.32Å; S230-H234 WeakPolarHBondContact O-CB 3.37Å; S230-H234 PolarHBondContact O-N 3.04Å
231L89.6Confident84Confident49 Ų4972.2 Ų72.226%0.25739%0.386SS..Hα-helixtrans-55.1-54.1-173178.261.8000112V216 P219 I226 C227 K228 R233 H234 M235V216-L231 HydrophobicContact CG2-CD1 4.06Å; V216-L231 HydrophobicContact CG2-CD2 4.3Å; P219-L231 HydrophobicContact CG-CD1 3.93Å; I226-L231 HydrophobicContact CD1-CD1 3.61Å; C227-L231 PolarHBondContact O-N 3.3Å; K228-L231 WeakPolarHBondContact O-CB 3.32Å; K228-L231 PolarHBondContact O-N 2.92Å; L231-R233 PolarHBondContact O-N 2.87Å; L231-H234 WeakPolarHBondContact O-CB 3.44Å; L231-H234 PolarHBondContact O-N 3.21Å; L231-H234 VanDerWaalsContact O-N 3.14Å; L231-M235 HydrophobicContact CD1-CG 4.22Å; L231-M235 VanDerWaalsContact O-CG 3.3Å; L231-M235 WeakPolarHBondContact O-CG 3.35Å; L231-M235 PolarHBondContact O-N 2.85Å
232S89.5Confident84.2Confident99 Ų9974.8 Ų74.869%0.69240%0.399SS*.Hα-helixtrans-61-43.2-178.728.80000112.6S230 H234 M235S230-S232 PolarHBondContact O-N 3.28Å; S232-H234 PolarHBondContact O-N 3.23Å; S232-M235 PolarHBondContact O-N 3.46Å
233R90Very high84.5Confident173 Ų17373.7 Ų73.765%0.65339%0.39SS*.Hα-helixtrans-63.4-42.5174.4-171.3-176.3-64.1106.3-0111.5S230 L231 A236S230-R233 PolarHBondContact O-N 2.8Å; L231-R233 PolarHBondContact O-N 2.87Å; R233-A236 PolarHBondContact O-N 2.92Å
234H89.2Confident85.1Confident38 Ų3869.8 Ų69.818%0.17638%0.38CS..Hα-helixtrans-63.3-42.8178.9174.684.1000112C218 H224 I226 S230 L231 S232 A236 V237 C238C218-H234 PolarHBondContact SG-NE2 3.2Å; C218-H234 VanDerWaalsContact SG-NE2 3.37Å; H224-H234 AromaticContact CD2-CE1 3.88Å; H224-H234 AromaticContact CD2-NE2 3.97Å; H224-H234 AromaticContact CE1-CE1 3.89Å; H224-H234 AromaticContact CE1-NE2 3.65Å; H224-H234 AromaticContact NE2-CE1 3.03Å; H224-H234 PolarHBondContact NE2-CE1 3.08Å; H224-H234 AromaticContact NE2-NE2 2.87Å; H224-H234 PolarHBondContact NE2-NE2 3.28Å; I226-H234 HydrophobicContact CD1-CB 4.12Å; I226-H234 WeakPolarHBondContact CD1-CD2 3.39Å; I226-H234 HydrophobicContact CG1-CB 4.36Å; I226-H234 HydrophobicContact CG2-CB 3.59Å; S230-H234 VanDerWaalsContact O-CB 3.32Å; S230-H234 WeakPolarHBondContact O-CB 3.37Å; S230-H234 PolarHBondContact O-N 3.04Å; L231-H234 WeakPolarHBondContact O-CB 3.44Å; L231-H234 PolarHBondContact O-N 3.21Å; L231-H234 VanDerWaalsContact O-N 3.14Å; S232-H234 PolarHBondContact O-N 3.23Å; H234-A236 PolarHBondContact O-N 3.08Å; H234-V237 CarbonylContact O-C 3.56Å; H234-V237 PolarHBondContact O-N 3.08Å; H234-C238 WeakPolarHBondContact NE2-CB 3.02Å; H234-C238 PolarHBondContact NE2-SG 3.04Å; H234-C238 WeakPolarHBondContact O-CA 3.29Å; H234-C238 WeakPolarHBondContact O-CB 3.26Å; H234-C238 PolarHBondContact O-N 3.27Å
235M89Confident85.5Confident65 Ų6572.3 Ų72.332%0.3239%0.392SS..Hα-helixtrans-58.5-31.6-180-65.7-156.580.800112.5P219 L220 L231 S232 R241P219-M235 HydrophobicContact CB-CE 3.83Å; P219-M235 HydrophobicContact CG-CE 4.03Å; P219-M235 HydrophobicContact CG-SD 4.15Å; L220-M235 HydrophobicContact CD1-CE 4.02Å; L220-M235 HydrophobicContact CD2-CE 3.86Å; L220-M235 HydrophobicContact CG-CE 3.61Å; L231-M235 HydrophobicContact CD1-CG 4.22Å; L231-M235 VanDerWaalsContact O-CG 3.3Å; L231-M235 WeakPolarHBondContact O-CG 3.35Å; L231-M235 PolarHBondContact O-N 2.85Å; S232-M235 PolarHBondContact O-N 3.46Å; M235-R241 WeakPolarHBondContact O-CD 3.49Å
236A86.9Confident85.9Confident58 Ų5873.8 Ų73.848%0.47940%0.396SS..Hα-helixtrans-72.1-27.417600000113.8R233 H234 R241R233-A236 PolarHBondContact O-N 2.92Å; H234-A236 PolarHBondContact O-N 3.08Å; A236-R241 PolarHBondContact O-NH1 3.41Å
237V85.6Confident86.2Confident106 Ų10677.1 Ų77.164%0.64242%0.418SS*.Hα-helixtrans-117.58.3-174.3-56.10000113.3H234 N239H234-V237 CarbonylContact O-C 3.56Å; H234-V237 PolarHBondContact O-N 3.08Å; V237-N239 PolarHBondContact O-N 3.28Å
238C82.8Confident86.7Confident5 Ų577.3 Ų77.33%0.03441%0.414CS..  trans-69128.1-178.5-172.50000109.6L220 H234 A240 R241L220-C238 HydrophobicContact CD1-CB 3.79Å; H234-C238 WeakPolarHBondContact NE2-CB 3.02Å; H234-C238 PolarHBondContact NE2-SG 3.04Å; H234-C238 WeakPolarHBondContact O-CA 3.29Å; H234-C238 WeakPolarHBondContact O-CB 3.26Å; H234-C238 PolarHBondContact O-N 3.27Å; C238-A240 PolarHBondContact O-N 3.25Å; C238-A240 VanDerWaalsContact O-N 3.13Å; C238-R241 VanDerWaalsContact O-CB 3.23Å; C238-R241 WeakPolarHBondContact O-CB 3.42Å; C238-R241 PolarHBondContact O-N 2.96Å
239N79Confident87Confident136 Ų13673.7 Ų73.773%0.72740%0.398SS*.Hα-helixtrans-59.6-26.3176.4-69-27.6000112.6V237 R241 L242V237-N239 PolarHBondContact O-N 3.28Å; N239-R241 VanDerWaalsContact C-N 3.26Å; N239-R241 PolarHBondContact O-N 3.17Å; N239-L242 PolarHBondContact O-N 2.92Å
240A77.5Confident87.2Confident21 Ų2174.1 Ų74.117%0.17439%0.385CS..Hα-helixtrans-67.7-25.9176.200000113L220 D221 C238 L243 S244L220-A240 HydrophobicContact CB-CB 3.93Å; L220-A240 WeakPolarHBondContact O-CB 3.32Å; D221-A240 HydrophobicContact CB-CB 3.71Å; C238-A240 PolarHBondContact O-N 3.25Å; C238-A240 VanDerWaalsContact O-N 3.13Å; A240-L243 PolarHBondContact O-N 3.34Å; A240-S244 PolarHBondContact O-N 3.14Å; A240-S244 PolarHBondContact O-OG 2.72Å
241R78.1Confident87.2Confident91 Ų9178.3 Ų78.334%0.34340%0.395SS..Hα-helixtrans-63.1-44.3174.7-158-169.798.9-1728111.5L220 M235 A236 C238 N239 L243 S244 E245L220-R241 HydrophobicContact CD1-CB 3.9Å; L220-R241 HydrophobicContact CD1-CG 4.23Å; M235-R241 WeakPolarHBondContact O-CD 3.49Å; A236-R241 PolarHBondContact O-NH1 3.41Å; C238-R241 VanDerWaalsContact O-CB 3.23Å; C238-R241 WeakPolarHBondContact O-CB 3.42Å; C238-R241 PolarHBondContact O-N 2.96Å; N239-R241 VanDerWaalsContact C-N 3.26Å; N239-R241 PolarHBondContact O-N 3.17Å; R241-L243 PolarHBondContact O-N 2.97Å; R241-S244 PolarHBondContact O-N 3.11Å; R241-S244 PolarHBondContact O-OG 2.86Å; R241-E245 IonicContact CZ-OE1 3.5Å; R241-E245 IonicContact NE-OE1 2.64Å; R241-E245 PolarHBondContact NE-OE1 3.12Å; R241-E245 IonicContact NE-OE2 2.68Å; R241-E245 IonicContact NH2-OE1 3.61Å; R241-E245 PolarHBondContact NH2-OE1 2.83Å; R241-E245 IonicContact NH2-OE2 3.82Å; R241-E245 WeakPolarHBondContact O-CG 3.48Å; R241-E245 PolarHBondContact O-N 3.47Å
242L81.3Confident87.3Confident96 Ų9676.7 Ų76.750%0.50339%0.387SS..Hα-helixtrans-59.5-35.4179.7-63.3172.7000111.6N239 Q246N239-L242 PolarHBondContact O-N 2.92Å; L242-Q246 WeakPolarHBondContact O-CG 3.43Å; L242-Q246 PolarHBondContact O-NE2 3.21Å
243L83.7Confident87.5Confident36 Ų3673.3 Ų73.319%0.18836%0.362CS..Hα-helixtrans-69.4-46.9177176.159.2000111.8A240 R241 E245 Q246 Y249 Q403 P405A240-L243 PolarHBondContact O-N 3.34Å; R241-L243 PolarHBondContact O-N 2.97Å; L243-E245 PolarHBondContact O-N 2.97Å; L243-Q246 WeakPolarHBondContact O-CB 3.4Å; L243-Q246 WeakPolarHBondContact O-CG 3.48Å; L243-Q246 PolarHBondContact O-N 2.73Å; L243-Y249 HydrophobicContact CD1-CD2 3.77Å; L243-Y249 HydrophobicContact CD1-CE2 4.31Å; L243-Y249 HydrophobicContact CD2-CD2 4.18Å; L243-Y249 HydrophobicContact CD2-CE2 3.86Å; L243-Y249 HydrophobicContact CG-CD2 3.59Å; L243-Y249 HydrophobicContact CG-CE2 3.68Å; L243-Y249 HydrophobicContact CG-CG 4.5Å; L243-Y249 WeakPolarHBondContact O-CB 3.49Å; L243-Q403 WeakPolarHBondContact CD1-O 3.23Å; L243-P405 HydrophobicContact CD2-CG 4.41Å
244S84.2Confident87.8Confident55 Ų5565.1 Ų65.139%0.38533%0.332SS..Hα-helixtrans-65.6-19-179.7540000114.1A240 R241A240-S244 PolarHBondContact O-N 3.14Å; A240-S244 PolarHBondContact O-OG 2.72Å; R241-S244 PolarHBondContact O-N 3.11Å; R241-S244 PolarHBondContact O-OG 2.86Å
245E88.5Confident88Confident111 Ų11163.6 Ų63.652%0.51933%0.325SS..THydrogen-bonded Turntrans-87.7-4.7175.9-69.7172.3-177.500112.9R241 L243R241-E245 IonicContact CZ-OE1 3.5Å; R241-E245 IonicContact NE-OE1 2.64Å; R241-E245 PolarHBondContact NE-OE1 3.12Å; R241-E245 IonicContact NE-OE2 2.68Å; R241-E245 IonicContact NH2-OE1 3.61Å; R241-E245 PolarHBondContact NH2-OE1 2.83Å; R241-E245 IonicContact NH2-OE2 3.82Å; R241-E245 WeakPolarHBondContact O-CG 3.48Å; R241-E245 PolarHBondContact O-N 3.47Å; L243-E245 PolarHBondContact O-N 2.97Å
246Q91.7Very high88.2Confident69 Ų6964 Ų6432%0.32232%0.324SS..SBendtrans-74.2143.7178.1-61.2-54-62.600111.6L242 L243 W248 Y249L242-Q246 WeakPolarHBondContact O-CG 3.43Å; L242-Q246 PolarHBondContact O-NE2 3.21Å; L243-Q246 WeakPolarHBondContact O-CB 3.4Å; L243-Q246 WeakPolarHBondContact O-CG 3.48Å; L243-Q246 PolarHBondContact O-N 2.73Å; Q246-W248 VanDerWaalsContact C-N 3.28Å; Q246-W248 HydrophobicContact CB-CD2 4.13Å; Q246-W248 HydrophobicContact CB-CG 4.44Å; Q246-W248 HydrophobicContact CB-CZ2 3.83Å; Q246-W248 HydrophobicContact CG-CZ2 3.73Å; Q246-W248 PolarHBondContact O-N 3.45Å; Q246-Y249 WeakPolarHBondContact O-CB 3.18Å; Q246-Y249 PolarHBondContact O-N 2.87Å; Q246-Y249 VanDerWaalsContact O-N 3.08Å
247P93.7Very high88.3Confident80 Ų8064 Ų6452%0.51932%0.317SS..THydrogen-bonded Turntrans-63.7-34.2-17723.8-32000112.7Y249 D413P247-Y249 PolarHBondContact O-N 3.09Å; P247-D413 WeakPolarHBondContact O-CB 3.38Å
248W94.6Very high88.3Confident39 Ų3964.2 Ų64.215%0.14831%0.309CS..THydrogen-bonded Turntrans-81.28.4178.256.472.6000114.5Q246 I402 L409 V410 D413 V414Q246-W248 VanDerWaalsContact C-N 3.28Å; Q246-W248 HydrophobicContact CB-CD2 4.13Å; Q246-W248 HydrophobicContact CB-CG 4.44Å; Q246-W248 HydrophobicContact CB-CZ2 3.83Å; Q246-W248 HydrophobicContact CG-CZ2 3.73Å; Q246-W248 PolarHBondContact O-N 3.45Å; W248-I402 HydrophobicContact CD2-CD1 4.47Å; W248-I402 HydrophobicContact CZ2-CG2 4.45Å; W248-L409 HydrophobicContact CB-CD1 4.01Å; W248-L409 HydrophobicContact CG-CD1 4.06Å; W248-L409 WeakPolarHBondContact O-CA 3.25Å; W248-V410 PolarHBondContact O-N 3.01Å; W248-D413 HydrophobicContact CB-CB 4.09Å; W248-V414 HydrophobicContact CB-CG2 3.68Å; W248-V414 HydrophobicContact CD2-CG2 4.42Å; W248-V414 HydrophobicContact CG-CG2 4.08Å
249Y94.3Very high88.2Confident55 Ų5571.1 Ų71.122%0.21635%0.345CS..BIsolated β-bridgetrans-99.3118.8-179.9-175.5-87.5000111.4L243 Q246 P247 Y251 H408L243-Y249 HydrophobicContact CD1-CD2 3.77Å; L243-Y249 HydrophobicContact CD1-CE2 4.31Å; L243-Y249 HydrophobicContact CD2-CD2 4.18Å; L243-Y249 HydrophobicContact CD2-CE2 3.86Å; L243-Y249 HydrophobicContact CG-CD2 3.59Å; L243-Y249 HydrophobicContact CG-CE2 3.68Å; L243-Y249 HydrophobicContact CG-CG 4.5Å; L243-Y249 WeakPolarHBondContact O-CB 3.49Å; Q246-Y249 WeakPolarHBondContact O-CB 3.18Å; Q246-Y249 PolarHBondContact O-N 2.87Å; Q246-Y249 VanDerWaalsContact O-N 3.08Å; P247-Y249 PolarHBondContact O-N 3.09Å; Y249-Y251 WeakPolarHBondContact OH-CD2 3.21Å; Y249-H408 HydrophobicContact CD2-CB 3.76Å; Y249-H408 HydrophobicContact CE2-CB 3.54Å; Y249-H408 AromaticContact CE2-CD2 3.5Å; Y249-H408 AromaticContact CE2-CG 3.72Å; Y249-H408 AromaticContact CZ-CD2 3.96Å
250R92.9Very high88Confident135 Ų13565 Ų6551%0.50931%0.314SS..  trans-136.6118.4166.4-171.6178.4-65.6151.54.3109.6N252 V253 H408 V410R250-N252 PolarHBondContact O-N 2.99Å; R250-V253 HydrophobicContact CB-CB 4.03Å; R250-V253 HydrophobicContact CB-CG1 4.23Å; R250-V253 HydrophobicContact CG-CB 4.15Å; R250-V253 HydrophobicContact CG-CG2 4.46Å; R250-V253 WeakPolarHBondContact O-CG1 3.04Å; R250-V253 PolarHBondContact O-N 3.02Å; R250-H408 PolarHBondContact N-O 3.08Å; R250-H408 CarbonylContact O-C 3.4Å; R250-H408 WeakPolarHBondContact O-CA 3.38Å; R250-H408 VanDerWaalsContact O-O 3.09Å; R250-V410 HydrophobicContact CB-CG2 3.59Å
251Y89.6Confident87.5Confident127 Ų12767.6 Ų67.650%0.49833%0.325SS..THydrogen-bonded Turntrans-54.9131.4-173.9-170.2-110.5000112Y249 V253 H408Y249-Y251 WeakPolarHBondContact OH-CD2 3.21Å; Y251-V253 PolarHBondContact O-N 2.68Å; Y251-H408 AromaticContact CD2-CE1 3.58Å; Y251-H408 AromaticContact CD2-ND1 3.88Å; Y251-H408 AromaticContact CE2-CE1 3.59Å
252N92.2Very high86.7Confident16 Ų1665.1 Ų65.19%0.08632%0.318CS..THydrogen-bonded Turntrans49.220.5179.3-66.6-7.9000117.1R250 N254 L255 E407 H408R250-N252 PolarHBondContact O-N 2.99Å; N252-N254 PolarHBondContact O-N 2.79Å; N252-N254 VanDerWaalsContact O-N 3.1Å; N252-L255 HydrophobicContact CB-CB 4.4Å; N252-L255 HydrophobicContact CB-CD1 3.69Å; N252-L255 HydrophobicContact CB-CG 3.91Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.11Å; N252-L255 PolarHBondContact O-N 3.3Å; N252-L255 VanDerWaalsContact O-N 3.11Å; N252-E407 CarbonylContact C-O 3.19Å; N252-E407 VanDerWaalsContact CA-O 3.22Å; N252-E407 WeakPolarHBondContact CA-O 3.46Å; N252-H408 PolarHBondContact N-ND1 2.8Å; N252-H408 PolarHBondContact OD1-CE1 2.64Å; N252-H408 PolarHBondContact OD1-ND1 2.91Å
253V93.8Very high85.5Confident27 Ų2764.2 Ų64.216%0.16431%0.313CS..THydrogen-bonded Turntrans-59-27.1-177.970.70000113.2R250 Y251 K258 E407 V410 N444R250-V253 HydrophobicContact CB-CB 4.03Å; R250-V253 HydrophobicContact CB-CG1 4.23Å; R250-V253 HydrophobicContact CG-CB 4.15Å; R250-V253 HydrophobicContact CG-CG2 4.46Å; R250-V253 WeakPolarHBondContact O-CG1 3.04Å; R250-V253 PolarHBondContact O-N 3.02Å; Y251-V253 PolarHBondContact O-N 2.68Å; V253-K258 PolarHBondContact O-NZ 3.23Å; V253-E407 PolarHBondContact N-O 3.47Å; V253-E407 VanDerWaalsContact N-O 3.09Å; V253-V410 HydrophobicContact CG1-CG2 4.01Å; V253-V410 HydrophobicContact CG2-CG2 4.39Å; V253-N444 PolarHBondContact O-ND2 3.44Å
254N95.4Very high83.9Confident2 Ų267.6 Ų67.61%0.01134%0.336CS..THydrogen-bonded Turntrans-111.416.2178.9-55-43.2000114N252 I406 E407 L409 A437 C440 C441 N444N252-N254 PolarHBondContact O-N 2.79Å; N252-N254 VanDerWaalsContact O-N 3.1Å; N254-I406 PolarHBondContact ND2-O 3.07Å; N254-E407 PolarHBondContact N-O 3.29Å; N254-L409 PolarHBondContact ND2-O 3.35Å; N254-A437 WeakPolarHBondContact CB-O 3.01Å; N254-C440 HydrophobicContact CB-CB 4.12Å; N254-C440 VanDerWaalsContact O-CB 3.32Å; N254-C440 WeakPolarHBondContact O-CB 3.25Å; N254-C441 HydrophobicContact CB-CB 4.23Å; N254-C441 WeakPolarHBondContact ND2-CB 3.29Å; N254-C441 PolarHBondContact ND2-SG 2.63Å; N254-C441 VanDerWaalsContact ND2-SG 3.36Å; N254-C441 WeakPolarHBondContact OD1-CA 3.48Å; N254-N444 PolarHBondContact OD1-ND2 3.35Å
255L93.6Very high82.7Confident6 Ų667.3 Ų67.33%0.03133%0.327CS..  trans-70.6139.4162.7-70.1-171.2000110N252 D257 K258 S260 I262 E407N252-L255 HydrophobicContact CB-CB 4.4Å; N252-L255 HydrophobicContact CB-CD1 3.69Å; N252-L255 HydrophobicContact CB-CG 3.91Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.11Å; N252-L255 PolarHBondContact O-N 3.3Å; N252-L255 VanDerWaalsContact O-N 3.11Å; L255-D257 WeakPolarHBondContact CB-O 3.46Å; L255-K258 PolarHBondContact O-NZ 2.66Å; L255-S260 VanDerWaalsContact CD1-O 3.27Å; L255-S260 WeakPolarHBondContact CD1-O 3.43Å; L255-I262 HydrophobicContact CD1-CD1 3.85Å; L255-I262 HydrophobicContact CD1-CG1 3.72Å; L255-I262 HydrophobicContact CD2-CD1 3.64Å; L255-I262 HydrophobicContact CD2-CG1 3.9Å; L255-I262 HydrophobicContact CG-CD1 4.09Å; L255-I262 HydrophobicContact CG-CG1 4.37Å; L255-E407 HydrophobicContact CD2-CB 3.9Å; L255-E407 HydrophobicContact CG-CB 4.35Å
256F92.5Very high81.1Confident72 Ų7264.6 Ų64.632%0.31633%0.329SS..SBendtrans-65.2-58.5173.8-178.4-103000110.3F470 C471 Q473 F548F256-F470 WeakPolarHBondContact CD1-O 3.46Å; F256-C471 HydrophobicContact CD2-CB 3.88Å; F256-C471 HydrophobicContact CE2-CB 4.36Å; F256-C471 HydrophobicContact CG-CB 4.45Å; F256-Q473 VanDerWaalsContact CD1-NE2 3.34Å; F256-Q473 HydrophobicContact CE1-CB 4.18Å; F256-Q473 HydrophobicContact CE1-CG 4.24Å; F256-Q473 VanDerWaalsContact CE1-NE2 3.33Å; F256-F548 HydrophobicContact CD2-CE2 4.44Å; F256-F548 HydrophobicContact CE2-CE2 4.25Å
257D90.1Very high79.4Confident60 Ų6069.4 Ų69.432%0.32135%0.349SS..SBendtrans-86.1111.6165.8178.55.4000110.1L255 N259 S260 S468L255-D257 WeakPolarHBondContact CB-O 3.46Å; D257-N259 PolarHBondContact O-N 3.3Å; D257-N259 WeakPolarHBondContact OD1-CB 3.3Å; D257-N259 PolarHBondContact OD1-N 2.91Å; D257-S260 WeakPolarHBondContact O-CB 3.3Å; D257-S260 PolarHBondContact O-N 3.06Å; D257-S260 VanDerWaalsContact O-N 3.13Å; D257-S468 WeakPolarHBondContact CB-O 3.44Å; D257-S468 PolarHBondContact N-O 3.04Å
258K84.4Confident77.9Confident109 Ų10968 Ų6847%0.47434%0.335SS..THydrogen-bonded Turntrans-63.5-21.3179.4-57.8-55-177.4-156.30113.4V253 L255V253-K258 PolarHBondContact O-NZ 3.23Å; L255-K258 PolarHBondContact O-NZ 2.66Å
259N81Confident76.3Confident150 Ų15074.1 Ų74.180%0.80237%0.365SS*.THydrogen-bonded Turntrans-92-5.6180-58.4-40.7000112.8D257 D261D257-N259 PolarHBondContact O-N 3.3Å; D257-N259 WeakPolarHBondContact OD1-CB 3.3Å; D257-N259 PolarHBondContact OD1-N 2.91Å; N259-D261 PolarHBondContact O-N 3.07Å
260S75.7Confident75.1Confident9 Ų979.7 Ų79.76%0.06339%0.386CS..  trans-67.2118178.2174.90000110.8L255 D257 I262 S468 N469L255-S260 VanDerWaalsContact CD1-O 3.27Å; L255-S260 WeakPolarHBondContact CD1-O 3.43Å; D257-S260 WeakPolarHBondContact O-CB 3.3Å; D257-S260 PolarHBondContact O-N 3.06Å; D257-S260 VanDerWaalsContact O-N 3.13Å; S260-I262 PolarHBondContact O-N 3.44Å; S260-S468 PolarHBondContact OG-OG 3.35Å; S260-N469 VanDerWaalsContact CB-OD1 3.32Å; S260-N469 WeakPolarHBondContact CB-OD1 3.45Å; S260-N469 PolarHBondContact OG-OD1 2.67Å
261D65.8Low73.9Confident75 Ų7577 Ų7740%0.40138%0.379SS..  trans-85109.9171.4-166.1-9.6000110.3N259 N263 T264N259-D261 PolarHBondContact O-N 3.07Å; D261-N263 PolarHBondContact O-N 2.73Å; D261-N263 WeakPolarHBondContact OD1-CB 3.47Å; D261-N263 PolarHBondContact OD1-N 2.82Å; D261-T264 HydrophobicContact CB-CG2 4.2Å; D261-T264 PolarHBondContact O-OG1 3.11Å
262I62.3Low73.4Confident38 Ų3876.6 Ų76.620%0.19539%0.392CS..G310 helixtrans-65.1-27.1179.8-46.4171.4000110.8L255 S260 T264 E407L255-I262 HydrophobicContact CD1-CD1 3.85Å; L255-I262 HydrophobicContact CD1-CG1 3.72Å; L255-I262 HydrophobicContact CD2-CD1 3.64Å; L255-I262 HydrophobicContact CD2-CG1 3.9Å; L255-I262 HydrophobicContact CG-CD1 4.09Å; L255-I262 HydrophobicContact CG-CG1 4.37Å; S260-I262 PolarHBondContact O-N 3.44Å; I262-T264 VanDerWaalsContact C-N 3.35Å; I262-T264 PolarHBondContact O-N 3.37Å; I262-E407 HydrophobicContact CD1-CB 3.99Å; I262-E407 HydrophobicContact CD1-CG 3.6Å
263N55.4Low73Confident77 Ų7777 Ų7741%0.41240%0.395SS..G310 helixtrans-80.1-13.7-171.9-66-52.6000114.1P222 D261 K265P222-N263 HydrophobicContact CG-CB 4.25Å; P222-N263 VanDerWaalsContact CG-CG 3.43Å; P222-N263 VanDerWaalsContact CG-ND2 3.33Å; P222-N263 WeakPolarHBondContact CG-ND2 3Å; D261-N263 PolarHBondContact O-N 2.73Å; D261-N263 WeakPolarHBondContact OD1-CB 3.47Å; D261-N263 PolarHBondContact OD1-N 2.82Å; N263-K265 VanDerWaalsContact C-N 3.32Å
264T50.1Low72.5Confident108 Ų10878.1 Ų78.166%0.66340%0.402SS*.G310 helixtrans-86.3-5.5178.257.70000113.2D261 I262 G266D261-T264 HydrophobicContact CB-CG2 4.2Å; D261-T264 PolarHBondContact O-OG1 3.11Å; I262-T264 VanDerWaalsContact C-N 3.35Å; I262-T264 PolarHBondContact O-N 3.37Å; T264-G266 PolarHBondContact O-N 2.71Å; T264-G266 VanDerWaalsContact O-N 3.08Å
265K58.6Low71.8Confident48 Ų4878 Ų7821%0.20940%0.402CS..  trans-80.497.8-172.9-69.6178.2170.9-175.40111N263 D433 Y466 S468 N469N263-K265 VanDerWaalsContact C-N 3.32Å; K265-D433 IonicContact NZ-OD2 3.64Å; K265-D433 PolarHBondContact NZ-OD2 3.08Å; K265-Y466 HydrophobicContact CB-CE1 3.92Å; K265-Y466 HydrophobicContact CB-CE2 4.11Å; K265-Y466 HydrophobicContact CD-CD1 3.74Å; K265-Y466 HydrophobicContact CD-CD2 3.6Å; K265-Y466 HydrophobicContact CD-CE1 3.93Å; K265-Y466 HydrophobicContact CD-CE2 3.77Å; K265-Y466 HydrophobicContact CD-CG 3.57Å; K265-Y466 HydrophobicContact CG-CD1 4.06Å; K265-Y466 HydrophobicContact CG-CE1 3.87Å; K265-Y466 HydrophobicContact CG-CE2 4.34Å; K265-Y466 HydrophobicContact CG-CG 4.38Å; K265-S468 PolarHBondContact NZ-OG 3.43Å; K265-N469 VanDerWaalsContact NZ-CG 3.33Å; K265-N469 PolarHBondContact NZ-ND2 3.31Å
266G55.8Low71.4Confident54 Ų5481.7 Ų81.756%0.55742%0.421SS*.  trans-61.3-176.1175.400000113.9T264 F268 Y466T264-G266 PolarHBondContact O-N 2.71Å; T264-G266 VanDerWaalsContact O-N 3.08Å; G266-F268 PolarHBondContact O-N 3.27Å; G266-Y466 PolarHBondContact O-OH 3.05Å; G266-Y466 VanDerWaalsContact O-OH 3.05Å
267K56Low71.3Confident171 Ų17179.4 Ų79.474%0.74341%0.412SS*.SBendtrans-55.4131.5171.8-83.9-178.7179.7173.30108.8E187 E269E187-K267 IonicContact OE1-NZ 2.84Å; E187-K267 PolarHBondContact OE1-NZ 3.44Å; K267-E269 PolarHBondContact O-N 2.87Å
268F61.2Low71.2Confident51 Ų5176.6 Ų76.622%0.22440%0.397CS..  trans-55.7108.3173.4-172.6-88.1000108.8G266 H463 C490G266-F268 PolarHBondContact O-N 3.27Å; F268-H463 WeakPolarHBondContact CB-O 3.28Å; F268-H463 HydrophobicContact CD1-CB 4.3Å; F268-H463 WeakPolarHBondContact CD2-O 3.35Å; F268-H463 HydrophobicContact CE1-CB 4.45Å; F268-H463 WeakPolarHBondContact CG-O 3.47Å; F268-C490 HydrophobicContact CZ-CB 4.16Å
269E62Low71.3Confident167 Ų16774.8 Ų74.878%0.7839%0.387SS*.  trans-84.7115.7176.9-162.6166.1-144.600107.3K267 Q271K267-E269 PolarHBondContact O-N 2.87Å; E269-Q271 PolarHBondContact O-N 2.97Å
270R67.5Low71.7Confident171 Ų17171 Ų7165%0.64537%0.367SS*.  trans-62.6114.1176.5-71.8-176.5-177.7-174-2.8107.6T491R270-T491 HydrophobicContact CB-CG2 4.5Å
271Q69.4Low72.5Confident79 Ų7970.6 Ų70.637%0.36936%0.364SS..PPolyproline II helixtrans-79.9143.5173.7-69.4-163.9-38.500109.7E269 V273E269-Q271 PolarHBondContact O-N 2.97Å; Q271-V273 PolarHBondContact O-N 3.34Å
272P77.7Confident73.6Confident119 Ų11969.6 Ų69.677%0.77336%0.358SS*.PPolyproline II helixtrans-55.5132.6169.6-20.130.8000109.8
273V83.8Confident74.7Confident23 Ų2372 Ų7214%0.13937%0.371CS..PPolyproline II helixtrans-91.7130.4174.5178.20000108Q271 Q277 V278 A488 T491 M492 W495Q271-V273 PolarHBondContact O-N 3.34Å; V273-Q277 HydrophobicContact CG1-CB 4.23Å; V273-V278 HydrophobicContact CG1-CG2 3.68Å; V273-A488 HydrophobicContact CG2-CB 4.31Å; V273-T491 HydrophobicContact CG2-CG2 3.9Å; V273-M492 HydrophobicContact CG1-CE 4.34Å; V273-M492 HydrophobicContact CG1-CG 3.9Å; V273-M492 HydrophobicContact CG1-SD 3.82Å; V273-M492 HydrophobicContact CG2-CG 4Å; V273-W495 HydrophobicContact CB-CH2 3.98Å; V273-W495 HydrophobicContact CB-CZ2 3.96Å; V273-W495 HydrophobicContact CG1-CH2 3.88Å; V273-W495 HydrophobicContact CG1-CZ2 4.34Å; V273-W495 HydrophobicContact CG2-CH2 4.19Å; V273-W495 HydrophobicContact CG2-CZ2 3.82Å
274T84.3Confident76.2Confident51 Ų5169.1 Ų69.131%0.31336%0.355SS..PPolyproline II helixtrans-90.4157.8177.962.50000111.5D276 Q277 V278T274-D276 PolarHBondContact O-N 3.37Å; T274-Q277 PolarHBondContact O-N 2.81Å; T274-Q277 VanDerWaalsContact OG1-CG 3.27Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.43Å; T274-Q277 PolarHBondContact OG1-N 2.81Å; T274-Q277 PolarHBondContact OG1-OE1 3.4Å; T274-V278 WeakPolarHBondContact O-CG2 3.5Å; T274-V278 PolarHBondContact O-N 3.22Å
275A81.5Confident77.8Confident1 Ų164.6 Ų64.61%0.00833%0.326CS..Hα-helixtrans-57.3-35.7173.600000112.8V278 R279 I508 C510A275-V278 PolarHBondContact O-N 3.29Å; A275-R279 PolarHBondContact O-N 2.95Å; A275-I508 HydrophobicContact CB-CG2 4.02Å; A275-C510 HydrophobicContact CB-CB 4.21Å
276D84.1Confident78.9Confident83 Ų8364.6 Ų64.644%0.44434%0.335SS..Hα-helixtrans-68.4-36.6179.3-61.3-28.6000111.8T274 V278 R279 L280T274-D276 PolarHBondContact O-N 3.37Å; D276-V278 VanDerWaalsContact C-N 3.31Å; D276-V278 PolarHBondContact O-N 3.45Å; D276-R279 WeakPolarHBondContact O-CB 3.34Å; D276-R279 PolarHBondContact O-N 3.4Å; D276-R279 IonicContact OD1-NH1 3.69Å; D276-R279 PolarHBondContact OD1-NH1 2.89Å; D276-L280 WeakPolarHBondContact O-CB 3.3Å; D276-L280 VanDerWaalsContact O-CG 3.3Å; D276-L280 WeakPolarHBondContact O-CG 3.49Å; D276-L280 PolarHBondContact O-N 2.88Å
277Q90Very high80.1Confident23 Ų2369.1 Ų69.111%0.10734%0.341CS..Hα-helixtrans-66.8-33.5173.9-73.8165.8-37.100112.7V273 T274 L281 A488V273-Q277 HydrophobicContact CG1-CB 4.23Å; T274-Q277 PolarHBondContact O-N 2.81Å; T274-Q277 VanDerWaalsContact OG1-CG 3.27Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.43Å; T274-Q277 PolarHBondContact OG1-N 2.81Å; T274-Q277 PolarHBondContact OG1-OE1 3.4Å; Q277-L281 PolarHBondContact O-N 2.89Å; Q277-L281 VanDerWaalsContact O-N 3.09Å; Q277-A488 HydrophobicContact CB-CB 3.99Å; Q277-A488 VanDerWaalsContact CD-CB 3.49Å; Q277-A488 HydrophobicContact CG-CB 4.04Å
278V88.9Confident81.3Confident2 Ų266 Ų661%0.01233%0.328CS..Hα-helixtrans-68.4-44.31741760000109.9V273 T274 A275 D276 L281 L282 M492 W495 I508 V528 V533V273-V278 HydrophobicContact CG1-CG2 3.68Å; T274-V278 WeakPolarHBondContact O-CG2 3.5Å; T274-V278 PolarHBondContact O-N 3.22Å; A275-V278 PolarHBondContact O-N 3.29Å; D276-V278 VanDerWaalsContact C-N 3.31Å; D276-V278 PolarHBondContact O-N 3.45Å; V278-L281 WeakPolarHBondContact O-CB 3.23Å; V278-L281 PolarHBondContact O-N 3.3Å; V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 WeakPolarHBondContact O-CG 3.08Å; V278-L282 PolarHBondContact O-N 3.19Å; V278-M492 HydrophobicContact CB-SD 4.49Å; V278-M492 HydrophobicContact CG2-SD 3.78Å; V278-W495 HydrophobicContact CG2-CH2 4.4Å; V278-I508 HydrophobicContact CG1-CD1 4.46Å; V278-I508 HydrophobicContact CG2-CD1 3.5Å; V278-I508 HydrophobicContact CG2-CG2 4.15Å; V278-V528 HydrophobicContact CG1-CG1 4.06Å; V278-V533 HydrophobicContact CG1-CG1 4.49Å; V278-V533 HydrophobicContact CG1-CG2 4.41Å
279R86Confident82Confident71 Ų7163.6 Ų63.627%0.26832%0.318SS..Hα-helixtrans-57.2-50.2172.9-75.7-176.6174.298.622.7112.1A275 D276 L281 L282 D283 Q524A275-R279 PolarHBondContact O-N 2.95Å; D276-R279 WeakPolarHBondContact O-CB 3.34Å; D276-R279 PolarHBondContact O-N 3.4Å; D276-R279 IonicContact OD1-NH1 3.69Å; D276-R279 PolarHBondContact OD1-NH1 2.89Å; R279-L281 PolarHBondContact O-N 3.12Å; R279-L282 CarbonylContact O-C 3.52Å; R279-L282 WeakPolarHBondContact O-CA 3.5Å; R279-L282 PolarHBondContact O-N 3.42Å; R279-D283 WeakPolarHBondContact O-CB 3.46Å; R279-D283 VanDerWaalsContact O-CG 3.23Å; R279-D283 PolarHBondContact O-N 3.5Å; R279-Q524 PolarHBondContact NH1-O 3.09Å; R279-Q524 PolarHBondContact NH2-O 3.4Å
280L90Very high82.4Confident71 Ų7160.6 Ų60.637%0.37230%0.304SS..Hα-helixtrans-55.3-38.3177.2-75.1172.6000112.3D276 F284 L481D276-L280 WeakPolarHBondContact O-CB 3.3Å; D276-L280 VanDerWaalsContact O-CG 3.3Å; D276-L280 WeakPolarHBondContact O-CG 3.49Å; D276-L280 PolarHBondContact O-N 2.88Å; L280-F284 VanDerWaalsContact O-CB 3.23Å; L280-F284 WeakPolarHBondContact O-CB 3.33Å; L280-F284 PolarHBondContact O-N 2.93Å; L280-L481 HydrophobicContact CB-CD2 4.05Å; L280-L481 HydrophobicContact CD1-CD2 4.32Å; L280-L481 HydrophobicContact CD2-CD2 4.48Å
281L91.9Very high82.8Confident0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-67.4-45.2173.7174.961.6000112.4Q277 V278 R279 D283 F284 F285 F489 M492 V533 K536 A537 A540Q277-L281 PolarHBondContact O-N 2.89Å; Q277-L281 VanDerWaalsContact O-N 3.09Å; V278-L281 WeakPolarHBondContact O-CB 3.23Å; V278-L281 PolarHBondContact O-N 3.3Å; R279-L281 PolarHBondContact O-N 3.12Å; L281-D283 VanDerWaalsContact C-N 3.34Å; L281-F284 PolarHBondContact O-N 3.34Å; L281-F285 WeakPolarHBondContact O-CB 3.43Å; L281-F285 PolarHBondContact O-N 3.24Å; L281-F489 VanDerWaalsContact CA-CZ 3.5Å; L281-F489 HydrophobicContact CB-CD1 4.19Å; L281-F489 HydrophobicContact CB-CE1 3.54Å; L281-F489 HydrophobicContact CB-CE2 4.41Å; L281-F489 HydrophobicContact CB-CZ 3.67Å; L281-F489 HydrophobicContact CD1-CD1 4.38Å; L281-F489 HydrophobicContact CD1-CD2 3.86Å; L281-F489 HydrophobicContact CD1-CE1 4.15Å; L281-F489 HydrophobicContact CD1-CE2 3.58Å; L281-F489 HydrophobicContact CD1-CG 4.25Å; L281-F489 HydrophobicContact CD1-CZ 3.74Å; L281-F489 HydrophobicContact CG-CE1 4.35Å; L281-F489 HydrophobicContact CG-CZ 4.3Å; L281-M492 HydrophobicContact CB-CE 3.89Å; L281-M492 HydrophobicContact CD2-CB 4.47Å; L281-M492 HydrophobicContact CD2-CE 3.62Å; L281-M492 HydrophobicContact CD2-SD 3.68Å; L281-M492 HydrophobicContact CG-CE 4.38Å; L281-V533 HydrophobicContact CD2-CG1 3.79Å; L281-K536 HydrophobicContact CD2-CB 4.48Å; L281-K536 HydrophobicContact CG-CB 4.44Å; L281-A537 HydrophobicContact CD1-CB 4.31Å; L281-A537 HydrophobicContact CD2-CB 3.63Å; L281-A540 HydrophobicContact CD1-CB 3.85Å
