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ornithine decarboxylase

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A060VMH2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497782, Length 456 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
1M45.2Very low67.3Low198 Ų19880.8 Ų80.898%0.97548%0.476SS*.  0124.20-72.6172.9178.500106.8T3M1-T3 PolarHBondContact O-N 3.46Å
2N47.2Very low69.2Low115 Ų11575.2 Ų75.262%0.61544%0.442SS*.  trans-64.9117.8170-80.1-17.1000107.1F4N2-F4 PolarHBondContact O-N 2.81Å
3T52.2Low70.5Confident119 Ų11979.6 Ų79.673%0.7346%0.456SS*.  trans-63.3122.117745.90000108.4M1 A5M1-T3 PolarHBondContact O-N 3.46Å; T3-A5 PolarHBondContact O-N 3.1Å
4F61.6Low71.4Confident6 Ų687.1 Ų87.13%0.02649%0.485CS..  trans-45.9110.8169.7-162.5-94.3000107.8N2 F9 L43 T73 T76 T77 M408 W413N2-F4 PolarHBondContact O-N 2.81Å; F4-F9 HydrophobicContact CD1-CD1 4.06Å; F4-F9 AromaticContact CD1-CE1 3.36Å; F4-F9 HydrophobicContact CD1-CE1 3.36Å; F4-F9 HydrophobicContact CD1-CZ 4.04Å; F4-F9 AromaticContact CE1-CD1 3.42Å; F4-F9 HydrophobicContact CE1-CD1 3.42Å; F4-F9 VanDerWaalsContact CE1-CD1 3.42Å; F4-F9 AromaticContact CE1-CE1 3.11Å; F4-F9 HydrophobicContact CE1-CE1 3.11Å; F4-F9 HydrophobicContact CE1-CG 4.38Å; F4-F9 AromaticContact CE1-CZ 3.84Å; F4-F9 HydrophobicContact CE1-CZ 3.84Å; F4-F9 HydrophobicContact CZ-CD1 4.11Å; F4-F9 HydrophobicContact CZ-CE1 4.2Å; F4-L43 HydrophobicContact CE1-CD1 4.43Å; F4-L43 HydrophobicContact CZ-CD1 3.94Å; F4-T73 HydrophobicContact CE2-CG2 4.46Å; F4-T73 HydrophobicContact CZ-CG2 4.15Å; F4-T76 HydrophobicContact CD2-CG2 3.51Å; F4-T76 HydrophobicContact CE2-CG2 4.08Å; F4-T77 WeakPolarHBondContact CE2-OG1 3.5Å; F4-T77 WeakPolarHBondContact CZ-OG1 3.34Å; F4-M408 HydrophobicContact CE1-CE 3.63Å; F4-M408 HydrophobicContact CZ-CE 3.99Å; F4-W413 HydrophobicContact CB-CH2 3.87Å; F4-W413 HydrophobicContact CB-CZ3 3.8Å; F4-W413 AromaticContact CD1-CE3 3.93Å; F4-W413 HydrophobicContact CD1-CE3 3.93Å; F4-W413 AromaticContact CD1-CH2 3.82Å; F4-W413 HydrophobicContact CD1-CH2 3.82Å; F4-W413 AromaticContact CD1-CZ3 3.14Å; F4-W413 HydrophobicContact CD1-CZ3 3.14Å; F4-W413 HydrophobicContact CE1-CE3 4.38Å; F4-W413 AromaticContact CE1-CZ3 3.99Å; F4-W413 HydrophobicContact CE1-CZ3 3.99Å; F4-W413 HydrophobicContact CG-CH2 4.31Å; F4-W413 AromaticContact CG-CZ3 3.83Å; F4-W413 HydrophobicContact CG-CZ3 3.83Å; F4-W413 WeakPolarHBondContact O-CH2 3.19Å
5A59.6Low72.2Confident37 Ų3787 Ų8731%0.30651%0.511SS..  trans-92141.2-171.300000109.3T3 A7 D8 F9T3-A5 PolarHBondContact O-N 3.1Å; A5-A7 HydrophobicContact CB-CB 4.5Å; A5-A7 PolarHBondContact O-N 3.41Å; A5-D8 PolarHBondContact O-N 3.36Å; A5-F9 WeakPolarHBondContact O-CE1 3.3Å
6P59.8Low73.2Confident75 Ų7588.1 Ų88.149%0.48751%0.508SS..G310 helixtrans-58.8-7.5172.6-23.933.4000114.8D8 F11P6-D8 PolarHBondContact O-N 3.31Å; P6-F11 HydrophobicContact CB-CE2 4.3Å
7A60.9Low74.2Confident93 Ų9386.4 Ų86.477%0.76950%0.501SS*.G310 helixtrans-72.3-17.4176.900000113.2A5A5-A7 HydrophobicContact CB-CB 4.5Å; A5-A7 PolarHBondContact O-N 3.41Å
8D76.9Confident75Confident81 Ų8182.9 Ų82.943%0.43349%0.485SS..G310 helixtrans-93.4-4.4-173.1-61.5-33.8000113.6A5 P6 T73A5-D8 PolarHBondContact O-N 3.36Å; P6-D8 PolarHBondContact O-N 3.31Å; D8-T73 HydrophobicContact CB-CG2 4.47Å
9F89.9Confident75.9Confident13 Ų1384.6 Ų84.66%0.05748%0.482CS..SBendtrans-159.4161.4-17862.8-81.1000111.9F4 A5 F11 L43 Y406 M408 W413F4-F9 HydrophobicContact CD1-CD1 4.06Å; F4-F9 AromaticContact CD1-CE1 3.36Å; F4-F9 HydrophobicContact CD1-CE1 3.36Å; F4-F9 HydrophobicContact CD1-CZ 4.04Å; F4-F9 AromaticContact CE1-CD1 3.42Å; F4-F9 HydrophobicContact CE1-CD1 3.42Å; F4-F9 VanDerWaalsContact CE1-CD1 3.42Å; F4-F9 AromaticContact CE1-CE1 3.11Å; F4-F9 HydrophobicContact CE1-CE1 3.11Å; F4-F9 HydrophobicContact CE1-CG 4.38Å; F4-F9 AromaticContact CE1-CZ 3.84Å; F4-F9 HydrophobicContact CE1-CZ 3.84Å; F4-F9 HydrophobicContact CZ-CD1 4.11Å; F4-F9 HydrophobicContact CZ-CE1 4.2Å; A5-F9 WeakPolarHBondContact O-CE1 3.3Å; F9-F11 HydrophobicContact CE2-CD1 4.08Å; F9-F11 AromaticContact CE2-CE1 3.68Å; F9-F11 HydrophobicContact CE2-CE1 3.68Å; F9-F11 AromaticContact CE2-CZ 3.94Å; F9-F11 HydrophobicContact CE2-CZ 3.94Å; F9-F11 HydrophobicContact CZ-CE1 4.28Å; F9-F11 HydrophobicContact CZ-CZ 4.21Å; F9-L43 HydrophobicContact CB-CD1 3.94Å; F9-L43 HydrophobicContact CD1-CD1 4.5Å; F9-L43 HydrophobicContact CG-CD1 4.19Å; F9-Y406 CarbonylContact C-O 3.58Å; F9-Y406 WeakPolarHBondContact CA-O 3.27Å; F9-Y406 WeakPolarHBondContact CB-O 3.42Å; F9-M408 HydrophobicContact CD2-CB 3.55Å; F9-M408 HydrophobicContact CE2-CB 3.71Å; F9-M408 HydrophobicContact CE2-CG 4.45Å; F9-M408 HydrophobicContact CE2-SD 4.11Å; F9-M408 HydrophobicContact CG-CB 4.42Å; F9-M408 HydrophobicContact CZ-SD 4.32Å; F9-W413 HydrophobicContact CE1-CE3 4.46Å; F9-W413 HydrophobicContact CE1-CZ3 4.44Å; F9-W413 HydrophobicContact CZ-CD2 4.08Å; F9-W413 AromaticContact CZ-CE3 3.75Å; F9-W413 HydrophobicContact CZ-CE3 3.75Å; F9-W413 HydrophobicContact CZ-CZ3 4.13Å
10T92.9Very high76.7Confident99 Ų9983.1 Ų83.161%0.60747%0.472SS*.EExtended strand (participates in β ladder)trans-100.3140.8176-55.10000111Y406 I407 M408T10-Y406 PolarHBondContact N-O 3.44Å; T10-I407 VanDerWaalsContact O-CA 3.26Å; T10-I407 WeakPolarHBondContact O-CA 3.27Å; T10-M408 PolarHBondContact O-N 3.09Å
11F93.6Very high77.6Confident53 Ų5380.2 Ų80.223%0.23246%0.455CS..EExtended strand (participates in β ladder)trans-73.7130.1173.5-75.6-65.4000111.3P6 F9 M408 R410 W413P6-F11 HydrophobicContact CB-CE2 4.3Å; F9-F11 HydrophobicContact CE2-CD1 4.08Å; F9-F11 AromaticContact CE2-CE1 3.68Å; F9-F11 HydrophobicContact CE2-CE1 3.68Å; F9-F11 AromaticContact CE2-CZ 3.94Å; F9-F11 HydrophobicContact CE2-CZ 3.94Å; F9-F11 HydrophobicContact CZ-CE1 4.28Å; F9-F11 HydrophobicContact CZ-CZ 4.21Å; F11-M408 CarbonylContact C-O 3.54Å; F11-M408 VanDerWaalsContact CA-O 3.3Å; F11-M408 WeakPolarHBondContact CA-O 3.43Å; F11-R410 HydrophobicContact CB-CG 4.4Å; F11-R410 HydrophobicContact CD1-CG 3.85Å; F11-R410 HydrophobicContact CE1-CG 4.41Å; F11-R410 HydrophobicContact CG-CG 4.2Å; F11-W413 HydrophobicContact CE1-CB 3.7Å; F11-W413 AromaticContact CE1-CD1 3.8Å; F11-W413 HydrophobicContact CE1-CD2 4.39Å; F11-W413 AromaticContact CE1-CG 3.66Å; F11-W413 HydrophobicContact CE1-CG 3.66Å; F11-W413 HydrophobicContact CZ-CB 4.45Å; F11-W413 AromaticContact CZ-CD1 3.74Å; F11-W413 HydrophobicContact CZ-CD2 4.38Å; F11-W413 AromaticContact CZ-CG 3.92Å; F11-W413 HydrophobicContact CZ-CG 3.92Å
12L90.2Very high79.9Confident13 Ų1370.9 Ų70.97%0.06841%0.409CS..EExtended strand (participates in β ladder)trans-67.3130.4164.7-81.1163.7000109.8F16 I21 I407 M408L12-F16 HydrophobicContact CD2-CB 4.31Å; L12-I21 HydrophobicContact CD2-CD1 3.91Å; L12-I21 HydrophobicContact CD2-CG1 3.48Å; L12-I21 VanDerWaalsContact CD2-CG1 3.48Å; L12-I407 HydrophobicContact CD1-CB 4.5Å; L12-I407 HydrophobicContact CD1-CD1 3.93Å; L12-I407 HydrophobicContact CD1-CG1 4.23Å; L12-I407 HydrophobicContact CD2-CD1 3.99Å; L12-I407 HydrophobicContact CG-CB 4.2Å; L12-I407 HydrophobicContact CG-CD1 4.06Å; L12-I407 HydrophobicContact CG-CG1 4.39Å; L12-M408 PolarHBondContact N-O 3.41Å
13E85.9Confident82.2Confident133 Ų13369.6 Ų69.662%0.62140%0.4SS*.PPolyproline II helixtrans-68.9154.1169.8-65.1-168.5174.700110.9G15 F16E13-G15 PolarHBondContact O-N 2.97Å; E13-F16 HydrophobicContact CB-CD2 3.68Å; E13-F16 HydrophobicContact CB-CE2 4.16Å; E13-F16 HydrophobicContact CB-CG 4.4Å; E13-F16 PolarHBondContact O-N 2.97Å
14E84Confident84.1Confident185 Ų18568.1 Ų68.186%0.86439%0.385SS*.THydrogen-bonded Turntrans-62.5131.9179.2-74.1-177.2-178.600110.8F16E14-F16 VanDerWaalsContact C-N 3.32Å
15G82.8Confident85.6Confident85 Ų8569.9 Ų69.988%0.87639%0.392SS*.THydrogen-bonded Turntrans87.4-9.2-177.500000115.1E13E13-G15 PolarHBondContact O-N 2.97Å
16F88Confident87.3Confident104 Ų10468.4 Ų68.446%0.45638%0.379SS..  trans-94.1148.4175.1-71-101.9000111.9L12 E13 E14 D20L12-F16 HydrophobicContact CD2-CB 4.31Å; E13-F16 HydrophobicContact CB-CD2 3.68Å; E13-F16 HydrophobicContact CB-CE2 4.16Å; E13-F16 HydrophobicContact CB-CG 4.4Å; E13-F16 PolarHBondContact O-N 2.97Å; E14-F16 VanDerWaalsContact C-N 3.32Å; F16-D20 WeakPolarHBondContact CA-OD2 3.39Å; F16-D20 HydrophobicContact CD1-CB 3.75Å
17C89.9Confident88.9Confident59 Ų5968.7 Ų68.740%0.39938%0.377SS..  trans-120.2172.6175.675.30000112R19 D20 I21C17-R19 PolarHBondContact O-N 3.43Å; C17-D20 PolarHBondContact N-OD2 3.44Å; C17-D20 WeakPolarHBondContact O-CB 3.37Å; C17-D20 PolarHBondContact O-N 3.31Å; C17-D20 VanDerWaalsContact SG-CG 3.59Å; C17-D20 PolarHBondContact SG-OD2 3.28Å; C17-I21 PolarHBondContact O-N 3.35Å
18A90.1Very high90.3Very high24 Ų2468.8 Ų68.820%0.19836%0.361CS..Hα-helixtrans-56.7-35.2179.500000113.3D20 I21 V22 V40 D42 I407A18-D20 VanDerWaalsContact C-N 3.34Å; A18-D20 PolarHBondContact O-N 3.4Å; A18-I21 PolarHBondContact O-N 3.15Å; A18-V22 PolarHBondContact O-N 3.01Å; A18-V22 VanDerWaalsContact O-N 3.09Å; A18-V40 HydrophobicContact CB-CG1 4.45Å; A18-D42 HydrophobicContact CB-CB 4.06Å; A18-I407 HydrophobicContact CB-CD1 3.76Å
19R91.1Very high91Very high116 Ų11666.2 Ų66.244%0.43835%0.347SS..Hα-helixtrans-64.9-37.6176.9-175.3179.8179.5149.39.1112.3C17 I21 V22 E23C17-R19 PolarHBondContact O-N 3.43Å; R19-I21 VanDerWaalsContact C-N 3.26Å; R19-I21 PolarHBondContact O-N 2.71Å; R19-V22 WeakPolarHBondContact O-CB 3.41Å; R19-V22 PolarHBondContact O-N 2.96Å; R19-E23 PolarHBondContact O-N 3.27Å
20D93.1Very high90.7Very high54 Ų5468.2 Ų68.229%0.28936%0.362SS..Hα-helixtrans-66.1-33.6177.8-53.3-43000110.8F16 C17 A18 E23 Q24F16-D20 WeakPolarHBondContact CA-OD2 3.39Å; F16-D20 HydrophobicContact CD1-CB 3.75Å; C17-D20 PolarHBondContact N-OD2 3.44Å; C17-D20 WeakPolarHBondContact O-CB 3.37Å; C17-D20 PolarHBondContact O-N 3.31Å; C17-D20 VanDerWaalsContact SG-CG 3.59Å; C17-D20 PolarHBondContact SG-OD2 3.28Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-D20 PolarHBondContact O-N 3.4Å; D20-E23 PolarHBondContact O-N 3.1Å; D20-Q24 WeakPolarHBondContact O-CB 3.34Å; D20-Q24 PolarHBondContact O-N 3.34Å
21I94.3Very high90Very high22 Ų2271.5 Ų71.511%0.11337%0.373CS..Hα-helixtrans-69.3-38.3174-57.6-56.1000111.7L12 C17 A18 R19 E23 Q24 K25 V40 I407L12-I21 HydrophobicContact CD2-CD1 3.91Å; L12-I21 HydrophobicContact CD2-CG1 3.48Å; L12-I21 VanDerWaalsContact CD2-CG1 3.48Å; C17-I21 PolarHBondContact O-N 3.35Å; A18-I21 PolarHBondContact O-N 3.15Å; R19-I21 VanDerWaalsContact C-N 3.26Å; R19-I21 PolarHBondContact O-N 2.71Å; I21-E23 VanDerWaalsContact C-N 3.33Å; I21-Q24 PolarHBondContact O-N 2.94Å; I21-K25 HydrophobicContact CG2-CG 4.43Å; I21-K25 WeakPolarHBondContact O-CB 3.38Å; I21-K25 WeakPolarHBondContact O-CG 3.44Å; I21-K25 PolarHBondContact O-N 3.39Å; I21-V40 HydrophobicContact CB-CG1 4.47Å; I21-V40 HydrophobicContact CG2-CG1 4.33Å; I21-V40 HydrophobicContact CG2-CG2 4.23Å; I21-I407 HydrophobicContact CB-CD1 4.31Å; I21-I407 HydrophobicContact CG1-CD1 4.02Å; I21-I407 HydrophobicContact CG1-CG2 4.42Å; I21-I407 HydrophobicContact CG2-CG2 4.1Å
22V94.6Very high89.7Confident2 Ų271.3 Ų71.31%0.01238%0.378CS..Hα-helixtrans-59-47.4172.1173.90000110.1A18 R19 K25 I26 F38 V40 T283 L381A18-V22 PolarHBondContact O-N 3.01Å; A18-V22 VanDerWaalsContact O-N 3.09Å; R19-V22 WeakPolarHBondContact O-CB 3.41Å; R19-V22 PolarHBondContact O-N 2.96Å; V22-K25 PolarHBondContact O-N 3.35Å; V22-I26 HydrophobicContact CG1-CD1 3.93Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.18Å; V22-F38 HydrophobicContact CG1-CZ 4.49Å; V22-V40 HydrophobicContact CB-CG2 4.44Å; V22-V40 HydrophobicContact CG2-CB 3.76Å; V22-V40 HydrophobicContact CG2-CG1 4.42Å; V22-V40 HydrophobicContact CG2-CG2 3.52Å; V22-T283 HydrophobicContact CG2-CG2 4.39Å; V22-L381 HydrophobicContact CG1-CD1 4.04Å; V22-L381 HydrophobicContact CG1-CD2 3.59Å; V22-L381 HydrophobicContact CG1-CG 4.48Å
23E93.8Very high89.3Confident89 Ų8978.1 Ų78.142%0.41642%0.415SS..Hα-helixtrans-62.5-44.3177.4176.7165.6-165.300112R19 D20 I21 K25 I26 N27R19-E23 PolarHBondContact O-N 3.27Å; D20-E23 PolarHBondContact O-N 3.1Å; I21-E23 VanDerWaalsContact C-N 3.33Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.06Å; E23-I26 PolarHBondContact O-N 3.39Å; E23-N27 WeakPolarHBondContact O-CB 3.44Å; E23-N27 VanDerWaalsContact O-CG 3.22Å; E23-N27 PolarHBondContact O-N 3.4Å; E23-N27 PolarHBondContact O-ND2 3.1Å
24Q92.9Very high89.5Confident88 Ų8877.6 Ų77.641%0.41142%0.416SS..Hα-helixtrans-57-47.6175-178.1-175.1-14.500111.3D20 I21 N27 E28D20-Q24 WeakPolarHBondContact O-CB 3.34Å; D20-Q24 PolarHBondContact O-N 3.34Å; I21-Q24 PolarHBondContact O-N 2.94Å; Q24-N27 PolarHBondContact O-N 3.37Å; Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.38Å; Q24-E28 PolarHBondContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 2.96Å
25K93.9Very high90Very high42 Ų4271.2 Ų71.218%0.18339%0.385CS..Hα-helixtrans-64.1-42.1179.5-74.7-74.3164-151.40112.3I21 V22 E23 N27 E28 M29 F38 Y405I21-K25 HydrophobicContact CG2-CG 4.43Å; I21-K25 WeakPolarHBondContact O-CB 3.38Å; I21-K25 WeakPolarHBondContact O-CG 3.44Å; I21-K25 PolarHBondContact O-N 3.39Å; V22-K25 PolarHBondContact O-N 3.35Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.06Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 2.91Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 3.47Å; K25-E28 PolarHBondContact O-N 3.4Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.25Å; K25-F38 HydrophobicContact CB-CD2 4.49Å; K25-F38 HydrophobicContact CB-CE1 4.29Å; K25-F38 HydrophobicContact CB-CE2 3.64Å; K25-F38 HydrophobicContact CB-CZ 3.52Å; K25-F38 HydrophobicContact CG-CE2 4.25Å; K25-Y405 HydrophobicContact CD-CD1 4.45Å; K25-Y405 HydrophobicContact CD-CD2 4.33Å; K25-Y405 HydrophobicContact CD-CE1 4.34Å; K25-Y405 HydrophobicContact CD-CE2 4.22Å; K25-Y405 HydrophobicContact CD-CG 4.44Å
26I94.4Very high90.7Very high7 Ų772.6 Ų72.64%0.03637%0.373CS..Hα-helixtrans-58.5-43.5173-74.1170.2000110.9V22 E23 M29 S30 F38 H340 W379 L381V22-I26 HydrophobicContact CG1-CD1 3.93Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.18Å; E23-I26 PolarHBondContact O-N 3.39Å; I26-M29 PolarHBondContact O-N 2.9Å; I26-S30 PolarHBondContact O-N 3Å; I26-F38 HydrophobicContact CG1-CE1 4.19Å; I26-F38 HydrophobicContact CG1-CZ 3.97Å; I26-H340 HydrophobicContact CD1-CB 4.23Å; I26-W379 HydrophobicContact CD1-CB 3.85Å; I26-W379 HydrophobicContact CD1-CD2 4.29Å; I26-W379 HydrophobicContact CD1-CG 3.88Å; I26-W379 HydrophobicContact CG1-CB 4.42Å; I26-W379 HydrophobicContact CG1-CD2 3.93Å; I26-W379 HydrophobicContact CG1-CE3 4.47Å; I26-W379 HydrophobicContact CG1-CG 3.9Å; I26-W379 HydrophobicContact CG2-CG 4.15Å; I26-L381 HydrophobicContact CD1-CD2 4.1Å
27N92.9Very high91.2Very high80 Ų8068 Ų6843%0.42835%0.354SS..Hα-helixtrans-69-39.1179.7-70.4-29.6000112.2E23 Q24 K25 M29 S30E23-N27 WeakPolarHBondContact O-CB 3.44Å; E23-N27 VanDerWaalsContact O-CG 3.22Å; E23-N27 PolarHBondContact O-N 3.4Å; E23-N27 PolarHBondContact O-ND2 3.1Å; Q24-N27 PolarHBondContact O-N 3.37Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 2.91Å; N27-M29 VanDerWaalsContact C-N 3.32Å; N27-M29 PolarHBondContact O-N 3.22Å; N27-S30 WeakPolarHBondContact O-CB 3.45Å; N27-S30 PolarHBondContact O-N 2.96Å; N27-S30 PolarHBondContact O-OG 3.13Å
28E91.1Very high91.5Very high95 Ų9565.3 Ų65.344%0.44434%0.336SS..Hα-helixtrans-59.7-43.1173.2-74.4170.7-172.700111.3Q24 K25 S30Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.38Å; Q24-E28 PolarHBondContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 2.96Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 3.47Å; K25-E28 PolarHBondContact O-N 3.4Å; E28-S30 VanDerWaalsContact C-N 3.28Å; E28-S30 PolarHBondContact O-N 2.8Å
29M91Very high92Very high28 Ų2864.1 Ų64.114%0.13833%0.326CS..Hα-helixtrans-75.8-12.5178.2-65.5172.7-176.800113.5K25 I26 N27 M31 S32 F38 W379 Y405K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.25Å; I26-M29 PolarHBondContact O-N 2.9Å; N27-M29 VanDerWaalsContact C-N 3.32Å; N27-M29 PolarHBondContact O-N 3.22Å; M29-M31 PolarHBondContact O-N 3.22Å; M29-S32 PolarHBondContact O-N 3.01Å; M29-S32 VanDerWaalsContact O-N 3.09Å; M29-S32 VanDerWaalsContact O-O 3.06Å; M29-F38 HydrophobicContact CE-CD1 3.69Å; M29-F38 HydrophobicContact CE-CE1 4.04Å; M29-F38 HydrophobicContact CE-CG 4.21Å; M29-F38 HydrophobicContact SD-CD1 3.75Å; M29-F38 HydrophobicContact SD-CE1 3.7Å; M29-W379 HydrophobicContact CB-CZ2 4.33Å; M29-W379 HydrophobicContact SD-CH2 3.82Å; M29-W379 HydrophobicContact SD-CZ2 3.98Å; M29-Y405 HydrophobicContact CE-CE2 4.28Å
30S84.6Confident92.3Very high54 Ų5458.7 Ų58.738%0.37831%0.306SS..THydrogen-bonded Turntrans-64.7-22.8-178.472.90000113.5I26 N27 E28I26-S30 PolarHBondContact O-N 3Å; N27-S30 WeakPolarHBondContact O-CB 3.45Å; N27-S30 PolarHBondContact O-N 2.96Å; N27-S30 PolarHBondContact O-OG 3.13Å; E28-S30 VanDerWaalsContact C-N 3.28Å; E28-S30 PolarHBondContact O-N 2.8Å
31M78.5Confident92.5Very high168 Ų16856.1 Ų56.183%0.82829%0.292SS*.THydrogen-bonded Turntrans-90.4-1.2178.8-59.4-65102.500113.3M29M29-M31 PolarHBondContact O-N 3.22Å
32S85.6Confident92.7Very high50 Ų5056.1 Ų56.135%0.3529%0.292SS..  trans-117.6152.4178.7-171.80000110.7M29 D34 K35M29-S32 PolarHBondContact O-N 3.01Å; M29-S32 VanDerWaalsContact O-N 3.09Å; M29-S32 VanDerWaalsContact O-O 3.06Å; S32-D34 VanDerWaalsContact C-N 3.34Å; S32-D34 PolarHBondContact OG-N 3.11Å; S32-D34 VanDerWaalsContact OG-N 3.13Å; S32-K35 WeakPolarHBondContact O-CE 3.41Å
33D82.3Confident92.9Very high156 Ų15656 Ų5683%0.83429%0.292SS*.SBendtrans-80.7-21168.1-70.1-32.8000111.6K35D33-K35 PolarHBondContact O-N 3.17Å
34D90.1Very high93Very high122 Ų12252 Ų5265%0.65227%0.273SS*.  trans-77.388.2175.5-63.3-24.1000109.9S32S32-D34 VanDerWaalsContact C-N 3.34Å; S32-D34 PolarHBondContact OG-N 3.11Å; S32-D34 VanDerWaalsContact OG-N 3.13Å
35K94.5Very high93.3Very high50 Ų5049 Ų4922%0.21726%0.26CS..  trans-108.748.8-178.3-64.8179.9-175.4173.50111.6S32 D33 N287 N318 W379S32-K35 WeakPolarHBondContact O-CE 3.41Å; D33-K35 PolarHBondContact O-N 3.17Å; K35-N287 HydrophobicContact CB-CB 4.23Å; K35-N287 WeakPolarHBondContact O-CB 3.37Å; K35-N318 PolarHBondContact O-ND2 2.86Å; K35-W379 HydrophobicContact CB-CH2 4.13Å; K35-W379 HydrophobicContact CB-CZ2 3.74Å; K35-W379 HydrophobicContact CG-CZ2 4.19Å; K35-W379 WeakPolarHBondContact O-CH2 3.32Å
36D97.3Very high93.5Very high114 Ų11447 Ų4761%0.6125%0.251SS*.  trans-59.7146179.9-72.5-27.3000111.9W379D36-W379 WeakPolarHBondContact O-CH2 3.15Å
37A98.3Very high93.6Very high8 Ų847.3 Ų47.37%0.06625%0.253CS..  trans-58.5146.3174.300000110.3L284 A285 V286 N318 D319 P402A37-L284 HydrophobicContact CB-CD1 4.47Å; A37-A285 VanDerWaalsContact CA-O 3.26Å; A37-A285 WeakPolarHBondContact CA-O 3.48Å; A37-A285 WeakPolarHBondContact CB-O 3.48Å; A37-V286 HydrophobicContact CB-CG1 4.19Å; A37-N318 PolarHBondContact N-ND2 3.32Å; A37-N318 VanDerWaalsContact N-ND2 3.19Å; A37-D319 HydrophobicContact CB-CB 4.24Å; A37-P402 HydrophobicContact CB-CB 4.2Å; A37-P402 HydrophobicContact CB-CG 3.94Å; A37-P402 WeakPolarHBondContact O-CA 3.48Å; A37-P402 WeakPolarHBondContact O-CB 3.35Å