282L88.6Confident83.3Confident53 Ų5356.2 Ų56.228%0.27730%0.299SS..Hα-helixtrans-63.7-42.2179.1-66.4176.8000111V278 R279 F285 A286 V533 K536V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 WeakPolarHBondContact O-CG 3.08Å; V278-L282 PolarHBondContact O-N 3.19Å; R279-L282 CarbonylContact O-C 3.52Å; R279-L282 WeakPolarHBondContact O-CA 3.5Å; R279-L282 PolarHBondContact O-N 3.42Å; L282-F285 PolarHBondContact O-N 2.87Å; L282-A286 WeakPolarHBondContact O-CB 3.5Å; L282-A286 PolarHBondContact O-N 2.86Å; L282-V533 HydrophobicContact CD2-CG2 4.48Å; L282-K536 HydrophobicContact CD2-CD 3.8Å
283D85Confident83.7Confident88 Ų8851.6 Ų51.647%0.47127%0.268SS..Hα-helixtrans-64.2-46.7175.8-65.1-22.5000110.9R279 L281 F285 A286 H287R279-D283 WeakPolarHBondContact O-CB 3.46Å; R279-D283 VanDerWaalsContact O-CG 3.23Å; R279-D283 PolarHBondContact O-N 3.5Å; L281-D283 VanDerWaalsContact C-N 3.34Å; D283-F285 VanDerWaalsContact C-N 3.27Å; D283-F285 PolarHBondContact O-N 2.77Å; D283-A286 PolarHBondContact O-N 2.8Å; D283-H287 PolarHBondContact O-N 3.07Å; D283-H287 PolarHBondContact O-ND1 2.9Å
284F88.4Confident83.9Confident17 Ų1753.9 Ų53.98%0.07528%0.282CS..Hα-helixtrans-56.5-45173.3179.2-77.4000110.7L280 L281 H287 F288 L476 T479 L481 A540 L543L280-F284 VanDerWaalsContact O-CB 3.23Å; L280-F284 WeakPolarHBondContact O-CB 3.33Å; L280-F284 PolarHBondContact O-N 2.93Å; L281-F284 PolarHBondContact O-N 3.34Å; F284-H287 PolarHBondContact O-N 3.37Å; F284-F288 HydrophobicContact CD1-CB 4.43Å; F284-F288 HydrophobicContact CD1-CD2 4.37Å; F284-F288 AromaticContact CD2-CD2 3.74Å; F284-F288 HydrophobicContact CD2-CD2 3.74Å; F284-F288 HydrophobicContact CD2-CE2 4.22Å; F284-F288 HydrophobicContact CE1-CB 4.02Å; F284-F288 HydrophobicContact CE1-CD2 4.41Å; F284-F288 AromaticContact CE2-CD2 3.86Å; F284-F288 HydrophobicContact CE2-CD2 3.86Å; F284-F288 HydrophobicContact CE2-CE2 4.44Å; F284-F288 HydrophobicContact CE2-CG 4.5Å; F284-F288 HydrophobicContact CG-CD2 4.01Å; F284-F288 HydrophobicContact CZ-CB 4.17Å; F284-F288 HydrophobicContact CZ-CD2 4.19Å; F284-F288 HydrophobicContact CZ-CG 4.44Å; F284-F288 WeakPolarHBondContact O-CB 3.35Å; F284-F288 WeakPolarHBondContact O-CD2 3.25Å; F284-F288 PolarHBondContact O-N 2.85Å; F284-L476 HydrophobicContact CE2-CD2 3.9Å; F284-L476 HydrophobicContact CZ-CD2 4.22Å; F284-T479 HydrophobicContact CD2-CG2 4.08Å; F284-T479 HydrophobicContact CE2-CG2 3.75Å; F284-L481 HydrophobicContact CD2-CD1 3.59Å; F284-L481 HydrophobicContact CE2-CD1 4.15Å; F284-L481 HydrophobicContact CG-CD1 4.29Å; F284-A540 HydrophobicContact CD1-CB 3.58Å; F284-A540 HydrophobicContact CE1-CB 3.5Å; F284-A540 VanDerWaalsContact CE1-CB 3.5Å; F284-A540 HydrophobicContact CZ-CB 4.31Å; F284-L543 HydrophobicContact CE1-CD1 4.38Å
285F83.9Confident84.1Confident13 Ų1355.9 Ų55.96%0.05730%0.295CS..Hα-helixtrans-69.1-38.9-177.7-167.4-86.9000112.4L281 L282 D283 H287 G289 E290 K536 I539L281-F285 WeakPolarHBondContact O-CB 3.43Å; L281-F285 PolarHBondContact O-N 3.24Å; L282-F285 PolarHBondContact O-N 2.87Å; D283-F285 VanDerWaalsContact C-N 3.27Å; D283-F285 PolarHBondContact O-N 2.77Å; F285-H287 VanDerWaalsContact C-N 3.31Å; F285-H287 PolarHBondContact O-N 3.43Å; F285-G289 CarbonylContact O-C 3.59Å; F285-G289 WeakPolarHBondContact O-CA 3.4Å; F285-G289 PolarHBondContact O-N 3.19Å; F285-E290 HydrophobicContact CD1-CG 3.85Å; F285-E290 HydrophobicContact CE1-CB 4.47Å; F285-E290 HydrophobicContact CE1-CG 3.66Å; F285-E290 PolarHBondContact O-N 3.4Å; F285-K536 HydrophobicContact CB-CB 4.31Å; F285-K536 HydrophobicContact CB-CD 4.01Å; F285-K536 HydrophobicContact CB-CG 4.37Å; F285-K536 HydrophobicContact CD1-CD 3.68Å; F285-K536 HydrophobicContact CD1-CG 3.94Å; F285-K536 HydrophobicContact CD2-CB 3.59Å; F285-K536 HydrophobicContact CD2-CD 4.13Å; F285-K536 HydrophobicContact CD2-CG 3.61Å; F285-K536 HydrophobicContact CE1-CD 4.17Å; F285-K536 HydrophobicContact CE1-CG 4.09Å; F285-K536 HydrophobicContact CE2-CB 4.07Å; F285-K536 HydrophobicContact CE2-CG 3.8Å; F285-K536 HydrophobicContact CG-CB 3.94Å; F285-K536 HydrophobicContact CG-CD 3.64Å; F285-K536 HydrophobicContact CG-CG 3.68Å; F285-K536 HydrophobicContact CZ-CG 4.03Å; F285-I539 HydrophobicContact CD2-CB 4.47Å; F285-I539 HydrophobicContact CD2-CG2 4.42Å; F285-I539 HydrophobicContact CE2-CB 3.9Å; F285-I539 HydrophobicContact CE2-CD1 3.6Å; F285-I539 HydrophobicContact CE2-CG1 4.36Å; F285-I539 HydrophobicContact CE2-CG2 3.81Å; F285-I539 HydrophobicContact CZ-CD1 4.04Å
286A81Confident84.6Confident49 Ų4958 Ų5841%0.40530%0.304SS..Hα-helixtrans-61.7-41175.100000111.4L282 D283L282-A286 WeakPolarHBondContact O-CB 3.5Å; L282-A286 PolarHBondContact O-N 2.86Å; D283-A286 PolarHBondContact O-N 2.8Å
287H80.6Confident84.9Confident148 Ų14857.2 Ų57.269%0.68530%0.302SS*.Hα-helixtrans-79.7-39.2-178.4-72.179.7000113.9D283 F284 F285D283-H287 PolarHBondContact O-N 3.07Å; D283-H287 PolarHBondContact O-ND1 2.9Å; F284-H287 PolarHBondContact O-N 3.37Å; F285-H287 VanDerWaalsContact C-N 3.31Å; F285-H287 PolarHBondContact O-N 3.43Å
288F81.3Confident84.8Confident107 Ų10759.8 Ų59.847%0.46931%0.313SS..Hα-helixtrans-121.3-11.8-168.5-54.7-70.8000114.1F284 A292 T479 L543F284-F288 HydrophobicContact CD1-CB 4.43Å; F284-F288 HydrophobicContact CD1-CD2 4.37Å; F284-F288 AromaticContact CD2-CD2 3.74Å; F284-F288 HydrophobicContact CD2-CD2 3.74Å; F284-F288 HydrophobicContact CD2-CE2 4.22Å; F284-F288 HydrophobicContact CE1-CB 4.02Å; F284-F288 HydrophobicContact CE1-CD2 4.41Å; F284-F288 AromaticContact CE2-CD2 3.86Å; F284-F288 HydrophobicContact CE2-CD2 3.86Å; F284-F288 HydrophobicContact CE2-CE2 4.44Å; F284-F288 HydrophobicContact CE2-CG 4.5Å; F284-F288 HydrophobicContact CG-CD2 4.01Å; F284-F288 HydrophobicContact CZ-CB 4.17Å; F284-F288 HydrophobicContact CZ-CD2 4.19Å; F284-F288 HydrophobicContact CZ-CG 4.44Å; F284-F288 WeakPolarHBondContact O-CB 3.35Å; F284-F288 WeakPolarHBondContact O-CD2 3.25Å; F284-F288 PolarHBondContact O-N 2.85Å; F288-A292 WeakPolarHBondContact O-CB 3.43Å; F288-T479 HydrophobicContact CD2-CG2 4.11Å; F288-T479 HydrophobicContact CE2-CG2 3.47Å; F288-T479 VanDerWaalsContact CE2-CG2 3.47Å; F288-T479 HydrophobicContact CZ-CG2 3.7Å; F288-L543 WeakPolarHBondContact O-CD1 3.37Å
289G75.3Confident84.5Confident0 Ų063.4 Ų63.40%034%0.335CS..THydrogen-bonded Turntrans-106.9-39.4-165.700000115.5F285 N291 A292F285-G289 CarbonylContact O-C 3.59Å; F285-G289 WeakPolarHBondContact O-CA 3.4Å; F285-G289 PolarHBondContact O-N 3.19Å; G289-N291 VanDerWaalsContact C-N 3.34Å; G289-N291 PolarHBondContact O-N 3.05Å; G289-A292 PolarHBondContact O-N 3.1Å
290E72.2Confident84.3Confident104 Ų10460.4 Ų60.449%0.48632%0.324SS..THydrogen-bonded Turntrans-58.2-41.7-169.3-80.5-177.6172.300113.6F285F285-E290 HydrophobicContact CD1-CG 3.85Å; F285-E290 HydrophobicContact CE1-CB 4.47Å; F285-E290 HydrophobicContact CE1-CG 3.66Å; F285-E290 PolarHBondContact O-N 3.4Å
291N75.7Confident83.5Confident127 Ų12762.7 Ų62.768%0.67934%0.337SS*.THydrogen-bonded Turntrans-106.63.2-179.1-65.1-28.9000113.7Q63 G289Q63-N291 PolarHBondContact OE1-ND2 2.85Å; G289-N291 VanDerWaalsContact C-N 3.34Å; G289-N291 PolarHBondContact O-N 3.05Å
292A78.9Confident82.6Confident30 Ų3068 Ų6825%0.24836%0.361CS..THydrogen-bonded Turntrans-86.2-8.8-173.500000114.2F288 G289 L543F288-A292 WeakPolarHBondContact O-CB 3.43Å; G289-A292 PolarHBondContact O-N 3.1Å; A292-L543 HydrophobicContact CB-CD1 3.93Å; A292-L543 HydrophobicContact CB-CD2 3.64Å; A292-L543 HydrophobicContact CB-CG 4.46Å
293I86.8Confident82Confident23 Ų2365.7 Ų65.712%0.11835%0.349CS..  trans-127.8135.2176.361.2156.9000111.8I539 L558I293-I539 HydrophobicContact CD1-CD1 3.38Å; I293-I539 HydrophobicContact CD1-CG1 3.94Å; I293-I539 HydrophobicContact CG1-CD1 4.36Å; I293-I539 HydrophobicContact CG2-CG2 4.01Å; I293-L558 WeakPolarHBondContact CA-O 3.34Å; I293-L558 HydrophobicContact CG2-CB 4.09Å; I293-L558 HydrophobicContact CG2-CD2 3.71Å; I293-L558 HydrophobicContact CG2-CG 3.79Å
294T86.5Confident81.2Confident70 Ų7064.6 Ų64.643%0.42934%0.343SS..EExtended strand (participates in β ladder)trans-103.6149.3172.147.40000110.1E296 V559 Q560T294-E296 PolarHBondContact OG1-OE1 2.69Å; T294-V559 WeakPolarHBondContact O-CA 3.42Å; T294-Q560 PolarHBondContact O-N 2.86Å
295T89.6Confident80.3Confident94 Ų9470.4 Ų70.458%0.57737%0.371SS*.EExtended strand (participates in β ladder)trans-86.3110.1168-630000108.9V297T295-V297 HydrophobicContact CG2-CG2 4.1Å
296E91.8Very high79.7Confident45 Ų4572.8 Ų72.821%0.2138%0.384CS..  trans-126.885.8-177.2-67.4-178.5-144.900109.8T294 K298 H331 R557 V559 Q560 F561T294-E296 PolarHBondContact OG1-OE1 2.69Å; E296-K298 PolarHBondContact O-N 3.02Å; E296-H331 PolarHBondContact O-CE1 3.13Å; E296-H331 PolarHBondContact O-NE2 3.22Å; E296-H331 IonicContact OE2-CE1 2.99Å; E296-R557 IonicContact OE1-NH1 2.9Å; E296-R557 PolarHBondContact OE1-NH1 3.06Å; E296-R557 IonicContact OE2-CZ 3.64Å; E296-R557 IonicContact OE2-NH1 3.49Å; E296-R557 PolarHBondContact OE2-NH1 3.1Å; E296-V559 HydrophobicContact CB-CB 4.22Å; E296-V559 HydrophobicContact CB-CG1 4.45Å; E296-V559 HydrophobicContact CB-CG2 4.5Å; E296-V559 HydrophobicContact CG-CB 4.45Å; E296-V559 HydrophobicContact CG-CG1 4.26Å; E296-V559 WeakPolarHBondContact OE1-CG1 3.03Å; E296-Q560 PolarHBondContact N-O 2.87Å; E296-F561 WeakPolarHBondContact O-CA 3.48Å
297V90Very high79.2Confident67 Ų6770.8 Ų70.841%0.40637%0.367SS..  trans-89.4104.3177-173.30000108.8T295 V299 P563T295-V297 HydrophobicContact CG2-CG2 4.1Å; V297-V299 HydrophobicContact CG1-CG2 4.39Å; V297-P563 HydrophobicContact CG2-CG 4.33Å
298K89.5Confident78.6Confident77 Ų7766.4 Ų66.434%0.33535%0.353SS..  trans-92.8144.3171.1-58.9-65.1179.2151.70108.5E296 S327 D334E296-K298 PolarHBondContact O-N 3.02Å; K298-S327 WeakPolarHBondContact O-CA 3.29Å; K298-S327 WeakPolarHBondContact O-CB 3.38Å; K298-S327 PolarHBondContact O-OG 3.19Å; K298-D334 VanDerWaalsContact CD-OD2 3.25Å; K298-D334 WeakPolarHBondContact CD-OD2 3.25Å; K298-D334 WeakPolarHBondContact CE-OD2 3.06Å; K298-D334 IonicContact NZ-OD2 3.7Å; K298-D334 PolarHBondContact NZ-OD2 2.77Å
299V81.2Confident77.9Confident77 Ų7767.8 Ų67.847%0.46736%0.364SS..  trans-126.2112.5176.7-176.30000108.3V297 N301V297-V299 HydrophobicContact CG1-CG2 4.39Å; V299-N301 PolarHBondContact O-N 3.29Å
300F82.5Confident77.7Confident9 Ų971.1 Ų71.14%0.03938%0.378CS..  trans-80.7100.8172.7-162.2-90.6000109.4E302 I303 A326 L329 Q333 F338 L364F300-E302 VanDerWaalsContact C-N 3.34Å; F300-E302 HydrophobicContact CD1-CB 4.09Å; F300-E302 HydrophobicContact CE1-CB 3.72Å; F300-E302 HydrophobicContact CE1-CG 4.18Å; F300-E302 WeakPolarHBondContact CE1-OE2 3.09Å; F300-E302 WeakPolarHBondContact CZ-OE2 3.42Å; F300-E302 PolarHBondContact O-N 3.47Å; F300-I303 WeakPolarHBondContact O-CG2 3.45Å; F300-I303 PolarHBondContact O-N 3.04Å; F300-A326 VanDerWaalsContact CB-O 3.25Å; F300-A326 WeakPolarHBondContact CB-O 3.4Å; F300-A326 PolarHBondContact N-O 2.79Å; F300-L329 HydrophobicContact CB-CB 3.79Å; F300-L329 HydrophobicContact CD1-CB 4.33Å; F300-L329 HydrophobicContact CD2-CB 4.12Å; F300-L329 HydrophobicContact CG-CB 3.82Å; F300-Q333 HydrophobicContact CD2-CB 4.3Å; F300-Q333 HydrophobicContact CE2-CB 4.1Å; F300-Q333 HydrophobicContact CE2-CG 4.37Å; F300-F338 HydrophobicContact CE2-CD2 4.17Å; F300-F338 AromaticContact CE2-CE2 3.98Å; F300-F338 HydrophobicContact CE2-CE2 3.98Å; F300-F338 HydrophobicContact CZ-CE2 4.45Å; F300-L364 HydrophobicContact CD1-CD1 3.97Å; F300-L364 HydrophobicContact CE1-CD1 3.31Å; F300-L364 HydrophobicContact CE1-CD2 3.59Å; F300-L364 HydrophobicContact CE1-CG 4.02Å; F300-L364 HydrophobicContact CZ-CD1 3.7Å; F300-L364 HydrophobicContact CZ-CD2 4.28Å; F300-L364 HydrophobicContact CZ-CG 4.47Å
301N73.6Confident77.6Confident119 Ų11969.4 Ų69.464%0.63637%0.369SS*.Hα-helixtrans-61.3-38-166.5-71.4-28000113.9V299 I303 N304V299-N301 PolarHBondContact O-N 3.29Å; N301-I303 PolarHBondContact O-N 2.97Å; N301-I303 VanDerWaalsContact O-N 3.15Å; N301-N304 PolarHBondContact O-N 2.61Å; N301-N304 VanDerWaalsContact O-N 3.12Å
302E73Confident77Confident111 Ų11169.7 Ų69.752%0.51937%0.371SS..Hα-helixtrans-60.7-29.6-174.8-63.4159.8-172.700112.7F300 L306 L364F300-E302 VanDerWaalsContact C-N 3.34Å; F300-E302 HydrophobicContact CD1-CB 4.09Å; F300-E302 HydrophobicContact CE1-CB 3.72Å; F300-E302 HydrophobicContact CE1-CG 4.18Å; F300-E302 WeakPolarHBondContact CE1-OE2 3.09Å; F300-E302 WeakPolarHBondContact CZ-OE2 3.42Å; F300-E302 PolarHBondContact O-N 3.47Å; E302-L306 WeakPolarHBondContact O-CB 3.07Å; E302-L306 WeakPolarHBondContact O-CD1 3.27Å; E302-L306 VanDerWaalsContact O-CG 3.24Å; E302-L306 WeakPolarHBondContact O-CG 3.11Å; E302-L306 PolarHBondContact O-N 2.94Å; E302-L306 VanDerWaalsContact O-N 3.07Å; E302-L364 HydrophobicContact CB-CD2 4.2Å
303I75.4Confident76.2Confident4 Ų472.6 Ų72.62%0.02138%0.382CS..Hα-helixtrans-75.2-27.4-179.3-159.3158000113F300 N301 E305 S307 L325 A326 L329 W360F300-I303 WeakPolarHBondContact O-CG2 3.45Å; F300-I303 PolarHBondContact O-N 3.04Å; N301-I303 PolarHBondContact O-N 2.97Å; N301-I303 VanDerWaalsContact O-N 3.15Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-S307 WeakPolarHBondContact O-CB 3.32Å; I303-S307 PolarHBondContact O-N 2.83Å; I303-S307 PolarHBondContact O-OG 3.4Å; I303-L325 HydrophobicContact CD1-CB 4.35Å; I303-A326 HydrophobicContact CG2-CB 3.58Å; I303-L329 HydrophobicContact CB-CD1 4.27Å; I303-L329 HydrophobicContact CD1-CD1 3.27Å; I303-L329 HydrophobicContact CG1-CD1 4.36Å; I303-L329 HydrophobicContact CG2-CD1 4.48Å; I303-W360 HydrophobicContact CD1-CB 3.78Å; I303-W360 HydrophobicContact CD1-CD2 3.38Å; I303-W360 HydrophobicContact CD1-CE3 3.73Å; I303-W360 HydrophobicContact CD1-CG 3.41Å; I303-W360 VanDerWaalsContact CD1-CG 3.41Å; I303-W360 HydrophobicContact CD1-CZ2 4.49Å; I303-W360 HydrophobicContact CD1-CZ3 4.45Å; I303-W360 HydrophobicContact CG1-CD2 3.93Å; I303-W360 HydrophobicContact CG1-CE3 3.87Å; I303-W360 HydrophobicContact CG1-CG 4.45Å; I303-W360 HydrophobicContact CG1-CH2 4.39Å; I303-W360 HydrophobicContact CG1-CZ2 4.4Å; I303-W360 HydrophobicContact CG1-CZ3 4.13Å
304N68.9Low75Confident65 Ų6576.8 Ų76.835%0.34841%0.409SS..Hα-helixtrans-65.6-43.1179-82.4-25.6000110.4N301 S307 S308N301-N304 PolarHBondContact O-N 2.61Å; N301-N304 VanDerWaalsContact O-N 3.12Å; N304-S307 PolarHBondContact O-OG 3.07Å; N304-S308 WeakPolarHBondContact O-CB 3.49Å; N304-S308 PolarHBondContact O-N 3.35Å; N304-S308 PolarHBondContact O-OG 2.96Å
305E69.6Low74.1Confident140 Ų14075 Ų7565%0.65440%0.404SS*.Hα-helixtrans-68.1-53.3175.6-64.4-179.6-179.300111.2I303 S307 S308 I309I303-E305 VanDerWaalsContact C-N 3.34Å; E305-S307 VanDerWaalsContact C-N 3.31Å; E305-S307 PolarHBondContact O-N 3.48Å; E305-S308 PolarHBondContact O-N 2.83Å; E305-I309 WeakPolarHBondContact O-CG1 3.2Å; E305-I309 PolarHBondContact O-N 3.2Å; E305-I309 VanDerWaalsContact O-N 3.09Å
306L70.3Confident72.9Confident63 Ų6378.9 Ų78.933%0.3341%0.413SS..Hα-helixtrans-60.8-38.1-178.2-72.1170.2000112.8E302 K310 W360 L364E302-L306 WeakPolarHBondContact O-CB 3.07Å; E302-L306 WeakPolarHBondContact O-CD1 3.27Å; E302-L306 VanDerWaalsContact O-CG 3.24Å; E302-L306 WeakPolarHBondContact O-CG 3.11Å; E302-L306 PolarHBondContact O-N 2.94Å; E302-L306 VanDerWaalsContact O-N 3.07Å; L306-K310 VanDerWaalsContact O-CB 3.3Å; L306-K310 WeakPolarHBondContact O-CB 3.38Å; L306-K310 WeakPolarHBondContact O-CG 3.07Å; L306-K310 PolarHBondContact O-N 3.35Å; L306-W360 HydrophobicContact CB-CH2 4.43Å; L306-W360 HydrophobicContact CB-CZ3 3.91Å; L306-L364 HydrophobicContact CD1-CD2 4Å
307S71.3Confident71.7Confident6 Ų687.5 Ų87.54%0.04244%0.444CS..Hα-helixtrans-70.1-39.1178.970.10000112.9I303 N304 E305 I309 K310 F311 R322I303-S307 WeakPolarHBondContact O-CB 3.32Å; I303-S307 PolarHBondContact O-N 2.83Å; I303-S307 PolarHBondContact O-OG 3.4Å; N304-S307 PolarHBondContact O-OG 3.07Å; E305-S307 VanDerWaalsContact C-N 3.31Å; E305-S307 PolarHBondContact O-N 3.48Å; S307-I309 VanDerWaalsContact C-N 3.34Å; S307-K310 PolarHBondContact O-N 3.44Å; S307-F311 PolarHBondContact O-N 2.8Å; S307-R322 VanDerWaalsContact OG-CD 3.24Å; S307-R322 WeakPolarHBondContact OG-CD 3.29Å
308S68.3Low71Confident56 Ų5685 Ų8539%0.39243%0.429SS..Hα-helixtrans-62.9-45177.1-58.10000110.2N304 E305 N312N304-S308 WeakPolarHBondContact O-CB 3.49Å; N304-S308 PolarHBondContact O-N 3.35Å; N304-S308 PolarHBondContact O-OG 2.96Å; E305-S308 PolarHBondContact O-N 2.83Å; S308-N312 WeakPolarHBondContact O-CA 3.37Å; S308-N312 PolarHBondContact O-N 2.84Å
309I66.6Low70.5Confident137 Ų13785.6 Ų85.670%0.70344%0.435SS*.Hα-helixtrans-65.2-47.5177.1-63.6165.4000111.5E305 S307E305-I309 WeakPolarHBondContact O-CG1 3.2Å; E305-I309 PolarHBondContact O-N 3.2Å; E305-I309 VanDerWaalsContact O-N 3.09Å; S307-I309 VanDerWaalsContact C-N 3.34Å
310K70.5Confident70.6Confident69 Ų6983.2 Ų83.230%0.342%0.421SS..Hα-helixtrans-80.1-30.7-171.1-78.5-159.8173.5-168.30115.2L306 S307 Y359 M363 D392L306-K310 VanDerWaalsContact O-CB 3.3Å; L306-K310 WeakPolarHBondContact O-CB 3.38Å; L306-K310 WeakPolarHBondContact O-CG 3.07Å; L306-K310 PolarHBondContact O-N 3.35Å; S307-K310 PolarHBondContact O-N 3.44Å; K310-Y359 WeakPolarHBondContact CD-OH 3.48Å; K310-Y359 PolarHBondContact NZ-OH 3.37Å; K310-M363 PolarHBondContact NZ-SD 3.15Å; K310-D392 VanDerWaalsContact NZ-CG 3.32Å; K310-D392 IonicContact NZ-OD2 2.66Å; K310-D392 PolarHBondContact NZ-OD2 2.93Å
311F70.2Confident70.7Confident69 Ų6984.6 Ų84.630%0.30343%0.429SS..Hα-helixtrans-124.7-20.1-169.2-63-73.7000114.3S307 D313 Y359 W360 F385 K388S307-F311 PolarHBondContact O-N 2.8Å; F311-D313 PolarHBondContact O-N 3.43Å; F311-Y359 HydrophobicContact CE2-CE1 4.02Å; F311-Y359 AromaticContact CZ-CE1 3.97Å; F311-Y359 HydrophobicContact CZ-CE1 3.97Å; F311-W360 AromaticContact CD2-CH2 3.85Å; F311-W360 HydrophobicContact CD2-CH2 3.85Å; F311-W360 AromaticContact CD2-CZ2 3.61Å; F311-W360 HydrophobicContact CD2-CZ2 3.61Å; F311-W360 AromaticContact CE2-CH2 3.51Å; F311-W360 HydrophobicContact CE2-CH2 3.51Å; F311-W360 AromaticContact CE2-CZ2 3.27Å; F311-W360 HydrophobicContact CE2-CZ2 3.27Å; F311-W360 HydrophobicContact CZ-CZ2 4.43Å; F311-F385 AromaticContact CE1-CE1 3.97Å; F311-F385 HydrophobicContact CE1-CE1 3.97Å; F311-F385 AromaticContact CZ-CE1 3.8Å; F311-F385 HydrophobicContact CZ-CE1 3.8Å; F311-K388 HydrophobicContact CE1-CD 4.08Å; F311-K388 HydrophobicContact CZ-CD 3.98Å
312N62.4Low71.2Confident132 Ų13281.7 Ų81.771%0.70641%0.409SS*.  trans43.228177.4-149.519.1000115S308S308-N312 WeakPolarHBondContact O-CA 3.37Å; S308-N312 PolarHBondContact O-N 2.84Å
313D61.6Low72Confident91 Ų9178 Ų7849%0.48740%0.398SS..  trans-95.7113.1-173.3-169.3-9.2000108.3F311 G315 S318F311-D313 PolarHBondContact O-N 3.43Å; D313-G315 PolarHBondContact OD1-N 3.42Å; D313-S318 VanDerWaalsContact C-OG 3.29Å; D313-S318 WeakPolarHBondContact O-CB 3.24Å; D313-S318 PolarHBondContact O-OG 3.12Å
314T63.3Low72.7Confident111 Ų11178.1 Ų78.168%0.68140%0.398SS*.  trans-104.92.1-171.856.40000113.6
315G66.2Low73.8Confident32 Ų3275.2 Ų75.233%0.3338%0.382SS..SBendtrans-66.4151.4-178.700000113.6D313 R317 S318 I319D313-G315 PolarHBondContact OD1-N 3.42Å; G315-R317 PolarHBondContact O-N 3.19Å; G315-S318 PolarHBondContact N-OG 3.15Å; G315-S318 WeakPolarHBondContact O-CA 3.48Å; G315-S318 WeakPolarHBondContact O-CB 3.44Å; G315-S318 PolarHBondContact O-N 3.3Å; G315-S318 PolarHBondContact O-OG 3.07Å; G315-I319 PolarHBondContact O-N 2.73Å
316K64.9Low74.8Confident177 Ų17768.8 Ų68.877%0.7735%0.353SS*.Hα-helixtrans-48.7-41179.9-170.2177-177.7177.20113.5S318 I319 T320K316-S318 VanDerWaalsContact C-N 3.35Å; K316-S318 PolarHBondContact O-N 3.37Å; K316-I319 WeakPolarHBondContact O-CB 3.49Å; K316-I319 PolarHBondContact O-N 3.45Å; K316-T320 PolarHBondContact O-N 2.97Å; K316-T320 PolarHBondContact O-OG1 3.22Å
317R67.5Low75.9Confident226 Ų22665.8 Ų65.885%0.85334%0.337SS*.Hα-helixtrans-65.2-36176.5-168.8178.1-174.3173.94.8112.7G315 D321G315-R317 PolarHBondContact O-N 3.19Å; R317-D321 VanDerWaalsContact O-CB 3.3Å; R317-D321 WeakPolarHBondContact O-CB 3.32Å; R317-D321 PolarHBondContact O-N 2.8Å
318S75.4Confident77.1Confident15 Ų1565.5 Ų65.511%0.10534%0.335CS..Hα-helixtrans-68.9-37.3174.990.60000110.8D313 G315 K316 D321 R322D313-S318 VanDerWaalsContact C-OG 3.29Å; D313-S318 WeakPolarHBondContact O-CB 3.24Å; D313-S318 PolarHBondContact O-OG 3.12Å; G315-S318 PolarHBondContact N-OG 3.15Å; G315-S318 WeakPolarHBondContact O-CA 3.48Å; G315-S318 WeakPolarHBondContact O-CB 3.44Å; G315-S318 PolarHBondContact O-N 3.3Å; G315-S318 PolarHBondContact O-OG 3.07Å; K316-S318 VanDerWaalsContact C-N 3.35Å; K316-S318 PolarHBondContact O-N 3.37Å; S318-D321 PolarHBondContact O-N 3.16Å; S318-R322 VanDerWaalsContact O-CB 3.31Å; S318-R322 WeakPolarHBondContact O-CB 3.37Å; S318-R322 VanDerWaalsContact O-CG 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.3Å; S318-R322 PolarHBondContact O-N 2.82Å; S318-R322 PolarHBondContact O-NE 3.28Å
319I78.2Confident78.3Confident88 Ų8862.9 Ų62.945%0.45132%0.317SS..Hα-helixtrans-63.3-50.6177.7-62.8169.3000109.8G315 K316 D321 R322 A323G315-I319 PolarHBondContact O-N 2.73Å; K316-I319 WeakPolarHBondContact O-CB 3.49Å; K316-I319 PolarHBondContact O-N 3.45Å; I319-D321 PolarHBondContact O-N 3.49Å; I319-R322 PolarHBondContact O-N 3.45Å; I319-A323 WeakPolarHBondContact O-CB 3.16Å; I319-A323 PolarHBondContact O-N 3.45Å
320T83.7Confident79.6Confident28 Ų2856.5 Ų56.517%0.17229%0.285CS..Hα-helixtrans-59.6-45175.8-580000111.9K316 R322 A323 Q324 T566 T567K316-T320 PolarHBondContact O-N 2.97Å; K316-T320 PolarHBondContact O-OG1 3.22Å; T320-R322 VanDerWaalsContact C-N 3.33Å; T320-R322 PolarHBondContact O-N 3.1Å; T320-A323 PolarHBondContact O-N 2.94Å; T320-Q324 WeakPolarHBondContact O-CG 3.38Å; T320-Q324 PolarHBondContact O-N 2.82Å; T320-T566 HydrophobicContact CG2-CG2 4.15Å; T320-T566 WeakPolarHBondContact CG2-O 3.49Å; T320-T566 PolarHBondContact OG1-O 3.25Å; T320-T567 HydrophobicContact CG2-CG2 3.92Å
321D84.3Confident80.8Confident38 Ų3853.2 Ų53.220%0.20327%0.271CS..Hα-helixtrans-60.8-42.7178.5-163.639.1000111.1R317 S318 I319 L325 R356 K428R317-D321 VanDerWaalsContact O-CB 3.3Å; R317-D321 WeakPolarHBondContact O-CB 3.32Å; R317-D321 PolarHBondContact O-N 2.8Å; S318-D321 PolarHBondContact O-N 3.16Å; I319-D321 PolarHBondContact O-N 3.49Å; D321-L325 WeakPolarHBondContact O-CB 3.41Å; D321-L325 VanDerWaalsContact O-CG 3.25Å; D321-L325 WeakPolarHBondContact O-CG 3.39Å; D321-L325 PolarHBondContact O-N 2.85Å; D321-R356 IonicContact OD2-CZ 3.7Å; D321-R356 IonicContact OD2-NH1 2.84Å; D321-R356 PolarHBondContact OD2-NH1 2.77Å; D321-K428 IonicContact OD1-NZ 3.64Å; D321-K428 PolarHBondContact OD1-NZ 3.12Å
322R84.8Confident81.9Confident58 Ų5850 Ų5022%0.21926%0.256CS..Hα-helixtrans-65.8-46.6176.9-77.8-175-68159.4-3.4112.7S307 S318 I319 T320 Q324 L325 A326S307-R322 VanDerWaalsContact OG-CD 3.24Å; S307-R322 WeakPolarHBondContact OG-CD 3.29Å; S318-R322 VanDerWaalsContact O-CB 3.31Å; S318-R322 WeakPolarHBondContact O-CB 3.37Å; S318-R322 VanDerWaalsContact O-CG 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.3Å; S318-R322 PolarHBondContact O-N 2.82Å; S318-R322 PolarHBondContact O-NE 3.28Å; I319-R322 PolarHBondContact O-N 3.45Å; T320-R322 VanDerWaalsContact C-N 3.33Å; T320-R322 PolarHBondContact O-N 3.1Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 2.9Å; R322-L325 PolarHBondContact O-N 2.86Å; R322-A326 WeakPolarHBondContact O-CB 3.33Å; R322-A326 PolarHBondContact O-N 2.89Å
323A88.1Confident83.3Confident34 Ų3448.6 Ų48.628%0.28125%0.246SC..Hα-helixtrans-59.5-44.2178.400000111.5I319 T320 S327 T566I319-A323 WeakPolarHBondContact O-CB 3.16Å; I319-A323 PolarHBondContact O-N 3.45Å; T320-A323 PolarHBondContact O-N 2.94Å; A323-S327 WeakPolarHBondContact O-CB 3.5Å; A323-S327 PolarHBondContact O-N 2.69Å; A323-S327 VanDerWaalsContact O-N 3.07Å; A323-T566 HydrophobicContact CB-CG2 3.98Å
324Q91.5Very high84.8Confident5 Ų548.7 Ų48.72%0.02325%0.246CC..Hα-helixtrans-63.8-44.3175.3-71.8177.6-3600112.3T320 R322 S327 I328 K428 H429 F561 V562 T567 E569T320-Q324 WeakPolarHBondContact O-CG 3.38Å; T320-Q324 PolarHBondContact O-N 2.82Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 2.9Å; Q324-S327 PolarHBondContact O-N 2.9Å; Q324-I328 WeakPolarHBondContact O-CB 3.37Å; Q324-I328 VanDerWaalsContact O-CG1 3.29Å; Q324-I328 WeakPolarHBondContact O-CG1 3.44Å; Q324-I328 PolarHBondContact O-N 2.87Å; Q324-K428 VanDerWaalsContact CB-CE 3.48Å; Q324-H429 VanDerWaalsContact CD-NE2 3.34Å; Q324-H429 PolarHBondContact NE2-CE1 3.45Å; Q324-H429 PolarHBondContact NE2-NE2 2.73Å; Q324-H429 VanDerWaalsContact NE2-NE2 3.15Å; Q324-H429 PolarHBondContact OE1-NE2 2.81Å; Q324-F561 HydrophobicContact CB-CE2 3.87Å; Q324-F561 HydrophobicContact CB-CZ 4.14Å; Q324-F561 HydrophobicContact CG-CE2 3.99Å; Q324-F561 HydrophobicContact CG-CZ 3.89Å; Q324-V562 HydrophobicContact CG-CG1 4.45Å; Q324-V562 HydrophobicContact CG-CG2 4.24Å; Q324-T567 HydrophobicContact CG-CG2 4.08Å; Q324-E569 PolarHBondContact NE2-O 3.25Å
325L90.8Very high86.2Confident5 Ų544.6 Ų44.63%0.02622%0.22CC..Hα-helixtrans-61.7-47.8177.6-76.9167000111.5I303 D321 R322 S327 I328 L329 L357 K428I303-L325 HydrophobicContact CD1-CB 4.35Å; D321-L325 WeakPolarHBondContact O-CB 3.41Å; D321-L325 VanDerWaalsContact O-CG 3.25Å; D321-L325 WeakPolarHBondContact O-CG 3.39Å; D321-L325 PolarHBondContact O-N 2.85Å; R322-L325 PolarHBondContact O-N 2.86Å; L325-S327 VanDerWaalsContact C-N 3.28Å; L325-S327 PolarHBondContact O-N 3.37Å; L325-I328 PolarHBondContact O-N 2.81Å; L325-L329 WeakPolarHBondContact O-CB 3.19Å; L325-L329 VanDerWaalsContact O-CG 3.23Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 2.82Å; L325-L357 HydrophobicContact CD2-CB 4.35Å; L325-L357 HydrophobicContact CD2-CD1 3.74Å; L325-K428 HydrophobicContact CD2-CD 3.96Å; L325-K428 HydrophobicContact CG-CD 4.31Å
326A91.1Very high87.3Confident4 Ų444.5 Ų44.53%0.03322%0.219CC..Hα-helixtrans-58.9-40.4179.100000112F300 I303 R322 G330F300-A326 VanDerWaalsContact CB-O 3.25Å; F300-A326 WeakPolarHBondContact CB-O 3.4Å; F300-A326 PolarHBondContact N-O 2.79Å; I303-A326 HydrophobicContact CG2-CB 3.58Å; R322-A326 WeakPolarHBondContact O-CB 3.33Å; R322-A326 PolarHBondContact O-N 2.89Å; A326-G330 PolarHBondContact O-N 3.11Å
327S94.4Very high88.5Confident1 Ų136 Ų361%0.00718%0.182CC..Hα-helixtrans-73.7-41.7178.6178.50000113.4K298 A323 Q324 L325 L329 G330 H331 F561K298-S327 WeakPolarHBondContact O-CA 3.29Å; K298-S327 WeakPolarHBondContact O-CB 3.38Å; K298-S327 PolarHBondContact O-OG 3.19Å; A323-S327 WeakPolarHBondContact O-CB 3.5Å; A323-S327 PolarHBondContact O-N 2.69Å; A323-S327 VanDerWaalsContact O-N 3.07Å; Q324-S327 PolarHBondContact O-N 2.9Å; L325-S327 VanDerWaalsContact C-N 3.28Å; L325-S327 PolarHBondContact O-N 3.37Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 PolarHBondContact O-N 3.48Å; S327-G330 PolarHBondContact O-N 3.07Å; S327-H331 PolarHBondContact O-CD2 2.75Å; S327-H331 PolarHBondContact O-N 3.08Å; S327-F561 WeakPolarHBondContact CB-O 3.37Å; S327-F561 WeakPolarHBondContact OG-CD2 3.31Å; S327-F561 PolarHBondContact OG-O 3.14Å
328I95.2Very high89.4Confident0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-57.8-42.9172.8-70.9165.6000110.9Q324 L325 H331 L332 L357 K428 I456 A458 F561 L572Q324-I328 WeakPolarHBondContact O-CB 3.37Å; Q324-I328 VanDerWaalsContact O-CG1 3.29Å; Q324-I328 WeakPolarHBondContact O-CG1 3.44Å; Q324-I328 PolarHBondContact O-N 2.87Å; L325-I328 PolarHBondContact O-N 2.81Å; I328-H331 PolarHBondContact O-N 3.44Å; I328-L332 HydrophobicContact CG2-CD1 4.14Å; I328-L332 WeakPolarHBondContact O-CG 3.2Å; I328-L332 PolarHBondContact O-N 2.84Å; I328-L357 HydrophobicContact CG2-CD1 3.92Å; I328-L357 HydrophobicContact CG2-CD2 4.18Å; I328-K428 HydrophobicContact CD1-CB 4.29Å; I328-K428 HydrophobicContact CD1-CD 4.17Å; I328-K428 HydrophobicContact CD1-CG 4.06Å; I328-I456 HydrophobicContact CG2-CG2 4.22Å; I328-A458 HydrophobicContact CD1-CB 4.41Å; I328-F561 HydrophobicContact CD1-CE2 4.04Å; I328-F561 HydrophobicContact CD1-CZ 4.44Å; I328-F561 HydrophobicContact CG1-CD2 4.08Å; I328-F561 HydrophobicContact CG1-CE2 3.73Å; I328-F561 HydrophobicContact CG1-CZ 4.47Å; I328-L572 HydrophobicContact CG1-CD1 4.13Å
329L93.5Very high89.9Confident0 Ų027.6 Ų27.60%016%0.157CC..Hα-helixtrans-67.8-38.8178.3-66.9170.3000112.5F300 I303 L325 S327 H331 L332 Q333 F338 L357 W360 I361 L364F300-L329 HydrophobicContact CB-CB 3.79Å; F300-L329 HydrophobicContact CD1-CB 4.33Å; F300-L329 HydrophobicContact CD2-CB 4.12Å; F300-L329 HydrophobicContact CG-CB 3.82Å; I303-L329 HydrophobicContact CB-CD1 4.27Å; I303-L329 HydrophobicContact CD1-CD1 3.27Å; I303-L329 HydrophobicContact CG1-CD1 4.36Å; I303-L329 HydrophobicContact CG2-CD1 4.48Å; L325-L329 WeakPolarHBondContact O-CB 3.19Å; L325-L329 VanDerWaalsContact O-CG 3.23Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 2.82Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 PolarHBondContact O-N 3.48Å; L329-H331 VanDerWaalsContact C-N 3.34Å; L329-L332 HydrophobicContact CD2-CD1 4.15Å; L329-L332 WeakPolarHBondContact O-CB 3.33Å; L329-L332 PolarHBondContact O-N 3.35Å; L329-Q333 PolarHBondContact O-N 2.95Å; L329-F338 HydrophobicContact CD2-CZ 3.98Å; L329-L357 HydrophobicContact CD2-CD1 4.34Å; L329-W360 HydrophobicContact CD1-CB 4.32Å; L329-I361 HydrophobicContact CD2-CD1 4.46Å; L329-I361 HydrophobicContact CD2-CG1 3.58Å; L329-L364 HydrophobicContact CD1-CD1 4.02Å; L329-L364 HydrophobicContact CD2-CD1 4.18Å
330G93.9Very high90.2Very high3 Ų329.2 Ų29.23%0.03117%0.166CC..Hα-helixtrans-61.8-43.3174.100000111.7A326 S327 L332 Q333 D334A326-G330 PolarHBondContact O-N 3.11Å; S327-G330 PolarHBondContact O-N 3.07Å; G330-L332 VanDerWaalsContact C-N 3.34Å; G330-L332 PolarHBondContact O-N 3.46Å; G330-Q333 PolarHBondContact O-N 2.97Å; G330-D334 PolarHBondContact O-N 3.02Å
331H95.7Very high90.4Very high1 Ų132 Ų321%0.00518%0.18CC..Hα-helixtrans-64.6-36.5173.4-78.5-68.9000112.6E296 S327 I328 L329 D334 N335 I456 L572 I574E296-H331 PolarHBondContact O-CE1 3.13Å; E296-H331 PolarHBondContact O-NE2 3.22Å; E296-H331 IonicContact OE2-CE1 2.99Å; S327-H331 PolarHBondContact O-CD2 2.75Å; S327-H331 PolarHBondContact O-N 3.08Å; I328-H331 PolarHBondContact O-N 3.44Å; L329-H331 VanDerWaalsContact C-N 3.34Å; H331-D334 PolarHBondContact O-N 3.11Å; H331-N335 PolarHBondContact O-N 3.06Å; H331-N335 VanDerWaalsContact O-N 3.12Å; H331-N335 PolarHBondContact O-ND2 3.07Å; H331-I456 VanDerWaalsContact C-CD1 3.4Å; H331-I456 HydrophobicContact CB-CD1 3.82Å; H331-I456 WeakPolarHBondContact O-CD1 3.5Å; H331-L572 HydrophobicContact CB-CD2 3.94Å; H331-L572 VanDerWaalsContact CD2-CD2 3.48Å; H331-L572 WeakPolarHBondContact CD2-CD2 3.5Å; H331-I574 HydrophobicContact CB-CD1 4.4Å; H331-I574 WeakPolarHBondContact ND1-CD1 3.32Å
332L94.1Very high90.5Very high0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-62.6-44.7174.1-78.6166.3000111.5I328 L329 G330 N335 G336 A337 F338 I361 V424 I426 I456I328-L332 HydrophobicContact CG2-CD1 4.14Å; I328-L332 WeakPolarHBondContact O-CG 3.2Å; I328-L332 PolarHBondContact O-N 2.84Å; L329-L332 HydrophobicContact CD2-CD1 4.15Å; L329-L332 WeakPolarHBondContact O-CB 3.33Å; L329-L332 PolarHBondContact O-N 3.35Å; G330-L332 VanDerWaalsContact C-N 3.34Å; G330-L332 PolarHBondContact O-N 3.46Å; L332-N335 CarbonylContact O-C 3.14Å; L332-N335 PolarHBondContact O-N 3.08Å; L332-G336 PolarHBondContact O-N 2.93Å; L332-A337 HydrophobicContact CB-CB 4Å; L332-A337 HydrophobicContact CD2-CB 3.77Å; L332-A337 WeakPolarHBondContact O-CB 3.36Å; L332-A337 PolarHBondContact O-N 3.28Å; L332-F338 HydrophobicContact CB-CE1 4.2Å; L332-F338 HydrophobicContact CB-CE2 3.94Å; L332-F338 HydrophobicContact CB-CZ 3.6Å; L332-F338 HydrophobicContact CD1-CZ 4.06Å; L332-F338 HydrophobicContact CG-CZ 4.46Å; L332-I361 HydrophobicContact CD1-CD1 3.92Å; L332-I361 HydrophobicContact CD1-CG1 4.42Å; L332-V424 HydrophobicContact CD2-CG1 3.63Å; L332-I426 HydrophobicContact CD1-CG2 4.15Å; L332-I426 HydrophobicContact CD2-CG2 3.76Å; L332-I456 HydrophobicContact CB-CD1 4.47Å; L332-I456 HydrophobicContact CD2-CB 4.11Å; L332-I456 HydrophobicContact CD2-CD1 3.89Å; L332-I456 HydrophobicContact CD2-CG1 3.93Å; L332-I456 HydrophobicContact CG-CB 4.47Å; L332-I456 HydrophobicContact CG-CD1 4.01Å; L332-I456 HydrophobicContact CG-CG1 4.45Å
333Q91.4Very high90.7Very high104 Ų10431 Ų3149%0.48619%0.186SC..Hα-helixtrans-59.8-50.8176.1-176.1-178.91.500111.6F300 L329 G330 N335 G336 F338F300-Q333 HydrophobicContact CD2-CB 4.3Å; F300-Q333 HydrophobicContact CE2-CB 4.1Å; F300-Q333 HydrophobicContact CE2-CG 4.37Å; L329-Q333 PolarHBondContact O-N 2.95Å; G330-Q333 PolarHBondContact O-N 2.97Å; Q333-N335 PolarHBondContact O-N 2.91Å; Q333-G336 PolarHBondContact O-N 3.07Å; Q333-F338 HydrophobicContact CB-CD2 3.83Å; Q333-F338 HydrophobicContact CB-CE2 4.13Å; Q333-F338 HydrophobicContact CG-CD2 4.38Å
334D92.4Very high90.9Very high92 Ų9233 Ų3349%0.49219%0.19SC..Hα-helixtrans-63.2-25.6-178.3-807.1000113.2K298 G330 H331 G336K298-D334 VanDerWaalsContact CD-OD2 3.25Å; K298-D334 WeakPolarHBondContact CD-OD2 3.25Å; K298-D334 WeakPolarHBondContact CE-OD2 3.06Å; K298-D334 IonicContact NZ-OD2 3.7Å; K298-D334 PolarHBondContact NZ-OD2 2.77Å; G330-D334 PolarHBondContact O-N 3.02Å; H331-D334 PolarHBondContact O-N 3.11Å; D334-G336 VanDerWaalsContact C-N 3.35Å
335N92.8Very high91.1Very high25 Ų2532.8 Ų32.813%0.13419%0.189CC..THydrogen-bonded Turntrans-97.620.8175.7-66-92.3000112.5H331 L332 Q333 A337 T454 I456 N576H331-N335 PolarHBondContact O-N 3.06Å; H331-N335 VanDerWaalsContact O-N 3.12Å; H331-N335 PolarHBondContact O-ND2 3.07Å; L332-N335 CarbonylContact O-C 3.14Å; L332-N335 PolarHBondContact O-N 3.08Å; Q333-N335 PolarHBondContact O-N 2.91Å; N335-A337 VanDerWaalsContact C-N 3.3Å; N335-A337 PolarHBondContact O-N 2.94Å; N335-T454 HydrophobicContact CB-CG2 3.99Å; N335-I456 HydrophobicContact CB-CD1 4.45Å; N335-N576 PolarHBondContact OD1-ND2 2.82Å
336G89.7Confident91.3Very high30 Ų3032.5 Ų32.531%0.30919%0.188SC..THydrogen-bonded Turntrans73.911.9169.800000115.5L332 Q333 D334 F338 A339L332-G336 PolarHBondContact O-N 2.93Å; Q333-G336 PolarHBondContact O-N 3.07Å; D334-G336 VanDerWaalsContact C-N 3.35Å; G336-F338 PolarHBondContact O-N 3Å; G336-A339 WeakPolarHBondContact O-CB 3Å; G336-A339 PolarHBondContact O-N 2.99Å
337A89.8Confident91.6Very high0 Ų032.3 Ų32.30%019%0.186CC..THydrogen-bonded Turntrans-66.5-20.4-175.800000113.6L332 N335 F347 V424L332-A337 HydrophobicContact CB-CB 4Å; L332-A337 HydrophobicContact CD2-CB 3.77Å; L332-A337 WeakPolarHBondContact O-CB 3.36Å; L332-A337 PolarHBondContact O-N 3.28Å; N335-A337 VanDerWaalsContact C-N 3.3Å; N335-A337 PolarHBondContact O-N 2.94Å; A337-F347 HydrophobicContact CB-CE1 4.14Å; A337-F347 WeakPolarHBondContact O-CZ 3.4Å; A337-V424 HydrophobicContact CB-CG1 3.98Å; A337-V424 HydrophobicContact CB-CG2 4.04Å
338F87.9Confident91.7Very high29 Ų2932.3 Ų32.313%0.12719%0.186CC..THydrogen-bonded Turntrans-10719.9-179.9-54.5-34.6000113F300 L329 L332 Q333 G336 D340 F347 I361 Q365F300-F338 HydrophobicContact CE2-CD2 4.17Å; F300-F338 AromaticContact CE2-CE2 3.98Å; F300-F338 HydrophobicContact CE2-CE2 3.98Å; F300-F338 HydrophobicContact CZ-CE2 4.45Å; L329-F338 HydrophobicContact CD2-CZ 3.98Å; L332-F338 HydrophobicContact CB-CE1 4.2Å; L332-F338 HydrophobicContact CB-CE2 3.94Å; L332-F338 HydrophobicContact CB-CZ 3.6Å; L332-F338 HydrophobicContact CD1-CZ 4.06Å; L332-F338 HydrophobicContact CG-CZ 4.46Å; Q333-F338 HydrophobicContact CB-CD2 3.83Å; Q333-F338 HydrophobicContact CB-CE2 4.13Å; Q333-F338 HydrophobicContact CG-CD2 4.38Å; G336-F338 PolarHBondContact O-N 3Å; F338-D340 PolarHBondContact O-N 3.49Å; F338-F347 HydrophobicContact CD1-CE1 4.3Å; F338-F347 AromaticContact CD1-CZ 3.75Å; F338-F347 HydrophobicContact CD1-CZ 3.75Å; F338-F347 AromaticContact CE1-CE1 3.87Å; F338-F347 HydrophobicContact CE1-CE1 3.87Å; F338-F347 AromaticContact CE1-CZ 3.7Å; F338-F347 HydrophobicContact CE1-CZ 3.7Å; F338-I361 HydrophobicContact CE1-CG1 4.49Å; F338-I361 HydrophobicContact CE1-CG2 3.85Å; F338-Q365 HydrophobicContact CD1-CG 4.44Å
339A85.6Confident91.9Very high35 Ų3532.7 Ų32.729%0.28919%0.187SC..  trans-63124.517900000111G336 D341 R422G336-A339 WeakPolarHBondContact O-CB 3Å; G336-A339 PolarHBondContact O-N 2.99Å; A339-D341 VanDerWaalsContact C-N 3.26Å; A339-D341 PolarHBondContact O-N 3.11Å; A339-R422 PolarHBondContact O-NH2 2.66Å
340D83.6Confident92.1Very high122 Ų12232.7 Ų32.765%0.65219%0.188SC*.  trans-89.265.4172.4-17018.7000110.3F338 L368F338-D340 PolarHBondContact O-N 3.49Å; D340-L368 HydrophobicContact CB-CD2 4.42Å; D340-L368 WeakPolarHBondContact OD2-CD2 3.2Å
341D87.6Confident92.1Very high86 Ų8634.2 Ų34.246%0.4620%0.203SC..SBendtrans-98.77.9179.65312.6000112.2A339 V343 R422A339-D341 VanDerWaalsContact C-N 3.26Å; A339-D341 PolarHBondContact O-N 3.11Å; D341-V343 HydrophobicContact CB-CG2 4.36Å; D341-V343 PolarHBondContact O-N 3.05Å; D341-V343 VanDerWaalsContact OD1-CB 3.23Å; D341-V343 WeakPolarHBondContact OD1-CB 3.37Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.37Å; D341-V343 PolarHBondContact OD1-N 3.19Å; D341-R422 IonicContact OD1-CZ 3.43Å; D341-R422 IonicContact OD1-NH1 3.51Å; D341-R422 IonicContact OD1-NH2 2.77Å; D341-R422 PolarHBondContact OD1-NH2 3.37Å; D341-R422 IonicContact OD2-CZ 3.9Å; D341-R422 IonicContact OD2-NH1 2.7Å; D341-R422 PolarHBondContact OD2-NH1 3.44Å; D341-R422 IonicContact OD2-NH2 3.28Å; D341-R422 PolarHBondContact OD2-NH2 3.44Å
342G86.7Confident92Very high25 Ų2534.6 Ų34.626%0.25821%0.206SC..SBendtrans71.19.6-17400000114R370G342-R370 WeakPolarHBondContact O-CD 3.27Å; G342-R370 PolarHBondContact O-NH1 3.44Å
343V89.4Confident91.9Very high49 Ų4935.6 Ų35.630%0.29722%0.217SC..  trans-81.8134.6178.1-179.30000110.3D341 T345 S421 R422D341-V343 HydrophobicContact CB-CG2 4.36Å; D341-V343 PolarHBondContact O-N 3.05Å; D341-V343 VanDerWaalsContact OD1-CB 3.23Å; D341-V343 WeakPolarHBondContact OD1-CB 3.37Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.37Å; D341-V343 PolarHBondContact OD1-N 3.19Å; V343-T345 PolarHBondContact O-N 2.86Å; V343-T345 VanDerWaalsContact O-N 3.13Å; V343-T345 PolarHBondContact O-OG1 3.19Å; V343-T345 VanDerWaalsContact O-OG1 3.09Å; V343-S421 VanDerWaalsContact CG1-CB 3.41Å; V343-R422 HydrophobicContact CG1-CB 3.87Å
344E92.5Very high91.9Very high77 Ų7736.6 Ų36.636%0.3622%0.216SC..  trans-65.8114.4173.6-173.4175.3-176.400110.4R370 S421 R422E344-R370 WeakPolarHBondContact CA-O 3.48Å; E344-S421 PolarHBondContact O-N 3.29Å; E344-S421 VanDerWaalsContact O-N 3.15Å; E344-R422 PolarHBondContact O-N 3.45Å
345T94.5Very high91.8Very high0 Ų032.3 Ų32.30%019%0.193CC..EExtended strand (participates in β ladder)trans-113122.1-173.2-55.90000110.7V343 F347 R370 H371 S372 R422 V424V343-T345 PolarHBondContact O-N 2.86Å; V343-T345 VanDerWaalsContact O-N 3.13Å; V343-T345 PolarHBondContact O-OG1 3.19Å; V343-T345 VanDerWaalsContact O-OG1 3.09Å; T345-F347 HydrophobicContact CG2-CD2 4.46Å; T345-F347 HydrophobicContact CG2-CE2 4.01Å; T345-F347 HydrophobicContact CG2-CZ 4.2Å; T345-R370 PolarHBondContact N-O 3.3Å; T345-H371 WeakPolarHBondContact O-CA 3.15Å; T345-S372 PolarHBondContact O-N 3.46Å; T345-R422 CarbonylContact C-O 3.53Å; T345-R422 VanDerWaalsContact CA-O 3.3Å; T345-R422 WeakPolarHBondContact CA-O 3.26Å; T345-R422 HydrophobicContact CG2-CB 4.48Å; T345-R422 HydrophobicContact CG2-CG 4.11Å; T345-R422 VanDerWaalsContact OG1-CZ 3.28Å; T345-R422 PolarHBondContact OG1-NE 2.82Å; T345-R422 PolarHBondContact OG1-NH2 3.29Å; T345-V424 HydrophobicContact CG2-CG2 4.17Å
346C95.7Very high91.6Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-103.4120.4173.8-173.30000110.7S372 V374 A420 R422 V423 V424C346-S372 WeakPolarHBondContact CA-O 3.47Å; C346-S372 WeakPolarHBondContact CB-OG 3.47Å; C346-S372 PolarHBondContact SG-OG 3.43Å; C346-S372 VanDerWaalsContact SG-OG 3.39Å; C346-V374 VanDerWaalsContact SG-CG2 3.55Å; C346-A420 HydrophobicContact CB-CB 3.45Å; C346-A420 VanDerWaalsContact CB-CB 3.45Å; C346-R422 PolarHBondContact N-O 2.9Å; C346-V423 HydrophobicContact CB-CG2 4.34Å; C346-V423 WeakPolarHBondContact O-CA 3.37Å; C346-V424 PolarHBondContact O-N 2.94Å
347F97Very high91.7Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-88.3114.2169.7-70.5-83.4000110.2A337 F338 T345 I361 H371 S372 Y373 V374 V424A337-F347 HydrophobicContact CB-CE1 4.14Å; A337-F347 WeakPolarHBondContact O-CZ 3.4Å; F338-F347 HydrophobicContact CD1-CE1 4.3Å; F338-F347 AromaticContact CD1-CZ 3.75Å; F338-F347 HydrophobicContact CD1-CZ 3.75Å; F338-F347 AromaticContact CE1-CE1 3.87Å; F338-F347 HydrophobicContact CE1-CE1 3.87Å; F338-F347 AromaticContact CE1-CZ 3.7Å; F338-F347 HydrophobicContact CE1-CZ 3.7Å; T345-F347 HydrophobicContact CG2-CD2 4.46Å; T345-F347 HydrophobicContact CG2-CE2 4.01Å; T345-F347 HydrophobicContact CG2-CZ 4.2Å; F347-I361 HydrophobicContact CD1-CD1 4.02Å; F347-I361 HydrophobicContact CD1-CG2 4.05Å; F347-I361 HydrophobicContact CD2-CG2 3.82Å; F347-I361 HydrophobicContact CE1-CD1 4.41Å; F347-I361 HydrophobicContact CE1-CG2 3.92Å; F347-I361 HydrophobicContact CE2-CG2 3.67Å; F347-I361 HydrophobicContact CG-CG2 4Å; F347-I361 HydrophobicContact CZ-CG2 3.73Å; F347-H371 AromaticContact CE2-CD2 3.75Å; F347-S372 PolarHBondContact N-O 3.26Å; F347-Y373 HydrophobicContact CB-CD1 3.91Å; F347-Y373 HydrophobicContact CB-CE1 4.4Å; F347-Y373 HydrophobicContact CD2-CD1 4.08Å; F347-Y373 AromaticContact CD2-CE1 3.72Å; F347-Y373 HydrophobicContact CD2-CE1 3.72Å; F347-Y373 HydrophobicContact CE2-CE1 4.43Å; F347-Y373 HydrophobicContact CG-CD1 4.35Å; F347-Y373 HydrophobicContact CG-CE1 4.35Å; F347-Y373 CarbonylContact O-C 3.58Å; F347-Y373 WeakPolarHBondContact O-CA 3.33Å; F347-V374 PolarHBondContact O-N 3.09Å; F347-V424 WeakPolarHBondContact CA-O 3.33Å; F347-V424 HydrophobicContact CD1-CB 3.94Å; F347-V424 HydrophobicContact CD1-CG1 4.12Å; F347-V424 HydrophobicContact CE1-CB 4.04Å; F347-V424 HydrophobicContact CE1-CG1 4.09Å; F347-V424 HydrophobicContact CE1-CG2 4.39Å
348L97.6Very high92Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-100.8102.8-179.8174.965.1000110.3F350 V374 V376 L411 V417 V423 V424 A425 I426L348-F350 HydrophobicContact CD2-CE1 4.44Å; L348-F350 HydrophobicContact CD2-CE2 3.65Å; L348-F350 HydrophobicContact CD2-CZ 3.6Å; L348-F350 HydrophobicContact CG-CD2 4.43Å; L348-F350 HydrophobicContact CG-CE2 3.97Å; L348-F350 HydrophobicContact CG-CZ 4.16Å; L348-V374 CarbonylContact C-O 3.53Å; L348-V374 WeakPolarHBondContact CA-O 3.34Å; L348-V374 HydrophobicContact CD1-CB 3.96Å; L348-V374 HydrophobicContact CD1-CG1 3.62Å; L348-V376 HydrophobicContact CD1-CG2 3.74Å; L348-L411 HydrophobicContact CD1-CD2 4.26Å; L348-L411 HydrophobicContact CD2-CD1 3.78Å; L348-L411 HydrophobicContact CD2-CD2 3.54Å; L348-L411 HydrophobicContact CD2-CG 4.31Å; L348-V417 HydrophobicContact CD1-CG2 4.43Å; L348-V423 HydrophobicContact CB-CG1 4.27Å; L348-V424 PolarHBondContact N-O 3.28Å; L348-A425 CarbonylContact O-C 3.37Å; L348-A425 WeakPolarHBondContact O-CA 3.48Å; L348-I426 PolarHBondContact O-N 2.84Å
349E97.8Very high92.2Very high8 Ų832.6 Ų32.64%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-91.4108.7177.6-170.5178.1179.800111.3A352 L357 S358 V374 V376 I426E349-A352 HydrophobicContact CB-CB 4.03Å; E349-A352 HydrophobicContact CG-CB 3.7Å; E349-L357 WeakPolarHBondContact OE1-CB 3.45Å; E349-S358 WeakPolarHBondContact CB-OG 3.43Å; E349-S358 WeakPolarHBondContact OE2-CB 3.46Å; E349-S358 PolarHBondContact OE2-N 2.79Å; E349-S358 VanDerWaalsContact OE2-N 3.08Å; E349-S358 PolarHBondContact OE2-OG 2.93Å; E349-V374 PolarHBondContact N-O 3.07Å; E349-V376 PolarHBondContact O-N 3.42Å; E349-I426 WeakPolarHBondContact CA-O 3.44Å; E349-I426 HydrophobicContact CB-CD1 4.12Å; E349-I426 HydrophobicContact CB-CG1 3.82Å; E349-I426 HydrophobicContact CG-CD1 4.41Å; E349-I426 HydrophobicContact CG-CG1 4.07Å
350F97.7Very high92.4Very high1 Ų131.4 Ų31.40%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-78.9133.6171.3-70.4-78000111.5L348 A352 V376 I406 L409 L411 A425 I426 C427 L430 A438 C441 L442 M457L348-F350 HydrophobicContact CD2-CE1 4.44Å; L348-F350 HydrophobicContact CD2-CE2 3.65Å; L348-F350 HydrophobicContact CD2-CZ 3.6Å; L348-F350 HydrophobicContact CG-CD2 4.43Å; L348-F350 HydrophobicContact CG-CE2 3.97Å; L348-F350 HydrophobicContact CG-CZ 4.16Å; F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 PolarHBondContact O-N 3.38Å; F350-V376 HydrophobicContact CD1-CB 4.43Å; F350-I406 HydrophobicContact CB-CD1 4.09Å; F350-I406 HydrophobicContact CD1-CD1 3.8Å; F350-I406 HydrophobicContact CD1-CG1 4.03Å; F350-I406 HydrophobicContact CD1-CG2 3.97Å; F350-I406 HydrophobicContact CE1-CG2 3.93Å; F350-I406 HydrophobicContact CG-CD1 4.37Å; F350-L409 HydrophobicContact CE1-CD2 4.17Å; F350-L411 HydrophobicContact CZ-CD1 4.26Å; F350-L411 HydrophobicContact CZ-CD2 4.31Å; F350-A425 HydrophobicContact CE2-CB 4.1Å; F350-I426 PolarHBondContact N-O 2.65Å; F350-C427 HydrophobicContact CB-CB 4.18Å; F350-C427 VanDerWaalsContact O-CB 3.29Å; F350-C427 WeakPolarHBondContact O-CB 3.49Å; F350-L430 HydrophobicContact CB-CD2 3.88Å; F350-A438 HydrophobicContact CB-CB 4.4Å; F350-A438 HydrophobicContact CD1-CB 4.07Å; F350-A438 HydrophobicContact CD2-CB 4.27Å; F350-A438 HydrophobicContact CE1-CB 4.36Å; F350-A438 HydrophobicContact CG-CB 4Å; F350-C441 HydrophobicContact CE1-CB 4.4Å; F350-C441 HydrophobicContact CZ-CB 4.36Å; F350-L442 HydrophobicContact CE2-CD2 3.89Å; F350-L442 HydrophobicContact CE2-CG 4.4Å; F350-L442 HydrophobicContact CZ-CD2 4.28Å; F350-M457 HydrophobicContact CD2-CE 4.33Å
351G94.9Very high92.8Very high35 Ų3525.6 Ų25.636%0.36114%0.14SC..THydrogen-bonded Turntrans65.534.7-179.700000112.8G353 V376G351-G353 PolarHBondContact O-N 3.01Å; G351-V376 CarbonylContact C-O 3.6Å; G351-V376 WeakPolarHBondContact CA-O 3.41Å; G351-V376 PolarHBondContact N-O 3.45Å
352A94.4Very high93Very high8 Ų821.5 Ų21.57%0.06612%0.118CC..  trans-56.7-32.1-168.400000113.7E349 F350 R354 G355 L375 V376E349-A352 HydrophobicContact CB-CB 4.03Å; E349-A352 HydrophobicContact CG-CB 3.7Å; F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 PolarHBondContact O-N 3.38Å; A352-R354 PolarHBondContact O-N 2.84Å; A352-G355 PolarHBondContact O-N 3.32Å; A352-L375 HydrophobicContact CB-CB 3.68Å; A352-L375 HydrophobicContact CB-CD2 3.95Å; A352-L375 HydrophobicContact CB-CG 3.95Å; A352-V376 PolarHBondContact N-O 2.88Å
353G91Very high93Very high21 Ų2121.4 Ų21.422%0.21611%0.11CC..THydrogen-bonded Turntrans54.4-110.1-179.600000110.8G351 G355 E377 V381 R401G351-G353 PolarHBondContact O-N 3.01Å; G353-G355 VanDerWaalsContact C-N 3.28Å; G353-G355 PolarHBondContact O-N 3.05Å; G353-E377 WeakPolarHBondContact CA-OE2 3.49Å; G353-V381 VanDerWaalsContact C-CG2 3.41Å; G353-V381 WeakPolarHBondContact O-CG2 3.49Å; G353-R401 PolarHBondContact O-NH1 2.84Å; G353-R401 PolarHBondContact O-NH2 2.94Å
354R90.4Very high92.7Very high126 Ų12620.6 Ų20.648%0.47510%0.104SC..THydrogen-bonded Turntrans-73.7-13176.5-63.2-173.1-173-177.91.7114.4A352 V381 F385A352-R354 PolarHBondContact O-N 2.84Å; R354-V381 HydrophobicContact CG-CG1 4.28Å; R354-F385 HydrophobicContact CB-CD2 4.03Å; R354-F385 HydrophobicContact CB-CE2 4.38Å; R354-F385 WeakPolarHBondContact O-CB 3.43Å; R354-F385 PolarHBondContact O-N 2.99Å
355G90.9Very high92.2Very high1 Ų117.5 Ų17.51%0.019%0.09CC..THydrogen-bonded Turntrans75.434.117900000114.2A352 G353 Y359 F385A352-G355 PolarHBondContact O-N 3.32Å; G353-G355 VanDerWaalsContact C-N 3.28Å; G353-G355 PolarHBondContact O-N 3.05Å; G355-Y359 VanDerWaalsContact O-CB 3.29Å; G355-Y359 WeakPolarHBondContact O-CB 3.33Å; G355-Y359 PolarHBondContact O-N 3.37Å; G355-Y359 VanDerWaalsContact O-N 3.07Å; G355-F385 WeakPolarHBondContact O-CB 3.4Å
356R89.4Confident91.1Very high89 Ų8920.8 Ų20.834%0.33611%0.113SC..Hα-helixtrans-69.6-38.5-176.7-100.2-174.7174.2170.1-1.3112.6D321 W360 F385D321-R356 IonicContact OD2-CZ 3.7Å; D321-R356 IonicContact OD2-NH1 2.84Å; D321-R356 PolarHBondContact OD2-NH1 2.77Å; R356-W360 PolarHBondContact O-N 3.46Å; R356-F385 HydrophobicContact CG-CD1 3.82Å; R356-F385 HydrophobicContact CG-CD2 3.9Å; R356-F385 HydrophobicContact CG-CE1 3.68Å; R356-F385 HydrophobicContact CG-CE2 3.76Å; R356-F385 HydrophobicContact CG-CG 3.94Å; R356-F385 HydrophobicContact CG-CZ 3.67Å
357L92.1Very high89.7Confident2 Ų224.4 Ų24.41%0.0115%0.15CC..Hα-helixtrans-70.2-50.7-178.8-178.862.1000110.3L325 I328 L329 E349 Y359 W360 I361 I426 K428L325-L357 HydrophobicContact CD2-CB 4.35Å; L325-L357 HydrophobicContact CD2-CD1 3.74Å; I328-L357 HydrophobicContact CG2-CD1 3.92Å; I328-L357 HydrophobicContact CG2-CD2 4.18Å; L329-L357 HydrophobicContact CD2-CD1 4.34Å; E349-L357 WeakPolarHBondContact OE1-CB 3.45Å; L357-Y359 VanDerWaalsContact C-N 3.26Å; L357-Y359 PolarHBondContact O-N 3.19Å; L357-W360 PolarHBondContact O-N 3.15Å; L357-W360 VanDerWaalsContact O-N 3.08Å; L357-I361 HydrophobicContact CD1-CD1 4.41Å; L357-I361 HydrophobicContact CG-CD1 4.13Å; L357-I361 WeakPolarHBondContact O-CG1 3.38Å; L357-I361 PolarHBondContact O-N 3.25Å; L357-I426 HydrophobicContact CD2-CB 3.94Å; L357-I426 HydrophobicContact CD2-CD1 3.68Å; L357-I426 HydrophobicContact CD2-CG1 3.92Å; L357-I426 HydrophobicContact CG-CD1 3.86Å; L357-K428 HydrophobicContact CD2-CB 4.48Å
358S94.3Very high88.5Confident0 Ų026.2 Ų26.20%016%0.16CC..Hα-helixtrans-58.6-34.9173.6-69.20000113.4E349 I361 S362E349-S358 WeakPolarHBondContact CB-OG 3.43Å; E349-S358 WeakPolarHBondContact OE2-CB 3.46Å; E349-S358 PolarHBondContact OE2-N 2.79Å; E349-S358 VanDerWaalsContact OE2-N 3.08Å; E349-S358 PolarHBondContact OE2-OG 2.93Å; S358-I361 PolarHBondContact O-N 2.97Å; S358-S362 WeakPolarHBondContact O-CB 3.45Å; S358-S362 PolarHBondContact O-N 2.72Å; S358-S362 PolarHBondContact O-OG 3.19Å
359Y92.7Very high87.1Confident0 Ų031 Ų310%019%0.193CC..Hα-helixtrans-58.6-48.5173.1163.1-89.1000111.7K310 F311 G355 L357 S362 M363 F385 K388 A389 D392K310-Y359 WeakPolarHBondContact CD-OH 3.48Å; K310-Y359 PolarHBondContact NZ-OH 3.37Å; F311-Y359 HydrophobicContact CE2-CE1 4.02Å; F311-Y359 AromaticContact CZ-CE1 3.97Å; F311-Y359 HydrophobicContact CZ-CE1 3.97Å; G355-Y359 VanDerWaalsContact O-CB 3.29Å; G355-Y359 WeakPolarHBondContact O-CB 3.33Å; G355-Y359 PolarHBondContact O-N 3.37Å; G355-Y359 VanDerWaalsContact O-N 3.07Å; L357-Y359 VanDerWaalsContact C-N 3.26Å; L357-Y359 PolarHBondContact O-N 3.19Å; Y359-S362 PolarHBondContact O-N 2.82Å; Y359-S362 PolarHBondContact O-OG 2.86Å; Y359-M363 HydrophobicContact CD1-CG 4.49Å; Y359-M363 HydrophobicContact CD2-CG 4.44Å; Y359-M363 HydrophobicContact CE1-CG 4.07Å; Y359-M363 HydrophobicContact CE2-CG 4.02Å; Y359-M363 HydrophobicContact CE2-SD 4.02Å; Y359-M363 VanDerWaalsContact O-CG 3.26Å; Y359-M363 WeakPolarHBondContact O-CG 2.98Å; Y359-M363 PolarHBondContact O-N 2.91Å; Y359-M363 VanDerWaalsContact O-N 3.08Å; Y359-F385 AromaticContact CD1-CD1 3.95Å; Y359-F385 HydrophobicContact CD1-CD1 3.95Å; Y359-F385 HydrophobicContact CD2-CB 4.32Å; Y359-F385 HydrophobicContact CD2-CD1 4.18Å; Y359-F385 HydrophobicContact CE1-CD1 4.47Å; Y359-F385 HydrophobicContact CG-CB 4.13Å; Y359-F385 AromaticContact CG-CD1 3.81Å; Y359-F385 HydrophobicContact CG-CD1 3.81Å; Y359-F385 HydrophobicContact CG-CG 4.48Å; Y359-K388 HydrophobicContact CD2-CB 4.35Å; Y359-K388 HydrophobicContact CE2-CB 4.1Å; Y359-K388 HydrophobicContact CE2-CD 3.93Å; Y359-K388 HydrophobicContact CE2-CG 3.83Å; Y359-K388 WeakPolarHBondContact OH-CE 3.27Å; Y359-A389 HydrophobicContact CD2-CB 3.85Å; Y359-A389 HydrophobicContact CE2-CB 4.4Å; Y359-D392 PolarHBondContact OH-OD2 3.35Å; Y359-D392 VanDerWaalsContact OH-OD2 3.1Å
360W90.2Very high86.7Confident10 Ų1037.4 Ų37.44%0.03822%0.217CC..Hα-helixtrans-64.7-44.4-179.7-76.6121.5000112.2I303 L306 F311 L329 R356 L357 S362 M363 L364I303-W360 HydrophobicContact CD1-CB 3.78Å; I303-W360 HydrophobicContact CD1-CD2 3.38Å; I303-W360 HydrophobicContact CD1-CE3 3.73Å; I303-W360 HydrophobicContact CD1-CG 3.41Å; I303-W360 VanDerWaalsContact CD1-CG 3.41Å; I303-W360 HydrophobicContact CD1-CZ2 4.49Å; I303-W360 HydrophobicContact CD1-CZ3 4.45Å; I303-W360 HydrophobicContact CG1-CD2 3.93Å; I303-W360 HydrophobicContact CG1-CE3 3.87Å; I303-W360 HydrophobicContact CG1-CG 4.45Å; I303-W360 HydrophobicContact CG1-CH2 4.39Å; I303-W360 HydrophobicContact CG1-CZ2 4.4Å; I303-W360 HydrophobicContact CG1-CZ3 4.13Å; L306-W360 HydrophobicContact CB-CH2 4.43Å; L306-W360 HydrophobicContact CB-CZ3 3.91Å; F311-W360 AromaticContact CD2-CH2 3.85Å; F311-W360 HydrophobicContact CD2-CH2 3.85Å; F311-W360 AromaticContact CD2-CZ2 3.61Å; F311-W360 HydrophobicContact CD2-CZ2 3.61Å; F311-W360 AromaticContact CE2-CH2 3.51Å; F311-W360 HydrophobicContact CE2-CH2 3.51Å; F311-W360 AromaticContact CE2-CZ2 3.27Å; F311-W360 HydrophobicContact CE2-CZ2 3.27Å; F311-W360 HydrophobicContact CZ-CZ2 4.43Å; L329-W360 HydrophobicContact CD1-CB 4.32Å; R356-W360 PolarHBondContact O-N 3.46Å; L357-W360 PolarHBondContact O-N 3.15Å; L357-W360 VanDerWaalsContact O-N 3.08Å; W360-S362 VanDerWaalsContact C-N 3.26Å; W360-S362 PolarHBondContact O-N 3.42Å; W360-M363 PolarHBondContact O-N 3.15Å; W360-M363 VanDerWaalsContact O-N 3.11Å; W360-L364 WeakPolarHBondContact O-CG 3.45Å; W360-L364 PolarHBondContact O-N 3.43Å; W360-L364 VanDerWaalsContact O-N 3.14Å
361I92.4Very high86.4Confident0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-56.8-44.7174.3-61.6168.3000110.1L329 L332 F338 F347 L357 S358 M363 L364 Q365 Y373 I426L329-I361 HydrophobicContact CD2-CD1 4.46Å; L329-I361 HydrophobicContact CD2-CG1 3.58Å; L332-I361 HydrophobicContact CD1-CD1 3.92Å; L332-I361 HydrophobicContact CD1-CG1 4.42Å; F338-I361 HydrophobicContact CE1-CG1 4.49Å; F338-I361 HydrophobicContact CE1-CG2 3.85Å; F347-I361 HydrophobicContact CD1-CD1 4.02Å; F347-I361 HydrophobicContact CD1-CG2 4.05Å; F347-I361 HydrophobicContact CD2-CG2 3.82Å; F347-I361 HydrophobicContact CE1-CD1 4.41Å; F347-I361 HydrophobicContact CE1-CG2 3.92Å; F347-I361 HydrophobicContact CE2-CG2 3.67Å; F347-I361 HydrophobicContact CG-CG2 4Å; F347-I361 HydrophobicContact CZ-CG2 3.73Å; L357-I361 HydrophobicContact CD1-CD1 4.41Å; L357-I361 HydrophobicContact CG-CD1 4.13Å; L357-I361 WeakPolarHBondContact O-CG1 3.38Å; L357-I361 PolarHBondContact O-N 3.25Å; S358-I361 PolarHBondContact O-N 2.97Å; I361-M363 PolarHBondContact O-N 2.7Å; I361-L364 PolarHBondContact O-N 2.82Å; I361-L364 VanDerWaalsContact O-N 3.15Å; I361-Q365 HydrophobicContact CG2-CG 4.25Å; I361-Q365 WeakPolarHBondContact O-CB 3.13Å; I361-Q365 VanDerWaalsContact O-CG 3.31Å; I361-Q365 WeakPolarHBondContact O-CG 3.38Å; I361-Q365 PolarHBondContact O-N 2.76Å; I361-Y373 HydrophobicContact CB-CE1 4.36Å; I361-Y373 HydrophobicContact CG2-CE1 3.88Å; I361-I426 HydrophobicContact CD1-CD1 3.28Å
362S92.4Very high86.4Confident0 Ų036.3 Ų36.30%020%0.203CC..Hα-helixtrans-64.1-27.9179.876.80000114.8S358 Y359 W360 S366 Y373S358-S362 WeakPolarHBondContact O-CB 3.45Å; S358-S362 PolarHBondContact O-N 2.72Å; S358-S362 PolarHBondContact O-OG 3.19Å; Y359-S362 PolarHBondContact O-N 2.82Å; Y359-S362 PolarHBondContact O-OG 2.86Å; W360-S362 VanDerWaalsContact C-N 3.26Å; W360-S362 PolarHBondContact O-N 3.42Å; S362-S366 WeakPolarHBondContact O-CA 3.47Å; S362-S366 WeakPolarHBondContact O-CB 3.45Å; S362-S366 PolarHBondContact O-N 2.99Å; S362-Y373 WeakPolarHBondContact CA-OH 3.3Å
363M86.2Confident86.5Confident22 Ų2236 Ų3611%0.10820%0.2CC..Hα-helixtrans-76.4-34.8176.2-63.9-77.573.900112.1K310 Y359 W360 I361 Q365 S366 D392 V394K310-M363 PolarHBondContact NZ-SD 3.15Å; Y359-M363 HydrophobicContact CD1-CG 4.49Å; Y359-M363 HydrophobicContact CD2-CG 4.44Å; Y359-M363 HydrophobicContact CE1-CG 4.07Å; Y359-M363 HydrophobicContact CE2-CG 4.02Å; Y359-M363 HydrophobicContact CE2-SD 4.02Å; Y359-M363 VanDerWaalsContact O-CG 3.26Å; Y359-M363 WeakPolarHBondContact O-CG 2.98Å; Y359-M363 PolarHBondContact O-N 2.91Å; Y359-M363 VanDerWaalsContact O-N 3.08Å; W360-M363 PolarHBondContact O-N 3.15Å; W360-M363 VanDerWaalsContact O-N 3.11Å; I361-M363 PolarHBondContact O-N 2.7Å; M363-Q365 VanDerWaalsContact C-N 3.27Å; M363-S366 PolarHBondContact O-OG 2.85Å; M363-D392 HydrophobicContact CE-CB 4.01Å; M363-D392 HydrophobicContact SD-CB 3.77Å; M363-V394 HydrophobicContact CE-CG2 3.23Å
364L83Confident86.8Confident32 Ų3235 Ų3517%0.16819%0.19CC..Hα-helixtrans-71.8-28175.2-61174.3000111.6F300 E302 L306 L329 W360 I361F300-L364 HydrophobicContact CD1-CD1 3.97Å; F300-L364 HydrophobicContact CE1-CD1 3.31Å; F300-L364 HydrophobicContact CE1-CD2 3.59Å; F300-L364 HydrophobicContact CE1-CG 4.02Å; F300-L364 HydrophobicContact CZ-CD1 3.7Å; F300-L364 HydrophobicContact CZ-CD2 4.28Å; F300-L364 HydrophobicContact CZ-CG 4.47Å; E302-L364 HydrophobicContact CB-CD2 4.2Å; L306-L364 HydrophobicContact CD1-CD2 4Å; L329-L364 HydrophobicContact CD1-CD1 4.02Å; L329-L364 HydrophobicContact CD2-CD1 4.18Å; W360-L364 WeakPolarHBondContact O-CG 3.45Å; W360-L364 PolarHBondContact O-N 3.43Å; W360-L364 VanDerWaalsContact O-N 3.14Å; I361-L364 PolarHBondContact O-N 2.82Å; I361-L364 VanDerWaalsContact O-N 3.15Å