38F98.3Very high93.9Very high2 Ų249.5 Ų49.51%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-148.3157.3178.768.8-89.8000112.7V22 K25 I26 M29 V40 A285 W379 D403 Y405V22-F38 HydrophobicContact CG1-CZ 4.49Å; K25-F38 HydrophobicContact CB-CD2 4.49Å; K25-F38 HydrophobicContact CB-CE1 4.29Å; K25-F38 HydrophobicContact CB-CE2 3.64Å; K25-F38 HydrophobicContact CB-CZ 3.52Å; K25-F38 HydrophobicContact CG-CE2 4.25Å; I26-F38 HydrophobicContact CG1-CE1 4.19Å; I26-F38 HydrophobicContact CG1-CZ 3.97Å; M29-F38 HydrophobicContact CE-CD1 3.69Å; M29-F38 HydrophobicContact CE-CE1 4.04Å; M29-F38 HydrophobicContact CE-CG 4.21Å; M29-F38 HydrophobicContact SD-CD1 3.75Å; M29-F38 HydrophobicContact SD-CE1 3.7Å; F38-V40 HydrophobicContact CD2-CG2 4.24Å; F38-V40 HydrophobicContact CE2-CG2 3.93Å; F38-A285 HydrophobicContact CD1-CB 4.11Å; F38-A285 HydrophobicContact CD2-CB 4.45Å; F38-A285 HydrophobicContact CE1-CB 3.71Å; F38-A285 HydrophobicContact CE2-CB 4.08Å; F38-A285 HydrophobicContact CG-CB 4.47Å; F38-A285 HydrophobicContact CZ-CB 3.7Å; F38-A285 PolarHBondContact N-O 3.28Å; F38-A285 PolarHBondContact O-N 3.39Å; F38-W379 AromaticContact CD1-CH2 3.95Å; F38-W379 HydrophobicContact CD1-CH2 3.95Å; F38-W379 AromaticContact CD1-CZ3 3.85Å; F38-W379 HydrophobicContact CD1-CZ3 3.85Å; F38-W379 HydrophobicContact CE1-CE3 4.26Å; F38-W379 AromaticContact CE1-CH2 3.77Å; F38-W379 HydrophobicContact CE1-CH2 3.77Å; F38-W379 HydrophobicContact CE1-CZ2 4.44Å; F38-W379 AromaticContact CE1-CZ3 3.67Å; F38-W379 HydrophobicContact CE1-CZ3 3.67Å; F38-D403 CarbonylContact C-O 3.35Å; F38-D403 WeakPolarHBondContact CA-O 3.29Å; F38-Y405 HydrophobicContact CB-CD2 4.05Å; F38-Y405 HydrophobicContact CB-CE2 3.66Å; F38-Y405 AromaticContact CD2-CD2 3.78Å; F38-Y405 HydrophobicContact CD2-CD2 3.78Å; F38-Y405 AromaticContact CD2-CE2 3.96Å; F38-Y405 HydrophobicContact CD2-CE2 3.96Å; F38-Y405 HydrophobicContact CG-CD2 4.2Å; F38-Y405 AromaticContact CG-CE2 3.94Å; F38-Y405 HydrophobicContact CG-CE2 3.94Å
39Y98.6Very high94.2Very high0 Ų045.5 Ų45.50%024%0.24CC..EExtended strand (participates in β ladder)trans-103.2145.5170.5-81-81.9000111.5Y282 T283 L284 S324 M385 V390 P402 D403 I404 Y405Y39-Y282 AromaticContact CD1-CD1 3.75Å; Y39-Y282 HydrophobicContact CD1-CD1 3.75Å; Y39-Y282 HydrophobicContact CD1-CG 4.37Å; Y39-Y282 HydrophobicContact CE1-CD1 4.24Å; Y39-Y282 HydrophobicContact CG-CD1 4.14Å; Y39-T283 WeakPolarHBondContact CA-O 3.37Å; Y39-L284 HydrophobicContact CD1-CB 3.95Å; Y39-L284 HydrophobicContact CD1-CD1 4.43Å; Y39-L284 HydrophobicContact CD2-CD1 4.03Å; Y39-L284 HydrophobicContact CE1-CB 3.53Å; Y39-L284 HydrophobicContact CE1-CD1 4.22Å; Y39-L284 HydrophobicContact CE1-CG 4.33Å; Y39-L284 HydrophobicContact CE2-CD1 3.73Å; Y39-L284 HydrophobicContact CG-CD1 4.36Å; Y39-S324 WeakPolarHBondContact OH-CB 3.41Å; Y39-S324 PolarHBondContact OH-OG 2.8Å; Y39-S324 VanDerWaalsContact OH-OG 3.13Å; Y39-M385 HydrophobicContact CE1-CB 3.78Å; Y39-M385 WeakPolarHBondContact CE1-O 3.49Å; Y39-M385 PolarHBondContact OH-O 3.43Å; Y39-V390 HydrophobicContact CD2-CG1 4.07Å; Y39-V390 HydrophobicContact CE2-CG1 3.45Å; Y39-V390 VanDerWaalsContact CE2-CG1 3.45Å; Y39-P402 HydrophobicContact CD2-CB 3.88Å; Y39-P402 HydrophobicContact CD2-CG 4.49Å; Y39-P402 HydrophobicContact CE2-CB 4.13Å; Y39-P402 HydrophobicContact CE2-CG 4.24Å; Y39-D403 PolarHBondContact N-O 3.44Å; Y39-I404 HydrophobicContact CD2-CG1 4.24Å; Y39-I404 HydrophobicContact CG-CG1 4.48Å; Y39-Y405 WeakPolarHBondContact O-CD2 3.46Å; Y39-Y405 PolarHBondContact O-N 3.23Å
40V98.4Very high94.6Very high2 Ų244.7 Ų44.71%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-108126.6155.21750000108.1A18 I21 V22 F38 Y282 T283 Y405 I407A18-V40 HydrophobicContact CB-CG1 4.45Å; I21-V40 HydrophobicContact CB-CG1 4.47Å; I21-V40 HydrophobicContact CG2-CG1 4.33Å; I21-V40 HydrophobicContact CG2-CG2 4.23Å; V22-V40 HydrophobicContact CB-CG2 4.44Å; V22-V40 HydrophobicContact CG2-CB 3.76Å; V22-V40 HydrophobicContact CG2-CG1 4.42Å; V22-V40 HydrophobicContact CG2-CG2 3.52Å; F38-V40 HydrophobicContact CD2-CG2 4.24Å; F38-V40 HydrophobicContact CE2-CG2 3.93Å; V40-Y282 WeakPolarHBondContact O-CA 3.34Å; V40-T283 PolarHBondContact N-O 3.34Å; V40-T283 PolarHBondContact O-N 3.34Å; V40-Y405 WeakPolarHBondContact CA-O 3.34Å; V40-I407 HydrophobicContact CG1-CD1 3.54Å; V40-I407 HydrophobicContact CG1-CG1 4.11Å
41C98.3Very high95.2Very high0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-112.6110.8177.6177.80000111L43 A281 Y282 I404 Y405 Y406 I407C41-L43 PolarHBondContact O-N 3.1Å; C41-A281 CarbonylContact C-O 3.53Å; C41-A281 WeakPolarHBondContact CA-O 3.28Å; C41-Y282 HydrophobicContact CB-CD1 4.01Å; C41-Y282 HydrophobicContact CB-CD2 4.41Å; C41-Y282 HydrophobicContact CB-CE1 3.75Å; C41-Y282 HydrophobicContact CB-CE2 4.17Å; C41-Y282 HydrophobicContact CB-CG 4.32Å; C41-Y282 WeakPolarHBondContact SG-CE2 3.43Å; C41-I404 HydrophobicContact CB-CG2 3.87Å; C41-Y405 PolarHBondContact N-O 3.08Å; C41-Y406 HydrophobicContact CB-CD1 3.54Å; C41-Y406 HydrophobicContact CB-CE1 3.82Å; C41-Y406 HydrophobicContact CB-CG 4.47Å; C41-Y406 WeakPolarHBondContact O-CA 3.32Å; C41-I407 WeakPolarHBondContact O-CG1 3.44Å; C41-I407 PolarHBondContact O-N 3.38Å
42D97.9Very high96.2Very high21 Ų2139.5 Ų39.511%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-85.999.8175.1-1757.7000111.6A18 S44 D45 A281 I407A18-D42 HydrophobicContact CB-CB 4.06Å; D42-S44 PolarHBondContact O-N 3Å; D42-S44 WeakPolarHBondContact OD1-CA 3.49Å; D42-S44 WeakPolarHBondContact OD1-CB 3.46Å; D42-S44 PolarHBondContact OD1-N 3.4Å; D42-D45 HydrophobicContact CB-CB 4.49Å; D42-D45 WeakPolarHBondContact O-CB 3.43Å; D42-D45 PolarHBondContact O-N 3.05Å; D42-D45 VanDerWaalsContact O-N 3.08Å; D42-A281 PolarHBondContact N-O 2.82Å; D42-I407 HydrophobicContact CB-CD1 4.36Å; D42-I407 HydrophobicContact CB-CG1 4.19Å
43L97.6Very high96.8Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-69.6-18.8177.3-59.5169.7000112.5F4 F9 C41 D45 V46 L47 T73 V74 Y406 I407 M408F4-L43 HydrophobicContact CE1-CD1 4.43Å; F4-L43 HydrophobicContact CZ-CD1 3.94Å; F9-L43 HydrophobicContact CB-CD1 3.94Å; F9-L43 HydrophobicContact CD1-CD1 4.5Å; F9-L43 HydrophobicContact CG-CD1 4.19Å; C41-L43 PolarHBondContact O-N 3.1Å; L43-D45 PolarHBondContact O-N 3.43Å; L43-V46 PolarHBondContact O-N 2.83Å; L43-L47 PolarHBondContact O-N 2.63Å; L43-T73 HydrophobicContact CD1-CG2 3.75Å; L43-T73 HydrophobicContact CD2-CG2 4.19Å; L43-V74 HydrophobicContact CD2-CG2 4.46Å; L43-Y406 HydrophobicContact CD1-CD1 4.47Å; L43-Y406 HydrophobicContact CD2-CD1 4.1Å; L43-Y406 HydrophobicContact CG-CD1 4.36Å; L43-I407 WeakPolarHBondContact CB-O 3.1Å; L43-I407 PolarHBondContact N-O 3.2Å; L43-M408 HydrophobicContact CB-CB 4.29Å; L43-M408 HydrophobicContact CB-CE 3.41Å; L43-M408 VanDerWaalsContact CB-CE 3.41Å; L43-M408 HydrophobicContact CB-CG 4.39Å; L43-M408 HydrophobicContact CD1-CE 3.78Å; L43-M408 HydrophobicContact CG-CE 4.26Å
44S96.8Very high97.5Very high4 Ų431.1 Ų31.13%0.02816%0.158CC..Hα-helixtrans-66.2-28.8170.6-64.20000111.5D42 L47 K48 S409 A412D42-S44 PolarHBondContact O-N 3Å; D42-S44 WeakPolarHBondContact OD1-CA 3.49Å; D42-S44 WeakPolarHBondContact OD1-CB 3.46Å; D42-S44 PolarHBondContact OD1-N 3.4Å; S44-L47 PolarHBondContact O-N 3.39Å; S44-K48 VanDerWaalsContact O-CG 3.3Å; S44-K48 WeakPolarHBondContact O-CG 3.23Å; S44-K48 PolarHBondContact O-N 3.27Å; S44-S409 PolarHBondContact OG-N 3.21Å; S44-S409 PolarHBondContact OG-OG 2.97Å; S44-S409 VanDerWaalsContact OG-OG 3.04Å; S44-A412 WeakPolarHBondContact OG-CB 3.45Å
45D98.2Very high97.8Very high26 Ų2633.7 Ų33.714%0.13916%0.158CC..Hα-helixtrans-65.6-41.5173.3-169.956.5000111.4D42 L43 L47 K48 K49 S280 A281D42-D45 HydrophobicContact CB-CB 4.49Å; D42-D45 WeakPolarHBondContact O-CB 3.43Å; D42-D45 PolarHBondContact O-N 3.05Å; D42-D45 VanDerWaalsContact O-N 3.08Å; L43-D45 PolarHBondContact O-N 3.43Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 3.18Å; D45-K48 WeakPolarHBondContact O-CB 3.05Å; D45-K48 PolarHBondContact O-N 3.5Å; D45-K49 WeakPolarHBondContact O-CG 3.39Å; D45-K49 PolarHBondContact O-N 2.87Å; D45-K49 IonicContact OD2-NZ 2.68Å; D45-K49 PolarHBondContact OD2-NZ 3.45Å; D45-S280 PolarHBondContact OD2-OG 2.88Å; D45-A281 HydrophobicContact CB-CB 4.07Å; D45-A281 PolarHBondContact OD2-N 3.04Å
46V98.4Very high98Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-58.9-42.6176.8-177.30000111.2L43 K49 H50 T77 L78 Y277 A281L43-V46 PolarHBondContact O-N 2.83Å; V46-K49 PolarHBondContact O-N 3.09Å; V46-H50 PolarHBondContact O-N 3.05Å; V46-T77 HydrophobicContact CG1-CG2 4.31Å; V46-L78 HydrophobicContact CG1-CD2 3.7Å; V46-L78 HydrophobicContact CG1-CG 3.94Å; V46-Y277 HydrophobicContact CG1-CD1 4.2Å; V46-A281 HydrophobicContact CG2-CB 4.09Å
47L97.9Very high98Very high13 Ų1326.6 Ų26.67%0.06813%0.125CC..Hα-helixtrans-61.6-47.8172.3169.267.4000111.6L43 S44 D45 K49 H50 M51 L81 A412 C415 I416 I419L43-L47 PolarHBondContact O-N 2.63Å; S44-L47 PolarHBondContact O-N 3.39Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 3.18Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.06Å; L47-H50 WeakPolarHBondContact O-CB 3.44Å; L47-H50 PolarHBondContact O-N 2.63Å; L47-M51 HydrophobicContact CD1-CG 3.99Å; L47-M51 HydrophobicContact CD1-SD 4.43Å; L47-M51 HydrophobicContact CG-CG 4.44Å; L47-M51 WeakPolarHBondContact O-CG 3.35Å; L47-M51 PolarHBondContact O-N 2.77Å; L47-L81 HydrophobicContact CD1-CD2 3.54Å; L47-A412 VanDerWaalsContact CD2-CA 3.47Å; L47-A412 HydrophobicContact CD2-CB 3.53Å; L47-C415 HydrophobicContact CD2-CB 3.89Å; L47-I416 HydrophobicContact CD1-CG1 4.25Å; L47-I416 HydrophobicContact CD2-CG1 4.41Å; L47-I419 HydrophobicContact CD1-CD1 4Å
48K97.9Very high97.9Very high126 Ų12630.5 Ų30.555%0.54815%0.149SC..Hα-helixtrans-57-42.3178.9-71.2168.1-169.7165.40111.1S44 D45 M51 R52S44-K48 VanDerWaalsContact O-CG 3.3Å; S44-K48 WeakPolarHBondContact O-CG 3.23Å; S44-K48 PolarHBondContact O-N 3.27Å; D45-K48 WeakPolarHBondContact O-CB 3.05Å; D45-K48 PolarHBondContact O-N 3.5Å; K48-M51 PolarHBondContact O-N 3.22Å; K48-R52 VanDerWaalsContact O-CB 3.31Å; K48-R52 WeakPolarHBondContact O-CB 3.44Å; K48-R52 PolarHBondContact O-N 3.45Å
49K98.6Very high97.9Very high12 Ų1233.4 Ų33.45%0.05216%0.16CC..Hα-helixtrans-62.6-42.9174.4-65.5-66.9-179.855.40111.9D45 V46 L47 M51 R52 W53 G238 Y276 Y277 S280D45-K49 WeakPolarHBondContact O-CG 3.39Å; D45-K49 PolarHBondContact O-N 2.87Å; D45-K49 IonicContact OD2-NZ 2.68Å; D45-K49 PolarHBondContact OD2-NZ 3.45Å; V46-K49 PolarHBondContact O-N 3.09Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.06Å; K49-M51 PolarHBondContact O-N 3.33Å; K49-R52 PolarHBondContact O-N 3.29Å; K49-W53 WeakPolarHBondContact O-CB 3.45Å; K49-W53 PolarHBondContact O-N 3.35Å; K49-G238 PolarHBondContact NZ-O 3.16Å; K49-Y276 HydrophobicContact CB-CD1 4.35Å; K49-Y276 HydrophobicContact CB-CE1 3.8Å; K49-Y276 HydrophobicContact CD-CE1 4.36Å; K49-Y276 HydrophobicContact CD-CE2 4.31Å; K49-Y276 WeakPolarHBondContact CD-O 3.46Å; K49-Y276 PolarHBondContact NZ-O 2.91Å; K49-Y276 WeakPolarHBondContact O-CE1 3.16Å; K49-Y276 PolarHBondContact O-OH 2.9Å; K49-Y277 HydrophobicContact CB-CD1 4.01Å; K49-Y277 HydrophobicContact CB-CE1 4.36Å; K49-S280 PolarHBondContact NZ-OG 3.31Å
50H98.4Very high97.9Very high10 Ų1033.7 Ų33.75%0.04616%0.162CC..Hα-helixtrans-61.7-44.8177.1-162.872.3000112.6V46 L47 W53 A54 L81 Y277V46-H50 PolarHBondContact O-N 3.05Å; L47-H50 WeakPolarHBondContact O-CB 3.44Å; L47-H50 PolarHBondContact O-N 2.63Å; H50-W53 WeakPolarHBondContact O-CB 3.5Å; H50-W53 PolarHBondContact O-N 2.61Å; H50-A54 PolarHBondContact O-N 2.89Å; H50-L81 HydrophobicContact CB-CD1 3.91Å; H50-L81 PolarHBondContact NE2-O 2.94Å; H50-Y277 HydrophobicContact CB-CE1 3.86Å; H50-Y277 AromaticContact ND1-CE1 3.74Å; H50-Y277 AromaticContact ND1-CZ 3.7Å; H50-Y277 PolarHBondContact ND1-OH 3.46Å
51M97.9Very high97.9Very high68 Ų6836.2 Ų36.234%0.33518%0.178SC..Hα-helixtrans-65.4-40.9176.8-64.3-58.3-66.700111.9L47 K48 K49 A54 R55 I419 M424 P425L47-M51 HydrophobicContact CD1-CG 3.99Å; L47-M51 HydrophobicContact CD1-SD 4.43Å; L47-M51 HydrophobicContact CG-CG 4.44Å; L47-M51 WeakPolarHBondContact O-CG 3.35Å; L47-M51 PolarHBondContact O-N 2.77Å; K48-M51 PolarHBondContact O-N 3.22Å; K49-M51 PolarHBondContact O-N 3.33Å; M51-A54 PolarHBondContact O-N 2.86Å; M51-R55 PolarHBondContact O-N 3.21Å; M51-R55 VanDerWaalsContact O-N 3.13Å; M51-I419 HydrophobicContact SD-CD1 4.25Å; M51-M424 HydrophobicContact CE-CE 4.46Å; M51-M424 HydrophobicContact SD-CE 3.59Å; M51-M424 VanDerWaalsContact SD-CE 3.59Å; M51-M424 HydrophobicContact SD-SD 4.24Å; M51-P425 HydrophobicContact CE-CG 4.14Å
52R98.2Very high97.9Very high45 Ų4536.8 Ų36.817%0.1718%0.181CC..Hα-helixtrans-62.1-42.2175.1-176-178.3-177.4178.61.8111.3K48 K49 R55 A56 E240 F246 E247 Y276K48-R52 VanDerWaalsContact O-CB 3.31Å; K48-R52 WeakPolarHBondContact O-CB 3.44Å; K48-R52 PolarHBondContact O-N 3.45Å; K49-R52 PolarHBondContact O-N 3.29Å; R52-R55 PolarHBondContact O-N 2.84Å; R52-A56 WeakPolarHBondContact O-CB 3.41Å; R52-A56 PolarHBondContact O-N 2.87Å; R52-E240 IonicContact CZ-OE1 2.7Å; R52-E240 VanDerWaalsContact CZ-OE1 3.27Å; R52-E240 IonicContact NH1-OE1 2.64Å; R52-E240 PolarHBondContact NH1-OE1 2.84Å; R52-E240 IonicContact NH2-OE1 2.58Å; R52-E240 PolarHBondContact NH2-OE1 3.37Å; R52-F246 HydrophobicContact CG-CD1 4.18Å; R52-F246 HydrophobicContact CG-CE1 4.1Å; R52-E247 IonicContact CZ-OE1 2.62Å; R52-E247 IonicContact CZ-OE2 3.57Å; R52-E247 IonicContact NE-OE1 2.75Å; R52-E247 PolarHBondContact NE-OE1 2.86Å; R52-E247 IonicContact NE-OE2 2.76Å; R52-E247 VanDerWaalsContact NH2-CD 3.34Å; R52-E247 IonicContact NH2-OE1 4Å; R52-E247 PolarHBondContact NH2-OE1 3.32Å; R52-E247 IonicContact NH2-OE2 3.71Å; R52-E247 PolarHBondContact NH2-OE2 3.13Å; R52-Y276 WeakPolarHBondContact CB-OH 3.41Å
53W98.6Very high98Very high3 Ų335.8 Ų35.81%0.01118%0.176CC..Hα-helixtrans-59.4-52.7175-178.9-77.5000111.7K49 H50 R55 A56 M57 V60 P62 F236 F246 A271 P273 Y276K49-W53 WeakPolarHBondContact O-CB 3.45Å; K49-W53 PolarHBondContact O-N 3.35Å; H50-W53 WeakPolarHBondContact O-CB 3.5Å; H50-W53 PolarHBondContact O-N 2.61Å; W53-R55 PolarHBondContact O-N 2.88Å; W53-A56 PolarHBondContact O-N 3.25Å; W53-A56 VanDerWaalsContact O-N 3.14Å; W53-M57 HydrophobicContact CD2-CE 3.81Å; W53-M57 HydrophobicContact CE3-CE 3.61Å; W53-M57 HydrophobicContact CH2-CE 3.27Å; W53-M57 HydrophobicContact CZ2-CE 3.45Å; W53-M57 VanDerWaalsContact CZ2-CE 3.45Å; W53-M57 HydrophobicContact CZ2-SD 4.5Å; W53-M57 HydrophobicContact CZ3-CE 3.35Å; W53-M57 PolarHBondContact O-N 2.92Å; W53-V60 HydrophobicContact CZ2-CB 4.44Å; W53-V60 HydrophobicContact CZ2-CG1 3.87Å; W53-V60 PolarHBondContact NE1-O 3.19Å; W53-P62 HydrophobicContact CD2-CB 4.21Å; W53-P62 HydrophobicContact CG-CB 4.44Å; W53-P62 HydrophobicContact CG-CG 4.4Å; W53-P62 HydrophobicContact CZ2-CB 4.14Å; W53-F236 AromaticContact CH2-CD2 3.96Å; W53-F236 HydrophobicContact CH2-CD2 3.96Å; W53-F236 AromaticContact CH2-CE2 3.56Å; W53-F236 HydrophobicContact CH2-CE2 3.56Å; W53-F236 AromaticContact CH2-CZ 3.92Å; W53-F236 HydrophobicContact CH2-CZ 3.92Å; W53-F236 AromaticContact CZ3-CD2 3.75Å; W53-F236 HydrophobicContact CZ3-CD2 3.75Å; W53-F236 AromaticContact CZ3-CE2 3.85Å; W53-F236 HydrophobicContact CZ3-CE2 3.85Å; W53-F236 HydrophobicContact CZ3-CG 4.15Å; W53-F236 HydrophobicContact CZ3-CZ 4.3Å; W53-F246 HydrophobicContact CD2-CZ 4.48Å; W53-F246 AromaticContact CE3-CE2 3.96Å; W53-F246 HydrophobicContact CE3-CE2 3.96Å; W53-F246 AromaticContact CE3-CZ 3.86Å; W53-F246 HydrophobicContact CE3-CZ 3.86Å; W53-F246 HydrophobicContact CZ3-CE2 4.07Å; W53-F246 HydrophobicContact CZ3-CZ 4.4Å; W53-A271 HydrophobicContact CH2-CB 3.57Å; W53-A271 HydrophobicContact CZ2-CB 3.56Å; W53-P273 HydrophobicContact CE3-CB 4.36Å; W53-P273 HydrophobicContact CE3-CG 4.29Å; W53-P273 HydrophobicContact CH2-CB 3.97Å; W53-P273 HydrophobicContact CH2-CG 3.72Å; W53-P273 HydrophobicContact CZ2-CG 4.26Å; W53-P273 HydrophobicContact CZ3-CB 3.64Å; W53-P273 HydrophobicContact CZ3-CG 3.74Å; W53-Y276 HydrophobicContact CB-CE1 3.96Å; W53-Y276 HydrophobicContact CD2-CE1 4.47Å; W53-Y276 AromaticContact CE3-CD1 3.86Å; W53-Y276 HydrophobicContact CE3-CD1 3.86Å; W53-Y276 AromaticContact CE3-CE1 3.71Å; W53-Y276 HydrophobicContact CE3-CE1 3.71Å; W53-Y276 HydrophobicContact CE3-CG 4.4Å; W53-Y276 HydrophobicContact CZ3-CD1 4.39Å; W53-Y276 PolarHBondContact N-OH 3.29Å
54A96.9Very high98Very high28 Ų2835.8 Ų35.823%0.23118%0.176CC..Hα-helixtrans-58.8-34.5-178.600000112.5H50 M51 P58 M424H50-A54 PolarHBondContact O-N 2.89Å; M51-A54 PolarHBondContact O-N 2.86Å; A54-P58 WeakPolarHBondContact O-CA 3.48Å; A54-M424 HydrophobicContact CB-CE 3.73Å
55R97.7Very high98.1Very high176 Ų17635.7 Ų35.766%0.66418%0.175SC*.Hα-helixtrans-74.1-43.7174.9-175.7177.464.6-148.2-0.2112.9M51 R52 W53M51-R55 PolarHBondContact O-N 3.21Å; M51-R55 VanDerWaalsContact O-N 3.13Å; R52-R55 PolarHBondContact O-N 2.84Å; W53-R55 PolarHBondContact O-N 2.88Å
56A98.1Very high98.1Very high15 Ų1534.4 Ų34.412%0.12417%0.168CC..Hα-helixtrans-78.8-31.7-173.500000113.2R52 W53 F246 T250 N254R52-A56 WeakPolarHBondContact O-CB 3.41Å; R52-A56 PolarHBondContact O-N 2.87Å; W53-A56 PolarHBondContact O-N 3.25Å; W53-A56 VanDerWaalsContact O-N 3.14Å; A56-F246 HydrophobicContact CB-CD1 4.36Å; A56-F246 HydrophobicContact CB-CE1 3.48Å; A56-F246 VanDerWaalsContact CB-CE1 3.48Å; A56-F246 HydrophobicContact CB-CZ 4.02Å; A56-T250 HydrophobicContact CB-CG2 4.05Å; A56-N254 PolarHBondContact O-ND2 3.11Å
57M97.3Very high98.1Very high0 Ų038.2 Ų38.20%019%0.185CC..  trans-134.468.1179.9-70.7-172.9-74.200110.9W53 R59 V60 I232 F236 F246 T250 I253W53-M57 HydrophobicContact CD2-CE 3.81Å; W53-M57 HydrophobicContact CE3-CE 3.61Å; W53-M57 HydrophobicContact CH2-CE 3.27Å; W53-M57 HydrophobicContact CZ2-CE 3.45Å; W53-M57 VanDerWaalsContact CZ2-CE 3.45Å; W53-M57 HydrophobicContact CZ2-SD 4.5Å; W53-M57 HydrophobicContact CZ3-CE 3.35Å; W53-M57 PolarHBondContact O-N 2.92Å; M57-R59 PolarHBondContact O-N 3.34Å; M57-V60 HydrophobicContact CB-CB 3.94Å; M57-V60 HydrophobicContact CB-CG2 3.92Å; M57-V60 HydrophobicContact CG-CG2 4.48Å; M57-V60 PolarHBondContact O-N 3.45Å; M57-V60 HydrophobicContact SD-CG2 4.32Å; M57-I232 HydrophobicContact SD-CD1 4.3Å; M57-F236 HydrophobicContact CE-CD1 4.49Å; M57-F236 HydrophobicContact CE-CE1 3.99Å; M57-F236 HydrophobicContact CE-CZ 4.17Å; M57-F236 HydrophobicContact SD-CE1 4.39Å; M57-F246 HydrophobicContact CE-CE2 3.61Å; M57-F246 HydrophobicContact CE-CZ 3.64Å; M57-T250 HydrophobicContact CE-CG2 3.81Å; M57-T250 HydrophobicContact CG-CG2 3.62Å; M57-T250 HydrophobicContact SD-CG2 3.8Å; M57-I253 HydrophobicContact SD-CD1 4.38Å; M57-I253 HydrophobicContact SD-CG2 4.3Å
58P96.4Very high98.2Very high90 Ų9037.6 Ų37.658%0.58418%0.182SC*.THydrogen-bonded Turntrans-63.4-20-172.525.8-35.5000114.1A54A54-P58 WeakPolarHBondContact O-CA 3.48Å
59R97.6Very high98.2Very high62 Ų6231.6 Ų31.623%0.23416%0.155CC..THydrogen-bonded Turntrans-88.4-8.1178.1-60.9-179.660.7-152.4-12.3113.6M57 D258 F261M57-R59 PolarHBondContact O-N 3.34Å; R59-D258 IonicContact CZ-OD1 3.86Å; R59-D258 IonicContact NH1-OD1 3Å; R59-D258 PolarHBondContact NH1-OD1 3.36Å; R59-F261 PolarHBondContact NH1-O 3.2Å; R59-F261 PolarHBondContact NH2-O 3.3Å
60V98.6Very high98.2Very high6 Ų634.5 Ų34.54%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-113.4114.8-168.6-172.60000110.5W53 M57 I232 L257 I269 A271W53-V60 HydrophobicContact CZ2-CB 4.44Å; W53-V60 HydrophobicContact CZ2-CG1 3.87Å; W53-V60 PolarHBondContact NE1-O 3.19Å; M57-V60 HydrophobicContact CB-CB 3.94Å; M57-V60 HydrophobicContact CB-CG2 3.92Å; M57-V60 HydrophobicContact CG-CG2 4.48Å; M57-V60 PolarHBondContact O-N 3.45Å; M57-V60 HydrophobicContact SD-CG2 4.32Å; V60-I232 HydrophobicContact CG1-CD1 3.99Å; V60-I232 HydrophobicContact CG1-CG1 4.38Å; V60-I232 HydrophobicContact CG2-CD1 4.32Å; V60-L257 HydrophobicContact CG2-CD1 3.77Å; V60-I269 WeakPolarHBondContact CA-O 3.49Å; V60-I269 HydrophobicContact CG1-CG2 4.25Å; V60-I269 HydrophobicContact CG2-CB 4.46Å; V60-I269 HydrophobicContact CG2-CG2 3.91Å; V60-A271 HydrophobicContact CG1-CB 3.67Å
61T98.6Very high98.1Very high56 Ų5634.7 Ų34.734%0.34417%0.174SC..EExtended strand (participates in β ladder)trans-80.7123.9176.7-52.80000110.5F63 I269 I270 A271T61-F63 HydrophobicContact CG2-CD2 4.36Å; T61-F63 HydrophobicContact CG2-CE2 3.96Å; T61-I269 PolarHBondContact N-O 2.95Å; T61-I270 VanDerWaalsContact O-CA 3.24Å; T61-I270 WeakPolarHBondContact O-CA 3.39Å; T61-I270 WeakPolarHBondContact O-CB 3.5Å; T61-A271 PolarHBondContact O-N 2.84Å; T61-A271 VanDerWaalsContact O-N 3.11Å
62P98.8Very high98Very high11 Ų1138.5 Ų38.57%0.07119%0.185CC..EExtended strand (participates in β ladder)trans-77.5129.8178.829.4-31.2000111.8W53 G84 P273 Y277W53-P62 HydrophobicContact CD2-CB 4.21Å; W53-P62 HydrophobicContact CG-CB 4.44Å; W53-P62 HydrophobicContact CG-CG 4.4Å; W53-P62 HydrophobicContact CZ2-CB 4.14Å; P62-G84 PolarHBondContact O-N 3Å; P62-P273 HydrophobicContact CB-CG 3.88Å; P62-Y277 HydrophobicContact CB-CE2 4.01Å; P62-Y277 WeakPolarHBondContact CB-OH 3.41Å; P62-Y277 VanDerWaalsContact CG-OH 3.25Å; P62-Y277 WeakPolarHBondContact CG-OH 3.25Å
63F98.9Very high97.9Very high1 Ų137.1 Ų37.10%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-109.4105.6166.6-79.3-118.8000108.7T61 A65 G84 R105 I107 M128 I270 A271 E272 P273T61-F63 HydrophobicContact CG2-CD2 4.36Å; T61-F63 HydrophobicContact CG2-CE2 3.96Å; F63-A65 PolarHBondContact O-N 3.1Å; F63-G84 CarbonylContact C-O 3.5Å; F63-G84 VanDerWaalsContact CA-C 3.47Å; F63-G84 WeakPolarHBondContact CA-O 3.47Å; F63-R105 VanDerWaalsContact CE1-O 3.29Å; F63-R105 WeakPolarHBondContact CE1-O 3.43Å; F63-I107 HydrophobicContact CB-CG2 4.34Å; F63-I107 HydrophobicContact CD1-CB 4.23Å; F63-I107 HydrophobicContact CD1-CG2 3.7Å; F63-I107 HydrophobicContact CE1-CB 4.44Å; F63-I107 HydrophobicContact CE1-CG2 4.39Å; F63-I107 HydrophobicContact CG-CG2 4.29Å; F63-M128 HydrophobicContact CE1-CE 4.3Å; F63-M128 HydrophobicContact CZ-CE 4.44Å; F63-I270 HydrophobicContact CD2-CB 3.9Å; F63-I270 HydrophobicContact CD2-CD1 4.18Å; F63-I270 HydrophobicContact CD2-CG2 4.06Å; F63-I270 HydrophobicContact CE2-CB 4.03Å; F63-I270 HydrophobicContact CE2-CD1 4.28Å; F63-I270 HydrophobicContact CE2-CG2 3.65Å; F63-I270 HydrophobicContact CG-CD1 4.44Å; F63-I270 HydrophobicContact CZ-CG2 4.48Å; F63-A271 WeakPolarHBondContact CA-O 3.5Å; F63-A271 WeakPolarHBondContact CB-O 3.42Å; F63-A271 PolarHBondContact N-O 3.19Å; F63-E272 CarbonylContact O-C 3.56Å; F63-E272 VanDerWaalsContact O-CA 3.24Å; F63-E272 WeakPolarHBondContact O-CA 3.4Å; F63-P273 WeakPolarHBondContact O-CD 3.38Å
64Y98.9Very high97.8Very high0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-63.9126.1-175.6175.6-112.1000111.5V66 N69 V74 L78 G84 F85 D86 P273 Y277 V278Y64-V66 HydrophobicContact CD1-CG2 4.32Å; Y64-V66 PolarHBondContact O-N 3.4Å; Y64-V66 VanDerWaalsContact O-N 3.11Å; Y64-N69 WeakPolarHBondContact OH-CB 3.34Å; Y64-N69 PolarHBondContact OH-N 3.41Å; Y64-N69 PolarHBondContact OH-O 3.24Å; Y64-V74 HydrophobicContact CE1-CG1 4.49Å; Y64-L78 HydrophobicContact CD1-CD1 3.63Å; Y64-L78 HydrophobicContact CD2-CD1 3.56Å; Y64-L78 HydrophobicContact CE1-CD1 4.05Å; Y64-L78 HydrophobicContact CE2-CD1 4Å; Y64-L78 HydrophobicContact CG-CD1 3.37Å; Y64-G84 PolarHBondContact N-O 3.28Å; Y64-F85 HydrophobicContact CD1-CD1 4.24Å; Y64-F85 HydrophobicContact CD1-CE1 4.3Å; Y64-F85 WeakPolarHBondContact O-CA 3.27Å; Y64-D86 PolarHBondContact O-N 2.78Å; Y64-P273 WeakPolarHBondContact CA-O 3.39Å; Y64-P273 WeakPolarHBondContact CD2-O 3.48Å; Y64-Y277 AromaticContact CD2-CD2 3.97Å; Y64-Y277 HydrophobicContact CD2-CD2 3.97Å; Y64-Y277 HydrophobicContact CD2-CG 4.3Å; Y64-V278 HydrophobicContact CE2-CG1 3.98Å
65A98.8Very high97.9Very high1 Ų135.7 Ų35.71%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-75.197.2175.700000110.5F63 K67 C68 D86 P273F63-A65 PolarHBondContact O-N 3.1Å; A65-K67 VanDerWaalsContact C-N 3.26Å; A65-K67 HydrophobicContact CB-CG 4.36Å; A65-K67 PolarHBondContact O-N 3.01Å; A65-C68 VanDerWaalsContact O-CB 3.23Å; A65-C68 WeakPolarHBondContact O-CB 3.38Å; A65-C68 PolarHBondContact O-N 3.05Å; A65-D86 HydrophobicContact CB-CB 4.44Å; A65-D86 WeakPolarHBondContact CB-OD2 3.42Å; A65-P273 PolarHBondContact N-O 3.07Å
66V98.8Very high97.8Very high0 Ų028.1 Ų28.10%014%0.143CC..G310 helixtrans-56.7-38.8-170.4178.60000112.3Y64 C68 N69 D70 V75 F85 D86 E92 V96Y64-V66 HydrophobicContact CD1-CG2 4.32Å; Y64-V66 PolarHBondContact O-N 3.4Å; Y64-V66 VanDerWaalsContact O-N 3.11Å; V66-C68 PolarHBondContact O-N 3.04Å; V66-N69 CarbonylContact O-C 3.5Å; V66-N69 PolarHBondContact O-N 3.27Å; V66-N69 VanDerWaalsContact O-N 3.16Å; V66-D70 HydrophobicContact CG1-CB 4Å; V66-D70 PolarHBondContact O-N 2.96Å; V66-V75 HydrophobicContact CG1-CG2 4.47Å; V66-F85 HydrophobicContact CG2-CB 4.21Å; V66-F85 HydrophobicContact CG2-CD1 3.85Å; V66-F85 HydrophobicContact CG2-CG 4.48Å; V66-D86 PolarHBondContact N-O 2.86Å; V66-D86 VanDerWaalsContact N-O 3.1Å; V66-E92 HydrophobicContact CB-CB 4.36Å; V66-E92 HydrophobicContact CB-CG 4.2Å; V66-E92 HydrophobicContact CG1-CB 4.16Å; V66-E92 HydrophobicContact CG1-CG 3.86Å; V66-V96 HydrophobicContact CG2-CG2 3.89Å
67K98.1Very high97.7Very high80 Ų8027.4 Ų27.435%0.34814%0.137SC..G310 helixtrans-50.7-21.9174.961.6179.9177.5-820115.7A65 D86A65-K67 VanDerWaalsContact C-N 3.26Å; A65-K67 HydrophobicContact CB-CG 4.36Å; A65-K67 PolarHBondContact O-N 3.01Å; K67-D86 IonicContact NZ-OD1 2.74Å; K67-D86 IonicContact NZ-OD2 3.81Å; K67-D86 PolarHBondContact NZ-OD2 2.87Å
68C98.4Very high97.7Very high0 Ų027.4 Ų27.40%014%0.137CC..G310 helixtrans-71.1-42.9-179.2-179.60000112A65 V66 R275 V278 Y388A65-C68 VanDerWaalsContact O-CB 3.23Å; A65-C68 WeakPolarHBondContact O-CB 3.38Å; A65-C68 PolarHBondContact O-N 3.05Å; V66-C68 PolarHBondContact O-N 3.04Å; C68-R275 VanDerWaalsContact SG-CA 3.59Å; C68-R275 PolarHBondContact SG-N 3.06Å; C68-V278 VanDerWaalsContact SG-CG2 3.58Å; C68-Y388 HydrophobicContact CB-CE1 4.14Å; C68-Y388 HydrophobicContact CB-CE2 4.47Å; C68-Y388 PolarHBondContact O-N 3.19Å
69N98.6Very high97.8Very high0 Ų023.9 Ų23.90%012%0.116CC..  trans-160.6106.3172.9-171.1-37.3000108.4Y64 V66 S71 V278 Y282 G386Y64-N69 WeakPolarHBondContact OH-CB 3.34Å; Y64-N69 PolarHBondContact OH-N 3.41Å; Y64-N69 PolarHBondContact OH-O 3.24Å; V66-N69 CarbonylContact O-C 3.5Å; V66-N69 PolarHBondContact O-N 3.27Å; V66-N69 VanDerWaalsContact O-N 3.16Å; N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.42Å; N69-S71 WeakPolarHBondContact OD1-CB 3.39Å; N69-S71 PolarHBondContact OD1-N 3.15Å; N69-S71 VanDerWaalsContact OD1-N 3.1Å; N69-S71 PolarHBondContact OD1-OG 3.06Å; N69-V278 HydrophobicContact CB-CG2 4.08Å; N69-Y282 VanDerWaalsContact ND2-CZ 3.32Å; N69-Y282 PolarHBondContact ND2-OH 3.46Å; N69-G386 WeakPolarHBondContact CB-O 3.23Å; N69-G386 PolarHBondContact ND2-O 3.09Å
70D97.9Very high97.6Very high72 Ų7222 Ų2239%0.38511%0.112SC..  trans-89.613.3-174.563.8-24.7000113.3V66 R72V66-D70 HydrophobicContact CG1-CB 4Å; V66-D70 PolarHBondContact O-N 2.96Å; D70-R72 PolarHBondContact O-N 3.41Å; D70-R72 VanDerWaalsContact O-N 3.16Å
71S97.1Very high97.5Very high15 Ų1521.8 Ų21.811%0.10511%0.111CC..  trans-52.2121.2174.3-68.70000110.9N69 T73 V74 V75 Y282 Y406N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.42Å; N69-S71 WeakPolarHBondContact OD1-CB 3.39Å; N69-S71 PolarHBondContact OD1-N 3.15Å; N69-S71 VanDerWaalsContact OD1-N 3.1Å; N69-S71 PolarHBondContact OD1-OG 3.06Å; S71-T73 PolarHBondContact O-N 2.98Å; S71-T73 VanDerWaalsContact O-N 3.13Å; S71-V74 WeakPolarHBondContact O-CB 3.18Å; S71-V74 PolarHBondContact O-N 3.49Å; S71-V75 PolarHBondContact O-N 3.38Å; S71-V75 VanDerWaalsContact O-N 3.09Å; S71-Y282 PolarHBondContact OG-OH 3.3Å; S71-Y406 WeakPolarHBondContact CB-OH 3.43Å; S71-Y406 PolarHBondContact OG-OH 3Å
72R95.9Very high97.3Very high148 Ų14821.1 Ų21.156%0.55812%0.115SC*.Hα-helixtrans-54.1-39.5-176.1-168175.6-166.9-177.63.9112.5D70 V75 T76 L99D70-R72 PolarHBondContact O-N 3.41Å; D70-R72 VanDerWaalsContact O-N 3.16Å; R72-V75 PolarHBondContact O-N 2.96Å; R72-T76 WeakPolarHBondContact O-CB 3.29Å; R72-T76 PolarHBondContact O-N 3.42Å; R72-T76 PolarHBondContact O-OG1 2.62Å; R72-L99 HydrophobicContact CG-CD2 4.05Å
73T96.3Very high97.3Very high16 Ų1620.7 Ų20.710%0.09811%0.112CC..Hα-helixtrans-60.8-45.7178.5-47.30000111.5F4 D8 L43 S71 T76 T77 Y406F4-T73 HydrophobicContact CE2-CG2 4.46Å; F4-T73 HydrophobicContact CZ-CG2 4.15Å; D8-T73 HydrophobicContact CB-CG2 4.47Å; L43-T73 HydrophobicContact CD1-CG2 3.75Å; L43-T73 HydrophobicContact CD2-CG2 4.19Å; S71-T73 PolarHBondContact O-N 2.98Å; S71-T73 VanDerWaalsContact O-N 3.13Å; T73-T76 PolarHBondContact O-N 3.1Å; T73-T77 PolarHBondContact O-N 3.05Å; T73-T77 PolarHBondContact O-OG1 3.3Å; T73-Y406 HydrophobicContact CG2-CD1 3.83Å; T73-Y406 HydrophobicContact CG2-CD2 4.13Å; T73-Y406 HydrophobicContact CG2-CE1 4.2Å; T73-Y406 HydrophobicContact CG2-CE2 4.46Å; T73-Y406 HydrophobicContact CG2-CG 3.81Å; T73-Y406 WeakPolarHBondContact OG1-CE2 3.37Å
74V96.6Very high97.2Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-63-48.4177171.90000111.5L43 Y64 S71 T76 T77 L78 V278 Y282L43-V74 HydrophobicContact CD2-CG2 4.46Å; Y64-V74 HydrophobicContact CE1-CG1 4.49Å; S71-V74 WeakPolarHBondContact O-CB 3.18Å; S71-V74 PolarHBondContact O-N 3.49Å; V74-T76 PolarHBondContact O-N 2.84Å; V74-T77 PolarHBondContact O-N 3.37Å; V74-L78 HydrophobicContact CG1-CD1 3.96Å; V74-L78 PolarHBondContact O-N 2.97Å; V74-V278 HydrophobicContact CG1-CG1 3.66Å; V74-Y282 HydrophobicContact CG2-CE2 4.17Å; V74-Y282 WeakPolarHBondContact CG2-OH 3.43Å
75V97.8Very high97.2Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-60.6-39179-1770000110.2V66 S71 R72 L78 A79 F85 I95 V96 L99V66-V75 HydrophobicContact CG1-CG2 4.47Å; S71-V75 PolarHBondContact O-N 3.38Å; S71-V75 VanDerWaalsContact O-N 3.09Å; R72-V75 PolarHBondContact O-N 2.96Å; V75-L78 PolarHBondContact O-N 3.49Å; V75-A79 VanDerWaalsContact O-CB 3.29Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 2.72Å; V75-F85 HydrophobicContact CB-CE1 4.44Å; V75-F85 HydrophobicContact CG1-CD1 4.15Å; V75-F85 HydrophobicContact CG1-CE1 3.54Å; V75-F85 HydrophobicContact CG1-CZ 4.01Å; V75-F85 WeakPolarHBondContact O-CZ 3.37Å; V75-I95 HydrophobicContact CG1-CG2 4.4Å; V75-V96 HydrophobicContact CG1-CG2 4.11Å; V75-L99 HydrophobicContact CB-CD1 3.91Å; V75-L99 HydrophobicContact CG1-CD1 3.49Å; V75-L99 VanDerWaalsContact CG1-CD1 3.49Å
76T96.4Very high97.3Very high18 Ų1820.7 Ų20.711%0.1111%0.113CC..Hα-helixtrans-66.9-43176.8-47.80000111.2F4 R72 T73 V74 L78 A79 S80 L99F4-T76 HydrophobicContact CD2-CG2 3.51Å; F4-T76 HydrophobicContact CE2-CG2 4.08Å; R72-T76 WeakPolarHBondContact O-CB 3.29Å; R72-T76 PolarHBondContact O-N 3.42Å; R72-T76 PolarHBondContact O-OG1 2.62Å; T73-T76 PolarHBondContact O-N 3.1Å; V74-T76 PolarHBondContact O-N 2.84Å; T76-L78 PolarHBondContact O-N 2.76Å; T76-A79 PolarHBondContact O-N 3.19Å; T76-S80 PolarHBondContact O-N 3.09Å; T76-S80 PolarHBondContact O-OG 3.37Å; T76-L99 HydrophobicContact CG2-CD2 4.44Å; T76-L99 WeakPolarHBondContact OG1-CD2 3.22Å
77T96.5Very high97.3Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-58.7-47.9176.1-560000111.1F4 V46 T73 V74 A79 S80 L81 M408 I416F4-T77 WeakPolarHBondContact CE2-OG1 3.5Å; F4-T77 WeakPolarHBondContact CZ-OG1 3.34Å; V46-T77 HydrophobicContact CG1-CG2 4.31Å; T73-T77 PolarHBondContact O-N 3.05Å; T73-T77 PolarHBondContact O-OG1 3.3Å; V74-T77 PolarHBondContact O-N 3.37Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 2.95Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.95Å; T77-L81 HydrophobicContact CG2-CD1 4.2Å; T77-L81 WeakPolarHBondContact O-CG 3.28Å; T77-L81 PolarHBondContact O-N 3.01Å; T77-M408 HydrophobicContact CG2-CE 4.45Å; T77-I416 HydrophobicContact CG2-CD1 4.06Å
78L97.8Very high97.3Very high0 Ų018 Ų180%011%0.105CC..Hα-helixtrans-67.1-34.5178.8-72.2167000112.5V46 Y64 V74 V75 T76 S80 L81 G82 A83 F85 Y277V46-L78 HydrophobicContact CG1-CD2 3.7Å; V46-L78 HydrophobicContact CG1-CG 3.94Å; Y64-L78 HydrophobicContact CD1-CD1 3.63Å; Y64-L78 HydrophobicContact CD2-CD1 3.56Å; Y64-L78 HydrophobicContact CE1-CD1 4.05Å; Y64-L78 HydrophobicContact CE2-CD1 4Å; Y64-L78 HydrophobicContact CG-CD1 3.37Å; V74-L78 HydrophobicContact CG1-CD1 3.96Å; V74-L78 PolarHBondContact O-N 2.97Å; V75-L78 PolarHBondContact O-N 3.49Å; T76-L78 PolarHBondContact O-N 2.76Å; L78-S80 VanDerWaalsContact C-N 3.34Å; L78-L81 HydrophobicContact CD2-CD1 4.35Å; L78-L81 PolarHBondContact O-N 3.04Å; L78-G82 PolarHBondContact O-N 3.44Å; L78-A83 HydrophobicContact CB-CB 4.3Å; L78-A83 WeakPolarHBondContact O-CB 3.48Å; L78-A83 PolarHBondContact O-N 3.24Å; L78-A83 VanDerWaalsContact O-N 3.14Å; L78-F85 HydrophobicContact CB-CE1 4.22Å; L78-F85 HydrophobicContact CB-CZ 4.2Å; L78-Y277 HydrophobicContact CD2-CD1 3.54Å; L78-Y277 HydrophobicContact CD2-CE1 3.58Å; L78-Y277 HydrophobicContact CD2-CG 4.04Å
79A96.6Very high97.3Very high16 Ų1619.4 Ų19.413%0.13212%0.115CC..Hα-helixtrans-63.4-42.3175.200000111.3V75 T76 T77 L81 G82 F85 V101 R105V75-A79 VanDerWaalsContact O-CB 3.29Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 2.72Å; T76-A79 PolarHBondContact O-N 3.19Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 2.95Å; A79-L81 VanDerWaalsContact C-N 3.32Å; A79-G82 PolarHBondContact O-N 2.83Å; A79-F85 HydrophobicContact CB-CE2 4.03Å; A79-F85 HydrophobicContact CB-CZ 3.8Å; A79-V101 HydrophobicContact CB-CG2 3.69Å; A79-R105 PolarHBondContact O-NH1 3.3Å; A79-R105 PolarHBondContact O-NH2 3.39Å
80S94.9Very high97.3Very high22 Ų2223.3 Ų23.315%0.15413%0.132CC..Hα-helixtrans-64.5-33.2174.3-70.40000112.8T76 T77 L78 G82 C420T76-S80 PolarHBondContact O-N 3.09Å; T76-S80 PolarHBondContact O-OG 3.37Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.95Å; L78-S80 VanDerWaalsContact C-N 3.34Å; S80-G82 PolarHBondContact O-N 3.01Å; S80-C420 PolarHBondContact O-SG 2.84Å
81L95.6Very high97.3Very high2 Ų224 Ų241%0.0114%0.139CC..THydrogen-bonded Turntrans-74.5-6174.5-70.8168.7000113.9L47 H50 T77 L78 A79 I416 I419L47-L81 HydrophobicContact CD1-CD2 3.54Å; H50-L81 HydrophobicContact CB-CD1 3.91Å; H50-L81 PolarHBondContact NE2-O 2.94Å; T77-L81 HydrophobicContact CG2-CD1 4.2Å; T77-L81 WeakPolarHBondContact O-CG 3.28Å; T77-L81 PolarHBondContact O-N 3.01Å; L78-L81 HydrophobicContact CD2-CD1 4.35Å; L78-L81 PolarHBondContact O-N 3.04Å; A79-L81 VanDerWaalsContact C-N 3.32Å; L81-I416 HydrophobicContact CD2-CG1 3.86Å; L81-I416 HydrophobicContact CG-CG1 4.45Å; L81-I419 HydrophobicContact CD2-CD1 3.78Å
82G95.3Very high97.4Very high42 Ų4224.6 Ų24.643%0.43314%0.14SC..THydrogen-bonded Turntrans92.3-1.8178.500000114.8L78 A79 S80 R105L78-G82 PolarHBondContact O-N 3.44Å; A79-G82 PolarHBondContact O-N 2.83Å; S80-G82 PolarHBondContact O-N 3.01Å; G82-R105 PolarHBondContact O-NH1 2.95Å; G82-R105 VanDerWaalsContact O-NH1 3.12Å
83A97.3Very high97.6Very high1 Ų117.5 Ų17.51%0.00811%0.114CC..  trans-60152.9-178.400000113.1L78 R105L78-A83 HydrophobicContact CB-CB 4.3Å; L78-A83 WeakPolarHBondContact O-CB 3.48Å; L78-A83 PolarHBondContact O-N 3.24Å; L78-A83 VanDerWaalsContact O-N 3.14Å; A83-R105 VanDerWaalsContact O-CZ 3.27Å; A83-R105 PolarHBondContact O-NH1 2.75Å
84G98.7Very high97.7Very high2 Ų220.3 Ų20.32%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-80.5179.6163.800000111.8P62 F63 Y64 R105P62-G84 PolarHBondContact O-N 3Å; F63-G84 CarbonylContact C-O 3.5Å; F63-G84 VanDerWaalsContact CA-C 3.47Å; F63-G84 WeakPolarHBondContact CA-O 3.47Å; Y64-G84 PolarHBondContact N-O 3.28Å; G84-R105 CarbonylContact C-O 3.55Å; G84-R105 VanDerWaalsContact CA-O 3.25Å; G84-R105 WeakPolarHBondContact CA-O 3.1Å
85F98.9Very high97.7Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-137.2122.8178.9-63.8-84.4000111.5Y64 V66 V75 L78 A79 V96 V101 R105 I106 I107Y64-F85 HydrophobicContact CD1-CD1 4.24Å; Y64-F85 HydrophobicContact CD1-CE1 4.3Å; Y64-F85 WeakPolarHBondContact O-CA 3.27Å; V66-F85 HydrophobicContact CG2-CB 4.21Å; V66-F85 HydrophobicContact CG2-CD1 3.85Å; V66-F85 HydrophobicContact CG2-CG 4.48Å; V75-F85 HydrophobicContact CB-CE1 4.44Å; V75-F85 HydrophobicContact CG1-CD1 4.15Å; V75-F85 HydrophobicContact CG1-CE1 3.54Å; V75-F85 HydrophobicContact CG1-CZ 4.01Å; V75-F85 WeakPolarHBondContact O-CZ 3.37Å; L78-F85 HydrophobicContact CB-CE1 4.22Å; L78-F85 HydrophobicContact CB-CZ 4.2Å; A79-F85 HydrophobicContact CB-CE2 4.03Å; A79-F85 HydrophobicContact CB-CZ 3.8Å; F85-V96 HydrophobicContact CB-CG1 4.02Å; F85-V96 HydrophobicContact CB-CG2 3.88Å; F85-V96 HydrophobicContact CD1-CG2 3.89Å; F85-V96 HydrophobicContact CD2-CG1 3.54Å; F85-V96 HydrophobicContact CD2-CG2 4.33Å; F85-V96 HydrophobicContact CE2-CG1 4.17Å; F85-V96 HydrophobicContact CG-CB 4.45Å; F85-V96 HydrophobicContact CG-CG1 3.76Å; F85-V96 HydrophobicContact CG-CG2 3.74Å; F85-V101 HydrophobicContact CD2-CG1 3.94Å; F85-V101 HydrophobicContact CD2-CG2 4.47Å; F85-V101 HydrophobicContact CE2-CG1 4.04Å; F85-V101 HydrophobicContact CE2-CG2 3.89Å; F85-R105 PolarHBondContact N-O 3.4Å; F85-I106 WeakPolarHBondContact O-CA 3.22Å; F85-I107 PolarHBondContact O-N 3.3Å
86D98.9Very high97.7Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-82.2114.5162.8155.831.5000107.8Y64 A65 V66 K67 I107 A109 E272Y64-D86 PolarHBondContact O-N 2.78Å; A65-D86 HydrophobicContact CB-CB 4.44Å; A65-D86 WeakPolarHBondContact CB-OD2 3.42Å; V66-D86 PolarHBondContact N-O 2.86Å; V66-D86 VanDerWaalsContact N-O 3.1Å; K67-D86 IonicContact NZ-OD1 2.74Å; K67-D86 IonicContact NZ-OD2 3.81Å; K67-D86 PolarHBondContact NZ-OD2 2.87Å; D86-I107 HydrophobicContact CB-CG2 4Å; D86-A109 VanDerWaalsContact OD1-CB 3.31Å; D86-A109 WeakPolarHBondContact OD1-CB 3.11Å; D86-E272 HydrophobicContact CB-CB 4.32Å; D86-E272 HydrophobicContact CB-CG 4.13Å
87C98.9Very high97.8Very high0 Ų023.3 Ų23.30%014%0.139CC..  trans-110.6136.1175.7-65.70000110.6E92 I93 I106 I107 Y108 A109C87-E92 VanDerWaalsContact CA-OE2 3.3Å; C87-E92 WeakPolarHBondContact CA-OE2 3.49Å; C87-E92 HydrophobicContact CB-CB 3.92Å; C87-I93 HydrophobicContact CB-CG1 3.75Å; C87-I106 HydrophobicContact CB-CG2 4.15Å; C87-I107 PolarHBondContact N-O 2.99Å; C87-Y108 CarbonylContact O-C 3.5Å; C87-Y108 VanDerWaalsContact O-CA 3.31Å; C87-Y108 WeakPolarHBondContact O-CA 3.47Å; C87-Y108 WeakPolarHBondContact O-CD2 3.19Å; C87-A109 PolarHBondContact O-N 3.4Å; C87-A109 VanDerWaalsContact O-N 3.15Å
88A98.5Very high97.8Very high24 Ų2426.2 Ų26.220%0.19816%0.159CC..  trans-105-7179.400000114.1E92 Y108 N110A88-E92 PolarHBondContact N-OE2 3.33Å; A88-Y108 VanDerWaalsContact C-CE2 3.4Å; A88-Y108 WeakPolarHBondContact O-CE2 3.39Å; A88-N110 HydrophobicContact CB-CB 4.41Å; A88-N110 PolarHBondContact O-ND2 3.2Å; A88-N110 VanDerWaalsContact O-ND2 3.1Å
89S98.8Very high97.7Very high30 Ų3027 Ų2721%0.2116%0.163CC..SBendtrans-151.3164.6-176.373.80000113.6T91 E92 I93S89-T91 PolarHBondContact O-N 3.4Å; S89-T91 PolarHBondContact OG-N 3.05Å; S89-E92 PolarHBondContact O-N 2.73Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-I93 WeakPolarHBondContact O-CG1 3.27Å; S89-I93 PolarHBondContact O-N 3.17Å; S89-I93 VanDerWaalsContact O-N 3.13Å