365Q82Confident87.1Confident12 Ų1229 Ų296%0.05617%0.167CC..THydrogen-bonded Turntrans-104.911.9-176.9-58.1-65-57.800112.9F338 I361 M363 G367 L368 H371F338-Q365 HydrophobicContact CD1-CG 4.44Å; I361-Q365 HydrophobicContact CG2-CG 4.25Å; I361-Q365 WeakPolarHBondContact O-CB 3.13Å; I361-Q365 VanDerWaalsContact O-CG 3.31Å; I361-Q365 WeakPolarHBondContact O-CG 3.38Å; I361-Q365 PolarHBondContact O-N 2.76Å; M363-Q365 VanDerWaalsContact C-N 3.27Å; Q365-G367 PolarHBondContact O-N 3.09Å; Q365-L368 PolarHBondContact O-N 2.92Å; Q365-H371 PolarHBondContact OE1-CE1 2.86Å; Q365-H371 PolarHBondContact OE1-NE2 3.05Å
366S70Confident87.4Confident70 Ų7029 Ų2949%0.4917%0.167SC..THydrogen-bonded Turntrans-64.4-17.2-169.958.50000114.2S362 M363S362-S366 WeakPolarHBondContact O-CA 3.47Å; S362-S366 WeakPolarHBondContact O-CB 3.45Å; S362-S366 PolarHBondContact O-N 2.99Å; M363-S366 PolarHBondContact O-OG 2.85Å
367G67.2Low87.5Confident75 Ų7525.1 Ų25.177%0.77315%0.152SC*.THydrogen-bonded Turntrans-87.6-8.6173.600000115.1Q365Q365-G367 PolarHBondContact O-N 3.09Å
368L71.7Confident87.4Confident39 Ų3929.6 Ų29.620%0.20417%0.172CC..  trans-104.9122.2-169.4-63.3169000110.6D340 Q365 R370 H371 K398D340-L368 HydrophobicContact CB-CD2 4.42Å; D340-L368 WeakPolarHBondContact OD2-CD2 3.2Å; Q365-L368 PolarHBondContact O-N 2.92Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.01Å; L368-H371 VanDerWaalsContact CB-CE1 3.49Å; L368-H371 WeakPolarHBondContact CB-CE1 3.38Å; L368-H371 VanDerWaalsContact CB-ND1 3.27Å; L368-H371 WeakPolarHBondContact CB-ND1 3.35Å; L368-K398 PolarHBondContact O-NZ 3.04Å
369S69.5Low86.8Confident99 Ų9933.3 Ų33.369%0.69220%0.198SC*.THydrogen-bonded Turntrans-73.2-23.9-17256.70000113.8H371S369-H371 PolarHBondContact O-N 3.42Å
370R87.8Confident86Confident144 Ų14435.7 Ų35.754%0.54322%0.222SC..THydrogen-bonded Turntrans-10038.4-168.2-60-172.3176174.21114.3G342 E344 T345 L368G342-R370 WeakPolarHBondContact O-CD 3.27Å; G342-R370 PolarHBondContact O-NH1 3.44Å; E344-R370 WeakPolarHBondContact CA-O 3.48Å; T345-R370 PolarHBondContact N-O 3.3Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.01Å
371H92Very high85.5Confident8 Ų837.6 Ų37.64%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-125.3137.2-179.9-64.793.4000112.4T345 F347 Q365 L368 S369 K398T345-H371 WeakPolarHBondContact O-CA 3.15Å; F347-H371 AromaticContact CE2-CD2 3.75Å; Q365-H371 PolarHBondContact OE1-CE1 2.86Å; Q365-H371 PolarHBondContact OE1-NE2 3.05Å; L368-H371 VanDerWaalsContact CB-CE1 3.49Å; L368-H371 WeakPolarHBondContact CB-CE1 3.38Å; L368-H371 VanDerWaalsContact CB-ND1 3.27Å; L368-H371 WeakPolarHBondContact CB-ND1 3.35Å; S369-H371 PolarHBondContact O-N 3.42Å; H371-K398 VanDerWaalsContact O-CD 3.32Å; H371-K398 WeakPolarHBondContact O-CD 3.5Å; H371-K398 WeakPolarHBondContact O-CG 3.48Å
372S94.7Very high84.9Confident5 Ų547.2 Ų47.24%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-131.1160.4172.467.10000111.5T345 C346 F347 K398T345-S372 PolarHBondContact O-N 3.46Å; C346-S372 WeakPolarHBondContact CA-O 3.47Å; C346-S372 WeakPolarHBondContact CB-OG 3.47Å; C346-S372 PolarHBondContact SG-OG 3.43Å; C346-S372 VanDerWaalsContact SG-OG 3.39Å; F347-S372 PolarHBondContact N-O 3.26Å; S372-K398 CarbonylContact C-O 3.54Å; S372-K398 WeakPolarHBondContact CA-O 3.44Å
373Y96.3Very high84.4Confident1 Ų155.8 Ų55.80%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-133.5113.3-174.1-49.4-80.1000109.5F347 I361 S362 K398 F399 T400F347-Y373 HydrophobicContact CB-CD1 3.91Å; F347-Y373 HydrophobicContact CB-CE1 4.4Å; F347-Y373 HydrophobicContact CD2-CD1 4.08Å; F347-Y373 AromaticContact CD2-CE1 3.72Å; F347-Y373 HydrophobicContact CD2-CE1 3.72Å; F347-Y373 HydrophobicContact CE2-CE1 4.43Å; F347-Y373 HydrophobicContact CG-CD1 4.35Å; F347-Y373 HydrophobicContact CG-CE1 4.35Å; F347-Y373 CarbonylContact O-C 3.58Å; F347-Y373 WeakPolarHBondContact O-CA 3.33Å; I361-Y373 HydrophobicContact CB-CE1 4.36Å; I361-Y373 HydrophobicContact CG2-CE1 3.88Å; S362-Y373 WeakPolarHBondContact CA-OH 3.3Å; Y373-K398 HydrophobicContact CD2-CB 3.97Å; Y373-K398 HydrophobicContact CE2-CB 4.05Å; Y373-K398 HydrophobicContact CE2-CD 4.43Å; Y373-K398 PolarHBondContact N-O 2.64Å; Y373-F399 AromaticContact CD2-CD1 3.98Å; Y373-F399 HydrophobicContact CD2-CD1 3.98Å; Y373-F399 HydrophobicContact CD2-CD2 4.36Å; Y373-F399 AromaticContact CD2-CE1 3.69Å; Y373-F399 HydrophobicContact CD2-CE1 3.69Å; Y373-F399 HydrophobicContact CD2-CE2 4.11Å; Y373-F399 HydrophobicContact CD2-CG 4.31Å; Y373-F399 AromaticContact CD2-CZ 3.77Å; Y373-F399 HydrophobicContact CD2-CZ 3.77Å; Y373-F399 HydrophobicContact CE2-CZ 4.3Å; Y373-F399 AromaticContact CG-CD1 3.99Å; Y373-F399 HydrophobicContact CG-CD1 3.99Å; Y373-F399 AromaticContact CG-CE1 3.67Å; Y373-F399 HydrophobicContact CG-CE1 3.67Å; Y373-F399 HydrophobicContact CG-CZ 4.17Å; Y373-F399 WeakPolarHBondContact O-CA 3.42Å; Y373-T400 PolarHBondContact O-N 3.46Å
374V97.3Very high84.5Confident0 Ų057.6 Ų57.60%031%0.312CS..EExtended strand (participates in β ladder)trans-106.1116.1175.9175.30000108.9C346 F347 L348 E349 V376 T400 I402 V414 Q416 V417C346-V374 VanDerWaalsContact SG-CG2 3.55Å; F347-V374 PolarHBondContact O-N 3.09Å; L348-V374 CarbonylContact C-O 3.53Å; L348-V374 WeakPolarHBondContact CA-O 3.34Å; L348-V374 HydrophobicContact CD1-CB 3.96Å; L348-V374 HydrophobicContact CD1-CG1 3.62Å; E349-V374 PolarHBondContact N-O 3.07Å; V374-V376 HydrophobicContact CG1-CG2 4.38Å; V374-T400 CarbonylContact C-O 3.55Å; V374-T400 WeakPolarHBondContact CA-O 3.27Å; V374-I402 HydrophobicContact CG1-CD1 3.74Å; V374-I402 HydrophobicContact CG1-CG1 4.31Å; V374-V414 HydrophobicContact CG1-CG1 4.13Å; V374-V414 HydrophobicContact CG2-CG1 4.37Å; V374-Q416 HydrophobicContact CG2-CB 3.8Å; V374-V417 HydrophobicContact CB-CG2 4.27Å; V374-V417 HydrophobicContact CG1-CG2 4.24Å; V374-V417 HydrophobicContact CG2-CG2 3.98Å
375L97Very high84.9Confident1 Ų157 Ų571%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-108112-175.8-71.481.5000109.4A352 F399 T400 R401 I402A352-L375 HydrophobicContact CB-CB 3.68Å; A352-L375 HydrophobicContact CB-CD2 3.95Å; A352-L375 HydrophobicContact CB-CG 3.95Å; L375-F399 HydrophobicContact CD1-CD1 3.71Å; L375-F399 HydrophobicContact CD1-CE1 4.3Å; L375-T400 PolarHBondContact N-O 2.88Å; L375-R401 HydrophobicContact CB-CB 4.43Å; L375-R401 HydrophobicContact CB-CG 4.25Å; L375-R401 CarbonylContact O-C 3.49Å; L375-R401 WeakPolarHBondContact O-CA 3.44Å; L375-I402 PolarHBondContact O-N 3.36Å
376V96.4Very high85.4Confident0 Ų057.4 Ų57.40%031%0.31CS..EExtended strand (participates in β ladder)trans-98.1128.2-179.5-178.40000110.1L348 E349 F350 G351 A352 V374 I402 I406 L409L348-V376 HydrophobicContact CD1-CG2 3.74Å; E349-V376 PolarHBondContact O-N 3.42Å; F350-V376 HydrophobicContact CD1-CB 4.43Å; G351-V376 CarbonylContact C-O 3.6Å; G351-V376 WeakPolarHBondContact CA-O 3.41Å; G351-V376 PolarHBondContact N-O 3.45Å; A352-V376 PolarHBondContact N-O 2.88Å; V374-V376 HydrophobicContact CG1-CG2 4.38Å; V376-I402 HydrophobicContact CG2-CB 4.46Å; V376-I406 HydrophobicContact CG1-CG1 4.03Å; V376-L409 HydrophobicContact CB-CD2 4.47Å; V376-L409 HydrophobicContact CG1-CD2 3.89Å; V376-L409 HydrophobicContact CG2-CD2 3.76Å
377E92.8Very high86.4Confident7 Ų758.5 Ų58.53%0.03331%0.31CS..EExtended strand (participates in β ladder)trans-147.6150.7173.171.1-177.3160.500113.6G353 V381 R401 I402 Q403 S404G353-E377 WeakPolarHBondContact CA-OE2 3.49Å; E377-V381 WeakPolarHBondContact OE2-CG2 3.25Å; E377-R401 VanDerWaalsContact OE1-CD 3.28Å; E377-R401 WeakPolarHBondContact OE1-CD 3.45Å; E377-R401 IonicContact OE1-CZ 3.78Å; E377-R401 IonicContact OE1-NE 3.93Å; E377-R401 IonicContact OE1-NH1 2.69Å; E377-R401 PolarHBondContact OE1-NH1 3.28Å; E377-R401 IonicContact OE2-NH1 2.71Å; E377-R401 PolarHBondContact OE2-NH1 3Å; E377-I402 PolarHBondContact N-O 3.12Å; E377-Q403 CarbonylContact O-C 3.56Å; E377-Q403 WeakPolarHBondContact O-CA 3.43Å; E377-S404 CarbonylContact C-O 3.55Å; E377-S404 PolarHBondContact O-N 3.5Å
378K88.6Confident87.5Confident97 Ų9758 Ų5842%0.42229%0.287SS..SBendtrans-77.2-27.9178.9-174161.4-174.5157.90113.7P405 E407K378-P405 HydrophobicContact CD-CB 4.08Å; K378-P405 HydrophobicContact CD-CG 4.34Å; K378-P405 HydrophobicContact CG-CB 4.22Å; K378-P405 HydrophobicContact CG-CG 4.09Å; K378-E407 IonicContact NZ-OE1 3.27Å; K378-E407 PolarHBondContact NZ-OE1 2.92Å
379S81.7Confident88.4Confident78 Ų7856.2 Ų56.255%0.54528%0.277SS..SBendtrans-142.1139.5-171.158.70000111.1V381S379-V381 PolarHBondContact O-N 3.42Å
380G77.2Confident89.4Confident50 Ų5054 Ų5452%0.51526%0.257SS..PPolyproline II helixtrans-63.5125.5177.400000113
381V80.1Confident89.5Confident50 Ų5054.8 Ų54.830%0.30327%0.265SS..PPolyproline II helixtrans-102.9153.3174.1-136.30000111.6G353 R354 E377 S379 K384G353-V381 VanDerWaalsContact C-CG2 3.41Å; G353-V381 WeakPolarHBondContact O-CG2 3.49Å; R354-V381 HydrophobicContact CG-CG1 4.28Å; E377-V381 WeakPolarHBondContact OE2-CG2 3.25Å; S379-V381 PolarHBondContact O-N 3.42Å; V381-K384 WeakPolarHBondContact O-CE 3.3Å; V381-K384 WeakPolarHBondContact O-CG 3.38Å
382R78.1Confident89.3Confident201 Ų20156.4 Ų56.476%0.75827%0.273SS*.SBendtrans-84.9159.8169.2-57.4-174.2-168-176.62.6110.4
383Y82.1Confident89Confident181 Ų18164.6 Ų64.671%0.7131%0.311SS*.SBendtrans60.253.4177.4-48.9-73.9000113.2
384K89.8Confident88.6Confident59 Ų5964.9 Ų64.926%0.25731%0.313SS..  trans-72.3128.6179.8-53.5-175.4173.7-176.30110.7V381 E386 N387V381-K384 WeakPolarHBondContact O-CE 3.3Å; V381-K384 WeakPolarHBondContact O-CG 3.38Å; K384-E386 VanDerWaalsContact C-N 3.33Å; K384-E386 VanDerWaalsContact CB-CD 3.48Å; K384-E386 WeakPolarHBondContact CB-OE1 3.44Å; K384-E386 WeakPolarHBondContact CB-OE2 3.36Å; K384-E386 VanDerWaalsContact CD-OE1 3.23Å; K384-E386 WeakPolarHBondContact CD-OE1 3.24Å; K384-E386 PolarHBondContact O-N 3.02Å; K384-N387 PolarHBondContact O-N 3.46Å
385F90.4Very high88.3Confident21 Ų2171.1 Ų71.19%0.09234%0.342CS..THydrogen-bonded Turntrans-76.3-17.4-172.3-87.9-114.4000113.1F311 R354 G355 R356 Y359 N387 K388 A389F311-F385 AromaticContact CE1-CE1 3.97Å; F311-F385 HydrophobicContact CE1-CE1 3.97Å; F311-F385 AromaticContact CZ-CE1 3.8Å; F311-F385 HydrophobicContact CZ-CE1 3.8Å; R354-F385 HydrophobicContact CB-CD2 4.03Å; R354-F385 HydrophobicContact CB-CE2 4.38Å; R354-F385 WeakPolarHBondContact O-CB 3.43Å; R354-F385 PolarHBondContact O-N 2.99Å; G355-F385 WeakPolarHBondContact O-CB 3.4Å; R356-F385 HydrophobicContact CG-CD1 3.82Å; R356-F385 HydrophobicContact CG-CD2 3.9Å; R356-F385 HydrophobicContact CG-CE1 3.68Å; R356-F385 HydrophobicContact CG-CE2 3.76Å; R356-F385 HydrophobicContact CG-CG 3.94Å; R356-F385 HydrophobicContact CG-CZ 3.67Å; Y359-F385 AromaticContact CD1-CD1 3.95Å; Y359-F385 HydrophobicContact CD1-CD1 3.95Å; Y359-F385 HydrophobicContact CD2-CB 4.32Å; Y359-F385 HydrophobicContact CD2-CD1 4.18Å; Y359-F385 HydrophobicContact CE1-CD1 4.47Å; Y359-F385 HydrophobicContact CG-CB 4.13Å; Y359-F385 AromaticContact CG-CD1 3.81Å; Y359-F385 HydrophobicContact CG-CD1 3.81Å; Y359-F385 HydrophobicContact CG-CG 4.48Å; F385-N387 PolarHBondContact O-N 2.72Å; F385-K388 HydrophobicContact CD1-CD 4.42Å; F385-K388 HydrophobicContact CE1-CD 4.46Å; F385-K388 CarbonylContact O-C 3.6Å; F385-K388 WeakPolarHBondContact O-CA 3.45Å; F385-K388 VanDerWaalsContact O-CB 3.32Å; F385-K388 WeakPolarHBondContact O-CB 3.35Å; F385-K388 PolarHBondContact O-N 2.96Å; F385-A389 PolarHBondContact O-N 3.08Å
386E92.4Very high87.8Confident19 Ų1978.6 Ų78.69%0.08937%0.374CS..Hα-helixtrans-60.6-33.8170.464-88.5-159.900111.7K384 K388 A389 I390 F399 R401K384-E386 VanDerWaalsContact C-N 3.33Å; K384-E386 VanDerWaalsContact CB-CD 3.48Å; K384-E386 WeakPolarHBondContact CB-OE1 3.44Å; K384-E386 WeakPolarHBondContact CB-OE2 3.36Å; K384-E386 VanDerWaalsContact CD-OE1 3.23Å; K384-E386 WeakPolarHBondContact CD-OE1 3.24Å; K384-E386 PolarHBondContact O-N 3.02Å; E386-K388 PolarHBondContact O-N 3.32Å; E386-A389 PolarHBondContact O-N 3.42Å; E386-I390 WeakPolarHBondContact O-CB 3.49Å; E386-I390 WeakPolarHBondContact O-CD1 3.23Å; E386-I390 WeakPolarHBondContact O-CG1 3.47Å; E386-I390 PolarHBondContact O-N 3.41Å; E386-F399 HydrophobicContact CB-CB 4.17Å; E386-F399 HydrophobicContact CB-CD1 3.73Å; E386-F399 HydrophobicContact CB-CD2 4.09Å; E386-F399 HydrophobicContact CB-CE1 4.08Å; E386-F399 HydrophobicContact CB-CE2 4.39Å; E386-F399 HydrophobicContact CB-CG 3.74Å; E386-F399 HydrophobicContact CB-CZ 4.39Å; E386-R401 IonicContact OE1-CZ 3.27Å; E386-R401 IonicContact OE1-NE 3.01Å; E386-R401 PolarHBondContact OE1-NE 3.46Å; E386-R401 IonicContact OE1-NH2 3.21Å; E386-R401 IonicContact OE2-CZ 3.8Å; E386-R401 IonicContact OE2-NE 3.27Å; E386-R401 IonicContact OE2-NH2 2.66Å; E386-R401 PolarHBondContact OE2-NH2 3.31Å
387N91.5Very high87.5Confident93 Ų9381.6 Ų81.650%0.49741%0.405SS..Hα-helixtrans-65.2-28.4173.6-67.1-36.4000111.9K384 F385 K391K384-N387 PolarHBondContact O-N 3.46Å; F385-N387 PolarHBondContact O-N 2.72Å; N387-K391 VanDerWaalsContact O-CG 3.32Å; N387-K391 WeakPolarHBondContact O-CG 3.14Å; N387-K391 PolarHBondContact O-N 3.23Å
388K90.4Very high87.4Confident66 Ų6682.2 Ų82.229%0.28741%0.408SS..Hα-helixtrans-76.7-44.9173.3-171.9-179.7169.3610110.3F311 Y359 F385 E386 I390 K391 D392F311-K388 HydrophobicContact CE1-CD 4.08Å; F311-K388 HydrophobicContact CZ-CD 3.98Å; Y359-K388 HydrophobicContact CD2-CB 4.35Å; Y359-K388 HydrophobicContact CE2-CB 4.1Å; Y359-K388 HydrophobicContact CE2-CD 3.93Å; Y359-K388 HydrophobicContact CE2-CG 3.83Å; Y359-K388 WeakPolarHBondContact OH-CE 3.27Å; F385-K388 HydrophobicContact CD1-CD 4.42Å; F385-K388 HydrophobicContact CE1-CD 4.46Å; F385-K388 CarbonylContact O-C 3.6Å; F385-K388 WeakPolarHBondContact O-CA 3.45Å; F385-K388 VanDerWaalsContact O-CB 3.32Å; F385-K388 WeakPolarHBondContact O-CB 3.35Å; F385-K388 PolarHBondContact O-N 2.96Å; E386-K388 PolarHBondContact O-N 3.32Å; K388-I390 PolarHBondContact O-N 2.89Å; K388-K391 CarbonylContact O-C 3.51Å; K388-K391 WeakPolarHBondContact O-CB 3.27Å; K388-K391 PolarHBondContact O-N 3.26Å; K388-K391 VanDerWaalsContact O-N 3.08Å; K388-D392 IonicContact NZ-OD2 2.76Å; K388-D392 WeakPolarHBondContact O-CB 3.33Å; K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 3.35Å
389A91Very high87.7Confident0 Ų078.8 Ų78.80%039%0.393CS..Hα-helixtrans-54.3-43.4174.200000111.4Y359 F385 E386 K391 D392 H393 V394 F399Y359-A389 HydrophobicContact CD2-CB 3.85Å; Y359-A389 HydrophobicContact CE2-CB 4.4Å; F385-A389 PolarHBondContact O-N 3.08Å; E386-A389 PolarHBondContact O-N 3.42Å; A389-K391 PolarHBondContact O-N 3.45Å; A389-D392 CarbonylContact O-C 3.57Å; A389-D392 WeakPolarHBondContact O-CA 3.32Å; A389-D392 PolarHBondContact O-N 3.29Å; A389-D392 VanDerWaalsContact O-N 3.08Å; A389-H393 PolarHBondContact O-N 3.23Å; A389-V394 HydrophobicContact CB-CB 4.12Å; A389-V394 HydrophobicContact CB-CG2 4.04Å; A389-V394 WeakPolarHBondContact O-CB 3.31Å; A389-V394 PolarHBondContact O-N 2.9Å; A389-F399 HydrophobicContact CB-CE2 3.63Å; A389-F399 HydrophobicContact CB-CZ 3.67Å
390I90.3Very high88.3Confident52 Ų5277.3 Ų77.327%0.26738%0.381SS..Hα-helixtrans-63.9-40.9177.6-66159.7000112.1E386 K388 D392 H393 V394 K396E386-I390 WeakPolarHBondContact O-CB 3.49Å; E386-I390 WeakPolarHBondContact O-CD1 3.23Å; E386-I390 WeakPolarHBondContact O-CG1 3.47Å; E386-I390 PolarHBondContact O-N 3.41Å; K388-I390 PolarHBondContact O-N 2.89Å; I390-D392 PolarHBondContact O-N 3.24Å; I390-H393 PolarHBondContact O-N 3.09Å; I390-V394 WeakPolarHBondContact CA-O 3.19Å; I390-K396 HydrophobicContact CD1-CB 3.84Å; I390-K396 HydrophobicContact CD1-CD 4.37Å; I390-K396 HydrophobicContact CD1-CG 3.71Å; I390-K396 HydrophobicContact CG1-CB 4.05Å; I390-K396 HydrophobicContact CG1-CG 4.47Å; I390-K396 HydrophobicContact CG2-CB 4.37Å
391K90.6Very high89.1Confident162 Ų16277.3 Ų77.370%0.70437%0.365SS*.Hα-helixtrans-65.3-32.5173-75.1177.7-179.9-168.50112.1N387 K388 A389 H393N387-K391 VanDerWaalsContact O-CG 3.32Å; N387-K391 WeakPolarHBondContact O-CG 3.14Å; N387-K391 PolarHBondContact O-N 3.23Å; K388-K391 CarbonylContact O-C 3.51Å; K388-K391 WeakPolarHBondContact O-CB 3.27Å; K388-K391 PolarHBondContact O-N 3.26Å; K388-K391 VanDerWaalsContact O-N 3.08Å; A389-K391 PolarHBondContact O-N 3.45Å; K391-H393 PolarHBondContact O-N 3Å
392D87.4Confident89.8Confident41 Ų4175 Ų7522%0.21935%0.351CS..THydrogen-bonded Turntrans-88.230.6176.4-58.9-13.1000111.1K310 Y359 M363 K388 A389 I390 V394K310-D392 VanDerWaalsContact NZ-CG 3.32Å; K310-D392 IonicContact NZ-OD2 2.66Å; K310-D392 PolarHBondContact NZ-OD2 2.93Å; Y359-D392 PolarHBondContact OH-OD2 3.35Å; Y359-D392 VanDerWaalsContact OH-OD2 3.1Å; M363-D392 HydrophobicContact CE-CB 4.01Å; M363-D392 HydrophobicContact SD-CB 3.77Å; K388-D392 IonicContact NZ-OD2 2.76Å; K388-D392 WeakPolarHBondContact O-CB 3.33Å; K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 3.35Å; A389-D392 CarbonylContact O-C 3.57Å; A389-D392 WeakPolarHBondContact O-CA 3.32Å; A389-D392 PolarHBondContact O-N 3.29Å; A389-D392 VanDerWaalsContact O-N 3.08Å; I390-D392 PolarHBondContact O-N 3.24Å; D392-V394 PolarHBondContact O-N 2.75Å
393H87.9Confident90.4Very high178 Ų17870.9 Ų70.982%0.82434%0.34SS*.THydrogen-bonded Turntrans70.615.5171-49.5-69.5000117.9A389 I390 K391A389-H393 PolarHBondContact O-N 3.23Å; I390-H393 PolarHBondContact O-N 3.09Å; K391-H393 PolarHBondContact O-N 3Å
394V88.8Confident90.9Very high7 Ų762.2 Ų62.24%0.04231%0.307CS..  trans-78.8134.5167.3-173.90000110.3M363 A389 I390 D392 K396 K398 F399M363-V394 HydrophobicContact CE-CG2 3.23Å; A389-V394 HydrophobicContact CB-CB 4.12Å; A389-V394 HydrophobicContact CB-CG2 4.04Å; A389-V394 WeakPolarHBondContact O-CB 3.31Å; A389-V394 PolarHBondContact O-N 2.9Å; I390-V394 WeakPolarHBondContact CA-O 3.19Å; D392-V394 PolarHBondContact O-N 2.75Å; V394-K396 PolarHBondContact O-N 2.98Å; V394-K398 HydrophobicContact CG1-CD 4.25Å; V394-F399 HydrophobicContact CB-CE2 4.17Å; V394-F399 HydrophobicContact CG1-CD2 4.38Å; V394-F399 HydrophobicContact CG1-CE2 3.62Å; V394-F399 HydrophobicContact CG1-CZ 4.44Å
395E89Confident91Very high131 Ų13160 Ų6061%0.61230%0.298SS*.  trans-59.2127.3176.2-69.7172.8-173.200111.9G397 K398E395-G397 PolarHBondContact O-N 3.16Å; E395-K398 HydrophobicContact CB-CD 4.32Å; E395-K398 HydrophobicContact CB-CG 4.14Å; E395-K398 WeakPolarHBondContact O-CB 3.27Å; E395-K398 PolarHBondContact O-N 3.19Å
396K88Confident91.2Very high158 Ų15859.4 Ų59.469%0.68730%0.296SS*.G310 helixtrans-56.1-35.1179.4179.2176179.2-170.50113.1I390 V394 K398 F399I390-K396 HydrophobicContact CD1-CB 3.84Å; I390-K396 HydrophobicContact CD1-CD 4.37Å; I390-K396 HydrophobicContact CD1-CG 3.71Å; I390-K396 HydrophobicContact CG1-CB 4.05Å; I390-K396 HydrophobicContact CG1-CG 4.47Å; I390-K396 HydrophobicContact CG2-CB 4.37Å; V394-K396 PolarHBondContact O-N 2.98Å; K396-K398 PolarHBondContact O-N 3.39Å; K396-F399 PolarHBondContact O-N 2.81Å
397G88.8Confident91.2Very high63 Ų6359.3 Ų59.365%0.64930%0.295SS*.G310 helixtrans-63.8-17.9-179.800000114.3E395 F399 Q416E395-G397 PolarHBondContact O-N 3.16Å; G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 3.38Å; G397-Q416 PolarHBondContact O-NE2 3.1Å
398K92Very high91.3Very high20 Ų2055.6 Ų55.69%0.08728%0.275CS..G310 helixtrans-74.6-19.4178.5-66.7-173.9172.9-177.90113.3L368 H371 S372 Y373 V394 E395 K396L368-K398 PolarHBondContact O-NZ 3.04Å; H371-K398 VanDerWaalsContact O-CD 3.32Å; H371-K398 WeakPolarHBondContact O-CD 3.5Å; H371-K398 WeakPolarHBondContact O-CG 3.48Å; S372-K398 CarbonylContact C-O 3.54Å; S372-K398 WeakPolarHBondContact CA-O 3.44Å; Y373-K398 HydrophobicContact CD2-CB 3.97Å; Y373-K398 HydrophobicContact CE2-CB 4.05Å; Y373-K398 HydrophobicContact CE2-CD 4.43Å; Y373-K398 PolarHBondContact N-O 2.64Å; V394-K398 HydrophobicContact CG1-CD 4.25Å; E395-K398 HydrophobicContact CB-CD 4.32Å; E395-K398 HydrophobicContact CB-CG 4.14Å; E395-K398 WeakPolarHBondContact O-CB 3.27Å; E395-K398 PolarHBondContact O-N 3.19Å; K396-K398 PolarHBondContact O-N 3.39Å
399F94.3Very high91.6Very high25 Ų2552.5 Ų52.511%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-103.7124.1-178.2-71.7-82.8000112Y373 L375 E386 A389 V394 K396 G397Y373-F399 AromaticContact CD2-CD1 3.98Å; Y373-F399 HydrophobicContact CD2-CD1 3.98Å; Y373-F399 HydrophobicContact CD2-CD2 4.36Å; Y373-F399 AromaticContact CD2-CE1 3.69Å; Y373-F399 HydrophobicContact CD2-CE1 3.69Å; Y373-F399 HydrophobicContact CD2-CE2 4.11Å; Y373-F399 HydrophobicContact CD2-CG 4.31Å; Y373-F399 AromaticContact CD2-CZ 3.77Å; Y373-F399 HydrophobicContact CD2-CZ 3.77Å; Y373-F399 HydrophobicContact CE2-CZ 4.3Å; Y373-F399 AromaticContact CG-CD1 3.99Å; Y373-F399 HydrophobicContact CG-CD1 3.99Å; Y373-F399 AromaticContact CG-CE1 3.67Å; Y373-F399 HydrophobicContact CG-CE1 3.67Å; Y373-F399 HydrophobicContact CG-CZ 4.17Å; Y373-F399 WeakPolarHBondContact O-CA 3.42Å; L375-F399 HydrophobicContact CD1-CD1 3.71Å; L375-F399 HydrophobicContact CD1-CE1 4.3Å; E386-F399 HydrophobicContact CB-CB 4.17Å; E386-F399 HydrophobicContact CB-CD1 3.73Å; E386-F399 HydrophobicContact CB-CD2 4.09Å; E386-F399 HydrophobicContact CB-CE1 4.08Å; E386-F399 HydrophobicContact CB-CE2 4.39Å; E386-F399 HydrophobicContact CB-CG 3.74Å; E386-F399 HydrophobicContact CB-CZ 4.39Å; A389-F399 HydrophobicContact CB-CE2 3.63Å; A389-F399 HydrophobicContact CB-CZ 3.67Å; V394-F399 HydrophobicContact CB-CE2 4.17Å; V394-F399 HydrophobicContact CG1-CD2 4.38Å; V394-F399 HydrophobicContact CG1-CE2 3.62Å; V394-F399 HydrophobicContact CG1-CZ 4.44Å; K396-F399 PolarHBondContact O-N 2.81Å; G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 3.38Å
400T94.7Very high91.8Very high46 Ų4652.6 Ų52.628%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-118.1132.8163.9-64.60000109.6Y373 V374 L375 I402 Q416Y373-T400 PolarHBondContact O-N 3.46Å; V374-T400 CarbonylContact C-O 3.55Å; V374-T400 WeakPolarHBondContact CA-O 3.27Å; L375-T400 PolarHBondContact N-O 2.88Å; T400-I402 HydrophobicContact CG2-CG1 4.22Å; T400-Q416 PolarHBondContact OG1-NE2 2.95Å; T400-Q416 PolarHBondContact OG1-OE1 2.95Å
401R94Very high92.1Very high50 Ų5050.2 Ų50.219%0.18925%0.25CC..EExtended strand (participates in β ladder)trans-115.7121.3176.4-174.6175.5-85-86.22.1110.1G353 L375 E377 E386G353-R401 PolarHBondContact O-NH1 2.84Å; G353-R401 PolarHBondContact O-NH2 2.94Å; L375-R401 HydrophobicContact CB-CB 4.43Å; L375-R401 HydrophobicContact CB-CG 4.25Å; L375-R401 CarbonylContact O-C 3.49Å; L375-R401 WeakPolarHBondContact O-CA 3.44Å; E377-R401 VanDerWaalsContact OE1-CD 3.28Å; E377-R401 WeakPolarHBondContact OE1-CD 3.45Å; E377-R401 IonicContact OE1-CZ 3.78Å; E377-R401 IonicContact OE1-NE 3.93Å; E377-R401 IonicContact OE1-NH1 2.69Å; E377-R401 PolarHBondContact OE1-NH1 3.28Å; E377-R401 IonicContact OE2-NH1 2.71Å; E377-R401 PolarHBondContact OE2-NH1 3Å; E386-R401 IonicContact OE1-CZ 3.27Å; E386-R401 IonicContact OE1-NE 3.01Å; E386-R401 PolarHBondContact OE1-NE 3.46Å; E386-R401 IonicContact OE1-NH2 3.21Å; E386-R401 IonicContact OE2-CZ 3.8Å; E386-R401 IonicContact OE2-NE 3.27Å; E386-R401 IonicContact OE2-NH2 2.66Å; E386-R401 PolarHBondContact OE2-NH2 3.31Å
402I93.6Very high92.4Very high1 Ų142.7 Ų42.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-103.2114.6-178.4-61.8178.5000108.6W248 V374 L375 V376 E377 T400 S404 L409 V414W248-I402 HydrophobicContact CD2-CD1 4.47Å; W248-I402 HydrophobicContact CZ2-CG2 4.45Å; V374-I402 HydrophobicContact CG1-CD1 3.74Å; V374-I402 HydrophobicContact CG1-CG1 4.31Å; L375-I402 PolarHBondContact O-N 3.36Å; V376-I402 HydrophobicContact CG2-CB 4.46Å; E377-I402 PolarHBondContact N-O 3.12Å; T400-I402 HydrophobicContact CG2-CG1 4.22Å; I402-S404 PolarHBondContact O-N 3.21Å; I402-L409 HydrophobicContact CG2-CD1 4.17Å; I402-V414 HydrophobicContact CD1-CB 4.08Å; I402-V414 HydrophobicContact CD1-CG1 3.49Å; I402-V414 VanDerWaalsContact CD1-CG1 3.49Å; I402-V414 HydrophobicContact CD1-CG2 3.4Å
403Q91.2Very high92.8Very high115 Ų11542.7 Ų42.754%0.53722%0.218SC..EExtended strand (participates in β ladder)trans-88.978.6173.3-168.2179.1-36.200110L243 E377L243-Q403 WeakPolarHBondContact CD1-O 3.23Å; E377-Q403 CarbonylContact O-C 3.56Å; E377-Q403 WeakPolarHBondContact O-CA 3.43Å
404S91.9Very high93.1Very high0 Ų034.2 Ų34.20%018%0.179CC..  trans-138.5138.7179.1-170.30000111.1E377 I402E377-S404 CarbonylContact C-O 3.55Å; E377-S404 PolarHBondContact O-N 3.5Å; I402-S404 PolarHBondContact O-N 3.21Å
405P92Very high93.3Very high12 Ų1237.4 Ų37.48%0.07820%0.2CC..  trans-58.2135162.3-14.528000110.5L243 K378 E407 H408L243-P405 HydrophobicContact CD2-CG 4.41Å; K378-P405 HydrophobicContact CD-CB 4.08Å; K378-P405 HydrophobicContact CD-CG 4.34Å; K378-P405 HydrophobicContact CG-CB 4.22Å; K378-P405 HydrophobicContact CG-CG 4.09Å; P405-E407 HydrophobicContact CB-CG 3.84Å; P405-E407 WeakPolarHBondContact CB-OE1 3.35Å; P405-E407 WeakPolarHBondContact CB-OE2 3.16Å; P405-E407 PolarHBondContact O-N 2.89Å; P405-H408 PolarHBondContact O-N 2.79Å
406I95.6Very high93.5Very high9 Ų932.9 Ų32.95%0.04618%0.179CC..G310 helixtrans-63.9-32.4-174.9-57.6170.4000110.6N254 F350 V376 H408 L409 L430 A437 A438 C441N254-I406 PolarHBondContact ND2-O 3.07Å; F350-I406 HydrophobicContact CB-CD1 4.09Å; F350-I406 HydrophobicContact CD1-CD1 3.8Å; F350-I406 HydrophobicContact CD1-CG1 4.03Å; F350-I406 HydrophobicContact CD1-CG2 3.97Å; F350-I406 HydrophobicContact CE1-CG2 3.93Å; F350-I406 HydrophobicContact CG-CD1 4.37Å; V376-I406 HydrophobicContact CG1-CG1 4.03Å; I406-H408 PolarHBondContact O-N 3.17Å; I406-L409 PolarHBondContact O-N 2.87Å; I406-L409 VanDerWaalsContact O-N 3.11Å; I406-L430 HydrophobicContact CD1-CD1 4.05Å; I406-L430 HydrophobicContact CD1-CD2 4.03Å; I406-A437 HydrophobicContact CB-CB 4.34Å; I406-A437 HydrophobicContact CG2-CB 4.14Å; I406-A438 HydrophobicContact CD1-CB 4.36Å; I406-A438 HydrophobicContact CG2-CB 4.08Å; I406-C441 HydrophobicContact CG2-CB 4.25Å
407E93.1Very high93.9Very high16 Ų1625.3 Ų25.38%0.07515%0.146CC..G310 helixtrans-55.9-16.2175.158.2-96.9-13900114.1N252 V253 N254 L255 I262 K378 P405 A437N252-E407 CarbonylContact C-O 3.19Å; N252-E407 VanDerWaalsContact CA-O 3.22Å; N252-E407 WeakPolarHBondContact CA-O 3.46Å; V253-E407 PolarHBondContact N-O 3.47Å; V253-E407 VanDerWaalsContact N-O 3.09Å; N254-E407 PolarHBondContact N-O 3.29Å; L255-E407 HydrophobicContact CD2-CB 3.9Å; L255-E407 HydrophobicContact CG-CB 4.35Å; I262-E407 HydrophobicContact CD1-CB 3.99Å; I262-E407 HydrophobicContact CD1-CG 3.6Å; K378-E407 IonicContact NZ-OE1 3.27Å; K378-E407 PolarHBondContact NZ-OE1 2.92Å; P405-E407 HydrophobicContact CB-CG 3.84Å; P405-E407 WeakPolarHBondContact CB-OE1 3.35Å; P405-E407 WeakPolarHBondContact CB-OE2 3.16Å; P405-E407 PolarHBondContact O-N 2.89Å; E407-A437 HydrophobicContact CB-CB 4.4Å
408H93Very high94.2Very high16 Ų1629.1 Ų29.17%0.07414%0.141CC..G310 helixtrans-116.32.6-178.6-48.7-35.1000114.3Y249 R250 Y251 N252 P405 I406Y249-H408 HydrophobicContact CD2-CB 3.76Å; Y249-H408 HydrophobicContact CE2-CB 3.54Å; Y249-H408 AromaticContact CE2-CD2 3.5Å; Y249-H408 AromaticContact CE2-CG 3.72Å; Y249-H408 AromaticContact CZ-CD2 3.96Å; R250-H408 PolarHBondContact N-O 3.08Å; R250-H408 CarbonylContact O-C 3.4Å; R250-H408 WeakPolarHBondContact O-CA 3.38Å; R250-H408 VanDerWaalsContact O-O 3.09Å; Y251-H408 AromaticContact CD2-CE1 3.58Å; Y251-H408 AromaticContact CD2-ND1 3.88Å; Y251-H408 AromaticContact CE2-CE1 3.59Å; N252-H408 PolarHBondContact N-ND1 2.8Å; N252-H408 PolarHBondContact OD1-CE1 2.64Å; N252-H408 PolarHBondContact OD1-ND1 2.91Å; P405-H408 PolarHBondContact O-N 2.79Å; I406-H408 PolarHBondContact O-N 3.17Å
409L95.7Very high94.2Very high0 Ų032.3 Ų32.30%016%0.162CC..BIsolated β-bridgetrans-87.3128.2-168.9-17667.7000112.6W248 N254 F350 V376 I402 I406 L411 V414W248-L409 HydrophobicContact CB-CD1 4.01Å; W248-L409 HydrophobicContact CG-CD1 4.06Å; W248-L409 WeakPolarHBondContact O-CA 3.25Å; N254-L409 PolarHBondContact ND2-O 3.35Å; F350-L409 HydrophobicContact CE1-CD2 4.17Å; V376-L409 HydrophobicContact CB-CD2 4.47Å; V376-L409 HydrophobicContact CG1-CD2 3.89Å; V376-L409 HydrophobicContact CG2-CD2 3.76Å; I402-L409 HydrophobicContact CG2-CD1 4.17Å; I406-L409 PolarHBondContact O-N 2.87Å; I406-L409 VanDerWaalsContact O-N 3.11Å; L409-L411 HydrophobicContact CD2-CD2 3.64Å; L409-L411 HydrophobicContact CG-CD2 4.12Å; L409-V414 HydrophobicContact CD1-CG2 4.16Å