90K98.7Very high97.7Very high82 Ų8228.6 Ų28.636%0.35718%0.182SC..Hα-helixtrans-50.6-42.9168.9169.5179172.2-173.70112.5I93 Q94 Q117 Y120K90-I93 PolarHBondContact O-N 3.14Å; K90-Q94 VanDerWaalsContact CE-NE2 3.35Å; K90-Q94 HydrophobicContact CG-CG 4.47Å; K90-Q94 WeakPolarHBondContact O-CG 3.25Å; K90-Q94 PolarHBondContact O-N 3.2Å; K90-Q117 HydrophobicContact CB-CB 4.48Å; K90-Q117 HydrophobicContact CB-CG 4.04Å; K90-Y120 HydrophobicContact CB-CD1 4.27Å; K90-Y120 HydrophobicContact CB-CG 4.48Å; K90-Y120 HydrophobicContact CD-CD1 4.38Å; K90-Y120 HydrophobicContact CD-CD2 3.78Å; K90-Y120 HydrophobicContact CD-CE2 4.15Å; K90-Y120 HydrophobicContact CD-CG 3.91Å; K90-Y120 VanDerWaalsContact CE-CE2 3.5Å; K90-Y120 HydrophobicContact CG-CD1 3.75Å; K90-Y120 HydrophobicContact CG-CD2 4.01Å; K90-Y120 HydrophobicContact CG-CE1 3.94Å; K90-Y120 HydrophobicContact CG-CE2 4.15Å; K90-Y120 HydrophobicContact CG-CG 3.81Å
91T98.7Very high97.8Very high87 Ų8728 Ų2853%0.53418%0.178SC..Hα-helixtrans-67.2-40.5-175.9-53.40000111.3S89 Q94 I95S89-T91 PolarHBondContact O-N 3.4Å; S89-T91 PolarHBondContact OG-N 3.05Å; T91-Q94 WeakPolarHBondContact O-CB 2.94Å; T91-Q94 PolarHBondContact O-N 3.4Å; T91-I95 HydrophobicContact CG2-CD1 4.35Å; T91-I95 WeakPolarHBondContact O-CG1 3.47Å; T91-I95 PolarHBondContact O-N 2.68Å
92E98.8Very high97.9Very high26 Ų2632.8 Ų32.812%0.12120%0.203CC..Hα-helixtrans-65.6-42175.9-68.7175-15800111.6V66 C87 A88 S89 Q94 I95 V96V66-E92 HydrophobicContact CB-CB 4.36Å; V66-E92 HydrophobicContact CB-CG 4.2Å; V66-E92 HydrophobicContact CG1-CB 4.16Å; V66-E92 HydrophobicContact CG1-CG 3.86Å; C87-E92 VanDerWaalsContact CA-OE2 3.3Å; C87-E92 WeakPolarHBondContact CA-OE2 3.49Å; C87-E92 HydrophobicContact CB-CB 3.92Å; A88-E92 PolarHBondContact N-OE2 3.33Å; S89-E92 PolarHBondContact O-N 2.73Å; S89-E92 PolarHBondContact OG-N 3.37Å; E92-Q94 VanDerWaalsContact C-N 3.26Å; E92-Q94 PolarHBondContact O-N 2.89Å; E92-I95 PolarHBondContact O-N 2.62Å; E92-V96 WeakPolarHBondContact O-CG2 3.27Å; E92-V96 PolarHBondContact O-N 3.05Å
93I98.8Very high98Very high0 Ų031.6 Ų31.60%019%0.189CC..Hα-helixtrans-57.5-43.3172.5-65.1169.2000110.3C87 S89 K90 V96 Q97 I106 Y108 Y120 A121 V126C87-I93 HydrophobicContact CB-CG1 3.75Å; S89-I93 WeakPolarHBondContact O-CG1 3.27Å; S89-I93 PolarHBondContact O-N 3.17Å; S89-I93 VanDerWaalsContact O-N 3.13Å; K90-I93 PolarHBondContact O-N 3.14Å; I93-V96 PolarHBondContact O-N 3.27Å; I93-Q97 HydrophobicContact CG2-CG 4.2Å; I93-Q97 WeakPolarHBondContact O-CB 3.48Å; I93-Q97 WeakPolarHBondContact O-CG 3.29Å; I93-Q97 PolarHBondContact O-N 2.89Å; I93-I106 HydrophobicContact CG1-CG2 4.47Å; I93-Y108 HydrophobicContact CD1-CD1 3.74Å; I93-Y108 HydrophobicContact CD1-CE1 3.93Å; I93-Y108 HydrophobicContact CD1-CG 4.16Å; I93-Y120 HydrophobicContact CB-CE1 4.37Å; I93-Y120 HydrophobicContact CG2-CE1 3.93Å; I93-A121 HydrophobicContact CD1-CB 4.28Å; I93-V126 HydrophobicContact CG2-CG2 3.86Å
94Q98.5Very high98.1Very high75 Ų7535 Ų3535%0.3521%0.212SC..Hα-helixtrans-61.8-45.7177.1-77.4176-40.100112.4K90 T91 E92 S98 Y120K90-Q94 VanDerWaalsContact CE-NE2 3.35Å; K90-Q94 HydrophobicContact CG-CG 4.47Å; K90-Q94 WeakPolarHBondContact O-CG 3.25Å; K90-Q94 PolarHBondContact O-N 3.2Å; T91-Q94 WeakPolarHBondContact O-CB 2.94Å; T91-Q94 PolarHBondContact O-N 3.4Å; E92-Q94 VanDerWaalsContact C-N 3.26Å; E92-Q94 PolarHBondContact O-N 2.89Å; Q94-S98 WeakPolarHBondContact O-CB 3.3Å; Q94-S98 PolarHBondContact O-N 3.18Å; Q94-S98 PolarHBondContact O-OG 3.47Å; Q94-Y120 HydrophobicContact CG-CE1 4.12Å; Q94-Y120 WeakPolarHBondContact CG-OH 3.41Å; Q94-Y120 PolarHBondContact NE2-OH 3Å
95I97.2Very high98Very high36 Ų3637.2 Ų37.219%0.18522%0.22CC..Hα-helixtrans-56.9-54.5177.1-69.3165000109.3V75 T91 E92 Q97 S98 L99V75-I95 HydrophobicContact CG1-CG2 4.4Å; T91-I95 HydrophobicContact CG2-CD1 4.35Å; T91-I95 WeakPolarHBondContact O-CG1 3.47Å; T91-I95 PolarHBondContact O-N 2.68Å; E92-I95 PolarHBondContact O-N 2.62Å; I95-Q97 PolarHBondContact O-N 3.18Å; I95-S98 PolarHBondContact O-N 2.85Å; I95-S98 PolarHBondContact O-OG 3.45Å; I95-L99 PolarHBondContact O-N 3.34Å
96V98.3Very high98Very high0 Ų037.2 Ų37.20%022%0.22CC..Hα-helixtrans-62.3-47.3-176.6173.40000111.6V66 V75 F85 E92 I93 S98 L99 V101 I106V66-V96 HydrophobicContact CG2-CG2 3.89Å; V75-V96 HydrophobicContact CG1-CG2 4.11Å; F85-V96 HydrophobicContact CB-CG1 4.02Å; F85-V96 HydrophobicContact CB-CG2 3.88Å; F85-V96 HydrophobicContact CD1-CG2 3.89Å; F85-V96 HydrophobicContact CD2-CG1 3.54Å; F85-V96 HydrophobicContact CD2-CG2 4.33Å; F85-V96 HydrophobicContact CE2-CG1 4.17Å; F85-V96 HydrophobicContact CG-CB 4.45Å; F85-V96 HydrophobicContact CG-CG1 3.76Å; F85-V96 HydrophobicContact CG-CG2 3.74Å; E92-V96 WeakPolarHBondContact O-CG2 3.27Å; E92-V96 PolarHBondContact O-N 3.05Å; I93-V96 PolarHBondContact O-N 3.27Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.86Å; V96-L99 PolarHBondContact O-N 2.82Å; V96-V101 HydrophobicContact CG1-CB 3.58Å; V96-V101 HydrophobicContact CG1-CG1 3.66Å; V96-V101 HydrophobicContact CG1-CG2 3.95Å; V96-V101 WeakPolarHBondContact O-CB 3.45Å; V96-V101 WeakPolarHBondContact O-CG2 3.37Å; V96-I106 HydrophobicContact CB-CD1 4.24Å; V96-I106 HydrophobicContact CG1-CD1 3.71Å; V96-I106 HydrophobicContact CG1-CG1 3.87Å
97Q98.2Very high98Very high44 Ų4437.2 Ų37.221%0.20622%0.22CC..Hα-helixtrans-67.2-32.3178.5-71-173-37.900112.9I93 I95 L99 G100 I106 H124I93-Q97 HydrophobicContact CG2-CG 4.2Å; I93-Q97 WeakPolarHBondContact O-CB 3.48Å; I93-Q97 WeakPolarHBondContact O-CG 3.29Å; I93-Q97 PolarHBondContact O-N 2.89Å; I95-Q97 PolarHBondContact O-N 3.18Å; Q97-L99 PolarHBondContact O-N 3.39Å; Q97-L99 VanDerWaalsContact O-N 3.16Å; Q97-G100 WeakPolarHBondContact O-CA 3.27Å; Q97-G100 PolarHBondContact O-N 3.1Å; Q97-I106 HydrophobicContact CG-CD1 3.81Å; Q97-H124 PolarHBondContact NE2-O 3.21Å
98S97.3Very high98Very high61 Ų6137.3 Ų37.343%0.42722%0.221SC..Hα-helixtrans-63.5-19.6176.579.50000113.5Q94 I95 V96 G100Q94-S98 WeakPolarHBondContact O-CB 3.3Å; Q94-S98 PolarHBondContact O-N 3.18Å; Q94-S98 PolarHBondContact O-OG 3.47Å; I95-S98 PolarHBondContact O-N 2.85Å; I95-S98 PolarHBondContact O-OG 3.45Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.86Å; S98-G100 VanDerWaalsContact C-N 3.28Å
99L95.4Very high98Very high16 Ų1636.6 Ų36.68%0.08422%0.215CC..THydrogen-bonded Turntrans-87.10.5174.4-59.6173.6000112.4R72 V75 T76 I95 V96 Q97 V101R72-L99 HydrophobicContact CG-CD2 4.05Å; V75-L99 HydrophobicContact CB-CD1 3.91Å; V75-L99 HydrophobicContact CG1-CD1 3.49Å; V75-L99 VanDerWaalsContact CG1-CD1 3.49Å; T76-L99 HydrophobicContact CG2-CD2 4.44Å; T76-L99 WeakPolarHBondContact OG1-CD2 3.22Å; I95-L99 PolarHBondContact O-N 3.34Å; V96-L99 PolarHBondContact O-N 2.82Å; Q97-L99 PolarHBondContact O-N 3.39Å; Q97-L99 VanDerWaalsContact O-N 3.16Å; L99-V101 HydrophobicContact CB-CG2 4.41Å
100G95.8Very high98Very high51 Ų5137.1 Ų37.153%0.52622%0.215SC..THydrogen-bonded Turntrans80.120.8-179.200000113.8Q97 S98Q97-G100 WeakPolarHBondContact O-CA 3.27Å; Q97-G100 PolarHBondContact O-N 3.1Å; S98-G100 VanDerWaalsContact C-N 3.28Å
101V97.2Very high98Very high10 Ų1033.2 Ų33.26%0.06120%0.198CC..  trans-74128.2174177.10000110A79 F85 V96 L99 R105A79-V101 HydrophobicContact CB-CG2 3.69Å; F85-V101 HydrophobicContact CD2-CG1 3.94Å; F85-V101 HydrophobicContact CD2-CG2 4.47Å; F85-V101 HydrophobicContact CE2-CG1 4.04Å; F85-V101 HydrophobicContact CE2-CG2 3.89Å; V96-V101 HydrophobicContact CG1-CB 3.58Å; V96-V101 HydrophobicContact CG1-CG1 3.66Å; V96-V101 HydrophobicContact CG1-CG2 3.95Å; V96-V101 WeakPolarHBondContact O-CB 3.45Å; V96-V101 WeakPolarHBondContact O-CG2 3.37Å; L99-V101 HydrophobicContact CB-CG2 4.41Å; V101-R105 HydrophobicContact CG1-CB 3.97Å
102D97.8Very high98Very high102 Ų10232.2 Ų32.255%0.54519%0.194SC..  trans-64.7142.7176.6-172.9-94.2000111.9S104 R105D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 WeakPolarHBondContact OD1-CB 3.41Å; D102-S104 PolarHBondContact OD1-N 3.32Å; D102-S104 PolarHBondContact OD1-OG 3.17Å; D102-R105 PolarHBondContact O-N 2.95Å
103A98.1Very high98Very high16 Ų1631 Ų3113%0.13219%0.189CC..G310 helixtrans-62.2-22.8-177.400000113.5R105 I106 G125 V126A103-R105 PolarHBondContact O-N 3.31Å; A103-I106 PolarHBondContact O-N 3.13Å; A103-I106 VanDerWaalsContact O-N 3.07Å; A103-G125 VanDerWaalsContact CB-O 3.3Å; A103-G125 WeakPolarHBondContact CB-O 3.17Å; A103-V126 HydrophobicContact CB-CG2 4.1Å
104S97.8Very high98Very high72 Ų7236.7 Ų36.750%0.50322%0.215SC..G310 helixtrans-66.9-17.1174.266.10000114D102 M128D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 WeakPolarHBondContact OD1-CB 3.41Å; D102-S104 PolarHBondContact OD1-N 3.32Å; D102-S104 PolarHBondContact OD1-OG 3.17Å; S104-M128 WeakPolarHBondContact O-CE 3.36Å
105R98.5Very high98Very high50 Ų5035.9 Ų35.919%0.18922%0.215CC..G310 helixtrans-94.611.8172.1-64.7-157.8-47.3175.63.2113F63 A79 G82 A83 G84 F85 V101 D102 A103F63-R105 VanDerWaalsContact CE1-O 3.29Å; F63-R105 WeakPolarHBondContact CE1-O 3.43Å; A79-R105 PolarHBondContact O-NH1 3.3Å; A79-R105 PolarHBondContact O-NH2 3.39Å; G82-R105 PolarHBondContact O-NH1 2.95Å; G82-R105 VanDerWaalsContact O-NH1 3.12Å; A83-R105 VanDerWaalsContact O-CZ 3.27Å; A83-R105 PolarHBondContact O-NH1 2.75Å; G84-R105 CarbonylContact C-O 3.55Å; G84-R105 VanDerWaalsContact CA-O 3.25Å; G84-R105 WeakPolarHBondContact CA-O 3.1Å; F85-R105 PolarHBondContact N-O 3.4Å; V101-R105 HydrophobicContact CG1-CB 3.97Å; D102-R105 PolarHBondContact O-N 2.95Å; A103-R105 PolarHBondContact O-N 3.31Å
106I98.9Very high98.1Very high0 Ų037 Ų370%023%0.226CC..EExtended strand (participates in β ladder)trans-113.4129.5176.3-57.4177.4000109.3F85 C87 I93 V96 Q97 A103 V126F85-I106 WeakPolarHBondContact O-CA 3.22Å; C87-I106 HydrophobicContact CB-CG2 4.15Å; I93-I106 HydrophobicContact CG1-CG2 4.47Å; V96-I106 HydrophobicContact CB-CD1 4.24Å; V96-I106 HydrophobicContact CG1-CD1 3.71Å; V96-I106 HydrophobicContact CG1-CG1 3.87Å; Q97-I106 HydrophobicContact CG-CD1 3.81Å; A103-I106 PolarHBondContact O-N 3.13Å; A103-I106 VanDerWaalsContact O-N 3.07Å; I106-V126 HydrophobicContact CB-CG1 4.16Å; I106-V126 HydrophobicContact CB-CG2 4.43Å; I106-V126 HydrophobicContact CD1-CG2 4.17Å; I106-V126 HydrophobicContact CG2-CG1 3.75Å; I106-V126 HydrophobicContact CG2-CG2 4.36Å
107I98.9Very high98.1Very high0 Ų039.1 Ų39.10%024%0.236CC..EExtended strand (participates in β ladder)trans-108.4127161-172.2170.4000108.3F63 F85 D86 C87 A109 M128 T130 V150 I270F63-I107 HydrophobicContact CB-CG2 4.34Å; F63-I107 HydrophobicContact CD1-CB 4.23Å; F63-I107 HydrophobicContact CD1-CG2 3.7Å; F63-I107 HydrophobicContact CE1-CB 4.44Å; F63-I107 HydrophobicContact CE1-CG2 4.39Å; F63-I107 HydrophobicContact CG-CG2 4.29Å; F85-I107 PolarHBondContact O-N 3.3Å; D86-I107 HydrophobicContact CB-CG2 4Å; C87-I107 PolarHBondContact N-O 2.99Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 HydrophobicContact CD1-CB 4.48Å; I107-A109 HydrophobicContact CG1-CB 4.22Å; I107-A109 HydrophobicContact CG2-CB 4.31Å; I107-A109 PolarHBondContact O-N 3.18Å; I107-M128 HydrophobicContact CB-CB 4.48Å; I107-M128 HydrophobicContact CG1-CB 4.16Å; I107-T130 HydrophobicContact CD1-CG2 4.43Å; I107-V150 HydrophobicContact CD1-CG2 4.39Å; I107-I270 HydrophobicContact CD1-CD1 3.97Å
108Y98.8Very high98.1Very high1 Ų137 Ų370%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-87.178.3173.6-168171.5000108.9C87 A88 I93 N110 K113 Q117 A121 M128 M129 T130C87-Y108 CarbonylContact O-C 3.5Å; C87-Y108 VanDerWaalsContact O-CA 3.31Å; C87-Y108 WeakPolarHBondContact O-CA 3.47Å; C87-Y108 WeakPolarHBondContact O-CD2 3.19Å; A88-Y108 VanDerWaalsContact C-CE2 3.4Å; A88-Y108 WeakPolarHBondContact O-CE2 3.39Å; I93-Y108 HydrophobicContact CD1-CD1 3.74Å; I93-Y108 HydrophobicContact CD1-CE1 3.93Å; I93-Y108 HydrophobicContact CD1-CG 4.16Å; Y108-N110 VanDerWaalsContact C-N 3.26Å; Y108-N110 HydrophobicContact CD2-CB 4.1Å; Y108-N110 HydrophobicContact CE2-CB 3.77Å; Y108-N110 PolarHBondContact O-N 3.15Å; Y108-N110 VanDerWaalsContact O-N 3.16Å; Y108-K113 HydrophobicContact CD1-CD 3.84Å; Y108-K113 HydrophobicContact CD2-CD 3.93Å; Y108-K113 HydrophobicContact CD2-CG 4.37Å; Y108-K113 HydrophobicContact CE1-CD 3.77Å; Y108-K113 HydrophobicContact CE1-CG 4.19Å; Y108-K113 HydrophobicContact CE2-CD 3.84Å; Y108-K113 HydrophobicContact CE2-CG 3.83Å; Y108-K113 HydrophobicContact CG-CD 3.95Å; Y108-Q117 HydrophobicContact CE1-CB 4.45Å; Y108-Q117 WeakPolarHBondContact OH-CB 3.23Å; Y108-Q117 PolarHBondContact OH-OE1 3.28Å; Y108-Q117 VanDerWaalsContact OH-OE1 3.06Å; Y108-A121 HydrophobicContact CD1-CB 3.81Å; Y108-A121 HydrophobicContact CE1-CB 4.19Å; Y108-M128 PolarHBondContact N-O 2.71Å; Y108-M129 WeakPolarHBondContact O-CA 3.41Å; Y108-T130 PolarHBondContact O-N 3.16Å
109A98.4Very high98.2Very high9 Ų939.8 Ų39.87%0.07423%0.231CC..  trans-8830.9-168.500000115.3D86 C87 I107 P111 T130 E272D86-A109 VanDerWaalsContact OD1-CB 3.31Å; D86-A109 WeakPolarHBondContact OD1-CB 3.11Å; C87-A109 PolarHBondContact O-N 3.4Å; C87-A109 VanDerWaalsContact O-N 3.15Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 HydrophobicContact CD1-CB 4.48Å; I107-A109 HydrophobicContact CG1-CB 4.22Å; I107-A109 HydrophobicContact CG2-CB 4.31Å; I107-A109 PolarHBondContact O-N 3.18Å; A109-P111 WeakPolarHBondContact O-CD 3.33Å; A109-T130 VanDerWaalsContact CA-OG1 3.27Å; A109-T130 WeakPolarHBondContact CA-OG1 3.38Å; A109-T130 HydrophobicContact CB-CG2 3.83Å; A109-T130 PolarHBondContact O-OG1 2.85Å; A109-E272 WeakPolarHBondContact CB-OE1 3.01Å
110N98.7Very high98.3Very high41 Ų4140.7 Ų40.722%0.21923%0.233CC..  trans-90.9117165.2-177.8-11.8000109.5A88 Y108 C112 K113 T130A88-N110 HydrophobicContact CB-CB 4.41Å; A88-N110 PolarHBondContact O-ND2 3.2Å; A88-N110 VanDerWaalsContact O-ND2 3.1Å; Y108-N110 VanDerWaalsContact C-N 3.26Å; Y108-N110 HydrophobicContact CD2-CB 4.1Å; Y108-N110 HydrophobicContact CE2-CB 3.77Å; Y108-N110 PolarHBondContact O-N 3.15Å; Y108-N110 VanDerWaalsContact O-N 3.16Å; N110-C112 VanDerWaalsContact C-N 3.26Å; N110-C112 PolarHBondContact O-N 3.16Å; N110-C112 PolarHBondContact OD1-N 3.13Å; N110-C112 PolarHBondContact OD1-O 2.84Å; N110-K113 HydrophobicContact CB-CG 4.04Å; N110-K113 VanDerWaalsContact O-CD 3.28Å; N110-K113 WeakPolarHBondContact O-CD 3.31Å; N110-K113 WeakPolarHBondContact O-CG 3.14Å; N110-K113 PolarHBondContact O-NZ 2.87Å; N110-T130 VanDerWaalsContact C-OG1 3.29Å; N110-T130 PolarHBondContact N-OG1 3.45Å
111P98.4Very high98.5Very high1 Ų138.3 Ų38.31%0.00621%0.208CC..SBendtrans-67.5-24.1-178.8-21.734.4000113.9A109 K113 D132 E136 F168A109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-K113 PolarHBondContact O-NZ 2.95Å; P111-D132 HydrophobicContact CB-CB 4.5Å; P111-D132 WeakPolarHBondContact CB-OD2 3.42Å; P111-E136 WeakPolarHBondContact O-CG 3.3Å; P111-F168 HydrophobicContact CB-CD1 4.1Å; P111-F168 HydrophobicContact CB-CE1 4.49Å; P111-F168 HydrophobicContact CG-CB 4.47Å; P111-F168 HydrophobicContact CG-CD1 3.82Å; P111-F168 HydrophobicContact CG-CE1 4.29Å; P111-F168 HydrophobicContact CG-CG 4.26Å
112C98.4Very high98.5Very high65 Ų6540 Ų4044%0.43922%0.22SC..SBendtrans-122.881.6-170.7-67.50000111.5N110 F168N110-C112 VanDerWaalsContact C-N 3.26Å; N110-C112 PolarHBondContact O-N 3.16Å; N110-C112 PolarHBondContact OD1-N 3.13Å; N110-C112 PolarHBondContact OD1-O 2.84Å; C112-F168 HydrophobicContact CB-CE1 4.45Å
113K98.7Very high98.6Very high2 Ų239 Ų391%0.00923%0.226CC..  trans-97.2141.3-167.3-65.8162.6-66.2-56.60112.9Y108 N110 P111 V115 I118 T130 E136 K139Y108-K113 HydrophobicContact CD1-CD 3.84Å; Y108-K113 HydrophobicContact CD2-CD 3.93Å; Y108-K113 HydrophobicContact CD2-CG 4.37Å; Y108-K113 HydrophobicContact CE1-CD 3.77Å; Y108-K113 HydrophobicContact CE1-CG 4.19Å; Y108-K113 HydrophobicContact CE2-CD 3.84Å; Y108-K113 HydrophobicContact CE2-CG 3.83Å; Y108-K113 HydrophobicContact CG-CD 3.95Å; N110-K113 HydrophobicContact CB-CG 4.04Å; N110-K113 VanDerWaalsContact O-CD 3.28Å; N110-K113 WeakPolarHBondContact O-CD 3.31Å; N110-K113 WeakPolarHBondContact O-CG 3.14Å; N110-K113 PolarHBondContact O-NZ 2.87Å; P111-K113 PolarHBondContact O-NZ 2.95Å; K113-V115 PolarHBondContact O-N 3.04Å; K113-I118 HydrophobicContact CB-CD1 3.98Å; K113-I118 HydrophobicContact CB-CG1 3.6Å; K113-I118 HydrophobicContact CD-CG1 4.29Å; K113-T130 PolarHBondContact NZ-O 2.55Å; K113-E136 WeakPolarHBondContact CB-OE1 3.27Å; K113-E136 VanDerWaalsContact CE-OE1 3.23Å; K113-E136 WeakPolarHBondContact CE-OE1 3.03Å; K113-E136 PolarHBondContact N-OE1 2.92Å; K113-E136 IonicContact NZ-OE1 3.87Å; K113-E136 PolarHBondContact NZ-OE1 3.18Å; K113-K139 WeakPolarHBondContact O-CE 3.33Å; K113-K139 PolarHBondContact O-NZ 2.95Å
114Q98.7Very high98.6Very high119 Ų11941.9 Ų41.956%0.55624%0.237SC*.  trans-64.1137.3169.4-169.9-176.54.100110.3S116 Q117 I118Q114-S116 VanDerWaalsContact C-N 3.26Å; Q114-S116 WeakPolarHBondContact CG-OG 3.31Å; Q114-S116 PolarHBondContact NE2-OG 2.9Å; Q114-S116 PolarHBondContact O-N 3.31Å; Q114-Q117 HydrophobicContact CB-CG 4.19Å; Q114-Q117 WeakPolarHBondContact O-CA 3.36Å; Q114-Q117 WeakPolarHBondContact O-CB 2.94Å; Q114-Q117 PolarHBondContact O-N 3.33Å; Q114-I118 PolarHBondContact O-N 3.02Å; Q114-I118 VanDerWaalsContact O-N 3.09Å
115V98.8Very high98.6Very high57 Ų5740.2 Ų40.235%0.34523%0.231SC..Hα-helixtrans-53.6-40.7-176.91700000113K113 Q117 I118 K119 K139 C143K113-V115 PolarHBondContact O-N 3.04Å; V115-Q117 VanDerWaalsContact C-N 3.25Å; V115-Q117 PolarHBondContact O-N 2.69Å; V115-I118 PolarHBondContact O-N 3.12Å; V115-K119 WeakPolarHBondContact O-CG 3.26Å; V115-K119 PolarHBondContact O-N 3.15Å; V115-K139 HydrophobicContact CG2-CB 4.38Å; V115-K139 HydrophobicContact CG2-CD 4.37Å; V115-K139 HydrophobicContact CG2-CG 3.96Å; V115-C143 VanDerWaalsContact CG1-SG 3.59Å
116S98.6Very high98.6Very high61 Ų6137.8 Ų37.843%0.42722%0.222SC..Hα-helixtrans-61.5-32.7176.3520000112.9Q114 Y120Q114-S116 VanDerWaalsContact C-N 3.26Å; Q114-S116 WeakPolarHBondContact CG-OG 3.31Å; Q114-S116 PolarHBondContact NE2-OG 2.9Å; Q114-S116 PolarHBondContact O-N 3.31Å; S116-Y120 PolarHBondContact O-N 2.91Å
117Q98.7Very high98.6Very high44 Ų4442.1 Ų42.121%0.20624%0.242CC..Hα-helixtrans-79.7-32.4178-58.8-169.640.200112.1K90 Y108 Q114 V115 K119 Y120 A121K90-Q117 HydrophobicContact CB-CB 4.48Å; K90-Q117 HydrophobicContact CB-CG 4.04Å; Y108-Q117 HydrophobicContact CE1-CB 4.45Å; Y108-Q117 WeakPolarHBondContact OH-CB 3.23Å; Y108-Q117 PolarHBondContact OH-OE1 3.28Å; Y108-Q117 VanDerWaalsContact OH-OE1 3.06Å; Q114-Q117 HydrophobicContact CB-CG 4.19Å; Q114-Q117 WeakPolarHBondContact O-CA 3.36Å; Q114-Q117 WeakPolarHBondContact O-CB 2.94Å; Q114-Q117 PolarHBondContact O-N 3.33Å; V115-Q117 VanDerWaalsContact C-N 3.25Å; V115-Q117 PolarHBondContact O-N 2.69Å; Q117-K119 VanDerWaalsContact C-N 3.34Å; Q117-Y120 WeakPolarHBondContact O-CB 3.46Å; Q117-Y120 PolarHBondContact O-N 3.37Å; Q117-A121 PolarHBondContact O-N 3.02Å
118I98.8Very high98.6Very high0 Ų043.1 Ų43.10%025%0.247CC..Hα-helixtrans-60.3-46.1168.9-61.1173.6000110.2K113 Q114 V115 Y120 A121 S122 M129 K139 C143 H144K113-I118 HydrophobicContact CB-CD1 3.98Å; K113-I118 HydrophobicContact CB-CG1 3.6Å; K113-I118 HydrophobicContact CD-CG1 4.29Å; Q114-I118 PolarHBondContact O-N 3.02Å; Q114-I118 VanDerWaalsContact O-N 3.09Å; V115-I118 PolarHBondContact O-N 3.12Å; I118-Y120 VanDerWaalsContact C-N 3.29Å; I118-Y120 PolarHBondContact O-N 3.46Å; I118-A121 PolarHBondContact O-N 3.25Å; I118-S122 PolarHBondContact O-N 2.9Å; I118-M129 HydrophobicContact CG2-CE 4.49Å; I118-K139 HydrophobicContact CD1-CB 3.95Å; I118-C143 HydrophobicContact CG2-CB 3.9Å; I118-H144 HydrophobicContact CG2-CB 3.88Å