410V96.6Very high94.2Very high3 Ų331.2 Ų31.22%0.01816%0.158CC..  trans-104.4114169.1-175.80000108.5W248 R250 V253 D413 D448W248-V410 PolarHBondContact O-N 3.01Å; R250-V410 HydrophobicContact CB-CG2 3.59Å; V253-V410 HydrophobicContact CG1-CG2 4.01Å; V253-V410 HydrophobicContact CG2-CG2 4.39Å; V410-D413 HydrophobicContact CB-CB 4.17Å; V410-D413 HydrophobicContact CG1-CB 4.15Å; V410-D413 WeakPolarHBondContact CG1-OD2 3.35Å; V410-D413 PolarHBondContact O-N 2.91Å; V410-D448 WeakPolarHBondContact CG1-OD2 3.41Å
411L96.4Very high94.1Very high1 Ų132.5 Ų32.51%0.00517%0.169CC..G310 helixtrans-70.9-39.9-171.3-71.5-179.5000112.5L348 F350 L409 D413 V414 V417 C441 D448 V450L348-L411 HydrophobicContact CD1-CD2 4.26Å; L348-L411 HydrophobicContact CD2-CD1 3.78Å; L348-L411 HydrophobicContact CD2-CD2 3.54Å; L348-L411 HydrophobicContact CD2-CG 4.31Å; F350-L411 HydrophobicContact CZ-CD1 4.26Å; F350-L411 HydrophobicContact CZ-CD2 4.31Å; L409-L411 HydrophobicContact CD2-CD2 3.64Å; L409-L411 HydrophobicContact CG-CD2 4.12Å; L411-D413 PolarHBondContact O-N 3.43Å; L411-D413 VanDerWaalsContact O-N 3.1Å; L411-V414 WeakPolarHBondContact O-CB 3.44Å; L411-V414 PolarHBondContact O-N 3.11Å; L411-V417 HydrophobicContact CB-CG1 4.25Å; L411-C441 WeakPolarHBondContact CG-SG 3.26Å; L411-D448 PolarHBondContact N-OD2 3.5Å; L411-V450 HydrophobicContact CB-CG2 3.9Å
412G95.4Very high94.1Very high4 Ų430.9 Ų30.94%0.04116%0.162CC..G310 helixtrans-66.3-10.1176.900000113.3R418G412-R418 PolarHBondContact O-NE 2.72Å; G412-R418 PolarHBondContact O-NH2 3.47Å
413D95.9Very high94.2Very high41 Ų4130.8 Ų30.822%0.21916%0.162CC..G310 helixtrans-96.1-1.1174.3-72.3-28.1000113.5P247 W248 V410 L411 P415 R418P247-D413 WeakPolarHBondContact O-CB 3.38Å; W248-D413 HydrophobicContact CB-CB 4.09Å; V410-D413 HydrophobicContact CB-CB 4.17Å; V410-D413 HydrophobicContact CG1-CB 4.15Å; V410-D413 WeakPolarHBondContact CG1-OD2 3.35Å; V410-D413 PolarHBondContact O-N 2.91Å; L411-D413 PolarHBondContact O-N 3.43Å; L411-D413 VanDerWaalsContact O-N 3.1Å; D413-P415 WeakPolarHBondContact O-CD 3.48Å; D413-R418 IonicContact OD1-NH2 2.74Å; D413-R418 PolarHBondContact OD1-NH2 3.14Å
414V95.7Very high94.5Very high1 Ų125.3 Ų25.31%0.00614%0.136CC..SBendtrans-85.3117.3170177.90000109.2W248 V374 I402 L409 L411 Q416 V417 R418W248-V414 HydrophobicContact CB-CG2 3.68Å; W248-V414 HydrophobicContact CD2-CG2 4.42Å; W248-V414 HydrophobicContact CG-CG2 4.08Å; V374-V414 HydrophobicContact CG1-CG1 4.13Å; V374-V414 HydrophobicContact CG2-CG1 4.37Å; I402-V414 HydrophobicContact CD1-CB 4.08Å; I402-V414 HydrophobicContact CD1-CG1 3.49Å; I402-V414 VanDerWaalsContact CD1-CG1 3.49Å; I402-V414 HydrophobicContact CD1-CG2 3.4Å; L409-V414 HydrophobicContact CD1-CG2 4.16Å; L411-V414 WeakPolarHBondContact O-CB 3.44Å; L411-V414 PolarHBondContact O-N 3.11Å; V414-Q416 PolarHBondContact O-N 2.95Å; V414-V417 HydrophobicContact CB-CB 3.99Å; V414-V417 HydrophobicContact CB-CG2 3.86Å; V414-V417 HydrophobicContact CG1-CB 4.19Å; V414-V417 HydrophobicContact CG1-CG2 3.67Å; V414-V417 PolarHBondContact O-N 3.09Å; V414-R418 WeakPolarHBondContact O-CB 3.11Å; V414-R418 PolarHBondContact O-N 3.41Å
415P92.9Very high94.7Very high74 Ų7425.3 Ų25.348%0.48114%0.136SC..Hα-helixtrans-53.5-49-171.4-29.235.4000114.5D413 V417 R418 T419D413-P415 WeakPolarHBondContact O-CD 3.48Å; P415-V417 VanDerWaalsContact C-N 3.32Å; P415-V417 PolarHBondContact O-N 3.02Å; P415-R418 PolarHBondContact O-N 3.33Å; P415-T419 WeakPolarHBondContact O-CG2 3.46Å; P415-T419 PolarHBondContact O-N 2.87Å; P415-T419 VanDerWaalsContact O-N 3.09Å; P415-T419 PolarHBondContact O-OG1 2.76Å
416Q93.3Very high95Very high35 Ų3524.8 Ų24.816%0.16413%0.133CC..Hα-helixtrans-69.2-27.4-179.1-75.1-179.8-25.900113.9V374 G397 T400 V414 A420V374-Q416 HydrophobicContact CG2-CB 3.8Å; G397-Q416 PolarHBondContact O-NE2 3.1Å; T400-Q416 PolarHBondContact OG1-NE2 2.95Å; T400-Q416 PolarHBondContact OG1-OE1 2.95Å; V414-Q416 PolarHBondContact O-N 2.95Å; Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 2.96Å
417V96Very high95.1Very high0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-77.5-41.4176.1179.10000109.6L348 V374 L411 V414 P415 T419 A420 V423 V450L348-V417 HydrophobicContact CD1-CG2 4.43Å; V374-V417 HydrophobicContact CB-CG2 4.27Å; V374-V417 HydrophobicContact CG1-CG2 4.24Å; V374-V417 HydrophobicContact CG2-CG2 3.98Å; L411-V417 HydrophobicContact CB-CG1 4.25Å; V414-V417 HydrophobicContact CB-CB 3.99Å; V414-V417 HydrophobicContact CB-CG2 3.86Å; V414-V417 HydrophobicContact CG1-CB 4.19Å; V414-V417 HydrophobicContact CG1-CG2 3.67Å; V414-V417 PolarHBondContact O-N 3.09Å; P415-V417 VanDerWaalsContact C-N 3.32Å; P415-V417 PolarHBondContact O-N 3.02Å; V417-T419 PolarHBondContact O-N 3.19Å; V417-A420 PolarHBondContact O-N 3.44Å; V417-V423 HydrophobicContact CG1-CG1 4.31Å; V417-V423 HydrophobicContact CG1-CG2 3.98Å; V417-V450 HydrophobicContact CG1-CG1 3.65Å; V417-V450 HydrophobicContact CG1-CG2 4.07Å
418R93.8Very high95.1Very high143 Ų14325.2 Ų25.254%0.5413%0.134SC..Hα-helixtrans-61.1-41.3178.3-177.8-170.8-70.7168.6-3.8112.4G412 D413 V414 P415G412-R418 PolarHBondContact O-NE 2.72Å; G412-R418 PolarHBondContact O-NH2 3.47Å; D413-R418 IonicContact OD1-NH2 2.74Å; D413-R418 PolarHBondContact OD1-NH2 3.14Å; V414-R418 WeakPolarHBondContact O-CB 3.11Å; V414-R418 PolarHBondContact O-N 3.41Å; P415-R418 PolarHBondContact O-N 3.33Å
419T92.5Very high94.7Very high86 Ų8626.9 Ų26.953%0.52814%0.142SC..Hα-helixtrans-83.6-17.9-175.456.80000113.5P415 V417 S421P415-T419 WeakPolarHBondContact O-CG2 3.46Å; P415-T419 PolarHBondContact O-N 2.87Å; P415-T419 VanDerWaalsContact O-N 3.09Å; P415-T419 PolarHBondContact O-OG1 2.76Å; V417-T419 PolarHBondContact O-N 3.19Å; T419-S421 PolarHBondContact O-N 2.87Å
420A94.2Very high94.4Very high3 Ų327.6 Ų27.63%0.02515%0.145CC..  trans-72.7128.5-177.700000111.5C346 Q416 V417 R422 V423C346-A420 HydrophobicContact CB-CB 3.45Å; C346-A420 VanDerWaalsContact CB-CB 3.45Å; Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 2.96Å; V417-A420 PolarHBondContact O-N 3.44Å; A420-R422 PolarHBondContact O-N 3.27Å; A420-V423 HydrophobicContact CB-CG2 4.12Å
421S93.4Very high94Very high73 Ų7329.8 Ų29.851%0.5116%0.161SC..SBendtrans-68.7-22.8174.3-59.80000112.8V343 E344 T419 M451V343-S421 VanDerWaalsContact CG1-CB 3.41Å; E344-S421 PolarHBondContact O-N 3.29Å; E344-S421 VanDerWaalsContact O-N 3.15Å; T419-S421 PolarHBondContact O-N 2.87Å; S421-M451 VanDerWaalsContact O-CB 3.23Å; S421-M451 WeakPolarHBondContact O-CB 3.39Å
422R93.7Very high93.6Very high15 Ų1529.8 Ų29.86%0.05716%0.161CC..EExtended strand (participates in β ladder)trans-135.7129.2175.1174.7169.156.5-151.2-3.5110.2A339 D341 V343 E344 T345 C346 A420 V424 Q453A339-R422 PolarHBondContact O-NH2 2.66Å; D341-R422 IonicContact OD1-CZ 3.43Å; D341-R422 IonicContact OD1-NH1 3.51Å; D341-R422 IonicContact OD1-NH2 2.77Å; D341-R422 PolarHBondContact OD1-NH2 3.37Å; D341-R422 IonicContact OD2-CZ 3.9Å; D341-R422 IonicContact OD2-NH1 2.7Å; D341-R422 PolarHBondContact OD2-NH1 3.44Å; D341-R422 IonicContact OD2-NH2 3.28Å; D341-R422 PolarHBondContact OD2-NH2 3.44Å; V343-R422 HydrophobicContact CG1-CB 3.87Å; E344-R422 PolarHBondContact O-N 3.45Å; T345-R422 CarbonylContact C-O 3.53Å; T345-R422 VanDerWaalsContact CA-O 3.3Å; T345-R422 WeakPolarHBondContact CA-O 3.26Å; T345-R422 HydrophobicContact CG2-CB 4.48Å; T345-R422 HydrophobicContact CG2-CG 4.11Å; T345-R422 VanDerWaalsContact OG1-CZ 3.28Å; T345-R422 PolarHBondContact OG1-NE 2.82Å; T345-R422 PolarHBondContact OG1-NH2 3.29Å; C346-R422 PolarHBondContact N-O 2.9Å; A420-R422 PolarHBondContact O-N 3.27Å; R422-V424 HydrophobicContact CG-CG2 4.28Å; R422-Q453 HydrophobicContact CG-CB 4.3Å
423V96Very high93.4Very high0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-116.2129.4173.2-179.60000109.7C346 L348 V417 A420 V450 M451 L452 Q453C346-V423 HydrophobicContact CB-CG2 4.34Å; C346-V423 WeakPolarHBondContact O-CA 3.37Å; L348-V423 HydrophobicContact CB-CG1 4.27Å; V417-V423 HydrophobicContact CG1-CG1 4.31Å; V417-V423 HydrophobicContact CG1-CG2 3.98Å; A420-V423 HydrophobicContact CB-CG2 4.12Å; V423-V450 HydrophobicContact CB-CG1 4.12Å; V423-V450 HydrophobicContact CG1-CG1 4.33Å; V423-V450 HydrophobicContact CG2-CG1 3.81Å; V423-M451 PolarHBondContact N-O 3.35Å; V423-L452 HydrophobicContact CG1-CD1 4.23Å; V423-Q453 PolarHBondContact O-N 3.28Å
424V96.6Very high93.3Very high0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-117.1111.5175-177.70000108.8L332 A337 T345 C346 F347 L348 R422 I426 T454L332-V424 HydrophobicContact CD2-CG1 3.63Å; A337-V424 HydrophobicContact CB-CG1 3.98Å; A337-V424 HydrophobicContact CB-CG2 4.04Å; T345-V424 HydrophobicContact CG2-CG2 4.17Å; C346-V424 PolarHBondContact O-N 2.94Å; F347-V424 WeakPolarHBondContact CA-O 3.33Å; F347-V424 HydrophobicContact CD1-CB 3.94Å; F347-V424 HydrophobicContact CD1-CG1 4.12Å; F347-V424 HydrophobicContact CE1-CB 4.04Å; F347-V424 HydrophobicContact CE1-CG1 4.09Å; F347-V424 HydrophobicContact CE1-CG2 4.39Å; L348-V424 PolarHBondContact N-O 3.28Å; R422-V424 HydrophobicContact CG-CG2 4.28Å; V424-I426 HydrophobicContact CG1-CG2 4.17Å; V424-T454 CarbonylContact C-O 3.57Å; V424-T454 WeakPolarHBondContact CA-O 3.36Å
425A97.9Very high93.3Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-86136.1178.200000111.2L348 F350 L442 L452 T454 A455 I456L348-A425 CarbonylContact O-C 3.37Å; L348-A425 WeakPolarHBondContact O-CA 3.48Å; F350-A425 HydrophobicContact CE2-CB 4.1Å; A425-L442 HydrophobicContact CB-CD1 4.39Å; A425-L442 HydrophobicContact CB-CD2 3.55Å; A425-L452 HydrophobicContact CB-CD1 3.91Å; A425-T454 PolarHBondContact N-O 2.98Å; A425-A455 HydrophobicContact CB-CB 3.93Å; A425-A455 CarbonylContact O-C 3.6Å; A425-A455 VanDerWaalsContact O-CA 3.24Å; A425-A455 WeakPolarHBondContact O-CA 3.26Å; A425-I456 PolarHBondContact O-N 3.31Å
426I98.1Very high93.5Very high0 Ų026.6 Ų26.60%014%0.143CC..EExtended strand (participates in β ladder)trans-139.1152-178.964.3-175.8000111.6L332 L348 E349 F350 L357 I361 V424 I456L332-I426 HydrophobicContact CD1-CG2 4.15Å; L332-I426 HydrophobicContact CD2-CG2 3.76Å; L348-I426 PolarHBondContact O-N 2.84Å; E349-I426 WeakPolarHBondContact CA-O 3.44Å; E349-I426 HydrophobicContact CB-CD1 4.12Å; E349-I426 HydrophobicContact CB-CG1 3.82Å; E349-I426 HydrophobicContact CG-CD1 4.41Å; E349-I426 HydrophobicContact CG-CG1 4.07Å; F350-I426 PolarHBondContact N-O 2.65Å; L357-I426 HydrophobicContact CD2-CB 3.94Å; L357-I426 HydrophobicContact CD2-CD1 3.68Å; L357-I426 HydrophobicContact CD2-CG1 3.92Å; L357-I426 HydrophobicContact CG-CD1 3.86Å; I361-I426 HydrophobicContact CD1-CD1 3.28Å; V424-I426 HydrophobicContact CG1-CG2 4.17Å; I426-I456 VanDerWaalsContact CA-O 3.3Å; I426-I456 WeakPolarHBondContact CA-O 3.17Å
427C96.5Very high93.6Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-156149.7161.774.80000112.2F350 L430 I456 M457 A458F350-C427 HydrophobicContact CB-CB 4.18Å; F350-C427 VanDerWaalsContact O-CB 3.29Å; F350-C427 WeakPolarHBondContact O-CB 3.49Å; C427-L430 HydrophobicContact CB-CB 4.02Å; C427-L430 HydrophobicContact CB-CD2 4.37Å; C427-I456 PolarHBondContact N-O 2.73Å; C427-M457 HydrophobicContact CB-CE 4.47Å; C427-A458 PolarHBondContact O-N 3.27Å
428K92.5Very high93.7Very high35 Ų3525.1 Ų25.115%0.15214%0.137CC..EExtended strand (participates in β ladder)trans-118.9112.9170.5-172.3172.9-167.8-840109.9D321 Q324 L325 I328 L357D321-K428 IonicContact OD1-NZ 3.64Å; D321-K428 PolarHBondContact OD1-NZ 3.12Å; Q324-K428 VanDerWaalsContact CB-CE 3.48Å; L325-K428 HydrophobicContact CD2-CD 3.96Å; L325-K428 HydrophobicContact CG-CD 4.31Å; I328-K428 HydrophobicContact CD1-CB 4.29Å; I328-K428 HydrophobicContact CD1-CD 4.17Å; I328-K428 HydrophobicContact CD1-CG 4.06Å; L357-K428 HydrophobicContact CD2-CB 4.48Å
429H85Confident93.8Very high50 Ų5018.3 Ų18.323%0.23111%0.111CC..EExtended strand (participates in β ladder)trans65.543.5177.3-59.7-51.2000115.4Q324 C431 A458 C460 E569Q324-H429 VanDerWaalsContact CD-NE2 3.34Å; Q324-H429 PolarHBondContact NE2-CE1 3.45Å; Q324-H429 PolarHBondContact NE2-NE2 2.73Å; Q324-H429 VanDerWaalsContact NE2-NE2 3.15Å; Q324-H429 PolarHBondContact OE1-NE2 2.81Å; H429-C431 PolarHBondContact O-N 2.91Å; H429-C431 PolarHBondContact O-SG 3.19Å; H429-A458 PolarHBondContact N-O 2.94Å; H429-A458 VanDerWaalsContact N-O 3.11Å; H429-C460 HydrophobicContact CB-CB 3.89Å; H429-C460 WeakPolarHBondContact O-CB 3.48Å; H429-E569 WeakPolarHBondContact CE1-CB 3.25Å
430L91Very high94Very high15 Ų1514.6 Ų14.68%0.0799%0.089CC..EExtended strand (participates in β ladder)trans-75.9127.9174.2-176.468000109.9F350 I406 C427 A434 F435 A438 M457 A458 C460F350-L430 HydrophobicContact CB-CD2 3.88Å; I406-L430 HydrophobicContact CD1-CD1 4.05Å; I406-L430 HydrophobicContact CD1-CD2 4.03Å; C427-L430 HydrophobicContact CB-CB 4.02Å; C427-L430 HydrophobicContact CB-CD2 4.37Å; L430-A434 HydrophobicContact CD1-CB 3.84Å; L430-A434 WeakPolarHBondContact CD2-O 3.49Å; L430-A434 HydrophobicContact CG-CB 4.25Å; L430-F435 HydrophobicContact CB-CD2 3.89Å; L430-F435 HydrophobicContact CD2-CD2 4.27Å; L430-F435 HydrophobicContact CG-CB 4.34Å; L430-F435 HydrophobicContact CG-CD2 4.26Å; L430-A438 HydrophobicContact CD2-CB 3.7Å; L430-M457 HydrophobicContact CD2-CE 4.31Å; L430-A458 PolarHBondContact N-O 3.27Å; L430-C460 PolarHBondContact O-N 3.27Å; L430-C460 VanDerWaalsContact O-N 3.09Å
431C87.9Confident94.2Very high50 Ų5014.5 Ų14.534%0.3389%0.088SC..  trans-103.9143.9-165-61.80000113.5H429 A434 C460H429-C431 PolarHBondContact O-N 2.91Å; H429-C431 PolarHBondContact O-SG 3.19Å; C431-A434 WeakPolarHBondContact O-CB 3.17Å; C431-A434 PolarHBondContact O-N 3.36Å; C431-C460 VanDerWaalsContact SG-CB 3.55Å
432G87.5Confident94.3Very high1 Ų111 Ų111%0.016%0.063CC..THydrogen-bonded Turntrans59.8-146164.700000114.2A434 F435 C461 C465G432-A434 PolarHBondContact O-N 3.29Å; G432-F435 WeakPolarHBondContact O-CB 3.49Å; G432-F435 PolarHBondContact O-N 3.23Å; G432-C461 PolarHBondContact N-O 2.87Å; G432-C461 VanDerWaalsContact N-O 3.12Å; G432-C465 VanDerWaalsContact CA-SG 3.51Å
433D91.4Very high94.4Very high22 Ų2211.1 Ų11.112%0.1187%0.068CC..Hα-helixtrans-52.5-24.1174.2-74.44.4000114.1K265 F435 D436 A437 R464 C465 Y466 N469K265-D433 IonicContact NZ-OD2 3.64Å; K265-D433 PolarHBondContact NZ-OD2 3.08Å; D433-F435 VanDerWaalsContact C-N 3.26Å; D433-F435 PolarHBondContact O-N 3.35Å; D433-D436 PolarHBondContact O-N 3.25Å; D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.19Å; D433-A437 PolarHBondContact O-N 3.24Å; D433-R464 PolarHBondContact N-O 2.93Å; D433-R464 VanDerWaalsContact OD1-O 3.12Å; D433-C465 VanDerWaalsContact OD1-CA 3.29Å; D433-C465 WeakPolarHBondContact OD1-CA 3.48Å; D433-Y466 PolarHBondContact OD1-N 3.21Å; D433-Y466 VanDerWaalsContact OD2-CD2 3.32Å; D433-Y466 WeakPolarHBondContact OD2-CD2 3.41Å; D433-N469 HydrophobicContact CB-CB 4.29Å; D433-N469 PolarHBondContact OD2-ND2 3.2Å
434A93Very high94.3Very high31 Ų3113.2 Ų13.226%0.2568%0.079SC..Hα-helixtrans-68.1-30.7177.400000111.7L430 C431 G432 A438L430-A434 HydrophobicContact CD1-CB 3.84Å; L430-A434 WeakPolarHBondContact CD2-O 3.49Å; L430-A434 HydrophobicContact CG-CB 4.25Å; C431-A434 WeakPolarHBondContact O-CB 3.17Å; C431-A434 PolarHBondContact O-N 3.36Å; G432-A434 PolarHBondContact O-N 3.29Å; A434-A438 WeakPolarHBondContact O-CB 3.13Å; A434-A438 PolarHBondContact O-N 3.43Å
435F96.2Very high94.1Very high0 Ų013.2 Ų13.20%08%0.079CC..Hα-helixtrans-67.5-49.6173.6-163.5-88.1000110.2L430 G432 D433 A437 A438 L439 M457 P459L430-F435 HydrophobicContact CB-CD2 3.89Å; L430-F435 HydrophobicContact CD2-CD2 4.27Å; L430-F435 HydrophobicContact CG-CB 4.34Å; L430-F435 HydrophobicContact CG-CD2 4.26Å; G432-F435 WeakPolarHBondContact O-CB 3.49Å; G432-F435 PolarHBondContact O-N 3.23Å; D433-F435 VanDerWaalsContact C-N 3.26Å; D433-F435 PolarHBondContact O-N 3.35Å; F435-A437 VanDerWaalsContact C-N 3.33Å; F435-A437 PolarHBondContact O-N 3.03Å; F435-A438 WeakPolarHBondContact O-CA 3.09Å; F435-A438 WeakPolarHBondContact O-CB 3.28Å; F435-A438 PolarHBondContact O-N 3.48Å; F435-L439 HydrophobicContact CD1-CD1 4.04Å; F435-L439 HydrophobicContact CD1-CD2 4.41Å; F435-L439 HydrophobicContact CD1-CG 4.05Å; F435-L439 HydrophobicContact CE1-CD1 3.87Å; F435-L439 HydrophobicContact CE1-CD2 3.96Å; F435-L439 HydrophobicContact CE1-CG 4.01Å; F435-L439 HydrophobicContact CZ-CD2 4.5Å; F435-L439 WeakPolarHBondContact O-CG 3.36Å; F435-L439 PolarHBondContact O-N 2.8Å; F435-M457 HydrophobicContact CE2-CB 3.92Å; F435-M457 HydrophobicContact CE2-CE 4.21Å; F435-M457 HydrophobicContact CZ-CB 3.81Å; F435-M457 HydrophobicContact CZ-CE 4.45Å; F435-P459 HydrophobicContact CD1-CB 4.47Å; F435-P459 HydrophobicContact CD2-CB 3.97Å; F435-P459 HydrophobicContact CE1-CB 4.19Å; F435-P459 VanDerWaalsContact CE2-CA 3.44Å; F435-P459 HydrophobicContact CE2-CB 3.71Å; F435-P459 HydrophobicContact CE2-CG 4.45Å; F435-P459 HydrophobicContact CG-CB 4.38Å; F435-P459 HydrophobicContact CZ-CB 3.82Å; F435-P459 HydrophobicContact CZ-CG 4.28Å
436D96.4Very high93.5Very high0 Ų015.6 Ų15.60%010%0.095CC..Hα-helixtrans-63.5-37.5178.3-58.2-77.5000112.2D433 A438 L439 C440 N469 F470 R545D433-D436 PolarHBondContact O-N 3.25Å; D436-A438 VanDerWaalsContact C-N 3.32Å; D436-A438 PolarHBondContact O-N 3.26Å; D436-L439 PolarHBondContact O-N 3.02Å; D436-C440 PolarHBondContact O-N 3.42Å; D436-C440 PolarHBondContact O-SG 3.22Å; D436-N469 VanDerWaalsContact CB-O 3.27Å; D436-N469 WeakPolarHBondContact CB-O 3.4Å; D436-F470 VanDerWaalsContact OD1-CD2 3.29Å; D436-F470 WeakPolarHBondContact OD1-CD2 3.33Å; D436-R545 IonicContact OD1-CZ 3.75Å; D436-R545 IonicContact OD1-NE 2.98Å; D436-R545 PolarHBondContact OD1-NE 3.23Å; D436-R545 IonicContact OD1-NH2 3.86Å; D436-R545 PolarHBondContact OD1-NH2 2.69Å; D436-R545 IonicContact OD2-CZ 2.64Å; D436-R545 IonicContact OD2-NE 2.74Å; D436-R545 IonicContact OD2-NH2 2.71Å; D436-R545 PolarHBondContact OD2-NH2 2.87Å
437A96.1Very high93Very high4 Ų422.4 Ų22.43%0.03313%0.132CC..Hα-helixtrans-63.7-37172.400000112N254 I406 E407 D433 F435 C440 C441N254-A437 WeakPolarHBondContact CB-O 3.01Å; I406-A437 HydrophobicContact CB-CB 4.34Å; I406-A437 HydrophobicContact CG2-CB 4.14Å; E407-A437 HydrophobicContact CB-CB 4.4Å; D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.19Å; D433-A437 PolarHBondContact O-N 3.24Å; F435-A437 VanDerWaalsContact C-N 3.33Å; F435-A437 PolarHBondContact O-N 3.03Å; A437-C440 PolarHBondContact O-N 2.84Å; A437-C441 VanDerWaalsContact O-CB 3.22Å; A437-C441 WeakPolarHBondContact O-CB 3.11Å; A437-C441 PolarHBondContact O-N 2.9Å
438A97.5Very high92.5Very high0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-66.7-40.8173.800000111.3F350 I406 L430 A434 F435 D436 C440 C441 L442 M457F350-A438 HydrophobicContact CB-CB 4.4Å; F350-A438 HydrophobicContact CD1-CB 4.07Å; F350-A438 HydrophobicContact CD2-CB 4.27Å; F350-A438 HydrophobicContact CE1-CB 4.36Å; F350-A438 HydrophobicContact CG-CB 4Å; I406-A438 HydrophobicContact CD1-CB 4.36Å; I406-A438 HydrophobicContact CG2-CB 4.08Å; L430-A438 HydrophobicContact CD2-CB 3.7Å; A434-A438 WeakPolarHBondContact O-CB 3.13Å; A434-A438 PolarHBondContact O-N 3.43Å; F435-A438 WeakPolarHBondContact O-CA 3.09Å; F435-A438 WeakPolarHBondContact O-CB 3.28Å; F435-A438 PolarHBondContact O-N 3.48Å; D436-A438 VanDerWaalsContact C-N 3.32Å; D436-A438 PolarHBondContact O-N 3.26Å; A438-C440 PolarHBondContact O-N 2.57Å; A438-C441 VanDerWaalsContact O-CB 3.28Å; A438-C441 WeakPolarHBondContact O-CB 3.18Å; A438-C441 PolarHBondContact O-N 3.17Å; A438-C441 VanDerWaalsContact O-N 3.15Å; A438-L442 WeakPolarHBondContact O-CG 3.5Å; A438-L442 PolarHBondContact O-N 3.18Å; A438-M457 HydrophobicContact CB-CE 3.66Å
439L97.2Very high92.3Very high0 Ų025.9 Ų25.90%017%0.165CC..Hα-helixtrans-62.3-43174.3-60-168.3000112.1F435 D436 C441 L442 A443 M457 R545 F548 L549F435-L439 HydrophobicContact CD1-CD1 4.04Å; F435-L439 HydrophobicContact CD1-CD2 4.41Å; F435-L439 HydrophobicContact CD1-CG 4.05Å; F435-L439 HydrophobicContact CE1-CD1 3.87Å; F435-L439 HydrophobicContact CE1-CD2 3.96Å; F435-L439 HydrophobicContact CE1-CG 4.01Å; F435-L439 HydrophobicContact CZ-CD2 4.5Å; F435-L439 WeakPolarHBondContact O-CG 3.36Å; F435-L439 PolarHBondContact O-N 2.8Å; D436-L439 PolarHBondContact O-N 3.02Å; L439-C441 VanDerWaalsContact C-N 3.29Å; L439-C441 PolarHBondContact O-N 2.58Å; L439-L442 PolarHBondContact O-N 3.45Å; L439-A443 PolarHBondContact O-N 2.88Å; L439-M457 HydrophobicContact CD2-CE 4.23Å; L439-M457 HydrophobicContact CD2-SD 3.84Å; L439-R545 HydrophobicContact CD1-CB 3.71Å; L439-R545 HydrophobicContact CD1-CG 3.86Å; L439-F548 HydrophobicContact CB-CD1 4.25Å; L439-F548 HydrophobicContact CB-CE1 4.03Å; L439-L549 HydrophobicContact CD2-CD1 3.93Å; L439-L549 HydrophobicContact CD2-CG 4.44Å
440C96.9Very high92.7Very high8 Ų823.9 Ų23.95%0.05416%0.157CC..Hα-helixtrans-63-37.3173.6-65.20000111.6N254 D436 A437 A438 A443 N444N254-C440 HydrophobicContact CB-CB 4.12Å; N254-C440 VanDerWaalsContact O-CB 3.32Å; N254-C440 WeakPolarHBondContact O-CB 3.25Å; D436-C440 PolarHBondContact O-N 3.42Å; D436-C440 PolarHBondContact O-SG 3.22Å; A437-C440 PolarHBondContact O-N 2.84Å; A438-C440 PolarHBondContact O-N 2.57Å; C440-A443 PolarHBondContact O-N 3.46Å; C440-N444 WeakPolarHBondContact O-CB 3.02Å; C440-N444 PolarHBondContact O-N 3.47Å; C440-N444 PolarHBondContact O-ND2 2.84Å
441C97.1Very high92.8Very high0 Ų027.9 Ų27.90%018%0.176CC..Hα-helixtrans-63.1-42.3175.6-167.10000111.8N254 F350 I406 L411 A437 A438 L439 N444 S445N254-C441 HydrophobicContact CB-CB 4.23Å; N254-C441 WeakPolarHBondContact ND2-CB 3.29Å; N254-C441 PolarHBondContact ND2-SG 2.63Å; N254-C441 VanDerWaalsContact ND2-SG 3.36Å; N254-C441 WeakPolarHBondContact OD1-CA 3.48Å; F350-C441 HydrophobicContact CE1-CB 4.4Å; F350-C441 HydrophobicContact CZ-CB 4.36Å; I406-C441 HydrophobicContact CG2-CB 4.25Å; L411-C441 WeakPolarHBondContact CG-SG 3.26Å; A437-C441 VanDerWaalsContact O-CB 3.22Å; A437-C441 WeakPolarHBondContact O-CB 3.11Å; A437-C441 PolarHBondContact O-N 2.9Å; A438-C441 VanDerWaalsContact O-CB 3.28Å; A438-C441 WeakPolarHBondContact O-CB 3.18Å; A438-C441 PolarHBondContact O-N 3.17Å; A438-C441 VanDerWaalsContact O-N 3.15Å; L439-C441 VanDerWaalsContact C-N 3.29Å; L439-C441 PolarHBondContact O-N 2.58Å; C441-N444 PolarHBondContact O-N 3.17Å; C441-S445 PolarHBondContact O-N 3.38Å; C441-S445 VanDerWaalsContact O-N 3.08Å
442L96.4Very high93.2Very high0 Ų025.6 Ų25.60%016%0.161CC..Hα-helixtrans-65.5-41.5172.6-63.5179.1000112.2F350 A425 A438 L439 N444 S445 L452 A455 M457F350-L442 HydrophobicContact CE2-CD2 3.89Å; F350-L442 HydrophobicContact CE2-CG 4.4Å; F350-L442 HydrophobicContact CZ-CD2 4.28Å; A425-L442 HydrophobicContact CB-CD1 4.39Å; A425-L442 HydrophobicContact CB-CD2 3.55Å; A438-L442 WeakPolarHBondContact O-CG 3.5Å; A438-L442 PolarHBondContact O-N 3.18Å; L439-L442 PolarHBondContact O-N 3.45Å; L442-N444 VanDerWaalsContact C-N 3.3Å; L442-N444 PolarHBondContact O-N 3.06Å; L442-S445 WeakPolarHBondContact O-CB 3.44Å; L442-S445 PolarHBondContact O-N 3.36Å; L442-S445 PolarHBondContact O-OG 2.95Å; L442-L452 HydrophobicContact CB-CD2 3.91Å; L442-L452 HydrophobicContact CD2-CD1 4.03Å; L442-L452 HydrophobicContact CD2-CD2 3.49Å; L442-L452 VanDerWaalsContact CD2-CD2 3.49Å; L442-L452 HydrophobicContact CD2-CG 4.43Å; L442-L452 HydrophobicContact CG-CD2 4.2Å; L442-A455 HydrophobicContact CD1-CB 3.7Å; L442-M457 HydrophobicContact CD1-SD 3.5Å; L442-M457 VanDerWaalsContact CD1-SD 3.5Å
443A94.8Very high93.4Very high18 Ų1829 Ų2915%0.14918%0.176CC..Hα-helixtrans-61.3-40176.500000111.9L439 C440 S445 F548 V552L439-A443 PolarHBondContact O-N 2.88Å; C440-A443 PolarHBondContact O-N 3.46Å; A443-S445 VanDerWaalsContact C-N 3.31Å; A443-F548 HydrophobicContact CB-CE1 4.08Å; A443-F548 HydrophobicContact CB-CZ 3.88Å; A443-V552 HydrophobicContact CB-CB 4.34Å; A443-V552 HydrophobicContact CB-CG1 4.19Å; A443-V552 HydrophobicContact CB-CG2 3.91Å
444N94.5Very high93.6Very high44 Ų4428 Ų2824%0.23517%0.171CC..Hα-helixtrans-73-22.7177.5-70.1-24.8000113.1V253 N254 C440 C441 L442 S446 N447 D448V253-N444 PolarHBondContact O-ND2 3.44Å; N254-N444 PolarHBondContact OD1-ND2 3.35Å; C440-N444 WeakPolarHBondContact O-CB 3.02Å; C440-N444 PolarHBondContact O-N 3.47Å; C440-N444 PolarHBondContact O-ND2 2.84Å; C441-N444 PolarHBondContact O-N 3.17Å; L442-N444 VanDerWaalsContact C-N 3.3Å; L442-N444 PolarHBondContact O-N 3.06Å; N444-S446 PolarHBondContact O-N 3.14Å; N444-S446 VanDerWaalsContact O-N 3.11Å; N444-N447 WeakPolarHBondContact O-CB 3.31Å; N444-N447 PolarHBondContact O-N 3.48Å; N444-D448 PolarHBondContact O-N 3.3Å
445S92.7Very high93.9Very high0 Ų026.6 Ų26.60%016%0.159CC..Hα-helixtrans-61.6-27.7-170.987.40000113.4C441 L442 A443 N447 D448 G449 V450 L452C441-S445 PolarHBondContact O-N 3.38Å; C441-S445 VanDerWaalsContact O-N 3.08Å; L442-S445 WeakPolarHBondContact O-CB 3.44Å; L442-S445 PolarHBondContact O-N 3.36Å; L442-S445 PolarHBondContact O-OG 2.95Å; A443-S445 VanDerWaalsContact C-N 3.31Å; S445-N447 VanDerWaalsContact C-N 3.33Å; S445-D448 WeakPolarHBondContact O-CB 3.25Å; S445-D448 PolarHBondContact O-N 2.83Å; S445-G449 PolarHBondContact O-N 2.75Å; S445-V450 WeakPolarHBondContact O-CB 3.44Å; S445-V450 PolarHBondContact O-N 3.09Å; S445-L452 WeakPolarHBondContact OG-CD2 3.49Å
446S84.7Confident93.9Very high50 Ų5026.6 Ų26.635%0.3516%0.159SC..THydrogen-bonded Turntrans-66.8-34175.9-57.90000112.7N444 D448 G449 K577N444-S446 PolarHBondContact O-N 3.14Å; N444-S446 VanDerWaalsContact O-N 3.11Å; S446-D448 VanDerWaalsContact C-N 3.26Å; S446-G449 PolarHBondContact O-N 3.21Å; S446-K577 PolarHBondContact OG-NZ 3.36Å
447N87.5Confident94Very high142 Ų14226.6 Ų26.676%0.75916%0.159SC*.THydrogen-bonded Turntrans-73.6-24.5174.1-62-31.7000111.8N444 S445 G449N444-N447 WeakPolarHBondContact O-CB 3.31Å; N444-N447 PolarHBondContact O-N 3.48Å; S445-N447 VanDerWaalsContact C-N 3.33Å; N447-G449 VanDerWaalsContact C-N 3.27Å; N447-G449 PolarHBondContact O-N 3.06Å
448D85.5Confident94Very high51 Ų5126.4 Ų26.427%0.27316%0.158SC..THydrogen-bonded Turntrans-84.11.3179.2-67.1-14000113V410 L411 N444 S445 S446 V450V410-D448 WeakPolarHBondContact CG1-OD2 3.41Å; L411-D448 PolarHBondContact N-OD2 3.5Å; N444-D448 PolarHBondContact O-N 3.3Å; S445-D448 WeakPolarHBondContact O-CB 3.25Å; S445-D448 PolarHBondContact O-N 2.83Å; S446-D448 VanDerWaalsContact C-N 3.26Å; D448-V450 VanDerWaalsContact C-N 3.31Å; D448-V450 HydrophobicContact CB-CG2 4.04Å; D448-V450 PolarHBondContact O-N 2.83Å
449G88.2Confident93.8Very high57 Ų5726.8 Ų26.859%0.58816%0.16SC*.THydrogen-bonded Turntrans73.118.7-178.100000114.5S445 S446 N447S445-G449 PolarHBondContact O-N 2.75Å; S446-G449 PolarHBondContact O-N 3.21Å; N447-G449 VanDerWaalsContact C-N 3.27Å; N447-G449 PolarHBondContact O-N 3.06Å
450V94Very high93.4Very high9 Ų927.8 Ų27.86%0.05517%0.167CC..  trans-82.3126-178.9179.40000110.4L411 V417 V423 S445 D448 L452L411-V450 HydrophobicContact CB-CG2 3.9Å; V417-V450 HydrophobicContact CG1-CG1 3.65Å; V417-V450 HydrophobicContact CG1-CG2 4.07Å; V423-V450 HydrophobicContact CB-CG1 4.12Å; V423-V450 HydrophobicContact CG1-CG1 4.33Å; V423-V450 HydrophobicContact CG2-CG1 3.81Å; S445-V450 WeakPolarHBondContact O-CB 3.44Å; S445-V450 PolarHBondContact O-N 3.09Å; D448-V450 VanDerWaalsContact C-N 3.31Å; D448-V450 HydrophobicContact CB-CG2 4.04Å; D448-V450 PolarHBondContact O-N 2.83Å; V450-L452 HydrophobicContact CG1-CB 4.33Å; V450-L452 PolarHBondContact O-N 2.75Å
451M94.1Very high92.8Very high98 Ų9828.8 Ų28.848%0.48317%0.174SC..  trans-78.260.6177.2-60.6-61.4-84.900111.9S421 V423 Q453S421-M451 VanDerWaalsContact O-CB 3.23Å; S421-M451 WeakPolarHBondContact O-CB 3.39Å; V423-M451 PolarHBondContact N-O 3.35Å; M451-Q453 PolarHBondContact O-N 3.49Å
452L94.8Very high92.4Very high2 Ų229 Ų291%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-75.5109.2178.8176.266.9000110.5V423 A425 L442 S445 V450 F554 C579V423-L452 HydrophobicContact CG1-CD1 4.23Å; A425-L452 HydrophobicContact CB-CD1 3.91Å; L442-L452 HydrophobicContact CB-CD2 3.91Å; L442-L452 HydrophobicContact CD2-CD1 4.03Å; L442-L452 HydrophobicContact CD2-CD2 3.49Å; L442-L452 VanDerWaalsContact CD2-CD2 3.49Å; L442-L452 HydrophobicContact CD2-CG 4.43Å; L442-L452 HydrophobicContact CG-CD2 4.2Å; S445-L452 WeakPolarHBondContact OG-CD2 3.49Å; V450-L452 HydrophobicContact CG1-CB 4.33Å; V450-L452 PolarHBondContact O-N 2.75Å; L452-F554 HydrophobicContact CD2-CE1 3.85Å; L452-F554 HydrophobicContact CD2-CZ 3.58Å; L452-F554 HydrophobicContact CG-CE1 4.27Å; L452-F554 HydrophobicContact CG-CZ 4.42Å; L452-C579 PolarHBondContact O-SG 3.09Å
453Q93.6Very high91.5Very high73 Ų7332.8 Ų32.834%0.34119%0.193SC..EExtended strand (participates in β ladder)trans-92.8-46.2-179.7-172.2-175.525.600112.1R422 V423 M451 N576 K577R422-Q453 HydrophobicContact CG-CB 4.3Å; V423-Q453 PolarHBondContact O-N 3.28Å; M451-Q453 PolarHBondContact O-N 3.49Å; Q453-N576 CarbonylContact O-C 3.55Å; Q453-N576 WeakPolarHBondContact O-CA 3.44Å; Q453-K577 PolarHBondContact O-N 2.88Å
454T95.4Very high90.9Very high2 Ų239.7 Ų39.71%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-139.7140.4-169.7-58.90000110.4N335 V424 A425 I456 A575 N576N335-T454 HydrophobicContact CB-CG2 3.99Å; V424-T454 CarbonylContact C-O 3.57Å; V424-T454 WeakPolarHBondContact CA-O 3.36Å; A425-T454 PolarHBondContact N-O 2.98Å; T454-I456 HydrophobicContact CG2-CD1 4.36Å; T454-I456 HydrophobicContact CG2-CG1 3.86Å; T454-A575 CarbonylContact C-O 3.58Å; T454-A575 WeakPolarHBondContact CA-O 3.2Å; T454-N576 VanDerWaalsContact CG2-OD1 3.31Å; T454-N576 WeakPolarHBondContact CG2-OD1 3.23Å; T454-N576 PolarHBondContact OG1-OD1 3.29Å
455A97.4Very high90.6Very high0 Ų037.6 Ų37.60%020%0.204CC..EExtended strand (participates in β ladder)trans-127.4123.4169.400000110.5A425 L442 M457 I574 A575A425-A455 HydrophobicContact CB-CB 3.93Å; A425-A455 CarbonylContact O-C 3.6Å; A425-A455 VanDerWaalsContact O-CA 3.24Å; A425-A455 WeakPolarHBondContact O-CA 3.26Å; L442-A455 HydrophobicContact CD1-CB 3.7Å; A455-M457 HydrophobicContact CB-CG 4.38Å; A455-M457 HydrophobicContact CB-SD 4.38Å; A455-I574 WeakPolarHBondContact O-CA 3.44Å; A455-A575 HydrophobicContact CB-CB 4.29Å; A455-A575 PolarHBondContact N-O 3.36Å; A455-A575 PolarHBondContact O-N 2.7Å
456I97.6Very high90.5Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-120.2100.7176.9-59.4-150.5000109.2I328 H331 L332 N335 A425 I426 C427 T454 L572 I574I328-I456 HydrophobicContact CG2-CG2 4.22Å; H331-I456 VanDerWaalsContact C-CD1 3.4Å; H331-I456 HydrophobicContact CB-CD1 3.82Å; H331-I456 WeakPolarHBondContact O-CD1 3.5Å; L332-I456 HydrophobicContact CB-CD1 4.47Å; L332-I456 HydrophobicContact CD2-CB 4.11Å; L332-I456 HydrophobicContact CD2-CD1 3.89Å; L332-I456 HydrophobicContact CD2-CG1 3.93Å; L332-I456 HydrophobicContact CG-CB 4.47Å; L332-I456 HydrophobicContact CG-CD1 4.01Å; L332-I456 HydrophobicContact CG-CG1 4.45Å; N335-I456 HydrophobicContact CB-CD1 4.45Å; A425-I456 PolarHBondContact O-N 3.31Å; I426-I456 VanDerWaalsContact CA-O 3.3Å; I426-I456 WeakPolarHBondContact CA-O 3.17Å; C427-I456 PolarHBondContact N-O 2.73Å; T454-I456 HydrophobicContact CG2-CD1 4.36Å; T454-I456 HydrophobicContact CG2-CG1 3.86Å; I456-L572 HydrophobicContact CG2-CD1 3.71Å; I456-L572 HydrophobicContact CG2-CD2 3.78Å; I456-L572 HydrophobicContact CG2-CG 3.94Å; I456-I574 HydrophobicContact CD1-CG2 4.42Å; I456-I574 HydrophobicContact CG1-CG2 4.48Å
457M97.7Very high90.9Very high0 Ų038.7 Ų38.70%020%0.201CC..EExtended strand (participates in β ladder)trans-127.9115.4-164.1-63.9-172.673.700111.9F350 C427 L430 F435 A438 L439 L442 A455 P459 L573F350-M457 HydrophobicContact CD2-CE 4.33Å; C427-M457 HydrophobicContact CB-CE 4.47Å; L430-M457 HydrophobicContact CD2-CE 4.31Å; F435-M457 HydrophobicContact CE2-CB 3.92Å; F435-M457 HydrophobicContact CE2-CE 4.21Å; F435-M457 HydrophobicContact CZ-CB 3.81Å; F435-M457 HydrophobicContact CZ-CE 4.45Å; A438-M457 HydrophobicContact CB-CE 3.66Å; L439-M457 HydrophobicContact CD2-CE 4.23Å; L439-M457 HydrophobicContact CD2-SD 3.84Å; L442-M457 HydrophobicContact CD1-SD 3.5Å; L442-M457 VanDerWaalsContact CD1-SD 3.5Å; A455-M457 HydrophobicContact CB-CG 4.38Å; A455-M457 HydrophobicContact CB-SD 4.38Å; M457-P459 VanDerWaalsContact O-CD 3.22Å; M457-P459 WeakPolarHBondContact O-CD 3.4Å; M457-L573 PolarHBondContact N-O 2.88Å; M457-L573 PolarHBondContact O-N 3.45Å
458A95.8Very high91.1Very high1 Ų133.4 Ų33.41%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-91.9107.6175.700000111.1I328 C427 H429 L430 F561 L572I328-A458 HydrophobicContact CD1-CB 4.41Å; C427-A458 PolarHBondContact O-N 3.27Å; H429-A458 PolarHBondContact N-O 2.94Å; H429-A458 VanDerWaalsContact N-O 3.11Å; L430-A458 PolarHBondContact N-O 3.27Å; A458-F561 HydrophobicContact CB-CE1 4.43Å; A458-F561 HydrophobicContact CB-CZ 4.39Å; A458-L572 HydrophobicContact CB-CD1 3.91Å
459P94.5Very high91.4Very high7 Ų731.2 Ų31.25%0.04516%0.163CC..EExtended strand (participates in β ladder)trans-68.6151.6174.329.4-36.2000111.6F435 M457 N542 L571F435-P459 HydrophobicContact CD1-CB 4.47Å; F435-P459 HydrophobicContact CD2-CB 3.97Å; F435-P459 HydrophobicContact CE1-CB 4.19Å; F435-P459 VanDerWaalsContact CE2-CA 3.44Å; F435-P459 HydrophobicContact CE2-CB 3.71Å; F435-P459 HydrophobicContact CE2-CG 4.45Å; F435-P459 HydrophobicContact CG-CB 4.38Å; F435-P459 HydrophobicContact CZ-CB 3.82Å; F435-P459 HydrophobicContact CZ-CG 4.28Å; M457-P459 VanDerWaalsContact O-CD 3.22Å; M457-P459 WeakPolarHBondContact O-CD 3.4Å; P459-N542 WeakPolarHBondContact CG-OD1 3.2Å; P459-L571 WeakPolarHBondContact CD-O 3.24Å; P459-L571 HydrophobicContact CG-CB 4.28Å
460C89.4Confident91.7Very high21 Ų2128.5 Ų28.514%0.14214%0.135CC..  trans-113.1-128.7176.8-164.10000111.5H429 L430 C431H429-C460 HydrophobicContact CB-CB 3.89Å; H429-C460 WeakPolarHBondContact O-CB 3.48Å; L430-C460 PolarHBondContact O-N 3.27Å; L430-C460 VanDerWaalsContact O-N 3.09Å; C431-C460 VanDerWaalsContact SG-CB 3.55Å
461C83.9Confident91.8Very high29 Ų2928.2 Ų28.220%0.19613%0.133CC..  trans-75.6143-175.2-50.60000112.8G432 H463G432-C461 PolarHBondContact N-O 2.87Å; G432-C461 VanDerWaalsContact N-O 3.12Å; C461-H463 WeakPolarHBondContact CB-ND1 3.3Å
462L88.1Confident91.8Very high6 Ų623.7 Ų23.73%0.03111%0.111CC..SBendtrans-93.5-8.7179.1-59.9-176.5000114.4R464 C465 C490 A493 K538 V541L462-R464 PolarHBondContact O-N 2.88Å; L462-C465 WeakPolarHBondContact O-CB 3.33Å; L462-C465 PolarHBondContact O-N 3.11Å; L462-C465 PolarHBondContact O-SG 3.26Å; L462-C465 VanDerWaalsContact O-SG 3.4Å; L462-C490 HydrophobicContact CB-CB 4.16Å; L462-A493 HydrophobicContact CB-CB 4.26Å; L462-A493 HydrophobicContact CD1-CB 3.67Å; L462-A493 HydrophobicContact CG-CB 4.23Å; L462-K538 HydrophobicContact CD1-CG 4.48Å; L462-V541 HydrophobicContact CD1-CB 3.68Å; L462-V541 HydrophobicContact CD1-CG1 3.8Å; L462-V541 HydrophobicContact CD1-CG2 3.81Å; L462-V541 HydrophobicContact CD2-CG1 3.91Å
463H78.5Confident91.8Very high79 Ų7924.5 Ų24.537%0.36612%0.115SC..THydrogen-bonded Turntrans-66.93.1-178.173.5-85.2000115.1F268 C461F268-H463 WeakPolarHBondContact CB-O 3.28Å; F268-H463 HydrophobicContact CD1-CB 4.3Å; F268-H463 WeakPolarHBondContact CD2-O 3.35Å; F268-H463 HydrophobicContact CE1-CB 4.45Å; F268-H463 WeakPolarHBondContact CG-O 3.47Å; C461-H463 WeakPolarHBondContact CB-ND1 3.3Å
464R81.2Confident91.6Very high162 Ų16225.7 Ų25.761%0.61112%0.121SC*.THydrogen-bonded Turntrans-12414.2172.1-65.2-168.5176.7-159.40.7112D433 L462D433-R464 PolarHBondContact N-O 2.93Å; D433-R464 VanDerWaalsContact OD1-O 3.12Å; L462-R464 PolarHBondContact O-N 2.88Å
465C88.7Confident91.3Very high1 Ų126.5 Ų26.51%0.00713%0.127CC..  trans-86.4129.9170.5-51.30000108.4G432 D433 L462 F486 R545G432-C465 VanDerWaalsContact CA-SG 3.51Å; D433-C465 VanDerWaalsContact OD1-CA 3.29Å; D433-C465 WeakPolarHBondContact OD1-CA 3.48Å; L462-C465 WeakPolarHBondContact O-CB 3.33Å; L462-C465 PolarHBondContact O-N 3.11Å; L462-C465 PolarHBondContact O-SG 3.26Å; L462-C465 VanDerWaalsContact O-SG 3.4Å; C465-F486 HydrophobicContact CB-CE1 4.24Å; C465-F486 HydrophobicContact CB-CZ 3.65Å; C465-R545 PolarHBondContact SG-NH2 3.1Å
466Y89.9Confident90.9Very high49 Ų4926.5 Ų26.519%0.19213%0.128CC..  trans-114.2140.1174.1-69.6-94.1000108.7K265 G266 D433 S468 N469 F470K265-Y466 HydrophobicContact CB-CE1 3.92Å; K265-Y466 HydrophobicContact CB-CE2 4.11Å; K265-Y466 HydrophobicContact CD-CD1 3.74Å; K265-Y466 HydrophobicContact CD-CD2 3.6Å; K265-Y466 HydrophobicContact CD-CE1 3.93Å; K265-Y466 HydrophobicContact CD-CE2 3.77Å; K265-Y466 HydrophobicContact CD-CG 3.57Å; K265-Y466 HydrophobicContact CG-CD1 4.06Å; K265-Y466 HydrophobicContact CG-CE1 3.87Å; K265-Y466 HydrophobicContact CG-CE2 4.34Å; K265-Y466 HydrophobicContact CG-CG 4.38Å; G266-Y466 PolarHBondContact O-OH 3.05Å; G266-Y466 VanDerWaalsContact O-OH 3.05Å; D433-Y466 PolarHBondContact OD1-N 3.21Å; D433-Y466 VanDerWaalsContact OD2-CD2 3.32Å; D433-Y466 WeakPolarHBondContact OD2-CD2 3.41Å; Y466-S468 VanDerWaalsContact C-N 3.27Å; Y466-S468 PolarHBondContact O-N 3.19Å; Y466-N469 CarbonylContact O-C 3.49Å; Y466-N469 PolarHBondContact O-N 2.84Å; Y466-F470 PolarHBondContact O-N 3.45Å
467W92.6Very high90.6Very high24 Ų2432 Ų329%0.09115%0.152CC..G310 helixtrans-50.1-48.5-179.3-179.2-111.5000112.3N469 F470 Q473 L476 K477 E483 F486W467-N469 PolarHBondContact O-N 3.39Å; W467-F470 HydrophobicContact CE3-CD1 4.29Å; W467-F470 HydrophobicContact CZ3-CD1 4.26Å; W467-F470 WeakPolarHBondContact O-CB 3.35Å; W467-F470 PolarHBondContact O-N 3.03Å; W467-Q473 HydrophobicContact CD2-CG 3.74Å; W467-Q473 HydrophobicContact CE3-CG 3.89Å; W467-Q473 HydrophobicContact CG-CG 4.44Å; W467-Q473 HydrophobicContact CH2-CB 4.18Å; W467-Q473 HydrophobicContact CH2-CG 3.95Å; W467-Q473 HydrophobicContact CZ2-CB 4.18Å; W467-Q473 HydrophobicContact CZ2-CG 3.79Å; W467-Q473 HydrophobicContact CZ3-CG 3.98Å; W467-Q473 PolarHBondContact O-NE2 2.87Å; W467-L476 HydrophobicContact CH2-CB 4.33Å; W467-L476 HydrophobicContact CZ3-CB 4.42Å; W467-L476 HydrophobicContact CZ3-CD1 4.09Å; W467-K477 HydrophobicContact CH2-CG 4.26Å; W467-K477 HydrophobicContact CZ2-CD 4.4Å; W467-K477 VanDerWaalsContact CZ2-CE 3.44Å; W467-K477 HydrophobicContact CZ2-CG 4.12Å; W467-E483 HydrophobicContact CB-CB 4.12Å; W467-E483 HydrophobicContact CB-CG 3.57Å; W467-E483 WeakPolarHBondContact CB-OE1 3.43Å; W467-E483 HydrophobicContact CD2-CB 3.86Å; W467-E483 HydrophobicContact CD2-CG 4.31Å; W467-E483 HydrophobicContact CG-CB 3.64Å; W467-E483 HydrophobicContact CG-CG 3.66Å; W467-F486 HydrophobicContact CB-CD1 4.18Å; W467-F486 HydrophobicContact CB-CE1 4.46Å; W467-F486 HydrophobicContact CE3-CB 3.59Å; W467-F486 AromaticContact CE3-CD1 3.76Å; W467-F486 HydrophobicContact CE3-CD1 3.76Å; W467-F486 HydrophobicContact CE3-CD2 4.2Å; W467-F486 HydrophobicContact CE3-CE1 4.5Å; W467-F486 AromaticContact CE3-CG 3.57Å; W467-F486 HydrophobicContact CE3-CG 3.57Å; W467-F486 HydrophobicContact CZ3-CB 3.66Å; W467-F486 HydrophobicContact CZ3-CD2 4.33Å; W467-F486 AromaticContact CZ3-CG 3.95Å; W467-F486 HydrophobicContact CZ3-CG 3.95Å
468S91.8Very high89.9Confident31 Ų3138.8 Ų38.822%0.21719%0.187CC..G310 helixtrans-54.2-30.3179.768.50000114.6D257 S260 K265 Y466D257-S468 WeakPolarHBondContact CB-O 3.44Å; D257-S468 PolarHBondContact N-O 3.04Å; S260-S468 PolarHBondContact OG-OG 3.35Å; K265-S468 PolarHBondContact NZ-OG 3.43Å; Y466-S468 VanDerWaalsContact C-N 3.27Å; Y466-S468 PolarHBondContact O-N 3.19Å
469N92.2Very high89.2Confident5 Ų541 Ų413%0.02720%0.201CC..G310 helixtrans-104.2-5.6-178.7-70.8-10.6000113.1S260 K265 D433 D436 Y466 W467 C471S260-N469 VanDerWaalsContact CB-OD1 3.32Å; S260-N469 WeakPolarHBondContact CB-OD1 3.45Å; S260-N469 PolarHBondContact OG-OD1 2.67Å; K265-N469 VanDerWaalsContact NZ-CG 3.33Å; K265-N469 PolarHBondContact NZ-ND2 3.31Å; D433-N469 HydrophobicContact CB-CB 4.29Å; D433-N469 PolarHBondContact OD2-ND2 3.2Å; D436-N469 VanDerWaalsContact CB-O 3.27Å; D436-N469 WeakPolarHBondContact CB-O 3.4Å; Y466-N469 CarbonylContact O-C 3.49Å; Y466-N469 PolarHBondContact O-N 2.84Å; W467-N469 PolarHBondContact O-N 3.39Å; N469-C471 PolarHBondContact O-N 3.42Å
470F94.9Very high88.7Confident0 Ų043.8 Ų43.80%023%0.23CC..  trans-74119.1-179.7-179.5-119.1000110.4F256 D436 Y466 W467 G472 Q473 L476 F486 V541 A544 R545F256-F470 WeakPolarHBondContact CD1-O 3.46Å; D436-F470 VanDerWaalsContact OD1-CD2 3.29Å; D436-F470 WeakPolarHBondContact OD1-CD2 3.33Å; Y466-F470 PolarHBondContact O-N 3.45Å; W467-F470 HydrophobicContact CE3-CD1 4.29Å; W467-F470 HydrophobicContact CZ3-CD1 4.26Å; W467-F470 WeakPolarHBondContact O-CB 3.35Å; W467-F470 PolarHBondContact O-N 3.03Å; F470-G472 VanDerWaalsContact C-N 3.31Å; F470-G472 VanDerWaalsContact CE1-CA 3.44Å; F470-G472 WeakPolarHBondContact CE1-O 3.23Å; F470-G472 PolarHBondContact O-N 3.31Å; F470-Q473 HydrophobicContact CD1-CG 4.27Å; F470-Q473 VanDerWaalsContact O-CG 3.31Å; F470-Q473 WeakPolarHBondContact O-CG 3.4Å; F470-L476 HydrophobicContact CD1-CD1 4.35Å; F470-L476 HydrophobicContact CE1-CD1 3.55Å; F470-L476 HydrophobicContact CE1-CG 4.12Å; F470-L476 HydrophobicContact CZ-CD1 4.27Å; F470-F486 HydrophobicContact CB-CE1 4.4Å; F470-F486 HydrophobicContact CB-CE2 4.2Å; F470-F486 HydrophobicContact CB-CZ 3.85Å; F470-F486 AromaticContact CD1-CD2 3.95Å; F470-F486 HydrophobicContact CD1-CD2 3.95Å; F470-F486 AromaticContact CD1-CE2 3.61Å; F470-F486 HydrophobicContact CD1-CE2 3.61Å; F470-F486 HydrophobicContact CD1-CZ 4.14Å; F470-F486 AromaticContact CD2-CE2 3.68Å; F470-F486 HydrophobicContact CD2-CE2 3.68Å; F470-F486 AromaticContact CD2-CZ 3.89Å; F470-F486 HydrophobicContact CD2-CZ 3.89Å; F470-F486 HydrophobicContact CE1-CD2 4.04Å; F470-F486 AromaticContact CE1-CE2 3.82Å; F470-F486 HydrophobicContact CE1-CE2 3.82Å; F470-F486 AromaticContact CE2-CE2 3.89Å; F470-F486 HydrophobicContact CE2-CE2 3.89Å; F470-F486 HydrophobicContact CG-CD2 4.32Å; F470-F486 AromaticContact CG-CE2 3.53Å; F470-F486 HydrophobicContact CG-CE2 3.53Å; F470-F486 AromaticContact CG-CZ 3.68Å; F470-F486 HydrophobicContact CG-CZ 3.68Å; F470-F486 HydrophobicContact CZ-CD2 4.47Å; F470-F486 AromaticContact CZ-CE2 3.95Å; F470-F486 HydrophobicContact CZ-CE2 3.95Å; F470-V541 HydrophobicContact CD2-CG1 4.48Å; F470-V541 HydrophobicContact CE2-CG1 3.58Å; F470-V541 HydrophobicContact CZ-CG1 3.87Å; F470-V541 WeakPolarHBondContact CZ-O 3.46Å; F470-A544 HydrophobicContact CE1-CB 4.06Å; F470-A544 HydrophobicContact CZ-CB 3.75Å; F470-R545 HydrophobicContact CE2-CG 3.76Å; F470-R545 HydrophobicContact CZ-CG 4.35Å
471C95.1Very high88.7Confident3 Ų343.2 Ų43.22%0.0223%0.225CC..THydrogen-bonded Turntrans-76.5-18.6-174.565.90000113.5F256 N469 Q473 F548F256-C471 HydrophobicContact CD2-CB 3.88Å; F256-C471 HydrophobicContact CE2-CB 4.36Å; F256-C471 HydrophobicContact CG-CB 4.45Å; N469-C471 PolarHBondContact O-N 3.42Å; C471-Q473 VanDerWaalsContact C-N 3.29Å; C471-Q473 PolarHBondContact O-N 3.38Å; C471-F548 HydrophobicContact CB-CB 4.43Å; C471-F548 HydrophobicContact CB-CD1 3.83Å; C471-F548 HydrophobicContact CB-CD2 3.8Å; C471-F548 HydrophobicContact CB-CE1 3.99Å; C471-F548 HydrophobicContact CB-CE2 3.96Å; C471-F548 HydrophobicContact CB-CG 3.73Å; C471-F548 HydrophobicContact CB-CZ 4.05Å; C471-F548 WeakPolarHBondContact O-CD2 3.5Å; C471-F548 VanDerWaalsContact SG-CD1 3.54Å
472G94.4Very high89Confident2 Ų245.5 Ų45.52%0.02124%0.236CC..THydrogen-bonded Turntrans-85.214.6178.300000115F470 E474 A475 L476 A544F470-G472 VanDerWaalsContact C-N 3.31Å; F470-G472 VanDerWaalsContact CE1-CA 3.44Å; F470-G472 WeakPolarHBondContact CE1-O 3.23Å; F470-G472 PolarHBondContact O-N 3.31Å; G472-E474 VanDerWaalsContact C-N 3.29Å; G472-E474 PolarHBondContact O-N 3.05Å; G472-A475 PolarHBondContact O-N 3.32Å; G472-L476 PolarHBondContact O-N 3.43Å; G472-A544 WeakPolarHBondContact CA-O 3.28Å
473Q94.6Very high89.3Confident20 Ų2048.4 Ų48.49%0.09325%0.249CC..Hα-helixtrans-54.2-43.7-177.4-84.7-177.949.900113.1F256 W467 F470 C471 L476 K477F256-Q473 VanDerWaalsContact CD1-NE2 3.34Å; F256-Q473 HydrophobicContact CE1-CB 4.18Å; F256-Q473 HydrophobicContact CE1-CG 4.24Å; F256-Q473 VanDerWaalsContact CE1-NE2 3.33Å; W467-Q473 HydrophobicContact CD2-CG 3.74Å; W467-Q473 HydrophobicContact CE3-CG 3.89Å; W467-Q473 HydrophobicContact CG-CG 4.44Å; W467-Q473 HydrophobicContact CH2-CB 4.18Å; W467-Q473 HydrophobicContact CH2-CG 3.95Å; W467-Q473 HydrophobicContact CZ2-CB 4.18Å; W467-Q473 HydrophobicContact CZ2-CG 3.79Å; W467-Q473 HydrophobicContact CZ3-CG 3.98Å; W467-Q473 PolarHBondContact O-NE2 2.87Å; F470-Q473 HydrophobicContact CD1-CG 4.27Å; F470-Q473 VanDerWaalsContact O-CG 3.31Å; F470-Q473 WeakPolarHBondContact O-CG 3.4Å; C471-Q473 VanDerWaalsContact C-N 3.29Å; C471-Q473 PolarHBondContact O-N 3.38Å; Q473-L476 PolarHBondContact O-N 3.09Å; Q473-K477 WeakPolarHBondContact O-CB 3.32Å; Q473-K477 VanDerWaalsContact O-CG 3.27Å; Q473-K477 WeakPolarHBondContact O-CG 3.36Å; Q473-K477 PolarHBondContact O-N 2.89Å
474E90.7Very high89.9Confident98 Ų9851.4 Ų51.446%0.45826%0.261SS..Hα-helixtrans-63-45.3-177-171.9179.2163.700111.4G472 L476 K477 L478 K551G472-E474 VanDerWaalsContact C-N 3.29Å; G472-E474 PolarHBondContact O-N 3.05Å; E474-L476 PolarHBondContact O-N 2.78Å; E474-K477 PolarHBondContact O-N 3.06Å; E474-L478 WeakPolarHBondContact O-CG 3.43Å; E474-L478 PolarHBondContact O-N 3.4Å; E474-K551 IonicContact OE1-NZ 3.77Å; E474-K551 PolarHBondContact OE1-NZ 3.38Å; E474-K551 IonicContact OE2-NZ 3.68Å; E474-K551 PolarHBondContact OE2-NZ 3.13Å
475A89.7Confident90.5Very high18 Ų1844.4 Ų44.415%0.14924%0.236CC..Hα-helixtrans-60-44.317800000112.1G472 L478 A544G472-A475 PolarHBondContact O-N 3.32Å; A475-L478 PolarHBondContact O-N 3.5Å; A475-A544 HydrophobicContact CB-CB 4.01Å
476L89Confident90.8Very high1 Ų144.4 Ų44.41%0.00524%0.236CC..Hα-helixtrans-68.7-37.3177.4-66.1-174.3000112.5F284 W467 F470 G472 Q473 E474 L478 T479 L481 F486 A544F284-L476 HydrophobicContact CE2-CD2 3.9Å; F284-L476 HydrophobicContact CZ-CD2 4.22Å; W467-L476 HydrophobicContact CH2-CB 4.33Å; W467-L476 HydrophobicContact CZ3-CB 4.42Å; W467-L476 HydrophobicContact CZ3-CD1 4.09Å; F470-L476 HydrophobicContact CD1-CD1 4.35Å; F470-L476 HydrophobicContact CE1-CD1 3.55Å; F470-L476 HydrophobicContact CE1-CG 4.12Å; F470-L476 HydrophobicContact CZ-CD1 4.27Å; G472-L476 PolarHBondContact O-N 3.43Å; Q473-L476 PolarHBondContact O-N 3.09Å; E474-L476 PolarHBondContact O-N 2.78Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.18Å; L476-T479 PolarHBondContact O-N 3.21Å; L476-T479 PolarHBondContact O-OG1 3.19Å; L476-L481 HydrophobicContact CB-CB 4.21Å; L476-L481 HydrophobicContact CD2-CD1 4Å; L476-L481 WeakPolarHBondContact O-CB 3.23Å; L476-L481 PolarHBondContact O-N 2.96Å; L476-F486 HydrophobicContact CD1-CB 4.34Å; L476-F486 HydrophobicContact CD1-CD2 3.79Å; L476-A544 HydrophobicContact CD1-CB 4.45Å; L476-A544 HydrophobicContact CD2-CB 3.82Å; L476-A544 HydrophobicContact CG-CB 3.78Å
477K90.5Very high90.9Very high116 Ų11646.3 Ų46.350%0.50424%0.242SC..Hα-helixtrans-62.6-36.9176.1-74.4172.8-171.51740112W467 Q473 E474 T479 G480 L481W467-K477 HydrophobicContact CH2-CG 4.26Å; W467-K477 HydrophobicContact CZ2-CD 4.4Å; W467-K477 VanDerWaalsContact CZ2-CE 3.44Å; W467-K477 HydrophobicContact CZ2-CG 4.12Å; Q473-K477 WeakPolarHBondContact O-CB 3.32Å; Q473-K477 VanDerWaalsContact O-CG 3.27Å; Q473-K477 WeakPolarHBondContact O-CG 3.36Å; Q473-K477 PolarHBondContact O-N 2.89Å; E474-K477 PolarHBondContact O-N 3.06Å; K477-T479 PolarHBondContact O-N 3.36Å; K477-G480 PolarHBondContact O-N 3.2Å; K477-L481 WeakPolarHBondContact CA-O 3.39Å
478L82.4Confident90.8Very high142 Ų14245.2 Ų45.274%0.74324%0.239SC*.Hα-helixtrans-63.2-26.3177.3-73171.1000112.8E474 A475 L476 G480E474-L478 WeakPolarHBondContact O-CG 3.43Å; E474-L478 PolarHBondContact O-N 3.4Å; A475-L478 PolarHBondContact O-N 3.5Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.18Å; L478-G480 VanDerWaalsContact C-N 3.29Å
479T82.3Confident90.9Very high48 Ų4843.8 Ų43.829%0.29423%0.229SC..THydrogen-bonded Turntrans-90.911.4174.472.50000112.9F284 F288 L476 K477 L481F284-T479 HydrophobicContact CD2-CG2 4.08Å; F284-T479 HydrophobicContact CE2-CG2 3.75Å; F288-T479 HydrophobicContact CD2-CG2 4.11Å; F288-T479 HydrophobicContact CE2-CG2 3.47Å; F288-T479 VanDerWaalsContact CE2-CG2 3.47Å; F288-T479 HydrophobicContact CZ-CG2 3.7Å; L476-T479 PolarHBondContact O-N 3.21Å; L476-T479 PolarHBondContact O-OG1 3.19Å; K477-T479 PolarHBondContact O-N 3.36Å; T479-L481 VanDerWaalsContact C-N 3.29Å; T479-L481 PolarHBondContact O-N 3.12Å; T479-L481 WeakPolarHBondContact OG1-CD1 3.4Å; T479-L481 WeakPolarHBondContact OG1-CG 3.49Å
480G83.6Confident90.9Very high64 Ų6443.6 Ų43.666%0.6623%0.228SC*.THydrogen-bonded Turntrans77.93.9-177.500000115.4K477 L478K477-G480 PolarHBondContact O-N 3.2Å; L478-G480 VanDerWaalsContact C-N 3.29Å
481L89.1Confident90.7Very high9 Ų944 Ų445%0.04723%0.231CC..  trans-83.2142.9180-62171.1000111.2L280 F284 L476 K477 T479 D485 F489L280-L481 HydrophobicContact CB-CD2 4.05Å; L280-L481 HydrophobicContact CD1-CD2 4.32Å; L280-L481 HydrophobicContact CD2-CD2 4.48Å; F284-L481 HydrophobicContact CD2-CD1 3.59Å; F284-L481 HydrophobicContact CE2-CD1 4.15Å; F284-L481 HydrophobicContact CG-CD1 4.29Å; L476-L481 HydrophobicContact CB-CB 4.21Å; L476-L481 HydrophobicContact CD2-CD1 4Å; L476-L481 WeakPolarHBondContact O-CB 3.23Å; L476-L481 PolarHBondContact O-N 2.96Å; K477-L481 WeakPolarHBondContact CA-O 3.39Å; T479-L481 VanDerWaalsContact C-N 3.29Å; T479-L481 PolarHBondContact O-N 3.12Å; T479-L481 WeakPolarHBondContact OG1-CD1 3.4Å; T479-L481 WeakPolarHBondContact OG1-CG 3.49Å; L481-D485 HydrophobicContact CB-CB 4.31Å; L481-D485 HydrophobicContact CD2-CB 3.89Å; L481-F489 HydrophobicContact CD1-CE2 3.74Å; L481-F489 HydrophobicContact CD1-CZ 3.77Å; L481-F489 HydrophobicContact CD2-CZ 4.1Å
482N90.9Very high90.4Very high77 Ų7743.9 Ų43.941%0.41223%0.23SC..  trans-117.3-175.4-179.967.364.5000112.6K484 D485 F486N482-K484 VanDerWaalsContact C-N 3.31Å; N482-K484 PolarHBondContact O-N 3.25Å; N482-K484 WeakPolarHBondContact OD1-CA 3.24Å; N482-K484 VanDerWaalsContact OD1-CB 3.28Å; N482-K484 WeakPolarHBondContact OD1-CB 3.27Å; N482-K484 PolarHBondContact OD1-N 3.23Å; N482-D485 PolarHBondContact N-OD2 2.95Å; N482-D485 PolarHBondContact ND2-OD2 3.23Å; N482-D485 PolarHBondContact O-N 3Å; N482-D485 PolarHBondContact OD1-N 2.79Å; N482-D485 PolarHBondContact OD1-OD2 3.24Å; N482-F486 PolarHBondContact O-N 2.81Å
483E93.1Very high90.3Very high68 Ų6844 Ų4432%0.31823%0.23SC..Hα-helixtrans-56.7-39.5179.5171.9163.5-163.100113.7W467 D485 F486 R487W467-E483 HydrophobicContact CB-CB 4.12Å; W467-E483 HydrophobicContact CB-CG 3.57Å; W467-E483 WeakPolarHBondContact CB-OE1 3.43Å; W467-E483 HydrophobicContact CD2-CB 3.86Å; W467-E483 HydrophobicContact CD2-CG 4.31Å; W467-E483 HydrophobicContact CG-CB 3.64Å; W467-E483 HydrophobicContact CG-CG 3.66Å; E483-D485 VanDerWaalsContact C-N 3.33Å; E483-F486 PolarHBondContact O-N 2.89Å; E483-R487 WeakPolarHBondContact O-CG 3.45Å; E483-R487 PolarHBondContact O-N 2.87Å; E483-R487 IonicContact OE1-CZ 3.94Å; E483-R487 VanDerWaalsContact OE1-CZ 3.27Å; E483-R487 IonicContact OE1-NE 3.37Å; E483-R487 PolarHBondContact OE1-NE 3.02Å; E483-R487 IonicContact OE1-NH2 3.11Å; E483-R487 PolarHBondContact OE1-NH2 3.12Å
484K92.4Very high89.9Confident142 Ų14244 Ų4462%0.61723%0.232SC*.Hα-helixtrans-66.3-40.7-179.8-63.2-179.2178.9176.40110.5N482 R487 A488N482-K484 VanDerWaalsContact C-N 3.31Å; N482-K484 PolarHBondContact O-N 3.25Å; N482-K484 WeakPolarHBondContact OD1-CA 3.24Å; N482-K484 VanDerWaalsContact OD1-CB 3.28Å; N482-K484 WeakPolarHBondContact OD1-CB 3.27Å; N482-K484 PolarHBondContact OD1-N 3.23Å; K484-R487 PolarHBondContact O-N 2.9Å; K484-A488 PolarHBondContact O-N 3.02Å
485D93.2Very high89.7Confident14 Ų1441.2 Ų41.28%0.07522%0.218CC..Hα-helixtrans-67.2-43.8178.3-48.7-42.1000110.4L481 N482 E483 R487 A488 F489L481-D485 HydrophobicContact CB-CB 4.31Å; L481-D485 HydrophobicContact CD2-CB 3.89Å; N482-D485 PolarHBondContact N-OD2 2.95Å; N482-D485 PolarHBondContact ND2-OD2 3.23Å; N482-D485 PolarHBondContact O-N 3Å; N482-D485 PolarHBondContact OD1-N 2.79Å; N482-D485 PolarHBondContact OD1-OD2 3.24Å; E483-D485 VanDerWaalsContact C-N 3.33Å; D485-R487 VanDerWaalsContact C-N 3.34Å; D485-R487 PolarHBondContact O-N 2.87Å; D485-A488 CarbonylContact O-C 3.53Å; D485-A488 WeakPolarHBondContact O-CA 3.47Å; D485-A488 WeakPolarHBondContact O-CB 3.38Å; D485-A488 PolarHBondContact O-N 3.28Å; D485-A488 VanDerWaalsContact O-N 3.11Å; D485-F489 WeakPolarHBondContact O-CD1 3.28Å; D485-F489 WeakPolarHBondContact O-CG 3.34Å; D485-F489 PolarHBondContact O-N 3.35Å
486F94Very high89.3Confident1 Ų141.1 Ų41.10%0.00422%0.216CC..Hα-helixtrans-57.1-43.9172.9169.8-98.7000113C465 W467 F470 L476 N482 E483 A488 F489 C490 V541C465-F486 HydrophobicContact CB-CE1 4.24Å; C465-F486 HydrophobicContact CB-CZ 3.65Å; W467-F486 HydrophobicContact CB-CD1 4.18Å; W467-F486 HydrophobicContact CB-CE1 4.46Å; W467-F486 HydrophobicContact CE3-CB 3.59Å; W467-F486 AromaticContact CE3-CD1 3.76Å; W467-F486 HydrophobicContact CE3-CD1 3.76Å; W467-F486 HydrophobicContact CE3-CD2 4.2Å; W467-F486 HydrophobicContact CE3-CE1 4.5Å; W467-F486 AromaticContact CE3-CG 3.57Å; W467-F486 HydrophobicContact CE3-CG 3.57Å; W467-F486 HydrophobicContact CZ3-CB 3.66Å; W467-F486 HydrophobicContact CZ3-CD2 4.33Å; W467-F486 AromaticContact CZ3-CG 3.95Å; W467-F486 HydrophobicContact CZ3-CG 3.95Å; F470-F486 HydrophobicContact CB-CE1 4.4Å; F470-F486 HydrophobicContact CB-CE2 4.2Å; F470-F486 HydrophobicContact CB-CZ 3.85Å; F470-F486 AromaticContact CD1-CD2 3.95Å; F470-F486 HydrophobicContact CD1-CD2 3.95Å; F470-F486 AromaticContact CD1-CE2 3.61Å; F470-F486 HydrophobicContact CD1-CE2 3.61Å; F470-F486 HydrophobicContact CD1-CZ 4.14Å; F470-F486 AromaticContact CD2-CE2 3.68Å; F470-F486 HydrophobicContact CD2-CE2 3.68Å; F470-F486 AromaticContact CD2-CZ 3.89Å; F470-F486 HydrophobicContact CD2-CZ 3.89Å; F470-F486 HydrophobicContact CE1-CD2 4.04Å; F470-F486 AromaticContact CE1-CE2 3.82Å; F470-F486 HydrophobicContact CE1-CE2 3.82Å; F470-F486 AromaticContact CE2-CE2 3.89Å; F470-F486 HydrophobicContact CE2-CE2 3.89Å; F470-F486 HydrophobicContact CG-CD2 4.32Å; F470-F486 AromaticContact CG-CE2 3.53Å; F470-F486 HydrophobicContact CG-CE2 3.53Å; F470-F486 AromaticContact CG-CZ 3.68Å; F470-F486 HydrophobicContact CG-CZ 3.68Å; F470-F486 HydrophobicContact CZ-CD2 4.47Å; F470-F486 AromaticContact CZ-CE2 3.95Å; F470-F486 HydrophobicContact CZ-CE2 3.95Å; L476-F486 HydrophobicContact CD1-CB 4.34Å; L476-F486 HydrophobicContact CD1-CD2 3.79Å; N482-F486 PolarHBondContact O-N 2.81Å; E483-F486 PolarHBondContact O-N 2.89Å; F486-A488 VanDerWaalsContact C-N 3.32Å; F486-A488 PolarHBondContact O-N 3.32Å; F486-F489 WeakPolarHBondContact O-CB 3.3Å; F486-F489 PolarHBondContact O-N 3.06Å; F486-C490 WeakPolarHBondContact CZ-SG 3.4Å; F486-C490 PolarHBondContact O-N 3.08Å; F486-C490 PolarHBondContact O-SG 3.28Å; F486-V541 HydrophobicContact CD2-CG2 4.37Å; F486-V541 HydrophobicContact CE2-CG1 4.1Å; F486-V541 HydrophobicContact CE2-CG2 4.26Å
487R91.7Very high88.6Confident89 Ų8943.6 Ų43.634%0.33623%0.229SC..Hα-helixtrans-64.3-38176.1-74.4-179.4-173.4-170.11.7111.8E483 K484 D485 C490 T491E483-R487 WeakPolarHBondContact O-CG 3.45Å; E483-R487 PolarHBondContact O-N 2.87Å; E483-R487 IonicContact OE1-CZ 3.94Å; E483-R487 VanDerWaalsContact OE1-CZ 3.27Å; E483-R487 IonicContact OE1-NE 3.37Å; E483-R487 PolarHBondContact OE1-NE 3.02Å; E483-R487 IonicContact OE1-NH2 3.11Å; E483-R487 PolarHBondContact OE1-NH2 3.12Å; K484-R487 PolarHBondContact O-N 2.9Å; D485-R487 VanDerWaalsContact C-N 3.34Å; D485-R487 PolarHBondContact O-N 2.87Å; R487-C490 PolarHBondContact O-N 2.68Å; R487-T491 PolarHBondContact O-N 3.42Å; R487-T491 PolarHBondContact O-OG1 2.9Å