119K98.7Very high98.6Very high119 Ų11943 Ų4352%0.51725%0.246SC..Hα-helixtrans-61.3-38.7175.5-70.2-179.5178.6-174.60112.1V115 Q117 S122 A123 C143V115-K119 WeakPolarHBondContact O-CG 3.26Å; V115-K119 PolarHBondContact O-N 3.15Å; Q117-K119 VanDerWaalsContact C-N 3.34Å; K119-S122 PolarHBondContact O-N 3Å; K119-A123 WeakPolarHBondContact O-CB 3.4Å; K119-A123 PolarHBondContact O-N 2.9Å; K119-C143 HydrophobicContact CG-CB 3.92Å
120Y98.8Very high98.6Very high35 Ų3542.7 Ų42.714%0.13724%0.243CC..Hα-helixtrans-61-50.3175.6-177-88000111.3K90 I93 Q94 S116 Q117 I118 S122 A123 H124K90-Y120 HydrophobicContact CB-CD1 4.27Å; K90-Y120 HydrophobicContact CB-CG 4.48Å; K90-Y120 HydrophobicContact CD-CD1 4.38Å; K90-Y120 HydrophobicContact CD-CD2 3.78Å; K90-Y120 HydrophobicContact CD-CE2 4.15Å; K90-Y120 HydrophobicContact CD-CG 3.91Å; K90-Y120 VanDerWaalsContact CE-CE2 3.5Å; K90-Y120 HydrophobicContact CG-CD1 3.75Å; K90-Y120 HydrophobicContact CG-CD2 4.01Å; K90-Y120 HydrophobicContact CG-CE1 3.94Å; K90-Y120 HydrophobicContact CG-CE2 4.15Å; K90-Y120 HydrophobicContact CG-CG 3.81Å; I93-Y120 HydrophobicContact CB-CE1 4.37Å; I93-Y120 HydrophobicContact CG2-CE1 3.93Å; Q94-Y120 HydrophobicContact CG-CE1 4.12Å; Q94-Y120 WeakPolarHBondContact CG-OH 3.41Å; Q94-Y120 PolarHBondContact NE2-OH 3Å; S116-Y120 PolarHBondContact O-N 2.91Å; Q117-Y120 WeakPolarHBondContact O-CB 3.46Å; Q117-Y120 PolarHBondContact O-N 3.37Å; I118-Y120 VanDerWaalsContact C-N 3.29Å; I118-Y120 PolarHBondContact O-N 3.46Å; Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 3.4Å; Y120-A123 PolarHBondContact O-N 2.98Å; Y120-A123 VanDerWaalsContact O-N 3.15Å; Y120-H124 AromaticContact CD1-ND1 3.94Å; Y120-H124 AromaticContact CD2-CE1 3.52Å; Y120-H124 AromaticContact CD2-ND1 3.76Å; Y120-H124 HydrophobicContact CE1-CB 4.49Å; Y120-H124 AromaticContact CE1-CG 3.94Å; Y120-H124 AromaticContact CE1-ND1 3.75Å; Y120-H124 AromaticContact CE2-CE1 3.11Å; Y120-H124 WeakPolarHBondContact CE2-CE1 3.24Å; Y120-H124 AromaticContact CE2-ND1 3.59Å; Y120-H124 AromaticContact CE2-NE2 3.57Å; Y120-H124 AromaticContact CG-ND1 3.92Å; Y120-H124 AromaticContact CZ-CD2 3.82Å; Y120-H124 AromaticContact CZ-CE1 3.39Å; Y120-H124 AromaticContact CZ-CG 3.84Å; Y120-H124 AromaticContact CZ-ND1 3.55Å; Y120-H124 AromaticContact CZ-NE2 3.55Å; Y120-H124 PolarHBondContact O-N 3.36Å; Y120-H124 VanDerWaalsContact O-N 3.1Å; Y120-H124 PolarHBondContact O-ND1 3.35Å; Y120-H124 PolarHBondContact OH-NE2 3.19Å
121A98.6Very high98.6Very high0 Ų040.7 Ų40.70%023%0.233CC..Hα-helixtrans-56.5-45.3176.400000111.8I93 Y108 Q117 I118 A123 H124 G125 V126 M129I93-A121 HydrophobicContact CD1-CB 4.28Å; Y108-A121 HydrophobicContact CD1-CB 3.81Å; Y108-A121 HydrophobicContact CE1-CB 4.19Å; Q117-A121 PolarHBondContact O-N 3.02Å; I118-A121 PolarHBondContact O-N 3.25Å; A121-A123 PolarHBondContact O-N 3.03Å; A121-H124 CarbonylContact O-C 3.05Å; A121-H124 PolarHBondContact O-N 2.64Å; A121-G125 PolarHBondContact O-N 2.99Å; A121-G125 VanDerWaalsContact O-N 3.13Å; A121-V126 HydrophobicContact CB-CB 4.05Å; A121-V126 HydrophobicContact CB-CG1 4.48Å; A121-V126 PolarHBondContact O-N 3.47Å; A121-M129 HydrophobicContact CB-CE 4.47Å
122S98.4Very high98.6Very high45 Ų4541.7 Ų41.732%0.31524%0.238SC..Hα-helixtrans-58.9-44175.6-170.80000112.8I118 K119 Y120 H124 G125 H144I118-S122 PolarHBondContact O-N 2.9Å; K119-S122 PolarHBondContact O-N 3Å; Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 3.4Å; S122-H124 PolarHBondContact O-N 3.09Å; S122-G125 PolarHBondContact O-N 3.43Å; S122-H144 WeakPolarHBondContact CA-CD2 3.37Å; S122-H144 WeakPolarHBondContact CA-NE2 3.19Å; S122-H144 WeakPolarHBondContact CB-CD2 3.25Å; S122-H144 PolarHBondContact N-CD2 3.01Å
123A98.2Very high98.6Very high81 Ų8140.2 Ų40.267%0.66923%0.228SC*.Hα-helixtrans-70.2-20.4-178.900000113.2K119 Y120 A121K119-A123 WeakPolarHBondContact O-CB 3.4Å; K119-A123 PolarHBondContact O-N 2.9Å; Y120-A123 PolarHBondContact O-N 2.98Å; Y120-A123 VanDerWaalsContact O-N 3.15Å; A121-A123 PolarHBondContact O-N 3.03Å
124H98.2Very high98.6Very high78 Ų7843.9 Ų43.936%0.36125%0.248SC..THydrogen-bonded Turntrans-110.515.7-178.2-6373.7000112.8Q97 Y120 A121 S122 V126Q97-H124 PolarHBondContact NE2-O 3.21Å; Y120-H124 AromaticContact CD1-ND1 3.94Å; Y120-H124 AromaticContact CD2-CE1 3.52Å; Y120-H124 AromaticContact CD2-ND1 3.76Å; Y120-H124 HydrophobicContact CE1-CB 4.49Å; Y120-H124 AromaticContact CE1-CG 3.94Å; Y120-H124 AromaticContact CE1-ND1 3.75Å; Y120-H124 AromaticContact CE2-CE1 3.11Å; Y120-H124 WeakPolarHBondContact CE2-CE1 3.24Å; Y120-H124 AromaticContact CE2-ND1 3.59Å; Y120-H124 AromaticContact CE2-NE2 3.57Å; Y120-H124 AromaticContact CG-ND1 3.92Å; Y120-H124 AromaticContact CZ-CD2 3.82Å; Y120-H124 AromaticContact CZ-CE1 3.39Å; Y120-H124 AromaticContact CZ-CG 3.84Å; Y120-H124 AromaticContact CZ-ND1 3.55Å; Y120-H124 AromaticContact CZ-NE2 3.55Å; Y120-H124 PolarHBondContact O-N 3.36Å; Y120-H124 VanDerWaalsContact O-N 3.1Å; Y120-H124 PolarHBondContact O-ND1 3.35Å; Y120-H124 PolarHBondContact OH-NE2 3.19Å; A121-H124 CarbonylContact O-C 3.05Å; A121-H124 PolarHBondContact O-N 2.64Å; S122-H124 PolarHBondContact O-N 3.09Å; H124-V126 VanDerWaalsContact C-N 3.3Å; H124-V126 PolarHBondContact O-N 2.92Å
125G98.1Very high98.5Very high36 Ų3641.8 Ų41.837%0.37124%0.243SC..THydrogen-bonded Turntrans74.110.6172.400000115.9A103 A121 S122 Q127A103-G125 VanDerWaalsContact CB-O 3.3Å; A103-G125 WeakPolarHBondContact CB-O 3.17Å; A121-G125 PolarHBondContact O-N 2.99Å; A121-G125 VanDerWaalsContact O-N 3.13Å; S122-G125 PolarHBondContact O-N 3.43Å; G125-Q127 PolarHBondContact O-N 2.9Å
126V98.6Very high98.5Very high0 Ų039.2 Ų39.20%023%0.228CC..  trans-80.698.1177.4-1800000109.1I93 A103 I106 A121 H124 H144I93-V126 HydrophobicContact CG2-CG2 3.86Å; A103-V126 HydrophobicContact CB-CG2 4.1Å; I106-V126 HydrophobicContact CB-CG1 4.16Å; I106-V126 HydrophobicContact CB-CG2 4.43Å; I106-V126 HydrophobicContact CD1-CG2 4.17Å; I106-V126 HydrophobicContact CG2-CG1 3.75Å; I106-V126 HydrophobicContact CG2-CG2 4.36Å; A121-V126 HydrophobicContact CB-CB 4.05Å; A121-V126 HydrophobicContact CB-CG1 4.48Å; A121-V126 PolarHBondContact O-N 3.47Å; H124-V126 VanDerWaalsContact C-N 3.3Å; H124-V126 PolarHBondContact O-N 2.92Å; V126-H144 PolarHBondContact O-NE2 3.36Å
127Q98.4Very high98.6Very high91 Ų9136.3 Ų36.343%0.42521%0.207SC..  trans-88.7-38.3-170.3-68.8174.273.600114.1G125 A147 K148G125-Q127 PolarHBondContact O-N 2.9Å; Q127-A147 WeakPolarHBondContact O-CA 3.42Å; Q127-K148 HydrophobicContact CB-CG 4.33Å; Q127-K148 PolarHBondContact O-N 3.01Å
128M98.8Very high98.5Very high20 Ų2037.8 Ų37.810%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-79.5124.4-175.5-67.6-176-62.900110.8F63 S104 I107 Y108 K148 I190 L229F63-M128 HydrophobicContact CE1-CE 4.3Å; F63-M128 HydrophobicContact CZ-CE 4.44Å; S104-M128 WeakPolarHBondContact O-CE 3.36Å; I107-M128 HydrophobicContact CB-CB 4.48Å; I107-M128 HydrophobicContact CG1-CB 4.16Å; Y108-M128 PolarHBondContact N-O 2.71Å; M128-K148 WeakPolarHBondContact CA-O 3.37Å; M128-K148 HydrophobicContact CG-CB 4.28Å; M128-I190 HydrophobicContact CG-CD1 4.29Å; M128-I190 HydrophobicContact SD-CD1 4.44Å; M128-L229 HydrophobicContact SD-CD2 4.04Å
129M98.8Very high98.5Very high0 Ų039.8 Ų39.80%022%0.224CC..EExtended strand (participates in β ladder)trans-148.6148.7177.162.2-178.463.700112.9Y108 I118 A121 V140 H144 A147 K148 L149 V150Y108-M129 WeakPolarHBondContact O-CA 3.41Å; I118-M129 HydrophobicContact CG2-CE 4.49Å; A121-M129 HydrophobicContact CB-CE 4.47Å; M129-V140 HydrophobicContact SD-CG1 4.46Å; M129-V140 HydrophobicContact SD-CG2 3.85Å; M129-H144 WeakPolarHBondContact CE-CD2 3.29Å; M129-A147 HydrophobicContact CE-CB 4.34Å; M129-A147 HydrophobicContact CG-CB 4.44Å; M129-A147 HydrophobicContact SD-CB 4.17Å; M129-K148 PolarHBondContact N-O 3.48Å; M129-K148 VanDerWaalsContact N-O 3.09Å; M129-L149 HydrophobicContact CG-CD2 3.49Å; M129-L149 VanDerWaalsContact CG-CD2 3.49Å; M129-L149 WeakPolarHBondContact O-CA 3.41Å; M129-L149 HydrophobicContact SD-CD2 4.15Å; M129-V150 PolarHBondContact O-N 2.67Å
130T98.9Very high98.5Very high1 Ų134.1 Ų34.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-87157.5179.958.30000112.5I107 Y108 A109 N110 K113 V150I107-T130 HydrophobicContact CD1-CG2 4.43Å; Y108-T130 PolarHBondContact O-N 3.16Å; A109-T130 VanDerWaalsContact CA-OG1 3.27Å; A109-T130 WeakPolarHBondContact CA-OG1 3.38Å; A109-T130 HydrophobicContact CB-CG2 3.83Å; A109-T130 PolarHBondContact O-OG1 2.85Å; N110-T130 VanDerWaalsContact C-OG1 3.29Å; N110-T130 PolarHBondContact N-OG1 3.45Å; K113-T130 PolarHBondContact NZ-O 2.55Å; T130-V150 CarbonylContact C-O 3.54Å; T130-V150 VanDerWaalsContact CA-O 3.22Å; T130-V150 WeakPolarHBondContact CA-O 3.4Å; T130-V150 HydrophobicContact CG2-CB 4.19Å
131F98.8Very high98.5Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-153.7158.9169.880.3-72.5000110.5E136 L137 L149 V150 L151 R152 L178 V189F131-E136 HydrophobicContact CB-CB 4.05Å; F131-E136 HydrophobicContact CB-CG 3.84Å; F131-L137 HydrophobicContact CD2-CD1 4.38Å; F131-L137 HydrophobicContact CD2-CD2 3.6Å; F131-L137 HydrophobicContact CD2-CG 3.74Å; F131-L137 HydrophobicContact CE1-CD2 4.39Å; F131-L137 HydrophobicContact CE2-CD1 3.88Å; F131-L137 HydrophobicContact CE2-CD2 3.45Å; F131-L137 VanDerWaalsContact CE2-CD2 3.45Å; F131-L137 HydrophobicContact CE2-CG 3.69Å; F131-L137 HydrophobicContact CG-CD2 4.15Å; F131-L137 HydrophobicContact CZ-CD2 3.87Å; F131-L149 HydrophobicContact CD1-CB 3.84Å; F131-L149 HydrophobicContact CD1-CD1 4.26Å; F131-L149 HydrophobicContact CD1-CD2 4.47Å; F131-L149 HydrophobicContact CD1-CG 4.43Å; F131-L149 HydrophobicContact CE1-CB 3.82Å; F131-L149 HydrophobicContact CE1-CD1 4.37Å; F131-V150 WeakPolarHBondContact CD1-O 3.36Å; F131-V150 PolarHBondContact N-O 3.3Å; F131-L151 HydrophobicContact CD2-CD1 4.41Å; F131-L151 HydrophobicContact CE1-CB 3.75Å; F131-L151 HydrophobicContact CE1-CD1 4.22Å; F131-L151 HydrophobicContact CE2-CD1 3.89Å; F131-L151 HydrophobicContact CZ-CB 3.92Å; F131-L151 HydrophobicContact CZ-CD1 3.79Å; F131-L151 HydrophobicContact CZ-CG 4.32Å; F131-R152 PolarHBondContact O-N 2.88Å; F131-L178 HydrophobicContact CE2-CB 4.18Å; F131-V189 HydrophobicContact CE1-CG1 4.27Å; F131-V189 HydrophobicContact CE1-CG2 4.23Å; F131-V189 HydrophobicContact CZ-CG2 4.2Å
132D98.5Very high98.5Very high22 Ų2244.1 Ų44.112%0.11824%0.244CC..  trans-145.711.1175.757.27.4000113.4P111 R152 F168 G169 A170P111-D132 HydrophobicContact CB-CB 4.5Å; P111-D132 WeakPolarHBondContact CB-OD2 3.42Å; D132-R152 HydrophobicContact CB-CB 4.42Å; D132-F168 WeakPolarHBondContact OD2-CA 3.34Å; D132-G169 PolarHBondContact OD2-N 2.97Å; D132-A170 HydrophobicContact CB-CB 4.48Å
133S98.5Very high98.3Very high33 Ų3342.9 Ų42.923%0.23124%0.235CC..SBendtrans-144.3157.7-177.763.30000113.5V135 E136 L137 L178S133-V135 VanDerWaalsContact C-N 3.34Å; S133-E136 PolarHBondContact O-N 2.79Å; S133-E136 PolarHBondContact OG-N 3.07Å; S133-L137 PolarHBondContact O-N 2.56Å; S133-L178 VanDerWaalsContact C-CD2 3.48Å
134D97.9Very high98.3Very high80 Ų8039.1 Ų39.143%0.42820%0.204SC..Hα-helixtrans-66.1-36.9177.871.5-62.6000111.9E136 L137 M138 L178D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.29Å; D134-L137 WeakPolarHBondContact O-CB 3.48Å; D134-L137 PolarHBondContact O-N 3.19Å; D134-M138 PolarHBondContact O-N 2.62Å; D134-L178 HydrophobicContact CB-CD2 4.29Å
135V98.5Very high97.9Very high75 Ų7542.1 Ų42.146%0.45522%0.223SC..Hα-helixtrans-64-36.1178.3179.90000111S133 M138 K139S133-V135 VanDerWaalsContact C-N 3.34Å; V135-M138 HydrophobicContact CB-CE 4.21Å; V135-M138 HydrophobicContact CG2-CE 3.89Å; V135-M138 PolarHBondContact O-N 3.1Å; V135-K139 HydrophobicContact CG1-CD 4.2Å; V135-K139 WeakPolarHBondContact O-CD 3.35Å; V135-K139 WeakPolarHBondContact O-CG 3.32Å; V135-K139 PolarHBondContact O-N 2.82Å; V135-K139 VanDerWaalsContact O-N 3.1Å
136E98.8Very high97.7Very high3 Ų345.8 Ų45.81%0.01423%0.234CC..Hα-helixtrans-64.9-42.7174.8-159.571.7-175.400111.5P111 K113 F131 S133 D134 M138 K139 V140P111-E136 WeakPolarHBondContact O-CG 3.3Å; K113-E136 WeakPolarHBondContact CB-OE1 3.27Å; K113-E136 VanDerWaalsContact CE-OE1 3.23Å; K113-E136 WeakPolarHBondContact CE-OE1 3.03Å; K113-E136 PolarHBondContact N-OE1 2.92Å; K113-E136 IonicContact NZ-OE1 3.87Å; K113-E136 PolarHBondContact NZ-OE1 3.18Å; F131-E136 HydrophobicContact CB-CB 4.05Å; F131-E136 HydrophobicContact CB-CG 3.84Å; S133-E136 PolarHBondContact O-N 2.79Å; S133-E136 PolarHBondContact OG-N 3.07Å; D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.29Å; E136-M138 VanDerWaalsContact C-N 3.32Å; E136-M138 PolarHBondContact O-N 2.87Å; E136-K139 WeakPolarHBondContact O-CB 3.49Å; E136-K139 PolarHBondContact O-N 2.97Å; E136-K139 VanDerWaalsContact O-N 3.1Å; E136-K139 IonicContact OE1-NZ 3.78Å; E136-K139 WeakPolarHBondContact OE2-CE 3.43Å; E136-K139 IonicContact OE2-NZ 2.71Å; E136-K139 PolarHBondContact OE2-NZ 2.75Å; E136-V140 WeakPolarHBondContact O-CG2 3.5Å; E136-V140 PolarHBondContact O-N 3.23Å
137L98.7Very high97.6Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-57.2-44.9174.3-66174.2000111.5F131 S133 D134 K139 V140 A141 L149 L178 R181 A182 L185 L187F131-L137 HydrophobicContact CD2-CD1 4.38Å; F131-L137 HydrophobicContact CD2-CD2 3.6Å; F131-L137 HydrophobicContact CD2-CG 3.74Å; F131-L137 HydrophobicContact CE1-CD2 4.39Å; F131-L137 HydrophobicContact CE2-CD1 3.88Å; F131-L137 HydrophobicContact CE2-CD2 3.45Å; F131-L137 VanDerWaalsContact CE2-CD2 3.45Å; F131-L137 HydrophobicContact CE2-CG 3.69Å; F131-L137 HydrophobicContact CG-CD2 4.15Å; F131-L137 HydrophobicContact CZ-CD2 3.87Å; S133-L137 PolarHBondContact O-N 2.56Å; D134-L137 WeakPolarHBondContact O-CB 3.48Å; D134-L137 PolarHBondContact O-N 3.19Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 3.48Å; L137-V140 PolarHBondContact O-N 2.79Å; L137-A141 WeakPolarHBondContact O-CB 3.36Å; L137-A141 PolarHBondContact O-N 2.9Å; L137-L149 HydrophobicContact CD2-CD1 3.53Å; L137-L178 HydrophobicContact CD1-CD2 4.38Å; L137-L178 WeakPolarHBondContact CD1-O 3.32Å; L137-R181 HydrophobicContact CD1-CB 4.05Å; L137-R181 HydrophobicContact CD1-CG 3.97Å; L137-A182 HydrophobicContact CD1-CB 4.04Å; L137-A182 HydrophobicContact CD2-CB 3.89Å; L137-L185 HydrophobicContact CB-CD1 3.82Å; L137-L187 HydrophobicContact CB-CD1 3.99Å; L137-L187 HydrophobicContact CD2-CD1 3.69Å; L137-L187 HydrophobicContact CG-CD1 4.46Å
138M98.5Very high97.7Very high75 Ų7545 Ų4537%0.36923%0.229SC..Hα-helixtrans-61.4-35.7177.1-68.3-168.8-75.400112.7D134 V135 E136 R142D134-M138 PolarHBondContact O-N 2.62Å; V135-M138 HydrophobicContact CB-CE 4.21Å; V135-M138 HydrophobicContact CG2-CE 3.89Å; V135-M138 PolarHBondContact O-N 3.1Å; E136-M138 VanDerWaalsContact C-N 3.32Å; E136-M138 PolarHBondContact O-N 2.87Å; M138-R142 WeakPolarHBondContact O-CD 3.13Å; M138-R142 WeakPolarHBondContact O-CG 3.33Å
139K98.7Very high97.7Very high42 Ų4244 Ų4418%0.18323%0.225CC..Hα-helixtrans-69.5-44.8176.5-71.5157.454.2-1740111.4K113 V115 I118 V135 E136 L137 R142 C143K113-K139 WeakPolarHBondContact O-CE 3.33Å; K113-K139 PolarHBondContact O-NZ 2.95Å; V115-K139 HydrophobicContact CG2-CB 4.38Å; V115-K139 HydrophobicContact CG2-CD 4.37Å; V115-K139 HydrophobicContact CG2-CG 3.96Å; I118-K139 HydrophobicContact CD1-CB 3.95Å; V135-K139 HydrophobicContact CG1-CD 4.2Å; V135-K139 WeakPolarHBondContact O-CD 3.35Å; V135-K139 WeakPolarHBondContact O-CG 3.32Å; V135-K139 PolarHBondContact O-N 2.82Å; V135-K139 VanDerWaalsContact O-N 3.1Å; E136-K139 WeakPolarHBondContact O-CB 3.49Å; E136-K139 PolarHBondContact O-N 2.97Å; E136-K139 VanDerWaalsContact O-N 3.1Å; E136-K139 IonicContact OE1-NZ 3.78Å; E136-K139 WeakPolarHBondContact OE2-CE 3.43Å; E136-K139 IonicContact OE2-NZ 2.71Å; E136-K139 PolarHBondContact OE2-NZ 2.75Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 3.48Å; K139-R142 PolarHBondContact O-N 3.19Å; K139-C143 WeakPolarHBondContact O-CB 3.18Å; K139-C143 PolarHBondContact O-N 2.94Å; K139-C143 PolarHBondContact O-SG 3.5Å
140V98.6Very high97.7Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-63.7-48.6179.1175.20000110.8M129 E136 L137 R142 C143 H144 A147 L149 L187M129-V140 HydrophobicContact SD-CG1 4.46Å; M129-V140 HydrophobicContact SD-CG2 3.85Å; E136-V140 WeakPolarHBondContact O-CG2 3.5Å; E136-V140 PolarHBondContact O-N 3.23Å; L137-V140 PolarHBondContact O-N 2.79Å; V140-R142 PolarHBondContact O-N 3.11Å; V140-C143 PolarHBondContact O-N 2.86Å; V140-H144 HydrophobicContact CG1-CB 4.38Å; V140-H144 PolarHBondContact O-N 3.22Å; V140-A147 HydrophobicContact CG1-CB 3.52Å; V140-L149 HydrophobicContact CG1-CD1 4.32Å; V140-L149 HydrophobicContact CG1-CD2 4.07Å; V140-L149 HydrophobicContact CG2-CD2 4.17Å; V140-L187 HydrophobicContact CG1-CD2 3.85Å
141A98.1Very high97.7Very high36 Ų3644 Ų4430%0.29822%0.224SC..Hα-helixtrans-54.3-28.217900000113.4L137 L185 L187L137-A141 WeakPolarHBondContact O-CB 3.36Å; L137-A141 PolarHBondContact O-N 2.9Å; A141-L185 HydrophobicContact CB-CB 4.41Å; A141-L185 HydrophobicContact CB-CD1 4.49Å; A141-L187 HydrophobicContact CB-CD1 4.24Å; A141-L187 HydrophobicContact CB-CD2 4.24Å; A141-L187 HydrophobicContact CB-CG 4.41Å
142R97.6Very high97.7Very high208 Ų20845 Ų4579%0.78523%0.228SC*.Hα-helixtrans-88.6-22178.4-68.8174.763.7-1641114.5M138 K139 V140M138-R142 WeakPolarHBondContact O-CD 3.13Å; M138-R142 WeakPolarHBondContact O-CG 3.33Å; K139-R142 PolarHBondContact O-N 3.19Å; V140-R142 PolarHBondContact O-N 3.11Å
143C96.3Very high97.7Very high19 Ų1944 Ų4413%0.12822%0.223CC..Hα-helixtrans-128-14.9-161.1-58.80000114.9V115 I118 K119 K139 V140V115-C143 VanDerWaalsContact CG1-SG 3.59Å; I118-C143 HydrophobicContact CG2-CB 3.9Å; K119-C143 HydrophobicContact CG-CB 3.92Å; K139-C143 WeakPolarHBondContact O-CB 3.18Å; K139-C143 PolarHBondContact O-N 2.94Å; K139-C143 PolarHBondContact O-SG 3.5Å; V140-C143 PolarHBondContact O-N 2.86Å
144H96.8Very high97.5Very high3 Ų343.9 Ų43.91%0.01422%0.224CC..  trans-149.284.7-175-166.7-42.1000111.7I118 S122 V126 M129 V140 N146 A147I118-H144 HydrophobicContact CG2-CB 3.88Å; S122-H144 WeakPolarHBondContact CA-CD2 3.37Å; S122-H144 WeakPolarHBondContact CA-NE2 3.19Å; S122-H144 WeakPolarHBondContact CB-CD2 3.25Å; S122-H144 PolarHBondContact N-CD2 3.01Å; V126-H144 PolarHBondContact O-NE2 3.36Å; M129-H144 WeakPolarHBondContact CE-CD2 3.29Å; V140-H144 HydrophobicContact CG1-CB 4.38Å; V140-H144 PolarHBondContact O-N 3.22Å; H144-N146 VanDerWaalsContact CE1-C 3.49Å; H144-N146 PolarHBondContact ND1-N 3.21Å; H144-N146 PolarHBondContact O-N 2.98Å; H144-N146 VanDerWaalsContact O-N 3.16Å; H144-A147 HydrophobicContact CB-CB 4.15Å; H144-A147 PolarHBondContact CE1-N 3.05Å; H144-A147 WeakPolarHBondContact ND1-CA 3.48Å; H144-A147 WeakPolarHBondContact ND1-CB 3.48Å; H144-A147 PolarHBondContact ND1-N 3.47Å; H144-A147 WeakPolarHBondContact O-CB 3.3Å; H144-A147 PolarHBondContact O-N 3.11Å
145N90.1Very high97.1Very high141 Ų14140.8 Ų40.875%0.75421%0.208SC*.THydrogen-bonded Turntrans-63.7-24.6-173.6-62.6-6.3000114.4
146N93.3Very high96.4Very high113 Ų11342 Ų4260%0.60421%0.212SC*.THydrogen-bonded Turntrans-105.921.5-177.6-61.1-22.7000112.7H144H144-N146 VanDerWaalsContact CE1-C 3.49Å; H144-N146 PolarHBondContact ND1-N 3.21Å; H144-N146 PolarHBondContact O-N 2.98Å; H144-N146 VanDerWaalsContact O-N 3.16Å
147A98.1Very high95.4Very high4 Ų442.4 Ų42.43%0.03321%0.214CC..  trans-68.8137.2-17700000109.7Q127 M129 V140 H144 L149Q127-A147 WeakPolarHBondContact O-CA 3.42Å; M129-A147 HydrophobicContact CE-CB 4.34Å; M129-A147 HydrophobicContact CG-CB 4.44Å; M129-A147 HydrophobicContact SD-CB 4.17Å; V140-A147 HydrophobicContact CG1-CB 3.52Å; H144-A147 HydrophobicContact CB-CB 4.15Å; H144-A147 PolarHBondContact CE1-N 3.05Å; H144-A147 WeakPolarHBondContact ND1-CA 3.48Å; H144-A147 WeakPolarHBondContact ND1-CB 3.48Å; H144-A147 PolarHBondContact ND1-N 3.47Å; H144-A147 WeakPolarHBondContact O-CB 3.3Å; H144-A147 PolarHBondContact O-N 3.11Å; A147-L149 HydrophobicContact CB-CD2 4.15Å; A147-L149 HydrophobicContact CB-CG 4.48Å
148K98.8Very high94.5Very high69 Ų6945.6 Ų45.630%0.324%0.236SC..EExtended strand (participates in β ladder)trans-105.7105.1169.6-58.6-53.5-170.5-178.50107.4Q127 M128 M129 D188 I190Q127-K148 HydrophobicContact CB-CG 4.33Å; Q127-K148 PolarHBondContact O-N 3.01Å; M128-K148 WeakPolarHBondContact CA-O 3.37Å; M128-K148 HydrophobicContact CG-CB 4.28Å; M129-K148 PolarHBondContact N-O 3.48Å; M129-K148 VanDerWaalsContact N-O 3.09Å; K148-D188 HydrophobicContact CD-CB 4.29Å; K148-D188 VanDerWaalsContact CD-OD2 3.27Å; K148-D188 WeakPolarHBondContact CD-OD2 3.35Å; K148-D188 WeakPolarHBondContact CE-OD2 3.34Å; K148-D188 IonicContact NZ-OD2 3.74Å; K148-D188 PolarHBondContact NZ-OD2 3.32Å; K148-I190 HydrophobicContact CB-CD1 3.65Å; K148-I190 HydrophobicContact CB-CG1 3.91Å; K148-I190 HydrophobicContact CB-CG2 3.97Å; K148-I190 HydrophobicContact CD-CG2 3.89Å; K148-I190 HydrophobicContact CG-CG2 4.35Å
149L98.9Very high93.5Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-88.1138.2-169.7-66.1-176.3000111.9M129 F131 L137 V140 A147 L187 D188 V189 I190M129-L149 HydrophobicContact CG-CD2 3.49Å; M129-L149 VanDerWaalsContact CG-CD2 3.49Å; M129-L149 WeakPolarHBondContact O-CA 3.41Å; M129-L149 HydrophobicContact SD-CD2 4.15Å; F131-L149 HydrophobicContact CD1-CB 3.84Å; F131-L149 HydrophobicContact CD1-CD1 4.26Å; F131-L149 HydrophobicContact CD1-CD2 4.47Å; F131-L149 HydrophobicContact CD1-CG 4.43Å; F131-L149 HydrophobicContact CE1-CB 3.82Å; F131-L149 HydrophobicContact CE1-CD1 4.37Å; L137-L149 HydrophobicContact CD2-CD1 3.53Å; V140-L149 HydrophobicContact CG1-CD1 4.32Å; V140-L149 HydrophobicContact CG1-CD2 4.07Å; V140-L149 HydrophobicContact CG2-CD2 4.17Å; A147-L149 HydrophobicContact CB-CD2 4.15Å; A147-L149 HydrophobicContact CB-CG 4.48Å; L149-L187 HydrophobicContact CD1-CB 4.09Å; L149-L187 HydrophobicContact CD1-CD1 3.96Å; L149-L187 HydrophobicContact CD1-CG 4.44Å; L149-D188 PolarHBondContact N-O 2.85Å; L149-V189 HydrophobicContact CB-CG2 4.31Å; L149-V189 CarbonylContact O-C 3.57Å; L149-V189 WeakPolarHBondContact O-CA 3.4Å; L149-I190 WeakPolarHBondContact O-CG1 3.07Å; L149-I190 PolarHBondContact O-N 3.13Å
150V98.9Very high92.5Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-117.2115.1175.4-173.80000107.8I107 M129 T130 F131 R152 I190 G191 L229I107-V150 HydrophobicContact CD1-CG2 4.39Å; M129-V150 PolarHBondContact O-N 2.67Å; T130-V150 CarbonylContact C-O 3.54Å; T130-V150 VanDerWaalsContact CA-O 3.22Å; T130-V150 WeakPolarHBondContact CA-O 3.4Å; T130-V150 HydrophobicContact CG2-CB 4.19Å; F131-V150 WeakPolarHBondContact CD1-O 3.36Å; F131-V150 PolarHBondContact N-O 3.3Å; V150-R152 PolarHBondContact O-N 2.83Å; V150-I190 HydrophobicContact CG2-CD1 4.44Å; V150-I190 HydrophobicContact CG2-CG1 4.21Å; V150-G191 WeakPolarHBondContact CA-O 3.42Å; V150-L229 HydrophobicContact CG2-CD2 3.74Å
151L98.9Very high91.5Very high0 Ų048.8 Ų48.80%026%0.256CS..EExtended strand (participates in β ladder)trans-75.8117.3-179.1174.356.2000109.3F131 I153 A170 C175 L178 L179 V189 G191 V192 S193 V216F131-L151 HydrophobicContact CD2-CD1 4.41Å; F131-L151 HydrophobicContact CE1-CB 3.75Å; F131-L151 HydrophobicContact CE1-CD1 4.22Å; F131-L151 HydrophobicContact CE2-CD1 3.89Å; F131-L151 HydrophobicContact CZ-CB 3.92Å; F131-L151 HydrophobicContact CZ-CD1 3.79Å; F131-L151 HydrophobicContact CZ-CG 4.32Å; L151-I153 HydrophobicContact CG-CG2 4.46Å; L151-A170 HydrophobicContact CD1-CB 4.12Å; L151-C175 HydrophobicContact CD2-CB 4.12Å; L151-L178 HydrophobicContact CD1-CD1 3.8Å; L151-L179 HydrophobicContact CD2-CD2 4.26Å; L151-L179 HydrophobicContact CD2-CG 4.23Å; L151-V189 HydrophobicContact CB-CG1 4.49Å; L151-G191 PolarHBondContact N-O 3.19Å; L151-V192 CarbonylContact O-C 3.46Å; L151-V192 VanDerWaalsContact O-CA 3.27Å; L151-V192 WeakPolarHBondContact O-CA 3.39Å; L151-V192 WeakPolarHBondContact O-CG1 3.33Å; L151-S193 PolarHBondContact O-N 3.24Å; L151-V216 HydrophobicContact CD2-CG1 3.85Å
152R98.8Very high90.4Very high21 Ų2148.1 Ų48.18%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-83.2123.7174.8-174.5176.9174.8160.7-2.6110.1F131 D132 V150 G169 A170 S193F131-R152 PolarHBondContact O-N 2.88Å; D132-R152 HydrophobicContact CB-CB 4.42Å; V150-R152 PolarHBondContact O-N 2.83Å; R152-G169 WeakPolarHBondContact O-CA 3.49Å; R152-A170 PolarHBondContact O-N 2.96Å; R152-S193 CarbonylContact C-O 3.55Å; R152-S193 VanDerWaalsContact CA-O 3.27Å; R152-S193 WeakPolarHBondContact CA-O 3.48Å; R152-S193 WeakPolarHBondContact CB-OG 3.5Å
153I98.4Very high89.7Confident3 Ų343.2 Ų43.22%0.01524%0.235CC..BIsolated β-bridgetrans-99.6153.6176.864.5171.3000111.4L151 A170 V192 S193 F194 D212 A213 V216L151-I153 HydrophobicContact CG-CG2 4.46Å; I153-A170 WeakPolarHBondContact CA-O 3.37Å; I153-V192 HydrophobicContact CD1-CG1 4.05Å; I153-V192 HydrophobicContact CG1-CG1 4.03Å; I153-V192 HydrophobicContact CG2-CG1 3.81Å; I153-S193 PolarHBondContact N-O 3.39Å; I153-F194 HydrophobicContact CD1-CB 4.43Å; I153-F194 HydrophobicContact CG1-CB 3.8Å; I153-D212 HydrophobicContact CD1-CB 3.89Å; I153-A213 HydrophobicContact CD1-CB 4.18Å; I153-V216 HydrophobicContact CG2-CG2 3.99Å
154A95.1Very high88.9Confident30 Ų3044.8 Ų44.825%0.24824%0.242CC..PPolyproline II helixtrans-71.2150.8172.600000110.9A170A154-A170 PolarHBondContact N-O 3.34Å
155T89.6Confident88Confident14 Ų1446 Ų469%0.08625%0.25CS..  trans-127.6158.9173.754.30000110.7D157 S165 F194 H195 A209T155-D157 PolarHBondContact O-N 3.43Å; T155-S165 PolarHBondContact N-OG 3.17Å; T155-S165 WeakPolarHBondContact O-CB 3.33Å; T155-S165 PolarHBondContact O-OG 3.03Å; T155-S165 PolarHBondContact OG1-OG 2.86Å; T155-F194 HydrophobicContact CG2-CB 3.68Å; T155-F194 HydrophobicContact CG2-CD2 4.18Å; T155-F194 HydrophobicContact CG2-CG 4.21Å; T155-H195 PolarHBondContact OG1-O 3.33Å; T155-H195 VanDerWaalsContact OG1-O 3.12Å; T155-A209 HydrophobicContact CG2-CB 3.7Å
156D83.8Confident87.5Confident101 Ų10145.4 Ų45.454%0.5425%0.252SS..  trans-74.290.8165.6-178.78.3000110.1S158 T205D156-S158 VanDerWaalsContact C-N 3.35Å; D156-S158 WeakPolarHBondContact OD1-CB 3.47Å; D156-S158 PolarHBondContact OD1-N 2.59Å; D156-S158 PolarHBondContact OD1-OG 2.99Å; D156-T205 WeakPolarHBondContact O-CG2 3.24Å
157D77.7Confident87.1Confident12 Ų1247.6 Ų47.66%0.06426%0.256CS..  trans-96.51717864.4-7.7000112.7T155 K159 A160 Q163 L164 S165 V196T155-D157 PolarHBondContact O-N 3.43Å; D157-K159 PolarHBondContact O-N 3.14Å; D157-A160 HydrophobicContact CB-CB 4.23Å; D157-A160 WeakPolarHBondContact O-CB 3.21Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-Q163 WeakPolarHBondContact O-CG 3.47Å; D157-Q163 VanDerWaalsContact OD2-CA 3.26Å; D157-Q163 WeakPolarHBondContact OD2-CA 3.45Å; D157-L164 PolarHBondContact OD2-N 3.21Å; D157-S165 WeakPolarHBondContact OD2-CB 3.4Å; D157-S165 PolarHBondContact OD2-N 3.31Å; D157-S165 PolarHBondContact OD2-OG 3.23Å; D157-V196 WeakPolarHBondContact CB-O 3.3Å
158S79.1Confident86.8Confident66 Ų6648.9 Ų48.946%0.46226%0.261SS..THydrogen-bonded Turntrans-56.7-24.2-178.7600000113.9D156D156-S158 VanDerWaalsContact C-N 3.35Å; D156-S158 WeakPolarHBondContact OD1-CB 3.47Å; D156-S158 PolarHBondContact OD1-N 2.59Å; D156-S158 PolarHBondContact OD1-OG 2.99Å
159K77.4Confident86.6Confident102 Ų10246.4 Ų46.444%0.44325%0.254SS..THydrogen-bonded Turntrans-104.413.9178.6-57.8179.7-171.1172.30113.7D157 T201 D202D157-K159 PolarHBondContact O-N 3.14Å; K159-T201 PolarHBondContact O-N 3.13Å; K159-T201 VanDerWaalsContact O-N 3.13Å; K159-T201 PolarHBondContact O-OG1 3.19Å; K159-T201 VanDerWaalsContact O-OG1 3.09Å; K159-D202 HydrophobicContact CB-CB 4.38Å; K159-D202 HydrophobicContact CD-CB 3.6Å; K159-D202 IonicContact NZ-OD2 2.77Å; K159-D202 PolarHBondContact NZ-OD2 3.09Å
160A77.8Confident86.5Confident12 Ų1246.6 Ų46.610%0.09926%0.256CS..SBendtrans-92.2148171.100000110.9D157D157-A160 HydrophobicContact CB-CB 4.23Å; D157-A160 WeakPolarHBondContact O-CB 3.21Å; D157-A160 PolarHBondContact O-N 3.09Å
161V77.6Confident86.4Confident71 Ų7150.7 Ų50.743%0.4328%0.281SS..SBendtrans-64.3-43173.7174.80000110.6S198 G199 H332V161-S198 WeakPolarHBondContact CB-O 3.37Å; V161-S198 PolarHBondContact N-O 3.04Å; V161-G199 PolarHBondContact N-O 3.47Å; V161-H332 HydrophobicContact CG1-CB 3.65Å; V161-H332 PolarHBondContact O-CD2 2.94Å
162C76.4Confident86.2Confident21 Ų2153.5 Ų53.514%0.14230%0.295CS..BIsolated β-bridgetrans-115.3111173.6-570000110.6S198C162-S198 PolarHBondContact N-O 3.47Å; C162-S198 VanDerWaalsContact N-O 3.11Å; C162-S198 PolarHBondContact O-N 3.23Å
163Q82.8Confident86Confident106 Ų10661.9 Ų61.950%0.49533%0.332SS..  trans-80.7133.3176.8-63.6-178.83.700111.2D157D157-Q163 WeakPolarHBondContact O-CG 3.47Å; D157-Q163 VanDerWaalsContact OD2-CA 3.26Å; D157-Q163 WeakPolarHBondContact OD2-CA 3.45Å
164L78.4Confident86Confident52 Ų5263.7 Ų63.727%0.27235%0.348SS..  trans-121.7-23.9-178.2-61.4175.7000112.5D157 V166 K167 F168 H195D157-L164 PolarHBondContact OD2-N 3.21Å; L164-V166 PolarHBondContact O-N 3.13Å; L164-K167 PolarHBondContact O-N 3.43Å; L164-F168 PolarHBondContact O-N 3.37Å; L164-H195 WeakPolarHBondContact CD1-ND1 3.5Å
165S77.8Confident86.1Confident27 Ų2762.2 Ų62.219%0.18934%0.336CS..THydrogen-bonded Turntrans-64.3-26.2-176.3-70.90000113.4T155 D157 K167 F168T155-S165 PolarHBondContact N-OG 3.17Å; T155-S165 WeakPolarHBondContact O-CB 3.33Å; T155-S165 PolarHBondContact O-OG 3.03Å; T155-S165 PolarHBondContact OG1-OG 2.86Å; D157-S165 WeakPolarHBondContact OD2-CB 3.4Å; D157-S165 PolarHBondContact OD2-N 3.31Å; D157-S165 PolarHBondContact OD2-OG 3.23Å; S165-K167 PolarHBondContact O-N 3.25Å; S165-F168 CarbonylContact C-O 3.46Å; S165-F168 VanDerWaalsContact CA-O 3.25Å; S165-F168 WeakPolarHBondContact CA-O 3.29Å; S165-F168 VanDerWaalsContact O-O 3.11Å
166V79.1Confident86.5Confident129 Ų12965.9 Ų65.978%0.78235%0.348SS*.THydrogen-bonded Turntrans-62.6-30.2173.4176.20000111.5L164L164-V166 PolarHBondContact O-N 3.13Å
167K85.2Confident87.2Confident159 Ų15962.9 Ų62.969%0.69134%0.341SS*.THydrogen-bonded Turntrans-100.7-32.8-177-174.3176.4177.7-1780113.2L164 S165L164-K167 PolarHBondContact O-N 3.43Å; S165-K167 PolarHBondContact O-N 3.25Å
168F91.9Very high88.2Confident32 Ų3263 Ų6314%0.1434%0.341CS..SBendtrans-136.7155.8-170.7-60.5-61.9000112.2P111 C112 D132 L164 S165P111-F168 HydrophobicContact CB-CD1 4.1Å; P111-F168 HydrophobicContact CB-CE1 4.49Å; P111-F168 HydrophobicContact CG-CB 4.47Å; P111-F168 HydrophobicContact CG-CD1 3.82Å; P111-F168 HydrophobicContact CG-CE1 4.29Å; P111-F168 HydrophobicContact CG-CG 4.26Å; C112-F168 HydrophobicContact CB-CE1 4.45Å; D132-F168 WeakPolarHBondContact OD2-CA 3.34Å; L164-F168 PolarHBondContact O-N 3.37Å; S165-F168 CarbonylContact C-O 3.46Å; S165-F168 VanDerWaalsContact CA-O 3.25Å; S165-F168 WeakPolarHBondContact CA-O 3.29Å; S165-F168 VanDerWaalsContact O-O 3.11Å
169G95.1Very high89.2Confident16 Ų1659.9 Ų59.917%0.16532%0.319CS..  trans101.9126.2174.400000112.6D132 R152D132-G169 PolarHBondContact OD2-N 2.97Å; R152-G169 WeakPolarHBondContact O-CA 3.49Å
170A96.8Very high90.2Very high5 Ų558.7 Ų58.74%0.04132%0.315CS..BIsolated β-bridgetrans-73.8134.8175.300000110.4D132 L151 R152 I153 A154 L178D132-A170 HydrophobicContact CB-CB 4.48Å; L151-A170 HydrophobicContact CD1-CB 4.12Å; R152-A170 PolarHBondContact O-N 2.96Å; I153-A170 WeakPolarHBondContact CA-O 3.37Å; A154-A170 PolarHBondContact N-O 3.34Å; A170-L178 HydrophobicContact CB-CD1 3.66Å
171T96.4Very high91.2Very high85 Ų8562.2 Ų62.252%0.52133%0.326SS..  trans-65152.1168.766.90000110.2K173 A174 C175T171-K173 PolarHBondContact O-N 3.4Å; T171-A174 WeakPolarHBondContact O-CA 3.46Å; T171-A174 WeakPolarHBondContact O-CB 3.2Å; T171-A174 PolarHBondContact O-N 2.95Å; T171-A174 PolarHBondContact OG1-N 2.96Å; T171-C175 PolarHBondContact O-N 3.16Å; T171-C175 VanDerWaalsContact O-N 3.13Å; T171-C175 PolarHBondContact O-SG 3.23Å
172M95.6Very high92.2Very high59 Ų5958.8 Ų58.829%0.29131%0.306SS..Hα-helixtrans-52.4-33.7176.9-72.6-55.6-62.700113.6A174 D212 C215 V216 M219M172-A174 VanDerWaalsContact C-N 3.34Å; M172-A174 PolarHBondContact O-N 3.46Å; M172-D212 HydrophobicContact SD-CB 4.06Å; M172-C215 HydrophobicContact CE-CB 3.76Å; M172-V216 HydrophobicContact CE-CG2 3.63Å; M172-V216 HydrophobicContact SD-CG2 3.67Å; M172-M219 HydrophobicContact CE-CE 3.76Å
173K94.4Very high93.2Very high197 Ų19762.6 Ų62.686%0.85732%0.32SS*.Hα-helixtrans-67.2-33176-173.7178.7177.7-177.30112.9T171T171-K173 PolarHBondContact O-N 3.4Å
174A96.9Very high93.9Very high41 Ų4164 Ų6434%0.33933%0.326SS..Hα-helixtrans-82.4-27.9-179.600000112.9T171 M172 R176 G177 L178T171-A174 WeakPolarHBondContact O-CA 3.46Å; T171-A174 WeakPolarHBondContact O-CB 3.2Å; T171-A174 PolarHBondContact O-N 2.95Å; T171-A174 PolarHBondContact OG1-N 2.96Å; M172-A174 VanDerWaalsContact C-N 3.34Å; M172-A174 PolarHBondContact O-N 3.46Å; A174-R176 PolarHBondContact O-N 2.7Å; A174-G177 PolarHBondContact O-N 2.87Å; A174-G177 VanDerWaalsContact O-N 3.17Å; A174-L178 PolarHBondContact O-N 2.9Å; A174-L178 VanDerWaalsContact O-N 3.11Å
175C98.3Very high94.9Very high0 Ų064 Ų640%033%0.327CS..Hα-helixtrans-52.4-48.2-174.5-67.30000113.4L151 T171 G177 L178 L179 V216 M219L151-C175 HydrophobicContact CD2-CB 4.12Å; T171-C175 PolarHBondContact O-N 3.16Å; T171-C175 VanDerWaalsContact O-N 3.13Å; T171-C175 PolarHBondContact O-SG 3.23Å; C175-G177 PolarHBondContact O-N 3.48Å; C175-L178 PolarHBondContact O-N 3.43Å; C175-L179 WeakPolarHBondContact O-CG 3.27Å; C175-L179 PolarHBondContact O-N 3.11Å; C175-V216 HydrophobicContact CB-CG1 4.34Å; C175-V216 HydrophobicContact CB-CG2 3.95Å; C175-M219 HydrophobicContact CB-SD 4.39Å
176R98.2Very high95.8Very high90 Ų9066.1 Ų66.134%0.3435%0.352SS..Hα-helixtrans-59.3-46.4179.9176.8167.5-107.2-81.73.4112.4A174 L178 L179 E180 M219 E222A174-R176 PolarHBondContact O-N 2.7Å; R176-L178 VanDerWaalsContact C-N 3.3Å; R176-L178 PolarHBondContact O-N 3.26Å; R176-L179 PolarHBondContact O-N 2.95Å; R176-E180 HydrophobicContact CG-CG 4.46Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 IonicContact CZ-OE1 3.25Å; R176-E180 IonicContact NH1-OE1 3.22Å; R176-E180 PolarHBondContact NH1-OE1 3.16Å; R176-E180 WeakPolarHBondContact O-CG 3.29Å; R176-E180 PolarHBondContact O-N 3.41Å; R176-M219 HydrophobicContact CB-SD 3.99Å; R176-E222 IonicContact CZ-OE2 2.87Å; R176-E222 IonicContact NH2-OE2 2.79Å; R176-E222 PolarHBondContact NH2-OE2 3.46Å
177G98.5Very high96.8Very high38 Ų3860.8 Ų60.839%0.39232%0.319SS..Hα-helixtrans-64-35.217900000112.9A174 C175 R181A174-G177 PolarHBondContact O-N 2.87Å; A174-G177 VanDerWaalsContact O-N 3.17Å; C175-G177 PolarHBondContact O-N 3.48Å; G177-R181 VanDerWaalsContact O-CB 3.27Å; G177-R181 WeakPolarHBondContact O-CB 3.49Å; G177-R181 PolarHBondContact O-N 3.49Å
178L98.8Very high97.4Very high15 Ų1555.9 Ų55.98%0.07930%0.3CS..Hα-helixtrans-67.3-40.4174.5-70.6174.9000112.4F131 S133 D134 L137 L151 A170 A174 C175 R176 R181 A182F131-L178 HydrophobicContact CE2-CB 4.18Å; S133-L178 VanDerWaalsContact C-CD2 3.48Å; D134-L178 HydrophobicContact CB-CD2 4.29Å; L137-L178 HydrophobicContact CD1-CD2 4.38Å; L137-L178 WeakPolarHBondContact CD1-O 3.32Å; L151-L178 HydrophobicContact CD1-CD1 3.8Å; A170-L178 HydrophobicContact CB-CD1 3.66Å; A174-L178 PolarHBondContact O-N 2.9Å; A174-L178 VanDerWaalsContact O-N 3.11Å; C175-L178 PolarHBondContact O-N 3.43Å; R176-L178 VanDerWaalsContact C-N 3.3Å; R176-L178 PolarHBondContact O-N 3.26Å; L178-R181 PolarHBondContact O-N 2.91Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.04Å
179L98.9Very high97.7Very high0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-65-48176.4-68.8168.4000111.3L151 C175 R176 R181 A182 K183 V189 V216 M219 V223 F225 M227L151-L179 HydrophobicContact CD2-CD2 4.26Å; L151-L179 HydrophobicContact CD2-CG 4.23Å; C175-L179 WeakPolarHBondContact O-CG 3.27Å; C175-L179 PolarHBondContact O-N 3.11Å; R176-L179 PolarHBondContact O-N 2.95Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.68Å; L179-A182 PolarHBondContact O-N 3.34Å; L179-K183 PolarHBondContact O-N 3.26Å; L179-V189 HydrophobicContact CD2-CB 4.28Å; L179-V189 HydrophobicContact CD2-CG1 3.91Å; L179-V189 HydrophobicContact CD2-CG2 4.39Å; L179-V216 HydrophobicContact CD1-CG1 4.2Å; L179-M219 HydrophobicContact CD1-CB 3.86Å; L179-V223 HydrophobicContact CB-CG2 4.3Å; L179-F225 HydrophobicContact CB-CE2 4.16Å; L179-F225 HydrophobicContact CD2-CD2 4.11Å; L179-F225 HydrophobicContact CD2-CE2 4.11Å; L179-F225 WeakPolarHBondContact O-CE2 3.45Å; L179-M227 HydrophobicContact CD1-CE 4.34Å; L179-M227 HydrophobicContact CD2-CE 3.42Å; L179-M227 VanDerWaalsContact CD2-CE 3.42Å
180E98.8Very high97.9Very high77 Ų7754.5 Ų54.536%0.3629%0.29SS..Hα-helixtrans-56.2-46.7174.9-72168.518000110.6R176 A182 K183 E184 V223R176-E180 HydrophobicContact CG-CG 4.46Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 IonicContact CZ-OE1 3.25Å; R176-E180 IonicContact NH1-OE1 3.22Å; R176-E180 PolarHBondContact NH1-OE1 3.16Å; R176-E180 WeakPolarHBondContact O-CG 3.29Å; R176-E180 PolarHBondContact O-N 3.41Å; E180-A182 PolarHBondContact O-N 2.87Å; E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.47Å; E180-K183 VanDerWaalsContact O-N 3.15Å; E180-E184 WeakPolarHBondContact O-CG 3.2Å; E180-E184 PolarHBondContact O-N 3.13Å; E180-V223 HydrophobicContact CG-CG2 3.95Å
181R98.6Very high98Very high86 Ų8654.2 Ų54.233%0.32529%0.288SS..Hα-helixtrans-63.2-40.5178.2-175.455.2176.7162.82.4113.1L137 G177 L178 L179 K183 E184 L185L137-R181 HydrophobicContact CD1-CB 4.05Å; L137-R181 HydrophobicContact CD1-CG 3.97Å; G177-R181 VanDerWaalsContact O-CB 3.27Å; G177-R181 WeakPolarHBondContact O-CB 3.49Å; G177-R181 PolarHBondContact O-N 3.49Å; L178-R181 PolarHBondContact O-N 2.91Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.68Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 2.97Å; R181-E184 VanDerWaalsContact CD-OE2 3.3Å; R181-E184 WeakPolarHBondContact CD-OE2 3.34Å; R181-E184 IonicContact CZ-OE2 3.8Å; R181-E184 IonicContact NH1-OE2 2.81Å; R181-E184 PolarHBondContact NH1-OE2 2.93Å; R181-E184 PolarHBondContact O-N 2.91Å; R181-L185 HydrophobicContact CG-CD1 4.17Å; R181-L185 WeakPolarHBondContact O-CG 3.49Å; R181-L185 PolarHBondContact O-N 2.98Å; R181-L185 VanDerWaalsContact O-N 3.1Å
182A98.6Very high98.1Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-62.5-39.417600000111.1L137 L178 L179 E180 L185 G186 L187 V189 F225L137-A182 HydrophobicContact CD1-CB 4.04Å; L137-A182 HydrophobicContact CD2-CB 3.89Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.04Å; L179-A182 PolarHBondContact O-N 3.34Å; E180-A182 PolarHBondContact O-N 2.87Å; A182-L185 PolarHBondContact O-N 3.34Å; A182-G186 PolarHBondContact O-N 3.16Å; A182-L187 HydrophobicContact CB-CB 4.34Å; A182-L187 PolarHBondContact O-N 3.23Å; A182-V189 HydrophobicContact CB-CG2 3.53Å; A182-F225 HydrophobicContact CB-CZ 4.03Å