488A91.9Very high87.1Confident2 Ų241 Ų412%0.01723%0.225CC..Hα-helixtrans-62.9-44.9172.200000110.7V273 Q277 K484 D485 F486 C490 T491 M492V273-A488 HydrophobicContact CG2-CB 4.31Å; Q277-A488 HydrophobicContact CB-CB 3.99Å; Q277-A488 VanDerWaalsContact CD-CB 3.49Å; Q277-A488 HydrophobicContact CG-CB 4.04Å; K484-A488 PolarHBondContact O-N 3.02Å; D485-A488 CarbonylContact O-C 3.53Å; D485-A488 WeakPolarHBondContact O-CA 3.47Å; D485-A488 WeakPolarHBondContact O-CB 3.38Å; D485-A488 PolarHBondContact O-N 3.28Å; D485-A488 VanDerWaalsContact O-N 3.11Å; F486-A488 VanDerWaalsContact C-N 3.32Å; F486-A488 PolarHBondContact O-N 3.32Å; A488-C490 VanDerWaalsContact C-N 3.33Å; A488-C490 PolarHBondContact O-N 2.92Å; A488-T491 CarbonylContact O-C 3.6Å; A488-T491 WeakPolarHBondContact O-CA 3.27Å; A488-T491 WeakPolarHBondContact O-CB 3.28Å; A488-T491 PolarHBondContact O-N 2.9Å; A488-M492 HydrophobicContact CB-CE 4.28Å; A488-M492 WeakPolarHBondContact O-CG 3.36Å; A488-M492 PolarHBondContact O-N 3.4Å
489F93.5Very high85.6Confident0 Ų037.6 Ų37.60%023%0.225CC..Hα-helixtrans-60.4-43177.1-73.523.9000111.1L281 L481 D485 F486 T491 M492 A493 A537 A540 V541L281-F489 VanDerWaalsContact CA-CZ 3.5Å; L281-F489 HydrophobicContact CB-CD1 4.19Å; L281-F489 HydrophobicContact CB-CE1 3.54Å; L281-F489 HydrophobicContact CB-CE2 4.41Å; L281-F489 HydrophobicContact CB-CZ 3.67Å; L281-F489 HydrophobicContact CD1-CD1 4.38Å; L281-F489 HydrophobicContact CD1-CD2 3.86Å; L281-F489 HydrophobicContact CD1-CE1 4.15Å; L281-F489 HydrophobicContact CD1-CE2 3.58Å; L281-F489 HydrophobicContact CD1-CG 4.25Å; L281-F489 HydrophobicContact CD1-CZ 3.74Å; L281-F489 HydrophobicContact CG-CE1 4.35Å; L281-F489 HydrophobicContact CG-CZ 4.3Å; L481-F489 HydrophobicContact CD1-CE2 3.74Å; L481-F489 HydrophobicContact CD1-CZ 3.77Å; L481-F489 HydrophobicContact CD2-CZ 4.1Å; D485-F489 WeakPolarHBondContact O-CD1 3.28Å; D485-F489 WeakPolarHBondContact O-CG 3.34Å; D485-F489 PolarHBondContact O-N 3.35Å; F486-F489 WeakPolarHBondContact O-CB 3.3Å; F486-F489 PolarHBondContact O-N 3.06Å; F489-T491 VanDerWaalsContact C-N 3.25Å; F489-T491 PolarHBondContact O-N 2.88Å; F489-M492 HydrophobicContact CD1-CE 3.31Å; F489-M492 HydrophobicContact CE1-CE 3.81Å; F489-M492 HydrophobicContact CG-CE 4.22Å; F489-M492 PolarHBondContact O-N 3.23Å; F489-A493 WeakPolarHBondContact O-CB 3.04Å; F489-A493 PolarHBondContact O-N 2.99Å; F489-A537 HydrophobicContact CB-CB 4.5Å; F489-A537 WeakPolarHBondContact O-CB 3.49Å; F489-A540 HydrophobicContact CD2-CB 3.99Å; F489-A540 HydrophobicContact CE2-CB 3.96Å; F489-V541 HydrophobicContact CB-CG2 4.1Å; F489-V541 HydrophobicContact CD2-CG2 4.49Å
490C92.1Very high84.1Confident1 Ų138.3 Ų38.31%0.00723%0.227CC..Hα-helixtrans-61.9-33.3174.9-70.10000112.7F268 L462 F486 R487 A488F268-C490 HydrophobicContact CZ-CB 4.16Å; L462-C490 HydrophobicContact CB-CB 4.16Å; F486-C490 WeakPolarHBondContact CZ-SG 3.4Å; F486-C490 PolarHBondContact O-N 3.08Å; F486-C490 PolarHBondContact O-SG 3.28Å; R487-C490 PolarHBondContact O-N 2.68Å; A488-C490 VanDerWaalsContact C-N 3.33Å; A488-C490 PolarHBondContact O-N 2.92Å
491T89.7Confident82.1Confident10 Ų1037.8 Ų37.86%0.06122%0.221CC..Hα-helixtrans-72.7-47.6174.4-58.40000111R270 V273 R487 A488 F489 A493 S494R270-T491 HydrophobicContact CB-CG2 4.5Å; V273-T491 HydrophobicContact CG2-CG2 3.9Å; R487-T491 PolarHBondContact O-N 3.42Å; R487-T491 PolarHBondContact O-OG1 2.9Å; A488-T491 CarbonylContact O-C 3.6Å; A488-T491 WeakPolarHBondContact O-CA 3.27Å; A488-T491 WeakPolarHBondContact O-CB 3.28Å; A488-T491 PolarHBondContact O-N 2.9Å; F489-T491 VanDerWaalsContact C-N 3.25Å; F489-T491 PolarHBondContact O-N 2.88Å; T491-A493 VanDerWaalsContact C-N 3.29Å; T491-A493 PolarHBondContact O-N 3.46Å; T491-S494 WeakPolarHBondContact O-CB 3.32Å; T491-S494 PolarHBondContact O-N 3.17Å; T491-S494 PolarHBondContact O-OG 3.43Å
492M90.4Very high79.9Confident0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-57.8-40.9176.6-69.5-167.4-84.900111.7V273 V278 L281 A488 F489 S494 W495 V533 G534 A537V273-M492 HydrophobicContact CG1-CE 4.34Å; V273-M492 HydrophobicContact CG1-CG 3.9Å; V273-M492 HydrophobicContact CG1-SD 3.82Å; V273-M492 HydrophobicContact CG2-CG 4Å; V278-M492 HydrophobicContact CB-SD 4.49Å; V278-M492 HydrophobicContact CG2-SD 3.78Å; L281-M492 HydrophobicContact CB-CE 3.89Å; L281-M492 HydrophobicContact CD2-CB 4.47Å; L281-M492 HydrophobicContact CD2-CE 3.62Å; L281-M492 HydrophobicContact CD2-SD 3.68Å; L281-M492 HydrophobicContact CG-CE 4.38Å; A488-M492 HydrophobicContact CB-CE 4.28Å; A488-M492 WeakPolarHBondContact O-CG 3.36Å; A488-M492 PolarHBondContact O-N 3.4Å; F489-M492 HydrophobicContact CD1-CE 3.31Å; F489-M492 HydrophobicContact CE1-CE 3.81Å; F489-M492 HydrophobicContact CG-CE 4.22Å; F489-M492 PolarHBondContact O-N 3.23Å; M492-S494 PolarHBondContact O-N 3.03Å; M492-W495 HydrophobicContact CB-CD2 4.24Å; M492-W495 HydrophobicContact CB-CE3 3.97Å; M492-W495 HydrophobicContact CB-CH2 4.45Å; M492-W495 HydrophobicContact CB-CZ3 4.11Å; M492-W495 HydrophobicContact CG-CD2 4.32Å; M492-W495 HydrophobicContact CG-CE3 3.92Å; M492-W495 HydrophobicContact CG-CH2 3.54Å; M492-W495 HydrophobicContact CG-CZ2 3.92Å; M492-W495 HydrophobicContact CG-CZ3 3.53Å; M492-W495 WeakPolarHBondContact O-CB 3.21Å; M492-W495 PolarHBondContact O-N 3.2Å; M492-W495 HydrophobicContact SD-CH2 4.13Å; M492-W495 HydrophobicContact SD-CZ3 3.94Å; M492-V533 HydrophobicContact CB-CG1 4.25Å; M492-V533 HydrophobicContact CG-CG1 4.28Å; M492-V533 HydrophobicContact SD-CG1 3.63Å; M492-G534 WeakPolarHBondContact O-CA 3.42Å; M492-A537 HydrophobicContact CB-CB 3.77Å
493A90.7Very high78Confident3 Ų349.6 Ų49.63%0.02528%0.282CS..THydrogen-bonded Turntrans-57.4-21.6176.600000114.4L462 F489 T491 W495 S496 G534 A537 K538L462-A493 HydrophobicContact CB-CB 4.26Å; L462-A493 HydrophobicContact CD1-CB 3.67Å; L462-A493 HydrophobicContact CG-CB 4.23Å; F489-A493 WeakPolarHBondContact O-CB 3.04Å; F489-A493 PolarHBondContact O-N 2.99Å; T491-A493 VanDerWaalsContact C-N 3.29Å; T491-A493 PolarHBondContact O-N 3.46Å; A493-W495 VanDerWaalsContact C-N 3.3Å; A493-S496 PolarHBondContact O-OG 2.94Å; A493-G534 WeakPolarHBondContact CA-O 3.37Å; A493-A537 HydrophobicContact CB-CB 4.08Å; A493-K538 HydrophobicContact CB-CG 3.66Å; A493-K538 VanDerWaalsContact O-CE 3.27Å; A493-K538 WeakPolarHBondContact O-CE 3.3Å
494S86.6Confident76.5Confident20 Ų2048 Ų4814%0.1428%0.278CS..THydrogen-bonded Turntrans-76.2-18.3174.576.20000113.4T491 M492 S496 N497 S498T491-S494 WeakPolarHBondContact O-CB 3.32Å; T491-S494 PolarHBondContact O-N 3.17Å; T491-S494 PolarHBondContact O-OG 3.43Å; M492-S494 PolarHBondContact O-N 3.03Å; S494-S496 VanDerWaalsContact C-N 3.32Å; S494-S496 PolarHBondContact O-N 3.4Å; S494-N497 PolarHBondContact O-N 2.81Å; S494-N497 VanDerWaalsContact O-N 3.12Å; S494-S498 PolarHBondContact O-N 3.48Å; S494-S498 PolarHBondContact O-OG 2.83Å
495W86.2Confident75.2Confident41 Ų4147.4 Ų47.416%0.15528%0.278CS..G310 helixtrans-66.6-34.1-178-59.1-14.7000112V273 V278 M492 A493 N497 L500 I508 L530 V533V273-W495 HydrophobicContact CB-CH2 3.98Å; V273-W495 HydrophobicContact CB-CZ2 3.96Å; V273-W495 HydrophobicContact CG1-CH2 3.88Å; V273-W495 HydrophobicContact CG1-CZ2 4.34Å; V273-W495 HydrophobicContact CG2-CH2 4.19Å; V273-W495 HydrophobicContact CG2-CZ2 3.82Å; V278-W495 HydrophobicContact CG2-CH2 4.4Å; M492-W495 HydrophobicContact CB-CD2 4.24Å; M492-W495 HydrophobicContact CB-CE3 3.97Å; M492-W495 HydrophobicContact CB-CH2 4.45Å; M492-W495 HydrophobicContact CB-CZ3 4.11Å; M492-W495 HydrophobicContact CG-CD2 4.32Å; M492-W495 HydrophobicContact CG-CE3 3.92Å; M492-W495 HydrophobicContact CG-CH2 3.54Å; M492-W495 HydrophobicContact CG-CZ2 3.92Å; M492-W495 HydrophobicContact CG-CZ3 3.53Å; M492-W495 WeakPolarHBondContact O-CB 3.21Å; M492-W495 PolarHBondContact O-N 3.2Å; M492-W495 HydrophobicContact SD-CH2 4.13Å; M492-W495 HydrophobicContact SD-CZ3 3.94Å; A493-W495 VanDerWaalsContact C-N 3.3Å; W495-N497 PolarHBondContact O-N 3.3Å; W495-L500 HydrophobicContact CB-CD1 4.33Å; W495-I508 HydrophobicContact CH2-CD1 3.6Å; W495-I508 HydrophobicContact CZ3-CD1 3.81Å; W495-L530 HydrophobicContact CB-CB 4.14Å; W495-L530 WeakPolarHBondContact CB-O 3.27Å; W495-L530 HydrophobicContact CD2-CD2 3.75Å; W495-L530 HydrophobicContact CE3-CB 4.29Å; W495-L530 HydrophobicContact CE3-CD2 3.31Å; W495-L530 HydrophobicContact CE3-CG 4.43Å; W495-L530 HydrophobicContact CG-CD2 4.47Å; W495-L530 HydrophobicContact CH2-CD2 3.98Å; W495-L530 HydrophobicContact CZ2-CD2 4.39Å; W495-L530 HydrophobicContact CZ3-CD2 3.41Å; W495-L530 VanDerWaalsContact CZ3-CD2 3.41Å; W495-V533 HydrophobicContact CE3-CB 4.11Å; W495-V533 HydrophobicContact CE3-CG1 3.73Å; W495-V533 HydrophobicContact CZ3-CB 4.25Å; W495-V533 HydrophobicContact CZ3-CG1 3.57Å
496S82.3Confident74.2Confident16 Ų1648.3 Ų48.311%0.11229%0.285CS..G310 helixtrans-66.1-19.8174.173.10000114A493 S494 K538A493-S496 PolarHBondContact O-OG 2.94Å; S494-S496 VanDerWaalsContact C-N 3.32Å; S494-S496 PolarHBondContact O-N 3.4Å; S496-K538 WeakPolarHBondContact OG-CE 3.21Å; S496-K538 PolarHBondContact OG-NZ 3.46Å
497N73.3Confident73.1Confident52 Ų5251.2 Ų51.228%0.27830%0.3SS..G310 helixtrans-102.4-16.7-173-71.88.5000113.2S494 W495 G499 K538 P568 E569S494-N497 PolarHBondContact O-N 2.81Å; S494-N497 VanDerWaalsContact O-N 3.12Å; W495-N497 PolarHBondContact O-N 3.3Å; N497-G499 VanDerWaalsContact C-N 3.25Å; N497-G499 PolarHBondContact O-N 3.12Å; N497-K538 PolarHBondContact OD1-NZ 2.86Å; N497-P568 WeakPolarHBondContact OD1-CB 3.48Å; N497-P568 WeakPolarHBondContact OD1-CG 3.49Å; N497-E569 VanDerWaalsContact CG-OE1 3.27Å; N497-E569 PolarHBondContact ND2-OE1 3.37Å; N497-E569 PolarHBondContact OD1-OE1 2.93Å
498S60.1Low72.3Confident62 Ų6247.7 Ų47.743%0.43429%0.288SS..SBendtrans-83.44.6-162-63.90000114.3S494 L500S494-S498 PolarHBondContact O-N 3.48Å; S494-S498 PolarHBondContact O-OG 2.83Å; S498-L500 PolarHBondContact O-N 2.97Å
499G51.2Low71.2Confident71 Ų7150.3 Ų50.373%0.73230%0.3SS*.  trans52.643.4-178.900000111.1N497 G501N497-G499 VanDerWaalsContact C-N 3.25Å; N497-G499 PolarHBondContact O-N 3.12Å; G499-G501 PolarHBondContact O-N 3.02Å
500L50.3Low70.1Confident63 Ų6350.3 Ų50.333%0.3330%0.3SS..  trans-52.1125.4168.3-66.5163.2000105.4W495 S498 C504 L530W495-L500 HydrophobicContact CB-CD1 4.33Å; S498-L500 PolarHBondContact O-N 2.97Å; L500-C504 PolarHBondContact O-SG 3.28Å; L500-L530 HydrophobicContact CD1-CB 3.5Å; L500-L530 HydrophobicContact CD1-CD1 3.66Å; L500-L530 HydrophobicContact CD1-CG 4.26Å; L500-L530 HydrophobicContact CD2-CD1 4.4Å
501G40.7Very low69Low53 Ų5353.7 Ų53.755%0.54633%0.328SS..  trans-65-158.7-171.300000112.8G499 T503 C504G499-G501 PolarHBondContact O-N 3.02Å; G501-T503 CarbonylContact O-C 3.56Å; G501-T503 PolarHBondContact O-N 3.24Å; G501-C504 PolarHBondContact O-N 3.42Å; G501-C504 PolarHBondContact O-SG 3.45Å
502E43.1Very low68Low212 Ų21256 Ų5699%0.99135%0.347SS*.SBendtrans-53.8-13.3-176.8-68.7171.6168.600115.1
503T51.8Low67.1Low121 Ų12156.5 Ų56.574%0.74235%0.351SS*.  trans-113.288.6167.460.90000110.2G501G501-T503 CarbonylContact O-C 3.56Å; G501-T503 PolarHBondContact O-N 3.24Å
504C62.4Low66Low36 Ų3662 Ų6224%0.24338%0.379CS..  trans-78.8-3.8173.3-79.10000113.3L500 G501 L530 V531L500-C504 PolarHBondContact O-SG 3.28Å; G501-C504 PolarHBondContact O-N 3.42Å; G501-C504 PolarHBondContact O-SG 3.45Å; C504-L530 VanDerWaalsContact O-CB 3.24Å; C504-L530 WeakPolarHBondContact O-CB 2.93Å; C504-L530 WeakPolarHBondContact O-CG 3.15Å; C504-L530 PolarHBondContact O-N 2.92Å; C504-V531 HydrophobicContact CB-CG2 4.01Å; C504-V531 VanDerWaalsContact SG-CG2 3.52Å
505E64.7Low65Low129 Ų12965.7 Ų65.760%0.60341%0.406SS*.EExtended strand (participates in β ladder)trans-89.7143.3178.4-65.5179.4178.100112Y527 V528E505-Y527 HydrophobicContact CB-CD1 4.46Å; E505-V528 VanDerWaalsContact CA-O 3.27Å; E505-V528 WeakPolarHBondContact CA-O 3.38Å
506S72.4Confident63.9Low33 Ų3369.8 Ų69.823%0.23142%0.424CS..EExtended strand (participates in β ladder)trans-140.6141.1170.775.30000111.4I508 V528 L530S506-I508 PolarHBondContact O-N 3Å; S506-V528 PolarHBondContact N-O 3.3Å; S506-V528 PolarHBondContact O-N 3.23Å; S506-V528 VanDerWaalsContact O-N 3.12Å; S506-L530 WeakPolarHBondContact OG-CD1 3.13Å; S506-L530 VanDerWaalsContact OG-CD2 3.23Å; S506-L530 WeakPolarHBondContact OG-CD2 3.06Å; S506-L530 WeakPolarHBondContact OG-CG 3.22Å
507L70.7Confident62.8Low61 Ų6178.8 Ų78.832%0.31947%0.465SS..EExtended strand (participates in β ladder)trans-70.8109.5165.2-178.564.3000108.9Q509 C525 Y527L507-Q509 HydrophobicContact CD2-CG 4.17Å; L507-Q509 HydrophobicContact CG-CG 4.13Å; L507-C525 HydrophobicContact CD1-CB 3.66Å; L507-C525 HydrophobicContact CG-CB 4.42Å; L507-Y527 HydrophobicContact CB-CD2 4.19Å; L507-Y527 HydrophobicContact CB-CE1 4.21Å; L507-Y527 HydrophobicContact CB-CE2 3.8Å; L507-Y527 HydrophobicContact CD1-CD2 3.65Å; L507-Y527 HydrophobicContact CD1-CE2 3.73Å; L507-Y527 HydrophobicContact CD1-CG 4.44Å; L507-Y527 HydrophobicContact CD2-CE2 4.34Å; L507-Y527 HydrophobicContact CG-CD2 4.47Å; L507-Y527 HydrophobicContact CG-CE2 4.16Å
508I73.2Confident61.9Low15 Ų1582.7 Ų82.78%0.07749%0.486CS..EExtended strand (participates in β ladder)trans-90.2113.4169.1-57.5-170.1000108.1A275 V278 W495 S506 C525 A526 V528 L530A275-I508 HydrophobicContact CB-CG2 4.02Å; V278-I508 HydrophobicContact CG1-CD1 4.46Å; V278-I508 HydrophobicContact CG2-CD1 3.5Å; V278-I508 HydrophobicContact CG2-CG2 4.15Å; W495-I508 HydrophobicContact CH2-CD1 3.6Å; W495-I508 HydrophobicContact CZ3-CD1 3.81Å; S506-I508 PolarHBondContact O-N 3Å; I508-C525 WeakPolarHBondContact O-CA 3.33Å; I508-A526 PolarHBondContact N-O 3.27Å; I508-A526 PolarHBondContact O-N 3.3Å; I508-V528 HydrophobicContact CD1-CG2 3.58Å; I508-V528 HydrophobicContact CG1-CG2 3.89Å; I508-L530 HydrophobicContact CD1-CD2 4.16Å
509Q69.6Low61.6Low57 Ų5789.8 Ų89.827%0.26650%0.503SS..  trans-83.5142.3-176.4-63.4177.6-52.400111.4L507 C513 L514 C525L507-Q509 HydrophobicContact CD2-CG 4.17Å; L507-Q509 HydrophobicContact CG-CG 4.13Å; Q509-C513 HydrophobicContact CB-CB 4.19Å; Q509-L514 HydrophobicContact CB-CD1 4.24Å; Q509-C525 VanDerWaalsContact CA-SG 3.57Å
510C70.7Confident61.6Low1 Ų189.9 Ų89.91%0.00749%0.493CS..  trans-70161.1168.777.20000110.6A275 A512 C513 L514 Q524A275-C510 HydrophobicContact CB-CB 4.21Å; C510-A512 PolarHBondContact O-N 3.23Å; C510-A512 VanDerWaalsContact O-N 3.12Å; C510-C513 PolarHBondContact O-N 3.39Å; C510-L514 PolarHBondContact O-N 3.17Å; C510-Q524 HydrophobicContact CB-CB 3.84Å
511A68.7Low61.9Low72 Ų7296.4 Ų96.460%0.59551%0.514SS*.Hα-helixtrans-54.6-36.1-176.900000113.1C513A511-C513 PolarHBondContact O-N 3.15Å
512A68.5Low63.1Low57 Ų5795.4 Ų95.447%0.47150%0.499SS..Hα-helixtrans-71.2-26.2178.900000114.1C510 S515C510-A512 PolarHBondContact O-N 3.23Å; C510-A512 VanDerWaalsContact O-N 3.12Å; A512-S515 PolarHBondContact O-OG 2.93Å
513C71.3Confident64.2Low12 Ų1297 Ų978%0.08150%0.496CS..Hα-helixtrans-90.3-28.4176.8-74.20000112.4Q509 C510 A511 S515 K516 C522Q509-C513 HydrophobicContact CB-CB 4.19Å; C510-C513 PolarHBondContact O-N 3.39Å; A511-C513 PolarHBondContact O-N 3.15Å; C513-S515 PolarHBondContact O-N 2.95Å; C513-K516 PolarHBondContact O-N 3.01Å; C513-C522 WeakPolarHBondContact SG-CB 3.34Å; C513-C522 VanDerWaalsContact SG-SG 3.61Å
514L67.6Low64.6Low117 Ų11796.4 Ų96.461%0.61348%0.484SS*.Hα-helixtrans-62.5-24.5179-146.4128.9000112.2Q509 C510Q509-L514 HydrophobicContact CB-CD1 4.24Å; C510-L514 PolarHBondContact O-N 3.17Å
515S66.6Low64.8Low99 Ų9995.7 Ų95.769%0.69248%0.479SS*.THydrogen-bonded Turntrans-91.7-0.517668.40000114.6A512 C513A512-S515 PolarHBondContact O-OG 2.93Å; C513-S515 PolarHBondContact O-N 2.95Å
516K63.7Low64.8Low126 Ų12690.8 Ų90.855%0.54846%0.461SS..  trans-104.6134.5-179.7-66.9-176.9-178.9-174.80109.5C513 D518C513-K516 PolarHBondContact O-N 3.01Å; K516-D518 PolarHBondContact O-N 3.41Å
517E58.1Low64.9Low206 Ų20695.7 Ų95.796%0.96348%0.475SS*.SBendtrans-70.1-21.3176.5-68.1-178.8165.600112.3
518D53.8Low65.2Low134 Ų13493.4 Ų93.472%0.71746%0.464SS*.SBendtrans-97.6130.6-173.2-145.9-9.9000112.6K516 S520K516-D518 PolarHBondContact O-N 3.41Å; D518-S520 PolarHBondContact O-N 2.73Å
519R54.7Low65.8Low210 Ų21096 Ų9679%0.79248%0.477SS*.  trans-83.543.7-172-61.7-174-168.5-174.43.9112.9Y521R519-Y521 PolarHBondContact O-N 3.17Å
520S50.9Low66.5Low74 Ų7494.1 Ų94.152%0.51747%0.469SS..  trans-65.7131.4178.765.40000110.9D518 C522D518-S520 PolarHBondContact O-N 2.73Å; S520-C522 VanDerWaalsContact C-N 3.35Å; S520-C522 PolarHBondContact O-N 3.37Å
521Y56.2Low67.2Low200 Ų20096.6 Ų96.678%0.78448%0.484SS*.  trans-58.690.6177.1-91.2-99.9000111.2R519R519-Y521 PolarHBondContact O-N 3.17Å
522C65.5Low68.1Low32 Ų3295.9 Ų95.922%0.21647%0.47CS..  trans-81.2129.3171.6168.60000108.7C513 S520 Q524 C525C513-C522 WeakPolarHBondContact SG-CB 3.34Å; C513-C522 VanDerWaalsContact SG-SG 3.61Å; S520-C522 VanDerWaalsContact C-N 3.35Å; S520-C522 PolarHBondContact O-N 3.37Å; C522-Q524 PolarHBondContact O-N 3.31Å; C522-Q524 VanDerWaalsContact SG-CB 3.53Å; C522-Q524 PolarHBondContact SG-N 3.13Å; C522-C525 HydrophobicContact CB-CB 4.41Å; C522-C525 PolarHBondContact O-N 3.15Å
523R66.9Low69.1Low246 Ų24693.2 Ų93.293%0.92845%0.449SS*.THydrogen-bonded Turntrans-59.8-15.2175.2-65.5-173.2-179.8-172.7-0.9113.4
524Q60.4Low70Confident108 Ų10892.7 Ų92.751%0.50545%0.445SS..THydrogen-bonded Turntrans-92.6-8.3174.3-58.8177.5-20.700113.9R279 C510 C522R279-Q524 PolarHBondContact NH1-O 3.09Å; R279-Q524 PolarHBondContact NH2-O 3.4Å; C510-Q524 HydrophobicContact CB-CB 3.84Å; C522-Q524 PolarHBondContact O-N 3.31Å; C522-Q524 VanDerWaalsContact SG-CB 3.53Å; C522-Q524 PolarHBondContact SG-N 3.13Å
525C67.3Low71.1Confident21 Ų2191 Ų9114%0.14243%0.43CS..  trans-83.2152.4167.7-60.80000109.2L507 I508 Q509 C522L507-C525 HydrophobicContact CD1-CB 3.66Å; L507-C525 HydrophobicContact CG-CB 4.42Å; I508-C525 WeakPolarHBondContact O-CA 3.33Å; Q509-C525 VanDerWaalsContact CA-SG 3.57Å; C522-C525 HydrophobicContact CB-CB 4.41Å; C522-C525 PolarHBondContact O-N 3.15Å
526A64.9Low72.3Confident25 Ų2587.7 Ų87.721%0.20740%0.403CS..EExtended strand (participates in β ladder)trans-133.5126.2-179.200000110.2I508 V528I508-A526 PolarHBondContact N-O 3.27Å; I508-A526 PolarHBondContact O-N 3.3Å; A526-V528 HydrophobicContact CB-CG1 3.94Å
527Y73.8Confident73.8Confident136 Ų13681.7 Ų81.753%0.53338%0.377SS..EExtended strand (participates in β ladder)trans-74.6125.5159.2-94.6-88.9000107.7E505 L507E505-Y527 HydrophobicContact CB-CD1 4.46Å; L507-Y527 HydrophobicContact CB-CD2 4.19Å; L507-Y527 HydrophobicContact CB-CE1 4.21Å; L507-Y527 HydrophobicContact CB-CE2 3.8Å; L507-Y527 HydrophobicContact CD1-CD2 3.65Å; L507-Y527 HydrophobicContact CD1-CE2 3.73Å; L507-Y527 HydrophobicContact CD1-CG 4.44Å; L507-Y527 HydrophobicContact CD2-CE2 4.34Å; L507-Y527 HydrophobicContact CG-CD2 4.47Å; L507-Y527 HydrophobicContact CG-CE2 4.16Å
528V77.3Confident75.4Confident14 Ų1472.5 Ų72.59%0.08533%0.334CS..EExtended strand (participates in β ladder)trans-136.1142.9-179.5-61.90000110.6V278 E505 S506 I508 A526 L530 V533V278-V528 HydrophobicContact CG1-CG1 4.06Å; E505-V528 VanDerWaalsContact CA-O 3.27Å; E505-V528 WeakPolarHBondContact CA-O 3.38Å; S506-V528 PolarHBondContact N-O 3.3Å; S506-V528 PolarHBondContact O-N 3.23Å; S506-V528 VanDerWaalsContact O-N 3.12Å; I508-V528 HydrophobicContact CD1-CG2 3.58Å; I508-V528 HydrophobicContact CG1-CG2 3.89Å; A526-V528 HydrophobicContact CB-CG1 3.94Å; V528-L530 HydrophobicContact CG2-CD2 4.23Å; V528-L530 PolarHBondContact O-N 2.8Å; V528-V533 HydrophobicContact CB-CG2 3.86Å; V528-V533 HydrophobicContact CG1-CG2 4.44Å; V528-V533 HydrophobicContact CG2-CG2 4.03Å
529D84.4Confident77.3Confident68 Ų6866.1 Ų66.136%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-68.8109.3163180-14000108.7V531 D532 V533D529-V531 VanDerWaalsContact C-N 3.26Å; D529-V531 PolarHBondContact O-N 3.25Å; D529-V531 WeakPolarHBondContact OD1-CA 3.29Å; D529-V531 WeakPolarHBondContact OD1-CB 3.4Å; D529-V531 PolarHBondContact OD1-N 3.12Å; D529-D532 HydrophobicContact CB-CB 4.02Å; D529-D532 PolarHBondContact O-N 3.45Å; D529-D532 PolarHBondContact OD1-N 3.35Å; D529-V533 WeakPolarHBondContact O-CB 3.43Å; D529-V533 VanDerWaalsContact O-CG2 3.28Å; D529-V533 WeakPolarHBondContact O-CG2 3.29Å; D529-V533 PolarHBondContact O-N 3.11Å
530L84.7Confident79.2Confident19 Ų1956.1 Ų56.110%0.09926%0.262CS..Hα-helixtrans-64.8-29.8-178.7-70177.6000112.7W495 L500 C504 S506 I508 V528 G534W495-L530 HydrophobicContact CB-CB 4.14Å; W495-L530 WeakPolarHBondContact CB-O 3.27Å; W495-L530 HydrophobicContact CD2-CD2 3.75Å; W495-L530 HydrophobicContact CE3-CB 4.29Å; W495-L530 HydrophobicContact CE3-CD2 3.31Å; W495-L530 HydrophobicContact CE3-CG 4.43Å; W495-L530 HydrophobicContact CG-CD2 4.47Å; W495-L530 HydrophobicContact CH2-CD2 3.98Å; W495-L530 HydrophobicContact CZ2-CD2 4.39Å; W495-L530 HydrophobicContact CZ3-CD2 3.41Å; W495-L530 VanDerWaalsContact CZ3-CD2 3.41Å; L500-L530 HydrophobicContact CD1-CB 3.5Å; L500-L530 HydrophobicContact CD1-CD1 3.66Å; L500-L530 HydrophobicContact CD1-CG 4.26Å; L500-L530 HydrophobicContact CD2-CD1 4.4Å; C504-L530 VanDerWaalsContact O-CB 3.24Å; C504-L530 WeakPolarHBondContact O-CB 2.93Å; C504-L530 WeakPolarHBondContact O-CG 3.15Å; C504-L530 PolarHBondContact O-N 2.92Å; S506-L530 WeakPolarHBondContact OG-CD1 3.13Å; S506-L530 VanDerWaalsContact OG-CD2 3.23Å; S506-L530 WeakPolarHBondContact OG-CD2 3.06Å; S506-L530 WeakPolarHBondContact OG-CG 3.22Å; I508-L530 HydrophobicContact CD1-CD2 4.16Å; V528-L530 HydrophobicContact CG2-CD2 4.23Å; V528-L530 PolarHBondContact O-N 2.8Å; L530-G534 PolarHBondContact O-N 2.9Å
531V85.8Confident81.3Confident53 Ų5352.6 Ų52.632%0.32124%0.238SC..Hα-helixtrans-70.2-46.2178.2175.40000109.8C504 D529 G534 R535C504-V531 HydrophobicContact CB-CG2 4.01Å; C504-V531 VanDerWaalsContact SG-CG2 3.52Å; D529-V531 VanDerWaalsContact C-N 3.26Å; D529-V531 PolarHBondContact O-N 3.25Å; D529-V531 WeakPolarHBondContact OD1-CA 3.29Å; D529-V531 WeakPolarHBondContact OD1-CB 3.4Å; D529-V531 PolarHBondContact OD1-N 3.12Å; V531-G534 PolarHBondContact O-N 3.01Å; V531-R535 PolarHBondContact O-N 2.84Å
532D86.9Confident83.2Confident56 Ų5643.2 Ų43.230%0.29920%0.201SC..Hα-helixtrans-63.7-46.8175.9-17858.9000111.6D529 G534 R535 K536D529-D532 HydrophobicContact CB-CB 4.02Å; D529-D532 PolarHBondContact O-N 3.45Å; D529-D532 PolarHBondContact OD1-N 3.35Å; D532-G534 VanDerWaalsContact C-N 3.25Å; D532-G534 PolarHBondContact O-N 3.37Å; D532-R535 WeakPolarHBondContact O-CA 3.41Å; D532-R535 WeakPolarHBondContact O-CB 3.33Å; D532-R535 PolarHBondContact O-N 3.47Å; D532-K536 WeakPolarHBondContact O-CG 3.41Å; D532-K536 PolarHBondContact O-N 2.91Å; D532-K536 WeakPolarHBondContact OD2-CE 3.46Å
533V90.6Very high84.5Confident2 Ų242.6 Ų42.61%0.01220%0.196CC..Hα-helixtrans-56.8-42.3174173.90000111.1V278 L281 L282 M492 W495 V528 D529 R535 K536 A537V278-V533 HydrophobicContact CG1-CG1 4.49Å; V278-V533 HydrophobicContact CG1-CG2 4.41Å; L281-V533 HydrophobicContact CD2-CG1 3.79Å; L282-V533 HydrophobicContact CD2-CG2 4.48Å; M492-V533 HydrophobicContact CB-CG1 4.25Å; M492-V533 HydrophobicContact CG-CG1 4.28Å; M492-V533 HydrophobicContact SD-CG1 3.63Å; W495-V533 HydrophobicContact CE3-CB 4.11Å; W495-V533 HydrophobicContact CE3-CG1 3.73Å; W495-V533 HydrophobicContact CZ3-CB 4.25Å; W495-V533 HydrophobicContact CZ3-CG1 3.57Å; V528-V533 HydrophobicContact CB-CG2 3.86Å; V528-V533 HydrophobicContact CG1-CG2 4.44Å; V528-V533 HydrophobicContact CG2-CG2 4.03Å; D529-V533 WeakPolarHBondContact O-CB 3.43Å; D529-V533 VanDerWaalsContact O-CG2 3.28Å; D529-V533 WeakPolarHBondContact O-CG2 3.29Å; D529-V533 PolarHBondContact O-N 3.11Å; V533-R535 VanDerWaalsContact C-N 3.35Å; V533-R535 PolarHBondContact O-N 3.44Å; V533-K536 PolarHBondContact O-N 2.83Å; V533-A537 WeakPolarHBondContact O-CB 3.26Å; V533-A537 PolarHBondContact O-N 2.91Å
534G90.9Very high85.9Confident0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-63.4-38.3175.500000113.5M492 A493 L530 V531 D532 K538M492-G534 WeakPolarHBondContact O-CA 3.42Å; A493-G534 WeakPolarHBondContact CA-O 3.37Å; L530-G534 PolarHBondContact O-N 2.9Å; V531-G534 PolarHBondContact O-N 3.01Å; D532-G534 VanDerWaalsContact C-N 3.25Å; D532-G534 PolarHBondContact O-N 3.37Å; G534-K538 WeakPolarHBondContact O-CG 3.37Å; G534-K538 PolarHBondContact O-N 3.36Å; G534-K538 VanDerWaalsContact O-N 3.15Å
535R90.4Very high87.6Confident81 Ų8126 Ų2631%0.30613%0.129SC..Hα-helixtrans-64.4-48.6173.8178.3-172.3150-174.7-6.7110.9V531 D532 V533 A537 K538 I539 N564V531-R535 PolarHBondContact O-N 2.84Å; D532-R535 WeakPolarHBondContact O-CA 3.41Å; D532-R535 WeakPolarHBondContact O-CB 3.33Å; D532-R535 PolarHBondContact O-N 3.47Å; V533-R535 VanDerWaalsContact C-N 3.35Å; V533-R535 PolarHBondContact O-N 3.44Å; R535-A537 VanDerWaalsContact C-N 3.29Å; R535-A537 PolarHBondContact O-N 3.35Å; R535-K538 WeakPolarHBondContact O-CB 3.47Å; R535-K538 PolarHBondContact O-N 2.92Å; R535-K538 VanDerWaalsContact O-N 3.15Å; R535-I539 HydrophobicContact CG-CD1 3.94Å; R535-I539 WeakPolarHBondContact O-CG1 3.45Å; R535-I539 PolarHBondContact O-N 2.93Å; R535-N564 PolarHBondContact NH1-ND2 3.5Å
536K92.3Very high88.9Confident30 Ų3027.2 Ų27.213%0.1313%0.132CC..Hα-helixtrans-58.2-41.8177.5-67.3-172.9-178-136.80111.5L281 L282 F285 D532 V533 K538 I539 A540L281-K536 HydrophobicContact CD2-CB 4.48Å; L281-K536 HydrophobicContact CG-CB 4.44Å; L282-K536 HydrophobicContact CD2-CD 3.8Å; F285-K536 HydrophobicContact CB-CB 4.31Å; F285-K536 HydrophobicContact CB-CD 4.01Å; F285-K536 HydrophobicContact CB-CG 4.37Å; F285-K536 HydrophobicContact CD1-CD 3.68Å; F285-K536 HydrophobicContact CD1-CG 3.94Å; F285-K536 HydrophobicContact CD2-CB 3.59Å; F285-K536 HydrophobicContact CD2-CD 4.13Å; F285-K536 HydrophobicContact CD2-CG 3.61Å; F285-K536 HydrophobicContact CE1-CD 4.17Å; F285-K536 HydrophobicContact CE1-CG 4.09Å; F285-K536 HydrophobicContact CE2-CB 4.07Å; F285-K536 HydrophobicContact CE2-CG 3.8Å; F285-K536 HydrophobicContact CG-CB 3.94Å; F285-K536 HydrophobicContact CG-CD 3.64Å; F285-K536 HydrophobicContact CG-CG 3.68Å; F285-K536 HydrophobicContact CZ-CG 4.03Å; D532-K536 WeakPolarHBondContact O-CG 3.41Å; D532-K536 PolarHBondContact O-N 2.91Å; D532-K536 WeakPolarHBondContact OD2-CE 3.46Å; V533-K536 PolarHBondContact O-N 2.83Å; K536-K538 PolarHBondContact O-N 3.12Å; K536-I539 PolarHBondContact O-N 3.31Å; K536-A540 WeakPolarHBondContact O-CB 3.41Å; K536-A540 PolarHBondContact O-N 3.2Å
537A93.4Very high90.3Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-60.5-42.5176.100000112.8L281 F489 M492 A493 V533 R535 I539 V541L281-A537 HydrophobicContact CD1-CB 4.31Å; L281-A537 HydrophobicContact CD2-CB 3.63Å; F489-A537 HydrophobicContact CB-CB 4.5Å; F489-A537 WeakPolarHBondContact O-CB 3.49Å; M492-A537 HydrophobicContact CB-CB 3.77Å; A493-A537 HydrophobicContact CB-CB 4.08Å; V533-A537 WeakPolarHBondContact O-CB 3.26Å; V533-A537 PolarHBondContact O-N 2.91Å; R535-A537 VanDerWaalsContact C-N 3.29Å; R535-A537 PolarHBondContact O-N 3.35Å; A537-I539 VanDerWaalsContact C-N 3.35Å; A537-V541 WeakPolarHBondContact O-CG2 3.43Å; A537-V541 PolarHBondContact O-N 3.33Å
538K93Very high91.4Very high13 Ų1323.5 Ų23.56%0.05712%0.12CC..Hα-helixtrans-62.5-42.8175-73.1177.2175.5176.20111.9L462 A493 S496 N497 G534 R535 K536 N542 P568 L571L462-K538 HydrophobicContact CD1-CG 4.48Å; A493-K538 HydrophobicContact CB-CG 3.66Å; A493-K538 VanDerWaalsContact O-CE 3.27Å; A493-K538 WeakPolarHBondContact O-CE 3.3Å; S496-K538 WeakPolarHBondContact OG-CE 3.21Å; S496-K538 PolarHBondContact OG-NZ 3.46Å; N497-K538 PolarHBondContact OD1-NZ 2.86Å; G534-K538 WeakPolarHBondContact O-CG 3.37Å; G534-K538 PolarHBondContact O-N 3.36Å; G534-K538 VanDerWaalsContact O-N 3.15Å; R535-K538 WeakPolarHBondContact O-CB 3.47Å; R535-K538 PolarHBondContact O-N 2.92Å; R535-K538 VanDerWaalsContact O-N 3.15Å; K536-K538 PolarHBondContact O-N 3.12Å; K538-N542 PolarHBondContact O-N 2.82Å; K538-N542 VanDerWaalsContact O-N 3.16Å; K538-N542 PolarHBondContact O-ND2 3.28Å; K538-P568 PolarHBondContact NZ-O 3.46Å; K538-L571 HydrophobicContact CB-CD1 4.13Å