183K98.3Very high98.3Very high100 Ų10047.5 Ų47.544%0.43525%0.251SS..Hα-helixtrans-65-44.8177.2-164.470.4175.6-177.50111.8L179 E180 R181 L185 G186 V223 G224 F225L179-K183 PolarHBondContact O-N 3.26Å; E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.47Å; E180-K183 VanDerWaalsContact O-N 3.15Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 2.97Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.4Å; K183-G186 PolarHBondContact O-N 2.97Å; K183-G186 VanDerWaalsContact O-N 3.07Å; K183-V223 HydrophobicContact CB-CG1 3.79Å; K183-V223 HydrophobicContact CD-CG1 4.49Å; K183-V223 HydrophobicContact CG-CG1 4.05Å; K183-G224 PolarHBondContact NZ-O 3.35Å; K183-F225 HydrophobicContact CB-CE2 4.17Å; K183-F225 HydrophobicContact CB-CZ 3.89Å; K183-F225 HydrophobicContact CD-CE1 4.06Å; K183-F225 HydrophobicContact CD-CE2 4.31Å; K183-F225 HydrophobicContact CD-CZ 3.88Å
184E98.4Very high98.5Very high136 Ų13638.2 Ų38.264%0.63621%0.21SC*.Hα-helixtrans-58.2-37.5174.6-71173.2178.700112.8E180 R181 G186E180-E184 WeakPolarHBondContact O-CG 3.2Å; E180-E184 PolarHBondContact O-N 3.13Å; R181-E184 VanDerWaalsContact CD-OE2 3.3Å; R181-E184 WeakPolarHBondContact CD-OE2 3.34Å; R181-E184 IonicContact CZ-OE2 3.8Å; R181-E184 IonicContact NH1-OE2 2.81Å; R181-E184 PolarHBondContact NH1-OE2 2.93Å; R181-E184 PolarHBondContact O-N 2.91Å; E184-G186 PolarHBondContact O-N 3.13Å
185L98.1Very high98.4Very high53 Ų5337.2 Ų37.228%0.27720%0.199SC..THydrogen-bonded Turntrans-80.7-1.4179-68.8172.8000113.4L137 A141 R181 A182 K183 L187L137-L185 HydrophobicContact CB-CD1 3.82Å; A141-L185 HydrophobicContact CB-CB 4.41Å; A141-L185 HydrophobicContact CB-CD1 4.49Å; R181-L185 HydrophobicContact CG-CD1 4.17Å; R181-L185 WeakPolarHBondContact O-CG 3.49Å; R181-L185 PolarHBondContact O-N 2.98Å; R181-L185 VanDerWaalsContact O-N 3.1Å; A182-L185 PolarHBondContact O-N 3.34Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.4Å; L185-L187 VanDerWaalsContact C-N 3.25Å; L185-L187 HydrophobicContact CB-CD1 3.98Å; L185-L187 HydrophobicContact CB-CG 4.03Å; L185-L187 HydrophobicContact CD1-CD1 4.15Å; L185-L187 PolarHBondContact O-N 2.97Å
186G97.9Very high98Very high70 Ų7037.2 Ų37.272%0.72220%0.199SC*.THydrogen-bonded Turntrans67.523.8-177.200000113.9A182 K183 E184A182-G186 PolarHBondContact O-N 3.16Å; K183-G186 PolarHBondContact O-N 2.97Å; K183-G186 VanDerWaalsContact O-N 3.07Å; E184-G186 PolarHBondContact O-N 3.13Å
187L98.4Very high97.1Very high17 Ų1733 Ų339%0.08918%0.183CC..  trans-85.3154.7177.7-66.1170.2000110.9L137 V140 A141 L149 A182 L185 F225L137-L187 HydrophobicContact CB-CD1 3.99Å; L137-L187 HydrophobicContact CD2-CD1 3.69Å; L137-L187 HydrophobicContact CG-CD1 4.46Å; V140-L187 HydrophobicContact CG1-CD2 3.85Å; A141-L187 HydrophobicContact CB-CD1 4.24Å; A141-L187 HydrophobicContact CB-CD2 4.24Å; A141-L187 HydrophobicContact CB-CG 4.41Å; L149-L187 HydrophobicContact CD1-CB 4.09Å; L149-L187 HydrophobicContact CD1-CD1 3.96Å; L149-L187 HydrophobicContact CD1-CG 4.44Å; A182-L187 HydrophobicContact CB-CB 4.34Å; A182-L187 PolarHBondContact O-N 3.23Å; L185-L187 VanDerWaalsContact C-N 3.25Å; L185-L187 HydrophobicContact CB-CD1 3.98Å; L185-L187 HydrophobicContact CB-CG 4.03Å; L185-L187 HydrophobicContact CD1-CD1 4.15Å; L185-L187 PolarHBondContact O-N 2.97Å; L187-F225 WeakPolarHBondContact O-CE1 3.31Å
188D98.6Very high96.1Very high56 Ų5631.8 Ų31.830%0.29917%0.168SC..EExtended strand (participates in β ladder)trans-105.6105.2-179.8-170.719.6000111K148 L149K148-D188 HydrophobicContact CD-CB 4.29Å; K148-D188 VanDerWaalsContact CD-OD2 3.27Å; K148-D188 WeakPolarHBondContact CD-OD2 3.35Å; K148-D188 WeakPolarHBondContact CE-OD2 3.34Å; K148-D188 IonicContact NZ-OD2 3.74Å; K148-D188 PolarHBondContact NZ-OD2 3.32Å; L149-D188 PolarHBondContact N-O 2.85Å
189V98.9Very high94.8Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-91.7112.2173.5-173.10000108.5F131 L149 L151 L179 A182 F225 M227F131-V189 HydrophobicContact CE1-CG1 4.27Å; F131-V189 HydrophobicContact CE1-CG2 4.23Å; F131-V189 HydrophobicContact CZ-CG2 4.2Å; L149-V189 HydrophobicContact CB-CG2 4.31Å; L149-V189 CarbonylContact O-C 3.57Å; L149-V189 WeakPolarHBondContact O-CA 3.4Å; L151-V189 HydrophobicContact CB-CG1 4.49Å; L179-V189 HydrophobicContact CD2-CB 4.28Å; L179-V189 HydrophobicContact CD2-CG1 3.91Å; L179-V189 HydrophobicContact CD2-CG2 4.39Å; A182-V189 HydrophobicContact CB-CG2 3.53Å; V189-F225 HydrophobicContact CB-CD1 4Å; V189-F225 HydrophobicContact CB-CD2 4.43Å; V189-F225 HydrophobicContact CB-CE1 3.95Å; V189-F225 HydrophobicContact CB-CE2 4.35Å; V189-F225 HydrophobicContact CB-CG 4.25Å; V189-F225 HydrophobicContact CB-CZ 4.12Å; V189-F225 HydrophobicContact CG2-CE1 4.01Å; V189-F225 HydrophobicContact CG2-CE2 4.28Å; V189-F225 HydrophobicContact CG2-CZ 3.84Å; V189-M227 HydrophobicContact CG1-CE 3.87Å
190I98.8Very high93.9Very high19 Ų1932.7 Ų32.710%0.09718%0.18CC..EExtended strand (participates in β ladder)trans-101.4-5.6-172.763.5153.6000113.6M128 K148 L149 V150 M227 T228 L229M128-I190 HydrophobicContact CG-CD1 4.29Å; M128-I190 HydrophobicContact SD-CD1 4.44Å; K148-I190 HydrophobicContact CB-CD1 3.65Å; K148-I190 HydrophobicContact CB-CG1 3.91Å; K148-I190 HydrophobicContact CB-CG2 3.97Å; K148-I190 HydrophobicContact CD-CG2 3.89Å; K148-I190 HydrophobicContact CG-CG2 4.35Å; L149-I190 WeakPolarHBondContact O-CG1 3.07Å; L149-I190 PolarHBondContact O-N 3.13Å; V150-I190 HydrophobicContact CG2-CD1 4.44Å; V150-I190 HydrophobicContact CG2-CG1 4.21Å; I190-M227 CarbonylContact O-C 3.56Å; I190-M227 VanDerWaalsContact O-CA 3.3Å; I190-M227 WeakPolarHBondContact O-CA 3.32Å; I190-T228 PolarHBondContact O-N 3.07Å; I190-L229 HydrophobicContact CD1-CB 4.14Å; I190-L229 HydrophobicContact CD1-CD2 3.88Å; I190-L229 PolarHBondContact O-N 2.78Å
191G98.8Very high93.1Very high0 Ų033.5 Ų33.50%019%0.19CC..EExtended strand (participates in β ladder)trans179.2-178.3-170.400000116V150 L151 L229V150-G191 WeakPolarHBondContact CA-O 3.42Å; L151-G191 PolarHBondContact N-O 3.19Å; G191-L229 CarbonylContact C-O 3.58Å; G191-L229 WeakPolarHBondContact CA-O 3.47Å
192V98.9Very high92.6Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-127140.6178.6-179.50000109.2L151 I153 A213 V216 F217 M227 L229 D231L151-V192 CarbonylContact O-C 3.46Å; L151-V192 VanDerWaalsContact O-CA 3.27Å; L151-V192 WeakPolarHBondContact O-CA 3.39Å; L151-V192 WeakPolarHBondContact O-CG1 3.33Å; I153-V192 HydrophobicContact CD1-CG1 4.05Å; I153-V192 HydrophobicContact CG1-CG1 4.03Å; I153-V192 HydrophobicContact CG2-CG1 3.81Å; V192-A213 HydrophobicContact CB-CB 4.28Å; V192-A213 HydrophobicContact CG1-CB 3.84Å; V192-V216 HydrophobicContact CG2-CB 3.92Å; V192-V216 HydrophobicContact CG2-CG1 3.56Å; V192-F217 HydrophobicContact CB-CD2 4.09Å; V192-F217 HydrophobicContact CB-CE2 3.79Å; V192-F217 HydrophobicContact CG2-CD2 3.58Å; V192-F217 HydrophobicContact CG2-CE2 3.73Å; V192-M227 HydrophobicContact CG2-SD 4.07Å; V192-L229 PolarHBondContact N-O 3.21Å; V192-L229 VanDerWaalsContact N-O 3.13Å; V192-D231 PolarHBondContact O-N 3.19Å
193S98.9Very high92.2Very high3 Ų332.4 Ų32.42%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-123.1157168.472.30000111.9L151 R152 I153 D231L151-S193 PolarHBondContact O-N 3.24Å; R152-S193 CarbonylContact C-O 3.55Å; R152-S193 VanDerWaalsContact CA-O 3.27Å; R152-S193 WeakPolarHBondContact CA-O 3.48Å; R152-S193 WeakPolarHBondContact CB-OG 3.5Å; I153-S193 PolarHBondContact N-O 3.39Å; S193-D231 VanDerWaalsContact CA-O 3.24Å; S193-D231 WeakPolarHBondContact CA-O 3.45Å
194F98.3Very high92Very high1 Ų132.6 Ų32.60%0.00420%0.195CC..  trans-146.7169.1168.660.5-102.4000110.2I153 T155 V196 Y206 A209 I210 A213 L230 D231 I232 G233I153-F194 HydrophobicContact CD1-CB 4.43Å; I153-F194 HydrophobicContact CG1-CB 3.8Å; T155-F194 HydrophobicContact CG2-CB 3.68Å; T155-F194 HydrophobicContact CG2-CD2 4.18Å; T155-F194 HydrophobicContact CG2-CG 4.21Å; F194-V196 HydrophobicContact CD2-CG1 4.1Å; F194-V196 HydrophobicContact CE2-CG1 4.09Å; F194-Y206 HydrophobicContact CE2-CD1 4.15Å; F194-A209 HydrophobicContact CB-CB 4.43Å; F194-A209 HydrophobicContact CD1-CB 3.93Å; F194-A209 HydrophobicContact CD2-CB 3.52Å; F194-A209 HydrophobicContact CE1-CB 3.97Å; F194-A209 HydrophobicContact CE2-CB 3.58Å; F194-A209 HydrophobicContact CG-CB 3.7Å; F194-A209 HydrophobicContact CZ-CB 3.81Å; F194-I210 HydrophobicContact CE1-CG1 4.07Å; F194-I210 HydrophobicContact CZ-CG1 3.73Å; F194-A213 HydrophobicContact CD1-CB 4.34Å; F194-A213 HydrophobicContact CE1-CB 4.41Å; F194-L230 HydrophobicContact CE1-CD1 4.26Å; F194-D231 PolarHBondContact N-O 3.32Å; F194-D231 VanDerWaalsContact N-O 3.15Å; F194-I232 HydrophobicContact CE1-CB 4.32Å; F194-I232 HydrophobicContact CE1-CG2 4.11Å; F194-I232 HydrophobicContact CE2-CB 4Å; F194-I232 VanDerWaalsContact CE2-O 3.29Å; F194-I232 WeakPolarHBondContact CE2-O 3.4Å; F194-I232 HydrophobicContact CZ-CB 3.61Å; F194-I232 HydrophobicContact CZ-CG2 3.72Å; F194-I232 CarbonylContact O-C 3.53Å; F194-G233 WeakPolarHBondContact O-CA 3.42Å; F194-G233 PolarHBondContact O-N 3.23Å
195H96Very high91.8Very high21 Ų2126.7 Ų26.710%0.09717%0.168CC..  trans-148.3109.2174.7-173.1-59.6000109.6T155 L164 G197 G234T155-H195 PolarHBondContact OG1-O 3.33Å; T155-H195 VanDerWaalsContact OG1-O 3.12Å; L164-H195 WeakPolarHBondContact CD1-ND1 3.5Å; H195-G197 WeakPolarHBondContact ND1-CA 3.09Å; H195-G197 PolarHBondContact ND1-N 2.74Å; H195-G197 PolarHBondContact O-N 3.36Å; H195-G234 PolarHBondContact CD2-N 3.49Å
196V90.1Very high91.7Very high0 Ų024.1 Ų24.10%015%0.154CC..  trans-69.4-6.3-173-570000114.9D157 F194 C200 T205 Y206 A209D157-V196 WeakPolarHBondContact CB-O 3.3Å; F194-V196 HydrophobicContact CD2-CG1 4.1Å; F194-V196 HydrophobicContact CE2-CG1 4.09Å; V196-C200 HydrophobicContact CG2-CB 3.91Å; V196-T205 HydrophobicContact CB-CG2 3.8Å; V196-T205 HydrophobicContact CG1-CG2 3.78Å; V196-Y206 HydrophobicContact CB-CE1 4.48Å; V196-Y206 HydrophobicContact CG1-CD1 3.81Å; V196-Y206 HydrophobicContact CG1-CD2 4.3Å; V196-Y206 HydrophobicContact CG1-CE1 4.02Å; V196-Y206 HydrophobicContact CG1-CE2 4.5Å; V196-Y206 HydrophobicContact CG1-CG 3.97Å; V196-Y206 HydrophobicContact CG2-CD1 4.18Å; V196-Y206 HydrophobicContact CG2-CD2 4.08Å; V196-Y206 HydrophobicContact CG2-CE1 3.6Å; V196-Y206 HydrophobicContact CG2-CE2 3.49Å; V196-Y206 VanDerWaalsContact CG2-CE2 3.49Å; V196-Y206 HydrophobicContact CG2-CG 4.4Å; V196-Y206 WeakPolarHBondContact CG2-OH 3.5Å; V196-A209 HydrophobicContact CG1-CB 4.42Å
197G78.5Confident91.7Very high0 Ų022.2 Ų22.20%013%0.13CC..  trans106.1157178.400000111.6H195 G235H195-G197 WeakPolarHBondContact ND1-CA 3.09Å; H195-G197 PolarHBondContact ND1-N 2.74Å; H195-G197 PolarHBondContact O-N 3.36Å; G197-G235 WeakPolarHBondContact O-CA 3.27Å
198S77.4Confident91.6Very high13 Ų1326.5 Ų26.59%0.09115%0.149CC..BIsolated β-bridgetrans-77.9135177.51770000110V161 C162 R275V161-S198 WeakPolarHBondContact CB-O 3.37Å; V161-S198 PolarHBondContact N-O 3.04Å; C162-S198 PolarHBondContact N-O 3.47Å; C162-S198 VanDerWaalsContact N-O 3.11Å; C162-S198 PolarHBondContact O-N 3.23Å; S198-R275 PolarHBondContact OG-NE 2.85Å; S198-R275 PolarHBondContact OG-NH2 3.41Å
199G72.4Confident91.5Very high26 Ų2623.9 Ų23.927%0.26814%0.135SC..THydrogen-bonded Turntrans68.837.3-179.200000112.6V161 T201V161-G199 PolarHBondContact N-O 3.47Å; G199-T201 PolarHBondContact O-N 3.29Å
200C79.8Confident91.5Very high8 Ų823.9 Ų23.95%0.05414%0.135CC..  trans-56.2127.8174.1-176.30000110.2V196 D202 L244V196-C200 HydrophobicContact CG2-CB 3.91Å; C200-D202 PolarHBondContact SG-O 3.01Å; C200-L244 WeakPolarHBondContact O-CD2 3.47Å
201T81.3Confident91.5Very high94 Ų9424.4 Ų24.458%0.57714%0.141SC*.SBendtrans-99.7-1.7179.865.40000113.7K159 G199K159-T201 PolarHBondContact O-N 3.13Å; K159-T201 VanDerWaalsContact O-N 3.13Å; K159-T201 PolarHBondContact O-OG1 3.19Å; K159-T201 VanDerWaalsContact O-OG1 3.09Å; G199-T201 PolarHBondContact O-N 3.29Å
202D88.3Confident91.5Very high38 Ų3826.3 Ų26.320%0.20315%0.151CC..  trans-127.3106.4-179.4-172.7-3.7000110.6K159 C200 E204 T205K159-D202 HydrophobicContact CB-CB 4.38Å; K159-D202 HydrophobicContact CD-CB 3.6Å; K159-D202 IonicContact NZ-OD2 2.77Å; K159-D202 PolarHBondContact NZ-OD2 3.09Å; C200-D202 PolarHBondContact SG-O 3.01Å; D202-E204 PolarHBondContact O-N 3.25Å; D202-E204 PolarHBondContact OD1-N 3Å; D202-E204 VanDerWaalsContact OD1-N 3.17Å; D202-T205 PolarHBondContact O-N 3.11Å; D202-T205 PolarHBondContact O-OG1 2.81Å
203P91.1Very high91.5Very high25 Ų2526.3 Ų26.316%0.16215%0.151CC..THydrogen-bonded Turntrans-66.4-22.1-176.628.7-34.7000113T205 Y206 L244 I249 V252P203-T205 PolarHBondContact O-N 3.32Å; P203-Y206 WeakPolarHBondContact O-CB 3.36Å; P203-Y206 PolarHBondContact O-N 2.92Å; P203-Y206 VanDerWaalsContact O-N 3.09Å; P203-L244 HydrophobicContact CB-CD2 4.35Å; P203-L244 HydrophobicContact CG-CD1 4.19Å; P203-L244 HydrophobicContact CG-CD2 4.48Å; P203-I249 HydrophobicContact CB-CG1 4.35Å; P203-V252 HydrophobicContact CB-CB 4.22Å; P203-V252 HydrophobicContact CB-CG2 3.92Å; P203-V252 HydrophobicContact CG-CG2 4.16Å
204E93.6Very high91.5Very high105 Ų10529 Ų2949%0.49116%0.161SC..Hα-helixtrans-65-22.3179.3-68.8-58.4142.800112.9D202 Y206 S207 Q208D202-E204 PolarHBondContact O-N 3.25Å; D202-E204 PolarHBondContact OD1-N 3Å; D202-E204 VanDerWaalsContact OD1-N 3.17Å; E204-Y206 PolarHBondContact O-N 3.01Å; E204-S207 WeakPolarHBondContact O-CB 3.44Å; E204-S207 PolarHBondContact O-N 3.07Å; E204-Q208 PolarHBondContact O-N 3Å
205T93.3Very high91.5Very high11 Ų1131.5 Ų31.57%0.06718%0.178CC..Hα-helixtrans-57.4-34.5173-57.90000111.7D156 V196 D202 P203 A209D156-T205 WeakPolarHBondContact O-CG2 3.24Å; V196-T205 HydrophobicContact CB-CG2 3.8Å; V196-T205 HydrophobicContact CG1-CG2 3.78Å; D202-T205 PolarHBondContact O-N 3.11Å; D202-T205 PolarHBondContact O-OG1 2.81Å; P203-T205 PolarHBondContact O-N 3.32Å; T205-A209 WeakPolarHBondContact O-CB 3.32Å; T205-A209 PolarHBondContact O-N 3.28Å
206Y96.6Very high91.7Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-67.9-43.7174.1-73.9-88.3000111.8F194 V196 P203 E204 Q208 A209 I210 G234 F236 I249 I253F194-Y206 HydrophobicContact CE2-CD1 4.15Å; V196-Y206 HydrophobicContact CB-CE1 4.48Å; V196-Y206 HydrophobicContact CG1-CD1 3.81Å; V196-Y206 HydrophobicContact CG1-CD2 4.3Å; V196-Y206 HydrophobicContact CG1-CE1 4.02Å; V196-Y206 HydrophobicContact CG1-CE2 4.5Å; V196-Y206 HydrophobicContact CG1-CG 3.97Å; V196-Y206 HydrophobicContact CG2-CD1 4.18Å; V196-Y206 HydrophobicContact CG2-CD2 4.08Å; V196-Y206 HydrophobicContact CG2-CE1 3.6Å; V196-Y206 HydrophobicContact CG2-CE2 3.49Å; V196-Y206 VanDerWaalsContact CG2-CE2 3.49Å; V196-Y206 HydrophobicContact CG2-CG 4.4Å; V196-Y206 WeakPolarHBondContact CG2-OH 3.5Å; P203-Y206 WeakPolarHBondContact O-CB 3.36Å; P203-Y206 PolarHBondContact O-N 2.92Å; P203-Y206 VanDerWaalsContact O-N 3.09Å; E204-Y206 PolarHBondContact O-N 3.01Å; Y206-Q208 VanDerWaalsContact C-N 3.32Å; Y206-Q208 PolarHBondContact O-N 2.94Å; Y206-A209 PolarHBondContact O-N 2.7Å; Y206-I210 WeakPolarHBondContact O-CB 3.48Å; Y206-I210 WeakPolarHBondContact O-CD1 3.16Å; Y206-I210 WeakPolarHBondContact O-CG1 3.49Å; Y206-I210 PolarHBondContact O-N 2.95Å; Y206-G234 PolarHBondContact OH-O 2.66Å; Y206-G234 VanDerWaalsContact OH-O 3.05Å; Y206-F236 HydrophobicContact CE1-CE1 4.11Å; Y206-F236 HydrophobicContact CE1-CZ 4.05Å; Y206-I249 HydrophobicContact CD2-CG2 3.77Å; Y206-I249 HydrophobicContact CE2-CG2 3.48Å; Y206-I249 VanDerWaalsContact CE2-CG2 3.48Å; Y206-I249 HydrophobicContact CG-CG2 4.48Å; Y206-I253 HydrophobicContact CD1-CD1 3.63Å; Y206-I253 HydrophobicContact CD1-CG1 4.08Å; Y206-I253 HydrophobicContact CD2-CD1 4.32Å; Y206-I253 HydrophobicContact CE1-CD1 3.98Å; Y206-I253 HydrophobicContact CG-CD1 3.81Å; Y206-I253 HydrophobicContact CG-CG1 3.9Å
207S97Very high92.1Very high29 Ų2930.9 Ų30.920%0.20318%0.175CC..Hα-helixtrans-59.2-44.5178.7-175.50000111.3E204 I210 S211E204-S207 WeakPolarHBondContact O-CB 3.44Å; E204-S207 PolarHBondContact O-N 3.07Å; S207-I210 PolarHBondContact O-N 2.87Å; S207-S211 PolarHBondContact O-N 3.02Å
208Q96.9Very high93Very high107 Ų10734.3 Ų34.350%0.519%0.193SC..Hα-helixtrans-63.5-46.8175.2-174.459.754.200111.8E204 Y206 I210 S211 D212E204-Q208 PolarHBondContact O-N 3Å; Y206-Q208 VanDerWaalsContact C-N 3.32Å; Y206-Q208 PolarHBondContact O-N 2.94Å; Q208-I210 VanDerWaalsContact C-N 3.32Å; Q208-I210 PolarHBondContact O-N 2.79Å; Q208-S211 WeakPolarHBondContact O-CA 3.43Å; Q208-S211 WeakPolarHBondContact O-CB 3.35Å; Q208-S211 PolarHBondContact O-N 2.72Å; Q208-S211 VanDerWaalsContact O-N 3.09Å; Q208-D212 PolarHBondContact NE2-OD1 3Å; Q208-D212 PolarHBondContact O-N 2.92Å
209A97.6Very high94Very high1 Ų135.3 Ų35.31%0.00820%0.197CC..Hα-helixtrans-63.1-36.5179.700000112.8T155 F194 V196 T205 Y206 D212 A213T155-A209 HydrophobicContact CG2-CB 3.7Å; F194-A209 HydrophobicContact CB-CB 4.43Å; F194-A209 HydrophobicContact CD1-CB 3.93Å; F194-A209 HydrophobicContact CD2-CB 3.52Å; F194-A209 HydrophobicContact CE1-CB 3.97Å; F194-A209 HydrophobicContact CE2-CB 3.58Å; F194-A209 HydrophobicContact CG-CB 3.7Å; F194-A209 HydrophobicContact CZ-CB 3.81Å; V196-A209 HydrophobicContact CG1-CB 4.42Å; T205-A209 WeakPolarHBondContact O-CB 3.32Å; T205-A209 PolarHBondContact O-N 3.28Å; Y206-A209 PolarHBondContact O-N 2.7Å; A209-D212 PolarHBondContact O-N 2.77Å; A209-A213 WeakPolarHBondContact O-CB 3.46Å; A209-A213 PolarHBondContact O-N 2.74Å
210I98.7Very high95.3Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-64.1-43.4172.6-67163.6000110.4F194 Y206 S207 Q208 A213 R214 I253 A256 L257 Y260 F261F194-I210 HydrophobicContact CE1-CG1 4.07Å; F194-I210 HydrophobicContact CZ-CG1 3.73Å; Y206-I210 WeakPolarHBondContact O-CB 3.48Å; Y206-I210 WeakPolarHBondContact O-CD1 3.16Å; Y206-I210 WeakPolarHBondContact O-CG1 3.49Å; Y206-I210 PolarHBondContact O-N 2.95Å; S207-I210 PolarHBondContact O-N 2.87Å; Q208-I210 VanDerWaalsContact C-N 3.32Å; Q208-I210 PolarHBondContact O-N 2.79Å; I210-A213 PolarHBondContact O-N 3.03Å; I210-R214 PolarHBondContact O-N 3.12Å; I210-I253 HydrophobicContact CD1-CG2 4.23Å; I210-A256 HydrophobicContact CB-CB 4.42Å; I210-A256 HydrophobicContact CD1-CB 3.78Å; I210-A256 HydrophobicContact CG2-CB 4.3Å; I210-L257 HydrophobicContact CD1-CD2 3.84Å; I210-L257 HydrophobicContact CD1-CG 4.15Å; I210-L257 HydrophobicContact CG1-CD2 4.17Å; I210-L257 HydrophobicContact CG2-CD2 4.14Å; I210-Y260 HydrophobicContact CG2-CD2 3.8Å; I210-Y260 HydrophobicContact CG2-CG 4.3Å; I210-F261 HydrophobicContact CG2-CD2 3.85Å; I210-F261 HydrophobicContact CG2-CE2 3.86Å; I210-F261 WeakPolarHBondContact O-CE2 3.27Å
211S98.6Very high96.2Very high31 Ų3136.7 Ų36.722%0.21721%0.207CC..Hα-helixtrans-61.1-43.5175.2-174.50000112S207 Q208 R214 C215 Y260S207-S211 PolarHBondContact O-N 3.02Å; Q208-S211 WeakPolarHBondContact O-CA 3.43Å; Q208-S211 WeakPolarHBondContact O-CB 3.35Å; Q208-S211 PolarHBondContact O-N 2.72Å; Q208-S211 VanDerWaalsContact O-N 3.09Å; S211-R214 WeakPolarHBondContact O-CB 3.03Å; S211-R214 PolarHBondContact O-N 3.37Å; S211-C215 PolarHBondContact O-N 3.49Å; S211-Y260 PolarHBondContact OG-OH 3.1Å