539I93.8Very high92.3Very high1 Ų122.8 Ų22.81%0.00512%0.116CC..Hα-helixtrans-64-49.6179.5-66.5162.2000109.5F285 I293 R535 K536 A537 V541 N542 L543 L571F285-I539 HydrophobicContact CD2-CB 4.47Å; F285-I539 HydrophobicContact CD2-CG2 4.42Å; F285-I539 HydrophobicContact CE2-CB 3.9Å; F285-I539 HydrophobicContact CE2-CD1 3.6Å; F285-I539 HydrophobicContact CE2-CG1 4.36Å; F285-I539 HydrophobicContact CE2-CG2 3.81Å; F285-I539 HydrophobicContact CZ-CD1 4.04Å; I293-I539 HydrophobicContact CD1-CD1 3.38Å; I293-I539 HydrophobicContact CD1-CG1 3.94Å; I293-I539 HydrophobicContact CG1-CD1 4.36Å; I293-I539 HydrophobicContact CG2-CG2 4.01Å; R535-I539 HydrophobicContact CG-CD1 3.94Å; R535-I539 WeakPolarHBondContact O-CG1 3.45Å; R535-I539 PolarHBondContact O-N 2.93Å; K536-I539 PolarHBondContact O-N 3.31Å; A537-I539 VanDerWaalsContact C-N 3.35Å; I539-V541 VanDerWaalsContact C-N 3.35Å; I539-V541 PolarHBondContact O-N 3.13Å; I539-N542 CarbonylContact O-C 3.57Å; I539-N542 PolarHBondContact O-N 3.16Å; I539-L543 HydrophobicContact CG2-CD1 3.72Å; I539-L543 HydrophobicContact CG2-CG 3.99Å; I539-L543 WeakPolarHBondContact O-CG 3.39Å; I539-L543 PolarHBondContact O-N 3.21Å; I539-L571 HydrophobicContact CG1-CD1 4.02Å; I539-L571 HydrophobicContact CG1-CD2 4.19Å
540A94.1Very high92.8Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-54-48.2179.900000112.9L281 F284 F489 K536 N542 L543 A544L281-A540 HydrophobicContact CD1-CB 3.85Å; F284-A540 HydrophobicContact CD1-CB 3.58Å; F284-A540 HydrophobicContact CE1-CB 3.5Å; F284-A540 VanDerWaalsContact CE1-CB 3.5Å; F284-A540 HydrophobicContact CZ-CB 4.31Å; F489-A540 HydrophobicContact CD2-CB 3.99Å; F489-A540 HydrophobicContact CE2-CB 3.96Å; K536-A540 WeakPolarHBondContact O-CB 3.41Å; K536-A540 PolarHBondContact O-N 3.2Å; A540-N542 VanDerWaalsContact C-N 3.34Å; A540-N542 PolarHBondContact O-N 3.09Å; A540-L543 PolarHBondContact O-N 2.9Å; A540-A544 PolarHBondContact O-N 3.35Å
541V94.9Very high93.2Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-65.2-37.3178.8173.40000112L462 F470 F486 F489 A537 I539 R545L462-V541 HydrophobicContact CD1-CB 3.68Å; L462-V541 HydrophobicContact CD1-CG1 3.8Å; L462-V541 HydrophobicContact CD1-CG2 3.81Å; L462-V541 HydrophobicContact CD2-CG1 3.91Å; F470-V541 HydrophobicContact CD2-CG1 4.48Å; F470-V541 HydrophobicContact CE2-CG1 3.58Å; F470-V541 HydrophobicContact CZ-CG1 3.87Å; F470-V541 WeakPolarHBondContact CZ-O 3.46Å; F486-V541 HydrophobicContact CD2-CG2 4.37Å; F486-V541 HydrophobicContact CE2-CG1 4.1Å; F486-V541 HydrophobicContact CE2-CG2 4.26Å; F489-V541 HydrophobicContact CB-CG2 4.1Å; F489-V541 HydrophobicContact CD2-CG2 4.49Å; A537-V541 WeakPolarHBondContact O-CG2 3.43Å; A537-V541 PolarHBondContact O-N 3.33Å; I539-V541 VanDerWaalsContact C-N 3.35Å; I539-V541 PolarHBondContact O-N 3.13Å; V541-R545 PolarHBondContact O-N 3.5Å
542N95.4Very high93.5Very high3 Ų329.1 Ų29.12%0.01614%0.141CC..Hα-helixtrans-80.1-24179-70-66000113.5P459 K538 I539 A540 A544 R545 K546 L558 L571P459-N542 WeakPolarHBondContact CG-OD1 3.2Å; K538-N542 PolarHBondContact O-N 2.82Å; K538-N542 VanDerWaalsContact O-N 3.16Å; K538-N542 PolarHBondContact O-ND2 3.28Å; I539-N542 CarbonylContact O-C 3.57Å; I539-N542 PolarHBondContact O-N 3.16Å; A540-N542 VanDerWaalsContact C-N 3.34Å; A540-N542 PolarHBondContact O-N 3.09Å; N542-A544 VanDerWaalsContact C-N 3.35Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.07Å; N542-R545 WeakPolarHBondContact OD1-CD 3.47Å; N542-R545 PolarHBondContact OD1-NH1 3.31Å; N542-K546 PolarHBondContact O-N 3.28Å; N542-L558 HydrophobicContact CB-CD1 4.02Å; N542-L558 HydrophobicContact CB-CD2 3.82Å; N542-L571 HydrophobicContact CB-CD1 4.49Å
543L94.5Very high93.7Very high19 Ų1928.9 Ų28.910%0.09915%0.151CC..Hα-helixtrans-66-38.8168.6-72.7174.5000111.4F284 F288 A292 I539 A540 R545 K546 S547 L558F284-L543 HydrophobicContact CE1-CD1 4.38Å; F288-L543 WeakPolarHBondContact O-CD1 3.37Å; A292-L543 HydrophobicContact CB-CD1 3.93Å; A292-L543 HydrophobicContact CB-CD2 3.64Å; A292-L543 HydrophobicContact CB-CG 4.46Å; I539-L543 HydrophobicContact CG2-CD1 3.72Å; I539-L543 HydrophobicContact CG2-CG 3.99Å; I539-L543 WeakPolarHBondContact O-CG 3.39Å; I539-L543 PolarHBondContact O-N 3.21Å; A540-L543 PolarHBondContact O-N 2.9Å; L543-R545 VanDerWaalsContact C-N 3.31Å; L543-R545 PolarHBondContact O-N 3.23Å; L543-K546 HydrophobicContact CD2-CD 4.2Å; L543-K546 WeakPolarHBondContact O-CB 3.34Å; L543-K546 PolarHBondContact O-N 2.94Å; L543-S547 PolarHBondContact O-N 3.05Å; L543-L558 HydrophobicContact CD2-CD2 3.83Å; L543-L558 HydrophobicContact CG-CD2 4.03Å
544A94.7Very high93.9Very high3 Ų329.1 Ų29.13%0.02515%0.152CC..Hα-helixtrans-65-34.3172.300000112.5F470 G472 A475 L476 A540 N542 F548F470-A544 HydrophobicContact CE1-CB 4.06Å; F470-A544 HydrophobicContact CZ-CB 3.75Å; G472-A544 WeakPolarHBondContact CA-O 3.28Å; A475-A544 HydrophobicContact CB-CB 4.01Å; L476-A544 HydrophobicContact CD1-CB 4.45Å; L476-A544 HydrophobicContact CD2-CB 3.82Å; L476-A544 HydrophobicContact CG-CB 3.78Å; A540-A544 PolarHBondContact O-N 3.35Å; N542-A544 VanDerWaalsContact C-N 3.35Å; A544-F548 PolarHBondContact O-N 2.59Å
545R96.3Very high94.2Very high2 Ų233 Ų331%0.00818%0.176CC..Hα-helixtrans-68.6-38.1170.7-72.7173.2171.6154.6-1.6113.1D436 L439 C465 F470 V541 N542 L543 F548 L549 L573D436-R545 IonicContact OD1-CZ 3.75Å; D436-R545 IonicContact OD1-NE 2.98Å; D436-R545 PolarHBondContact OD1-NE 3.23Å; D436-R545 IonicContact OD1-NH2 3.86Å; D436-R545 PolarHBondContact OD1-NH2 2.69Å; D436-R545 IonicContact OD2-CZ 2.64Å; D436-R545 IonicContact OD2-NE 2.74Å; D436-R545 IonicContact OD2-NH2 2.71Å; D436-R545 PolarHBondContact OD2-NH2 2.87Å; L439-R545 HydrophobicContact CD1-CB 3.71Å; L439-R545 HydrophobicContact CD1-CG 3.86Å; C465-R545 PolarHBondContact SG-NH2 3.1Å; F470-R545 HydrophobicContact CE2-CG 3.76Å; F470-R545 HydrophobicContact CZ-CG 4.35Å; V541-R545 PolarHBondContact O-N 3.5Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.07Å; N542-R545 WeakPolarHBondContact OD1-CD 3.47Å; N542-R545 PolarHBondContact OD1-NH1 3.31Å; L543-R545 VanDerWaalsContact C-N 3.31Å; L543-R545 PolarHBondContact O-N 3.23Å; R545-F548 WeakPolarHBondContact O-CB 3.19Å; R545-F548 PolarHBondContact O-N 3.44Å; R545-L549 PolarHBondContact O-N 3.45Å; R545-L573 HydrophobicContact CB-CD1 4.4Å
546K95.5Very high94.4Very high46 Ų4629.4 Ų29.420%0.216%0.163CC..Hα-helixtrans-55.8-52.4172.3172.8-168.5168-173.10109.8N542 L543 F548 L549 E550 V556N542-K546 PolarHBondContact O-N 3.28Å; L543-K546 HydrophobicContact CD2-CD 4.2Å; L543-K546 WeakPolarHBondContact O-CB 3.34Å; L543-K546 PolarHBondContact O-N 2.94Å; K546-F548 VanDerWaalsContact C-N 3.29Å; K546-F548 PolarHBondContact O-N 3.42Å; K546-L549 PolarHBondContact O-N 2.83Å; K546-E550 WeakPolarHBondContact CE-OE1 2.91Å; K546-E550 HydrophobicContact CG-CG 4.45Å; K546-E550 IonicContact NZ-OE1 3.68Å; K546-E550 WeakPolarHBondContact O-CG 3.44Å; K546-E550 PolarHBondContact O-N 3.43Å; K546-V556 HydrophobicContact CB-CG1 4.19Å; K546-V556 VanDerWaalsContact CE-O 3.3Å; K546-V556 WeakPolarHBondContact CE-O 3.33Å; K546-V556 HydrophobicContact CG-CB 3.84Å; K546-V556 HydrophobicContact CG-CG1 3.72Å
547S94.3Very high94.5Very high51 Ų5132.2 Ų32.236%0.35717%0.173SC..Hα-helixtrans-57.1-38.8178.5178.70000113.1L543 L549 E550 K551L543-S547 PolarHBondContact O-N 3.05Å; S547-L549 PolarHBondContact O-N 3.48Å; S547-E550 PolarHBondContact O-N 2.85Å; S547-K551 PolarHBondContact O-N 2.85Å
548F96.3Very high94.6Very high32 Ų3232.3 Ų32.314%0.1417%0.173CC..Hα-helixtrans-59.5-46.1174.6168.4-98.5000112.7F256 L439 A443 C471 A544 R545 K546 K551 V552F256-F548 HydrophobicContact CD2-CE2 4.44Å; F256-F548 HydrophobicContact CE2-CE2 4.25Å; L439-F548 HydrophobicContact CB-CD1 4.25Å; L439-F548 HydrophobicContact CB-CE1 4.03Å; A443-F548 HydrophobicContact CB-CE1 4.08Å; A443-F548 HydrophobicContact CB-CZ 3.88Å; C471-F548 HydrophobicContact CB-CB 4.43Å; C471-F548 HydrophobicContact CB-CD1 3.83Å; C471-F548 HydrophobicContact CB-CD2 3.8Å; C471-F548 HydrophobicContact CB-CE1 3.99Å; C471-F548 HydrophobicContact CB-CE2 3.96Å; C471-F548 HydrophobicContact CB-CG 3.73Å; C471-F548 HydrophobicContact CB-CZ 4.05Å; C471-F548 WeakPolarHBondContact O-CD2 3.5Å; C471-F548 VanDerWaalsContact SG-CD1 3.54Å; A544-F548 PolarHBondContact O-N 2.59Å; R545-F548 WeakPolarHBondContact O-CB 3.19Å; R545-F548 PolarHBondContact O-N 3.44Å; K546-F548 VanDerWaalsContact C-N 3.29Å; K546-F548 PolarHBondContact O-N 3.42Å; F548-K551 PolarHBondContact O-N 2.88Å; F548-V552 PolarHBondContact O-N 3.4Å
549L95.6Very high94.8Very high0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-69.9-37.2179.3-78.6177.3000112.4L439 R545 K546 S547 K551 V552 G553 F554 V556 L573 A575L439-L549 HydrophobicContact CD2-CD1 3.93Å; L439-L549 HydrophobicContact CD2-CG 4.44Å; R545-L549 PolarHBondContact O-N 3.45Å; K546-L549 PolarHBondContact O-N 2.83Å; S547-L549 PolarHBondContact O-N 3.48Å; L549-K551 VanDerWaalsContact C-N 3.29Å; L549-K551 PolarHBondContact O-N 3.43Å; L549-V552 HydrophobicContact CD2-CG2 4.3Å; L549-V552 VanDerWaalsContact O-CG2 3.24Å; L549-V552 WeakPolarHBondContact O-CG2 3.17Å; L549-V552 PolarHBondContact O-N 3.02Å; L549-V552 VanDerWaalsContact O-N 3.16Å; L549-G553 PolarHBondContact O-N 2.92Å; L549-F554 HydrophobicContact CB-CB 4.37Å; L549-F554 HydrophobicContact CB-CD2 4.41Å; L549-F554 HydrophobicContact CD2-CD2 4.04Å; L549-F554 HydrophobicContact CD2-CE2 4.16Å; L549-F554 WeakPolarHBondContact O-CD2 3.34Å; L549-F554 PolarHBondContact O-N 2.95Å; L549-F554 VanDerWaalsContact O-N 3.15Å; L549-V556 HydrophobicContact CB-CG2 3.61Å; L549-V556 HydrophobicContact CD1-CG2 4.48Å; L549-L573 HydrophobicContact CD1-CD1 4.21Å; L549-L573 HydrophobicContact CD1-CD2 3.36Å; L549-L573 HydrophobicContact CD1-CG 4.4Å; L549-A575 HydrophobicContact CD1-CB 4Å
550E94.9Very high94.8Very high83 Ų8332.1 Ų32.139%0.38817%0.173SC..Hα-helixtrans-59.6-42.2174.5-70.3173.4146.200111.3K546 S547 V552 G553 F554 V556K546-E550 WeakPolarHBondContact CE-OE1 2.91Å; K546-E550 HydrophobicContact CG-CG 4.45Å; K546-E550 IonicContact NZ-OE1 3.68Å; K546-E550 WeakPolarHBondContact O-CG 3.44Å; K546-E550 PolarHBondContact O-N 3.43Å; S547-E550 PolarHBondContact O-N 2.85Å; E550-V552 PolarHBondContact O-N 3.39Å; E550-G553 PolarHBondContact O-N 3.21Å; E550-F554 WeakPolarHBondContact CA-O 3.49Å; E550-V556 HydrophobicContact CG-CB 3.84Å; E550-V556 HydrophobicContact CG-CG2 3.67Å
551K93.2Very high94.9Very high139 Ų13932.2 Ų32.260%0.60417%0.173SC*.Hα-helixtrans-61.4-27.7177.2-173.3172.2177.6174.80113.7E474 S547 F548 L549 G553E474-K551 IonicContact OE1-NZ 3.77Å; E474-K551 PolarHBondContact OE1-NZ 3.38Å; E474-K551 IonicContact OE2-NZ 3.68Å; E474-K551 PolarHBondContact OE2-NZ 3.13Å; S547-K551 PolarHBondContact O-N 2.85Å; F548-K551 PolarHBondContact O-N 2.88Å; L549-K551 VanDerWaalsContact C-N 3.29Å; L549-K551 PolarHBondContact O-N 3.43Å; K551-G553 VanDerWaalsContact C-N 3.34Å
552V91.8Very high94.8Very high51 Ų5132.3 Ų32.331%0.30917%0.174SC..THydrogen-bonded Turntrans-97.216.1177.1-56.40000113.1A443 F548 L549 E550 F554 K577A443-V552 HydrophobicContact CB-CB 4.34Å; A443-V552 HydrophobicContact CB-CG1 4.19Å; A443-V552 HydrophobicContact CB-CG2 3.91Å; F548-V552 PolarHBondContact O-N 3.4Å; L549-V552 HydrophobicContact CD2-CG2 4.3Å; L549-V552 VanDerWaalsContact O-CG2 3.24Å; L549-V552 WeakPolarHBondContact O-CG2 3.17Å; L549-V552 PolarHBondContact O-N 3.02Å; L549-V552 VanDerWaalsContact O-N 3.16Å; E550-V552 PolarHBondContact O-N 3.39Å; V552-F554 HydrophobicContact CG2-CD2 3.84Å; V552-F554 HydrophobicContact CG2-CE2 3.97Å; V552-K577 PolarHBondContact O-NZ 2.82Å
553G92.6Very high94.5Very high50 Ų5035 Ų3552%0.51519%0.191SC..THydrogen-bonded Turntrans92.918.3166.600000115.6L549 E550 K551L549-G553 PolarHBondContact O-N 2.92Å; E550-G553 PolarHBondContact O-N 3.21Å; K551-G553 VanDerWaalsContact C-N 3.34Å
554F95Very high94Very high7 Ų737 Ų373%0.03120%0.202CC..  trans-89.7144.7169.9-68-97.6000110.9L452 L549 E550 V552 V556 A575 N576 K577L452-F554 HydrophobicContact CD2-CE1 3.85Å; L452-F554 HydrophobicContact CD2-CZ 3.58Å; L452-F554 HydrophobicContact CG-CE1 4.27Å; L452-F554 HydrophobicContact CG-CZ 4.42Å; L549-F554 HydrophobicContact CB-CB 4.37Å; L549-F554 HydrophobicContact CB-CD2 4.41Å; L549-F554 HydrophobicContact CD2-CD2 4.04Å; L549-F554 HydrophobicContact CD2-CE2 4.16Å; L549-F554 WeakPolarHBondContact O-CD2 3.34Å; L549-F554 PolarHBondContact O-N 2.95Å; L549-F554 VanDerWaalsContact O-N 3.15Å; E550-F554 WeakPolarHBondContact CA-O 3.49Å; V552-F554 HydrophobicContact CG2-CD2 3.84Å; V552-F554 HydrophobicContact CG2-CE2 3.97Å; F554-V556 HydrophobicContact CB-CG2 3.61Å; F554-A575 HydrophobicContact CB-CB 4.07Å; F554-A575 HydrophobicContact CD1-CB 3.82Å; F554-A575 HydrophobicContact CG-CB 4.15Å; F554-N576 CarbonylContact C-O 3.6Å; F554-N576 WeakPolarHBondContact CA-O 3.3Å; F554-K577 HydrophobicContact CD1-CB 3.76Å; F554-K577 HydrophobicContact CD1-CD 4.41Å; F554-K577 HydrophobicContact CD1-CG 4.49Å; F554-K577 HydrophobicContact CE1-CB 3.72Å; F554-K577 HydrophobicContact CE1-CD 3.96Å; F554-K577 HydrophobicContact CE1-CG 4.39Å; F554-K577 HydrophobicContact CE2-CD 4.21Å; F554-K577 HydrophobicContact CZ-CB 4.47Å; F554-K577 HydrophobicContact CZ-CD 3.85Å
555T95.6Very high93.4Very high81 Ų8141.8 Ų41.850%0.49724%0.241SC..EExtended strand (participates in β ladder)trans-82.8116.5158.9-55.80000107.8A575 N576T555-A575 WeakPolarHBondContact O-CA 3.23Å; T555-N576 PolarHBondContact N-O 3.28Å; T555-N576 PolarHBondContact O-N 3.5Å
556V95.5Very high92.9Very high7 Ų743.7 Ų43.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-120.5136.7-170.2-166.50000111.8K546 L549 E550 F554 L573 I574 A575K546-V556 HydrophobicContact CB-CG1 4.19Å; K546-V556 VanDerWaalsContact CE-O 3.3Å; K546-V556 WeakPolarHBondContact CE-O 3.33Å; K546-V556 HydrophobicContact CG-CB 3.84Å; K546-V556 HydrophobicContact CG-CG1 3.72Å; L549-V556 HydrophobicContact CB-CG2 3.61Å; L549-V556 HydrophobicContact CD1-CG2 4.48Å; E550-V556 HydrophobicContact CG-CB 3.84Å; E550-V556 HydrophobicContact CG-CG2 3.67Å; F554-V556 HydrophobicContact CB-CG2 3.61Å; V556-L573 HydrophobicContact CG1-CD1 4.29Å; V556-L573 HydrophobicContact CG1-CD2 3.81Å; V556-L573 HydrophobicContact CG1-CG 3.83Å; V556-I574 CarbonylContact C-O 3.47Å; V556-I574 WeakPolarHBondContact CA-O 3.21Å; V556-A575 HydrophobicContact CG1-CB 4.25Å; V556-A575 HydrophobicContact CG2-CB 3.97Å
557R94.9Very high92.5Very high88 Ų8842 Ų4233%0.33225%0.247SC..EExtended strand (participates in β ladder)trans-121.4142.2169.3-61.9-174.3-65.4131.7-2.2109.5E296 V559 I574E296-R557 IonicContact OE1-NH1 2.9Å; E296-R557 PolarHBondContact OE1-NH1 3.06Å; E296-R557 IonicContact OE2-CZ 3.64Å; E296-R557 IonicContact OE2-NH1 3.49Å; E296-R557 PolarHBondContact OE2-NH1 3.1Å; R557-V559 HydrophobicContact CB-CG1 4.25Å; R557-I574 PolarHBondContact N-O 3.1Å; R557-I574 PolarHBondContact O-N 3.17Å
558L95.5Very high92Very high3 Ų341.5 Ų41.52%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-112.8118.3169.1-176.866.8000106.9I293 N542 L543 L571 L573I293-L558 WeakPolarHBondContact CA-O 3.34Å; I293-L558 HydrophobicContact CG2-CB 4.09Å; I293-L558 HydrophobicContact CG2-CD2 3.71Å; I293-L558 HydrophobicContact CG2-CG 3.79Å; N542-L558 HydrophobicContact CB-CD1 4.02Å; N542-L558 HydrophobicContact CB-CD2 3.82Å; L543-L558 HydrophobicContact CD2-CD2 3.83Å; L543-L558 HydrophobicContact CG-CD2 4.03Å; L558-L571 HydrophobicContact CD1-CB 4.27Å; L558-L573 HydrophobicContact CD1-CB 4.43Å
559V95.7Very high91.6Very high0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-125.8150.7-174.6-54.40000110.8T294 E296 R557 F561 L571 L572 I574T294-V559 WeakPolarHBondContact O-CA 3.42Å; E296-V559 HydrophobicContact CB-CB 4.22Å; E296-V559 HydrophobicContact CB-CG1 4.45Å; E296-V559 HydrophobicContact CB-CG2 4.5Å; E296-V559 HydrophobicContact CG-CB 4.45Å; E296-V559 HydrophobicContact CG-CG1 4.26Å; E296-V559 WeakPolarHBondContact OE1-CG1 3.03Å; R557-V559 HydrophobicContact CB-CG1 4.25Å; V559-F561 HydrophobicContact CG2-CB 4.32Å; V559-F561 PolarHBondContact O-N 2.86Å; V559-L571 CarbonylContact O-C 3.51Å; V559-L571 WeakPolarHBondContact O-CA 3.39Å; V559-L572 HydrophobicContact CG2-CB 3.86Å; V559-L572 HydrophobicContact CG2-CD2 4.45Å; V559-L572 PolarHBondContact N-O 3.05Å; V559-L572 PolarHBondContact O-N 2.76Å; V559-I574 HydrophobicContact CG1-CD1 4.42Å; V559-I574 HydrophobicContact CG2-CD1 3.84Å; V559-I574 HydrophobicContact CG2-CG1 4.47Å
560Q94.9Very high91.5Very high10 Ų1042.1 Ų42.15%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-83.8100.4164.5-177.1-177.5-39.100108.3T294 E296 V562 N564 N570T294-Q560 PolarHBondContact O-N 2.86Å; E296-Q560 PolarHBondContact N-O 2.87Å; Q560-V562 VanDerWaalsContact CG-O 3.25Å; Q560-V562 WeakPolarHBondContact CG-O 3.48Å; Q560-V562 PolarHBondContact NE2-O 2.94Å; Q560-N564 PolarHBondContact NE2-ND2 3.4Å; Q560-N564 PolarHBondContact OE1-ND2 3.13Å; Q560-N570 CarbonylContact C-O 3.53Å; Q560-N570 VanDerWaalsContact CA-O 3.27Å; Q560-N570 WeakPolarHBondContact CA-O 3.43Å; Q560-N570 HydrophobicContact CG-CB 4.38Å; Q560-N570 WeakPolarHBondContact CG-ND2 3.17Å
561F95.4Very high91.5Very high1 Ų138.7 Ų38.70%0.00423%0.23CC..  trans-85.9-13-170.178.5-74.7000114.3E296 Q324 S327 I328 A458 V559 N570 L571 L572E296-F561 WeakPolarHBondContact O-CA 3.48Å; Q324-F561 HydrophobicContact CB-CE2 3.87Å; Q324-F561 HydrophobicContact CB-CZ 4.14Å; Q324-F561 HydrophobicContact CG-CE2 3.99Å; Q324-F561 HydrophobicContact CG-CZ 3.89Å; S327-F561 WeakPolarHBondContact CB-O 3.37Å; S327-F561 WeakPolarHBondContact OG-CD2 3.31Å; S327-F561 PolarHBondContact OG-O 3.14Å; I328-F561 HydrophobicContact CD1-CE2 4.04Å; I328-F561 HydrophobicContact CD1-CZ 4.44Å; I328-F561 HydrophobicContact CG1-CD2 4.08Å; I328-F561 HydrophobicContact CG1-CE2 3.73Å; I328-F561 HydrophobicContact CG1-CZ 4.47Å; A458-F561 HydrophobicContact CB-CE1 4.43Å; A458-F561 HydrophobicContact CB-CZ 4.39Å; V559-F561 HydrophobicContact CG2-CB 4.32Å; V559-F561 PolarHBondContact O-N 2.86Å; F561-N570 WeakPolarHBondContact CD1-O 3.42Å; F561-N570 VanDerWaalsContact CE1-C 3.4Å; F561-N570 PolarHBondContact N-O 3.49Å; F561-L571 WeakPolarHBondContact CE1-O 3.01Å; F561-L572 HydrophobicContact CB-CB 3.74Å; F561-L572 HydrophobicContact CB-CD2 3.82Å; F561-L572 HydrophobicContact CB-CG 4.41Å; F561-L572 HydrophobicContact CD1-CB 3.6Å; F561-L572 HydrophobicContact CD2-CD2 4.42Å; F561-L572 HydrophobicContact CE1-CB 4.4Å; F561-L572 HydrophobicContact CG-CB 3.8Å; F561-L572 HydrophobicContact CG-CD2 4.1Å; F561-L572 HydrophobicContact CG-CG 4.41Å
562V92.8Very high91.6Very high3 Ų332 Ų322%0.01820%0.201CC..SBendtrans-142154.1170.6-67.30000109.9Q324 Q560 T566 T567 N570Q324-V562 HydrophobicContact CG-CG1 4.45Å; Q324-V562 HydrophobicContact CG-CG2 4.24Å; Q560-V562 VanDerWaalsContact CG-O 3.25Å; Q560-V562 WeakPolarHBondContact CG-O 3.48Å; Q560-V562 PolarHBondContact NE2-O 2.94Å; V562-T566 HydrophobicContact CB-CG2 4.45Å; V562-T566 HydrophobicContact CG2-CG2 4.48Å; V562-T567 HydrophobicContact CG2-CG2 3.64Å; V562-N570 HydrophobicContact CG2-CB 3.5Å; V562-N570 VanDerWaalsContact CG2-CB 3.5Å; V562-N570 WeakPolarHBondContact O-CB 3.46Å; V562-N570 PolarHBondContact O-ND2 2.91Å
563P89.6Confident91.9Very high58 Ų5829.6 Ų29.638%0.37719%0.186SC..  trans-57.7147178.9-25.535.3000113V297 A565 T566V297-P563 HydrophobicContact CG2-CG 4.33Å; P563-A565 PolarHBondContact O-N 2.93Å; P563-T566 VanDerWaalsContact O-CB 3.26Å; P563-T566 WeakPolarHBondContact O-CB 3.46Å; P563-T566 PolarHBondContact O-N 3.25Å; P563-T566 PolarHBondContact O-OG1 2.97Å
564N83.7Confident92.1Very high63 Ų6327.3 Ų27.334%0.33716%0.162SC..THydrogen-bonded Turntrans-54-35.8175.2-71.1-54.1000112.2R535 Q560 T566 T567 N570R535-N564 PolarHBondContact NH1-ND2 3.5Å; Q560-N564 PolarHBondContact NE2-ND2 3.4Å; Q560-N564 PolarHBondContact OE1-ND2 3.13Å; N564-T566 PolarHBondContact O-N 3.42Å; N564-T567 PolarHBondContact O-N 2.9Å; N564-N570 WeakPolarHBondContact CA-ND2 3.33Å; N564-N570 PolarHBondContact OD1-ND2 3.49Å
565A83.1Confident92.2Very high102 Ų10227 Ų2784%0.84316%0.161SC*.THydrogen-bonded Turntrans-63-22176.800000113.7P563P563-A565 PolarHBondContact O-N 2.93Å
566T85.5Confident92.2Very high43 Ų4324.5 Ų24.526%0.26415%0.145SC..THydrogen-bonded Turntrans-77.2-45.3178.3-55.50000111.7T320 A323 V562 P563 N564T320-T566 HydrophobicContact CG2-CG2 4.15Å; T320-T566 WeakPolarHBondContact CG2-O 3.49Å; T320-T566 PolarHBondContact OG1-O 3.25Å; A323-T566 HydrophobicContact CB-CG2 3.98Å; V562-T566 HydrophobicContact CB-CG2 4.45Å; V562-T566 HydrophobicContact CG2-CG2 4.48Å; P563-T566 VanDerWaalsContact O-CB 3.26Å; P563-T566 WeakPolarHBondContact O-CB 3.46Å; P563-T566 PolarHBondContact O-N 3.25Å; P563-T566 PolarHBondContact O-OG1 2.97Å; N564-T566 PolarHBondContact O-N 3.42Å
567T86.7Confident91.9Very high10 Ų1026 Ų266%0.06115%0.151CC..  trans-173.4144.4-1751690000109.9T320 Q324 V562 N564 E569 N570T320-T567 HydrophobicContact CG2-CG2 3.92Å; Q324-T567 HydrophobicContact CG-CG2 4.08Å; V562-T567 HydrophobicContact CG2-CG2 3.64Å; N564-T567 PolarHBondContact O-N 2.9Å; T567-E569 PolarHBondContact O-N 3.17Å; T567-E569 PolarHBondContact OG1-N 3.49Å; T567-E569 PolarHBondContact OG1-OE2 3.11Å; T567-N570 HydrophobicContact CG2-CB 4.43Å; T567-N570 WeakPolarHBondContact O-CB 3.49Å
568P84.5Confident90.9Very high41 Ų4130.3 Ų30.327%0.26617%0.172SC..SBendtrans-76.8-7.3172.534-37.4000112.9N497 K538 N570N497-P568 WeakPolarHBondContact OD1-CB 3.48Å; N497-P568 WeakPolarHBondContact OD1-CG 3.49Å; K538-P568 PolarHBondContact NZ-O 3.46Å; P568-N570 PolarHBondContact O-N 3.48Å
569E88.1Confident89.2Confident41 Ų4136.5 Ų36.519%0.19221%0.214CC..  trans-93.668.5169.1-62.878.8-160.800110.1Q324 H429 N497 T567Q324-E569 PolarHBondContact NE2-O 3.25Å; H429-E569 WeakPolarHBondContact CE1-CB 3.25Å; N497-E569 VanDerWaalsContact CG-OE1 3.27Å; N497-E569 PolarHBondContact ND2-OE1 3.37Å; N497-E569 PolarHBondContact OD1-OE1 2.93Å; T567-E569 PolarHBondContact O-N 3.17Å; T567-E569 PolarHBondContact OG1-N 3.49Å; T567-E569 PolarHBondContact OG1-OE2 3.11Å
570N92.1Very high88.9Confident4 Ų438.4 Ų38.42%0.02123%0.225CC..  trans-124.114.9-169.464.7-17.1000114.5Q560 F561 V562 N564 T567 P568Q560-N570 CarbonylContact C-O 3.53Å; Q560-N570 VanDerWaalsContact CA-O 3.27Å; Q560-N570 WeakPolarHBondContact CA-O 3.43Å; Q560-N570 HydrophobicContact CG-CB 4.38Å; Q560-N570 WeakPolarHBondContact CG-ND2 3.17Å; F561-N570 WeakPolarHBondContact CD1-O 3.42Å; F561-N570 VanDerWaalsContact CE1-C 3.4Å; F561-N570 PolarHBondContact N-O 3.49Å; V562-N570 HydrophobicContact CG2-CB 3.5Å; V562-N570 VanDerWaalsContact CG2-CB 3.5Å; V562-N570 WeakPolarHBondContact O-CB 3.46Å; V562-N570 PolarHBondContact O-ND2 2.91Å; N564-N570 WeakPolarHBondContact CA-ND2 3.33Å; N564-N570 PolarHBondContact OD1-ND2 3.49Å; T567-N570 HydrophobicContact CG2-CB 4.43Å; T567-N570 WeakPolarHBondContact O-CB 3.49Å; P568-N570 PolarHBondContact O-N 3.48Å
571L94.7Very high88.5Confident10 Ų1039.8 Ų39.85%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-91.4143.4171.4-61.6179.5000110.4P459 K538 I539 N542 L558 V559 F561P459-L571 WeakPolarHBondContact CD-O 3.24Å; P459-L571 HydrophobicContact CG-CB 4.28Å; K538-L571 HydrophobicContact CB-CD1 4.13Å; I539-L571 HydrophobicContact CG1-CD1 4.02Å; I539-L571 HydrophobicContact CG1-CD2 4.19Å; N542-L571 HydrophobicContact CB-CD1 4.49Å; L558-L571 HydrophobicContact CD1-CB 4.27Å; V559-L571 CarbonylContact O-C 3.51Å; V559-L571 WeakPolarHBondContact O-CA 3.39Å; F561-L571 WeakPolarHBondContact CE1-O 3.01Å
572L96.6Very high88.2Confident0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-132.7124.5175-167.966.9000109I328 H331 I456 A458 V559 F561 I574I328-L572 HydrophobicContact CG1-CD1 4.13Å; H331-L572 HydrophobicContact CB-CD2 3.94Å; H331-L572 VanDerWaalsContact CD2-CD2 3.48Å; H331-L572 WeakPolarHBondContact CD2-CD2 3.5Å; I456-L572 HydrophobicContact CG2-CD1 3.71Å; I456-L572 HydrophobicContact CG2-CD2 3.78Å; I456-L572 HydrophobicContact CG2-CG 3.94Å; A458-L572 HydrophobicContact CB-CD1 3.91Å; V559-L572 HydrophobicContact CG2-CB 3.86Å; V559-L572 HydrophobicContact CG2-CD2 4.45Å; V559-L572 PolarHBondContact N-O 3.05Å; V559-L572 PolarHBondContact O-N 2.76Å; F561-L572 HydrophobicContact CB-CB 3.74Å; F561-L572 HydrophobicContact CB-CD2 3.82Å; F561-L572 HydrophobicContact CB-CG 4.41Å; F561-L572 HydrophobicContact CD1-CB 3.6Å; F561-L572 HydrophobicContact CD2-CD2 4.42Å; F561-L572 HydrophobicContact CE1-CB 4.4Å; F561-L572 HydrophobicContact CG-CB 3.8Å; F561-L572 HydrophobicContact CG-CD2 4.1Å; F561-L572 HydrophobicContact CG-CG 4.41Å; L572-I574 HydrophobicContact CD2-CD1 4.22Å; L572-I574 HydrophobicContact CD2-CG1 4.1Å; L572-I574 HydrophobicContact CG-CG1 4.11Å
573L96.7Very high87.9Confident0 Ų044.3 Ų44.30%026%0.261CS..EExtended strand (participates in β ladder)trans-92.3119.1171.5-169.6148.1000107.9M457 R545 L549 V556 L558 A575M457-L573 PolarHBondContact N-O 2.88Å; M457-L573 PolarHBondContact O-N 3.45Å; R545-L573 HydrophobicContact CB-CD1 4.4Å; L549-L573 HydrophobicContact CD1-CD1 4.21Å; L549-L573 HydrophobicContact CD1-CD2 3.36Å; L549-L573 HydrophobicContact CD1-CG 4.4Å; V556-L573 HydrophobicContact CG1-CD1 4.29Å; V556-L573 HydrophobicContact CG1-CD2 3.81Å; V556-L573 HydrophobicContact CG1-CG 3.83Å; L558-L573 HydrophobicContact CD1-CB 4.43Å; L573-A575 HydrophobicContact CD2-CB 3.97Å
574I97.3Very high87.8Confident1 Ų143.4 Ų43.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-112.8112.4178.6-55172.8000106.7H331 A455 I456 V556 R557 V559 L572H331-I574 HydrophobicContact CB-CD1 4.4Å; H331-I574 WeakPolarHBondContact ND1-CD1 3.32Å; A455-I574 WeakPolarHBondContact O-CA 3.44Å; I456-I574 HydrophobicContact CD1-CG2 4.42Å; I456-I574 HydrophobicContact CG1-CG2 4.48Å; V556-I574 CarbonylContact C-O 3.47Å; V556-I574 WeakPolarHBondContact CA-O 3.21Å; R557-I574 PolarHBondContact N-O 3.1Å; R557-I574 PolarHBondContact O-N 3.17Å; V559-I574 HydrophobicContact CG1-CD1 4.42Å; V559-I574 HydrophobicContact CG2-CD1 3.84Å; V559-I574 HydrophobicContact CG2-CG1 4.47Å; L572-I574 HydrophobicContact CD2-CD1 4.22Å; L572-I574 HydrophobicContact CD2-CG1 4.1Å; L572-I574 HydrophobicContact CG-CG1 4.11Å
575A96.7Very high88Confident0 Ų042.1 Ų42.10%025%0.248CC..EExtended strand (participates in β ladder)trans-120.7123.8179.500000109.8T454 A455 L549 F554 T555 V556 L573T454-A575 CarbonylContact C-O 3.58Å; T454-A575 WeakPolarHBondContact CA-O 3.2Å; A455-A575 HydrophobicContact CB-CB 4.29Å; A455-A575 PolarHBondContact N-O 3.36Å; A455-A575 PolarHBondContact O-N 2.7Å; L549-A575 HydrophobicContact CD1-CB 4Å; F554-A575 HydrophobicContact CB-CB 4.07Å; F554-A575 HydrophobicContact CD1-CB 3.82Å; F554-A575 HydrophobicContact CG-CB 4.15Å; T555-A575 WeakPolarHBondContact O-CA 3.23Å; V556-A575 HydrophobicContact CG1-CB 4.25Å; V556-A575 HydrophobicContact CG2-CB 3.97Å; L573-A575 HydrophobicContact CD2-CB 3.97Å
576N95.7Very high88.4Confident30 Ų3037.9 Ų37.916%0.1621%0.205CC..EExtended strand (participates in β ladder)trans-113.1142.8176.4-64.7-43.1000109.4N335 Q453 T454 F554 T555N335-N576 PolarHBondContact OD1-ND2 2.82Å; Q453-N576 CarbonylContact O-C 3.55Å; Q453-N576 WeakPolarHBondContact O-CA 3.44Å; T454-N576 VanDerWaalsContact CG2-OD1 3.31Å; T454-N576 WeakPolarHBondContact CG2-OD1 3.23Å; T454-N576 PolarHBondContact OG1-OD1 3.29Å; F554-N576 CarbonylContact C-O 3.6Å; F554-N576 WeakPolarHBondContact CA-O 3.3Å; T555-N576 PolarHBondContact N-O 3.28Å; T555-N576 PolarHBondContact O-N 3.5Å
577K88.9Confident88.6Confident39 Ų3937.5 Ų37.517%0.1720%0.201CC..  trans-124.1112.6175.3-165164.1-173.3151.50108.1S446 Q453 V552 F554 C579S446-K577 PolarHBondContact OG-NZ 3.36Å; Q453-K577 PolarHBondContact O-N 2.88Å; V552-K577 PolarHBondContact O-NZ 2.82Å; F554-K577 HydrophobicContact CD1-CB 3.76Å; F554-K577 HydrophobicContact CD1-CD 4.41Å; F554-K577 HydrophobicContact CD1-CG 4.49Å; F554-K577 HydrophobicContact CE1-CB 3.72Å; F554-K577 HydrophobicContact CE1-CD 3.96Å; F554-K577 HydrophobicContact CE1-CG 4.39Å; F554-K577 HydrophobicContact CE2-CD 4.21Å; F554-K577 HydrophobicContact CZ-CB 4.47Å; F554-K577 HydrophobicContact CZ-CD 3.85Å; K577-C579 PolarHBondContact O-N 3.09Å; K577-C579 VanDerWaalsContact O-N 3.12Å; K577-C579 PolarHBondContact O-SG 2.93Å
578F74.2Confident88.8Confident177 Ų17739.8 Ų39.878%0.77621%0.212SC*.  trans-74.1103.1171.6-59.6-78.7000106.7
579C60Low89.2Confident134 Ų13439.6 Ų39.691%0.90521%0.207SC*.  trans-90.40-179.9-580000110.5L452 K577L452-C579 PolarHBondContact O-SG 3.09Å; K577-C579 PolarHBondContact O-N 3.09Å; K577-C579 VanDerWaalsContact O-N 3.12Å; K577-C579 PolarHBondContact O-SG 2.93Å

Retrieved 579 of 579 residues in 563.5 ms (Link to these results)

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