212D98.6Very high97Very high39 Ų3938.7 Ų38.721%0.20921%0.209CC..Hα-helixtrans-67.3-40179.2-67.6-17000111.3I153 M172 Q208 A209 R214 C215 V216I153-D212 HydrophobicContact CD1-CB 3.89Å; M172-D212 HydrophobicContact SD-CB 4.06Å; Q208-D212 PolarHBondContact NE2-OD1 3Å; Q208-D212 PolarHBondContact O-N 2.92Å; A209-D212 PolarHBondContact O-N 2.77Å; D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 3.31Å; D212-C215 WeakPolarHBondContact O-CB 3.43Å; D212-C215 PolarHBondContact O-N 2.91Å; D212-C215 VanDerWaalsContact O-N 3.14Å; D212-V216 PolarHBondContact O-N 2.65Å
213A98.8Very high97.5Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-58.4-43173.300000111.3I153 V192 F194 A209 I210 C215 V216 F217 L230 F261I153-A213 HydrophobicContact CD1-CB 4.18Å; V192-A213 HydrophobicContact CB-CB 4.28Å; V192-A213 HydrophobicContact CG1-CB 3.84Å; F194-A213 HydrophobicContact CD1-CB 4.34Å; F194-A213 HydrophobicContact CE1-CB 4.41Å; A209-A213 WeakPolarHBondContact O-CB 3.46Å; A209-A213 PolarHBondContact O-N 2.74Å; I210-A213 PolarHBondContact O-N 3.03Å; A213-C215 VanDerWaalsContact C-N 3.3Å; A213-C215 PolarHBondContact O-N 3.13Å; A213-V216 PolarHBondContact O-N 2.88Å; A213-V216 VanDerWaalsContact O-N 3.1Å; A213-F217 VanDerWaalsContact O-CD2 3.29Å; A213-F217 WeakPolarHBondContact O-CD2 3.32Å; A213-F217 PolarHBondContact O-N 3.36Å; A213-L230 HydrophobicContact CB-CD1 3.66Å; A213-F261 HydrophobicContact CB-CE2 4.43Å; A213-F261 HydrophobicContact CB-CZ 4.21Å
214R98.8Very high97.8Very high59 Ų5939 Ų3922%0.22322%0.221CC..Hα-helixtrans-57.1-44.1175.1-179.163.6-95173.6-9.4112I210 S211 D212 V216 F217 D218 Y260 F261I210-R214 PolarHBondContact O-N 3.12Å; S211-R214 WeakPolarHBondContact O-CB 3.03Å; S211-R214 PolarHBondContact O-N 3.37Å; D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 3.31Å; R214-V216 VanDerWaalsContact C-N 3.3Å; R214-V216 PolarHBondContact O-N 3.3Å; R214-F217 WeakPolarHBondContact O-CB 3.23Å; R214-F217 PolarHBondContact O-N 3.37Å; R214-D218 IonicContact CZ-OD1 2.63Å; R214-D218 VanDerWaalsContact CZ-OD1 3.23Å; R214-D218 IonicContact NE-OD1 2.61Å; R214-D218 PolarHBondContact NE-OD1 2.96Å; R214-D218 IonicContact NE-OD2 3.63Å; R214-D218 IonicContact NH2-OD1 3.1Å; R214-D218 PolarHBondContact NH2-OD1 2.98Å; R214-D218 VanDerWaalsContact O-CG 3.25Å; R214-D218 PolarHBondContact O-N 3.46Å; R214-Y260 HydrophobicContact CB-CD1 4.25Å; R214-Y260 HydrophobicContact CB-CG 4.45Å; R214-Y260 WeakPolarHBondContact CD-O 3.43Å; R214-Y260 HydrophobicContact CG-CD1 4.19Å; R214-F261 HydrophobicContact CB-CE2 4.08Å; R214-F261 HydrophobicContact CB-CZ 3.98Å
215C98.7Very high98.1Very high54 Ų5434.7 Ų34.737%0.36520%0.201SC..Hα-helixtrans-59.8-41.1176.3-173.80000111.8M172 S211 D212 A213 D218 M219M172-C215 HydrophobicContact CE-CB 3.76Å; S211-C215 PolarHBondContact O-N 3.49Å; D212-C215 WeakPolarHBondContact O-CB 3.43Å; D212-C215 PolarHBondContact O-N 2.91Å; D212-C215 VanDerWaalsContact O-N 3.14Å; A213-C215 VanDerWaalsContact C-N 3.3Å; A213-C215 PolarHBondContact O-N 3.13Å; C215-D218 PolarHBondContact O-N 2.55Å; C215-M219 WeakPolarHBondContact O-CG 3.35Å; C215-M219 PolarHBondContact O-N 3.13Å
216V98.8Very high98.3Very high0 Ų040.5 Ų40.50%023%0.231CC..Hα-helixtrans-69.2-35.6175.8177.70000112.7L151 I153 M172 C175 L179 V192 D212 A213 R214 D218 M219 G220L151-V216 HydrophobicContact CD2-CG1 3.85Å; I153-V216 HydrophobicContact CG2-CG2 3.99Å; M172-V216 HydrophobicContact CE-CG2 3.63Å; M172-V216 HydrophobicContact SD-CG2 3.67Å; C175-V216 HydrophobicContact CB-CG1 4.34Å; C175-V216 HydrophobicContact CB-CG2 3.95Å; L179-V216 HydrophobicContact CD1-CG1 4.2Å; V192-V216 HydrophobicContact CG2-CB 3.92Å; V192-V216 HydrophobicContact CG2-CG1 3.56Å; D212-V216 PolarHBondContact O-N 2.65Å; A213-V216 PolarHBondContact O-N 2.88Å; A213-V216 VanDerWaalsContact O-N 3.1Å; R214-V216 VanDerWaalsContact C-N 3.3Å; R214-V216 PolarHBondContact O-N 3.3Å; V216-D218 VanDerWaalsContact C-N 3.28Å; V216-D218 PolarHBondContact O-N 3.34Å; V216-M219 PolarHBondContact O-N 3.41Å; V216-G220 PolarHBondContact O-N 3.01Å
217F98.8Very high98.4Very high8 Ų841 Ų414%0.03523%0.234CC..Hα-helixtrans-60.3-40.1171.2-90.3-112.2000111.7V192 A213 R214 G220 A221 M227 L229 L230 F261 I267V192-F217 HydrophobicContact CB-CD2 4.09Å; V192-F217 HydrophobicContact CB-CE2 3.79Å; V192-F217 HydrophobicContact CG2-CD2 3.58Å; V192-F217 HydrophobicContact CG2-CE2 3.73Å; A213-F217 VanDerWaalsContact O-CD2 3.29Å; A213-F217 WeakPolarHBondContact O-CD2 3.32Å; A213-F217 PolarHBondContact O-N 3.36Å; R214-F217 WeakPolarHBondContact O-CB 3.23Å; R214-F217 PolarHBondContact O-N 3.37Å; F217-G220 PolarHBondContact O-N 3.09Å; F217-A221 PolarHBondContact O-N 2.97Å; F217-M227 HydrophobicContact CB-SD 4.35Å; F217-M227 HydrophobicContact CD1-CB 3.44Å; F217-M227 VanDerWaalsContact CD1-CB 3.44Å; F217-M227 HydrophobicContact CD1-CG 4.38Å; F217-M227 HydrophobicContact CD1-SD 4.12Å; F217-M227 HydrophobicContact CD2-SD 4.11Å; F217-M227 HydrophobicContact CE1-CB 3.4Å; F217-M227 HydrophobicContact CG-CB 4.2Å; F217-M227 HydrophobicContact CG-SD 3.9Å; F217-M227 HydrophobicContact CZ-CB 4.15Å; F217-L229 VanDerWaalsContact CZ-O 3.23Å; F217-L229 WeakPolarHBondContact CZ-O 3.16Å; F217-L230 HydrophobicContact CE2-CB 4.43Å; F217-L230 HydrophobicContact CE2-CD1 4.25Å; F217-L230 HydrophobicContact CZ-CB 4.25Å; F217-F261 HydrophobicContact CD1-CE1 4.01Å; F217-F261 AromaticContact CD2-CE1 3.73Å; F217-F261 HydrophobicContact CD2-CE1 3.73Å; F217-F261 AromaticContact CD2-CZ 3.87Å; F217-F261 HydrophobicContact CD2-CZ 3.87Å; F217-F261 AromaticContact CE1-CE1 4Å; F217-F261 HydrophobicContact CE1-CE1 4Å; F217-F261 AromaticContact CE2-CE1 3.67Å; F217-F261 HydrophobicContact CE2-CE1 3.67Å; F217-F261 AromaticContact CE2-CZ 3.92Å; F217-F261 HydrophobicContact CE2-CZ 3.92Å; F217-F261 AromaticContact CG-CE1 3.87Å; F217-F261 HydrophobicContact CG-CE1 3.87Å; F217-F261 HydrophobicContact CG-CZ 4.36Å; F217-F261 AromaticContact CZ-CE1 3.8Å; F217-F261 HydrophobicContact CZ-CE1 3.8Å; F217-F261 HydrophobicContact CZ-CZ 4.47Å; F217-I267 HydrophobicContact CD1-CD1 4.43Å; F217-I267 HydrophobicContact CE1-CD1 3.74Å; F217-I267 HydrophobicContact CE1-CG1 4.36Å; F217-I267 HydrophobicContact CE1-CG2 4.43Å; F217-I267 HydrophobicContact CZ-CG2 4.34Å
218D98.7Very high98.5Very high73 Ų7342.5 Ų42.539%0.3924%0.242SC..Hα-helixtrans-65.2-44.6177.2-59.8-23000111.1R214 C215 V216 G220 A221 E222R214-D218 IonicContact CZ-OD1 2.63Å; R214-D218 VanDerWaalsContact CZ-OD1 3.23Å; R214-D218 IonicContact NE-OD1 2.61Å; R214-D218 PolarHBondContact NE-OD1 2.96Å; R214-D218 IonicContact NE-OD2 3.63Å; R214-D218 IonicContact NH2-OD1 3.1Å; R214-D218 PolarHBondContact NH2-OD1 2.98Å; R214-D218 VanDerWaalsContact O-CG 3.25Å; R214-D218 PolarHBondContact O-N 3.46Å; C215-D218 PolarHBondContact O-N 2.55Å; V216-D218 VanDerWaalsContact C-N 3.28Å; V216-D218 PolarHBondContact O-N 3.34Å; D218-G220 VanDerWaalsContact C-N 3.26Å; D218-G220 PolarHBondContact O-N 3.1Å; D218-A221 WeakPolarHBondContact O-CB 3.48Å; D218-A221 PolarHBondContact O-N 3.17Å; D218-E222 WeakPolarHBondContact O-CG 3.48Å; D218-E222 PolarHBondContact O-N 2.9Å
219M98.8Very high98.5Very high33 Ų3337.6 Ų37.616%0.16322%0.219CC..Hα-helixtrans-58.1-40.3171.4-64-179.2-16300111.8M172 C175 R176 L179 C215 V216 E222 V223M172-M219 HydrophobicContact CE-CE 3.76Å; C175-M219 HydrophobicContact CB-SD 4.39Å; R176-M219 HydrophobicContact CB-SD 3.99Å; L179-M219 HydrophobicContact CD1-CB 3.86Å; C215-M219 WeakPolarHBondContact O-CG 3.35Å; C215-M219 PolarHBondContact O-N 3.13Å; V216-M219 PolarHBondContact O-N 3.41Å; M219-E222 PolarHBondContact O-N 2.7Å; M219-V223 WeakPolarHBondContact O-CG2 3.24Å; M219-V223 PolarHBondContact O-N 3.48Å; M219-V223 VanDerWaalsContact O-N 3.1Å
220G98.7Very high98.6Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-59.5-45.7176.100000112.3V216 F217 D218 V223 G224 F225V216-G220 PolarHBondContact O-N 3.01Å; F217-G220 PolarHBondContact O-N 3.09Å; D218-G220 VanDerWaalsContact C-N 3.26Å; D218-G220 PolarHBondContact O-N 3.1Å; G220-V223 PolarHBondContact O-N 3.24Å; G220-G224 PolarHBondContact O-N 3.14Å; G220-F225 PolarHBondContact O-N 3.49Å
221A98.5Very high98.6Very high64 Ų6437.6 Ų37.653%0.52922%0.218SC..Hα-helixtrans-62.3-41.9176.800000112F217 D218 V223 G224F217-A221 PolarHBondContact O-N 2.97Å; D218-A221 WeakPolarHBondContact O-CB 3.48Å; D218-A221 PolarHBondContact O-N 3.17Å; A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 3.24Å; A221-G224 WeakPolarHBondContact O-CA 3.46Å; A221-G224 PolarHBondContact O-N 3.32Å
222E98.6Very high98.6Very high135 Ų13536.1 Ų36.163%0.63121%0.208SC*.Hα-helixtrans-62-35.6176.2-68.8171.8-177.900112.9R176 D218 M219 G224R176-E222 IonicContact CZ-OE2 2.87Å; R176-E222 IonicContact NH2-OE2 2.79Å; R176-E222 PolarHBondContact NH2-OE2 3.46Å; D218-E222 WeakPolarHBondContact O-CG 3.48Å; D218-E222 PolarHBondContact O-N 2.9Å; M219-E222 PolarHBondContact O-N 2.7Å; E222-G224 VanDerWaalsContact C-N 3.27Å
223V98.3Very high98.6Very high27 Ų2734.2 Ų34.216%0.16420%0.198CC..Hα-helixtrans-78.6-13.5174.8176.90000111.9L179 E180 K183 M219 G220 A221 F225L179-V223 HydrophobicContact CB-CG2 4.3Å; E180-V223 HydrophobicContact CG-CG2 3.95Å; K183-V223 HydrophobicContact CB-CG1 3.79Å; K183-V223 HydrophobicContact CD-CG1 4.49Å; K183-V223 HydrophobicContact CG-CG1 4.05Å; M219-V223 WeakPolarHBondContact O-CG2 3.24Å; M219-V223 PolarHBondContact O-N 3.48Å; M219-V223 VanDerWaalsContact O-N 3.1Å; G220-V223 PolarHBondContact O-N 3.24Å; A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 3.24Å; V223-F225 HydrophobicContact CB-CD2 4.29Å; V223-F225 HydrophobicContact CB-CE2 4.42Å; V223-F225 HydrophobicContact CG1-CD2 4.1Å; V223-F225 HydrophobicContact CG1-CE2 3.77Å
224G98.4Very high98.4Very high43 Ų4334.3 Ų34.344%0.44320%0.199SC..THydrogen-bonded Turntrans93.332.1177.200000114.4K183 G220 A221 E222K183-G224 PolarHBondContact NZ-O 3.35Å; G220-G224 PolarHBondContact O-N 3.14Å; A221-G224 WeakPolarHBondContact O-CA 3.46Å; A221-G224 PolarHBondContact O-N 3.32Å; E222-G224 VanDerWaalsContact C-N 3.27Å
225F98.6Very high98.1Very high15 Ų1532 Ų327%0.06619%0.194CC..  trans-92.2145.4165.6-68.2-70.3000111.1L179 A182 K183 L187 V189 G220 V223 M227L179-F225 HydrophobicContact CB-CE2 4.16Å; L179-F225 HydrophobicContact CD2-CD2 4.11Å; L179-F225 HydrophobicContact CD2-CE2 4.11Å; L179-F225 WeakPolarHBondContact O-CE2 3.45Å; A182-F225 HydrophobicContact CB-CZ 4.03Å; K183-F225 HydrophobicContact CB-CE2 4.17Å; K183-F225 HydrophobicContact CB-CZ 3.89Å; K183-F225 HydrophobicContact CD-CE1 4.06Å; K183-F225 HydrophobicContact CD-CE2 4.31Å; K183-F225 HydrophobicContact CD-CZ 3.88Å; L187-F225 WeakPolarHBondContact O-CE1 3.31Å; V189-F225 HydrophobicContact CB-CD1 4Å; V189-F225 HydrophobicContact CB-CD2 4.43Å; V189-F225 HydrophobicContact CB-CE1 3.95Å; V189-F225 HydrophobicContact CB-CE2 4.35Å; V189-F225 HydrophobicContact CB-CG 4.25Å; V189-F225 HydrophobicContact CB-CZ 4.12Å; V189-F225 HydrophobicContact CG2-CE1 4.01Å; V189-F225 HydrophobicContact CG2-CE2 4.28Å; V189-F225 HydrophobicContact CG2-CZ 3.84Å; G220-F225 PolarHBondContact O-N 3.49Å; V223-F225 HydrophobicContact CB-CD2 4.29Å; V223-F225 HydrophobicContact CB-CE2 4.42Å; V223-F225 HydrophobicContact CG1-CD2 4.1Å; V223-F225 HydrophobicContact CG1-CE2 3.77Å; F225-M227 HydrophobicContact CB-CG 4.3Å
226N97.7Very high98Very high133 Ų13329.6 Ų29.671%0.71118%0.177SC*.  trans-105.383.6168.2-176.636.5000108.7
227M98.7Very high97.8Very high11 Ų1130.3 Ų30.35%0.05418%0.182CC..  trans-73.3135.6-179.9-66.2-176.8-17600110.7L179 V189 I190 V192 F217 F225 I267L179-M227 HydrophobicContact CD1-CE 4.34Å; L179-M227 HydrophobicContact CD2-CE 3.42Å; L179-M227 VanDerWaalsContact CD2-CE 3.42Å; V189-M227 HydrophobicContact CG1-CE 3.87Å; I190-M227 CarbonylContact O-C 3.56Å; I190-M227 VanDerWaalsContact O-CA 3.3Å; I190-M227 WeakPolarHBondContact O-CA 3.32Å; V192-M227 HydrophobicContact CG2-SD 4.07Å; F217-M227 HydrophobicContact CB-SD 4.35Å; F217-M227 HydrophobicContact CD1-CB 3.44Å; F217-M227 VanDerWaalsContact CD1-CB 3.44Å; F217-M227 HydrophobicContact CD1-CG 4.38Å; F217-M227 HydrophobicContact CD1-SD 4.12Å; F217-M227 HydrophobicContact CD2-SD 4.11Å; F217-M227 HydrophobicContact CE1-CB 3.4Å; F217-M227 HydrophobicContact CG-CB 4.2Å; F217-M227 HydrophobicContact CG-SD 3.9Å; F217-M227 HydrophobicContact CZ-CB 4.15Å; F225-M227 HydrophobicContact CB-CG 4.3Å; M227-I267 WeakPolarHBondContact O-CD1 3.44Å
228T98.4Very high97.7Very high60 Ų6030 Ų3037%0.36818%0.18SC..  trans-130.8-2.5-173.253.50000113.3I190 R268I190-T228 PolarHBondContact O-N 3.07Å; T228-R268 PolarHBondContact O-N 3.38Å
229L98.9Very high97.5Very high4 Ų427.5 Ų27.52%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-129.3121.8-174.3-174.670.3000111.8M128 V150 I190 G191 V192 F217 R268 I270M128-L229 HydrophobicContact SD-CD2 4.04Å; V150-L229 HydrophobicContact CG2-CD2 3.74Å; I190-L229 HydrophobicContact CD1-CB 4.14Å; I190-L229 HydrophobicContact CD1-CD2 3.88Å; I190-L229 PolarHBondContact O-N 2.78Å; G191-L229 CarbonylContact C-O 3.58Å; G191-L229 WeakPolarHBondContact CA-O 3.47Å; V192-L229 PolarHBondContact N-O 3.21Å; V192-L229 VanDerWaalsContact N-O 3.13Å; F217-L229 VanDerWaalsContact CZ-O 3.23Å; F217-L229 WeakPolarHBondContact CZ-O 3.16Å; L229-R268 WeakPolarHBondContact CA-O 3.39Å; L229-R268 HydrophobicContact CD1-CB 4.13Å; L229-R268 HydrophobicContact CD1-CG 4.02Å; L229-I270 HydrophobicContact CD1-CD1 4.18Å; L229-I270 HydrophobicContact CD1-CG1 4.14Å; L229-I270 HydrophobicContact CD1-CG2 3.87Å; L229-I270 HydrophobicContact CD2-CD1 4.35Å
230L98.9Very high97.1Very high0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-107.7131.9164.1176.767.6000109F194 A213 F217 I232 L257 F261 I267 R268 I269 I270F194-L230 HydrophobicContact CE1-CD1 4.26Å; A213-L230 HydrophobicContact CB-CD1 3.66Å; F217-L230 HydrophobicContact CE2-CB 4.43Å; F217-L230 HydrophobicContact CE2-CD1 4.25Å; F217-L230 HydrophobicContact CZ-CB 4.25Å; L230-I232 HydrophobicContact CD2-CG2 4.02Å; L230-I232 HydrophobicContact CG-CG2 4.08Å; L230-L257 HydrophobicContact CD2-CD2 3.73Å; L230-F261 HydrophobicContact CD1-CE2 4.27Å; L230-F261 HydrophobicContact CD1-CZ 4.15Å; L230-F261 HydrophobicContact CD2-CD1 4.47Å; L230-F261 HydrophobicContact CD2-CD2 3.56Å; L230-F261 HydrophobicContact CD2-CE2 3.61Å; L230-F261 HydrophobicContact CD2-CG 4Å; L230-F261 HydrophobicContact CD2-CZ 4.09Å; L230-I267 HydrophobicContact CB-CG2 4.03Å; L230-R268 PolarHBondContact N-O 3.12Å; L230-I269 HydrophobicContact CB-CG1 4.45Å; L230-I269 HydrophobicContact CD2-CG2 4.28Å; L230-I269 HydrophobicContact CG-CG2 4.49Å; L230-I269 CarbonylContact O-C 3.49Å; L230-I269 WeakPolarHBondContact O-CA 3.37Å; L230-I270 PolarHBondContact O-N 3.49Å
231D98.9Very high96.5Very high0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-119.1116.7172.7-176.6-9.3000110.2V192 S193 F194 G233 I270 E272V192-D231 PolarHBondContact O-N 3.19Å; S193-D231 VanDerWaalsContact CA-O 3.24Å; S193-D231 WeakPolarHBondContact CA-O 3.45Å; F194-D231 PolarHBondContact N-O 3.32Å; F194-D231 VanDerWaalsContact N-O 3.15Å; D231-G233 VanDerWaalsContact C-N 3.31Å; D231-G233 PolarHBondContact OD1-N 3Å; D231-I270 WeakPolarHBondContact CA-O 3.47Å; D231-I270 HydrophobicContact CB-CD1 4.03Å; D231-I270 HydrophobicContact CB-CG1 3.59Å; D231-E272 VanDerWaalsContact OD2-OE1 3.09Å
232I98.7Very high96Very high0 Ų035.6 Ų35.60%020%0.203CC..  trans-904.9-176.369.4174.9000113.5M57 V60 F194 L230 F236 I253 L257 I269 I270 A271M57-I232 HydrophobicContact SD-CD1 4.3Å; V60-I232 HydrophobicContact CG1-CD1 3.99Å; V60-I232 HydrophobicContact CG1-CG1 4.38Å; V60-I232 HydrophobicContact CG2-CD1 4.32Å; F194-I232 HydrophobicContact CE1-CB 4.32Å; F194-I232 HydrophobicContact CE1-CG2 4.11Å; F194-I232 HydrophobicContact CE2-CB 4Å; F194-I232 VanDerWaalsContact CE2-O 3.29Å; F194-I232 WeakPolarHBondContact CE2-O 3.4Å; F194-I232 HydrophobicContact CZ-CB 3.61Å; F194-I232 HydrophobicContact CZ-CG2 3.72Å; F194-I232 CarbonylContact O-C 3.53Å; L230-I232 HydrophobicContact CD2-CG2 4.02Å; L230-I232 HydrophobicContact CG-CG2 4.08Å; I232-F236 HydrophobicContact CD1-CZ 4.21Å; I232-I253 HydrophobicContact CD1-CD1 4.31Å; I232-I253 HydrophobicContact CD1-CG2 4.06Å; I232-L257 HydrophobicContact CG2-CD2 4.32Å; I232-I269 HydrophobicContact CG2-CG2 4.17Å; I232-I270 WeakPolarHBondContact CG1-O 3.44Å; I232-I270 PolarHBondContact N-O 2.85Å; I232-A271 HydrophobicContact CD1-CB 4.13Å; I232-A271 HydrophobicContact CG1-CB 3.56Å
233G97.7Very high95.5Very high0 Ų039.1 Ų39.10%022%0.216CC..  trans67.3-154.6174.700000114.3F194 D231 F236 A271 E272F194-G233 WeakPolarHBondContact O-CA 3.42Å; F194-G233 PolarHBondContact O-N 3.23Å; D231-G233 VanDerWaalsContact C-N 3.31Å; D231-G233 PolarHBondContact OD1-N 3Å; G233-F236 WeakPolarHBondContact O-CE2 3.45Å; G233-A271 WeakPolarHBondContact O-CB 3.06Å; G233-E272 PolarHBondContact O-N 3.34Å
234G95.8Very high95.2Very high1 Ų139.1 Ų39.11%0.0122%0.215CC..  trans-114.6-158.4-178.800000113H195 Y206 E272H195-G234 PolarHBondContact CD2-N 3.49Å; Y206-G234 PolarHBondContact OH-O 2.66Å; Y206-G234 VanDerWaalsContact OH-O 3.05Å; G234-E272 WeakPolarHBondContact CA-O 3.41Å
235G92.1Very high95Very high12 Ų1240.1 Ų40.112%0.12421%0.207CC..  trans111.5-8.1178.500000114.9G197G197-G235 WeakPolarHBondContact O-CA 3.27Å
236F96Very high94.9Very high2 Ų239.5 Ų39.51%0.00921%0.205CC..  trans-62.3138.9178.4-49.7-78.9000112.6W53 M57 Y206 I232 G233 F246 I249 I253 A271 P273 Y276W53-F236 AromaticContact CH2-CD2 3.96Å; W53-F236 HydrophobicContact CH2-CD2 3.96Å; W53-F236 AromaticContact CH2-CE2 3.56Å; W53-F236 HydrophobicContact CH2-CE2 3.56Å; W53-F236 AromaticContact CH2-CZ 3.92Å; W53-F236 HydrophobicContact CH2-CZ 3.92Å; W53-F236 AromaticContact CZ3-CD2 3.75Å; W53-F236 HydrophobicContact CZ3-CD2 3.75Å; W53-F236 AromaticContact CZ3-CE2 3.85Å; W53-F236 HydrophobicContact CZ3-CE2 3.85Å; W53-F236 HydrophobicContact CZ3-CG 4.15Å; W53-F236 HydrophobicContact CZ3-CZ 4.3Å; M57-F236 HydrophobicContact CE-CD1 4.49Å; M57-F236 HydrophobicContact CE-CE1 3.99Å; M57-F236 HydrophobicContact CE-CZ 4.17Å; M57-F236 HydrophobicContact SD-CE1 4.39Å; Y206-F236 HydrophobicContact CE1-CE1 4.11Å; Y206-F236 HydrophobicContact CE1-CZ 4.05Å; I232-F236 HydrophobicContact CD1-CZ 4.21Å; G233-F236 WeakPolarHBondContact O-CE2 3.45Å; F236-F246 HydrophobicContact CB-CD2 4.19Å; F236-F246 HydrophobicContact CB-CE2 4.43Å; F236-F246 HydrophobicContact CD1-CD2 4.09Å; F236-F246 AromaticContact CD1-CE2 3.97Å; F236-F246 HydrophobicContact CD1-CE2 3.97Å; F236-F246 HydrophobicContact CG-CD2 4.43Å; F236-F246 HydrophobicContact CG-CE2 4.3Å; F236-I249 HydrophobicContact CD1-CG2 4.05Å; F236-I249 HydrophobicContact CE1-CG2 3.99Å; F236-I253 HydrophobicContact CE1-CD1 3.71Å; F236-I253 HydrophobicContact CZ-CD1 4.24Å; F236-A271 HydrophobicContact CE2-CB 4.31Å; F236-P273 HydrophobicContact CD2-CB 4.15Å; F236-Y276 HydrophobicContact CB-CD2 4.17Å; F236-Y276 HydrophobicContact CB-CG 4.41Å
237P95.5Very high94.8Very high15 Ų1536.6 Ų36.610%0.09719%0.187CC..  trans-66.2146.4179.329-35.7000111.2T242 F246 I249 Y276P237-T242 HydrophobicContact CB-CG2 3.92Å; P237-T242 WeakPolarHBondContact CB-OG1 3.3Å; P237-F246 HydrophobicContact CG-CB 4.23Å; P237-I249 HydrophobicContact CG-CD1 4.31Å; P237-Y276 WeakPolarHBondContact O-CD2 3.48Å
238G95.8Very high94.7Very high1 Ų140.8 Ų40.81%0.0121%0.206CC..SBendtrans-105.7-4.9-178.200000115.6K49 S280K49-G238 PolarHBondContact NZ-O 3.16Å; G238-S280 PolarHBondContact O-N 3.41Å; G238-S280 PolarHBondContact O-OG 2.89Å
239S94Very high94.6Very high22 Ų2238 Ų3815%0.15419%0.189CC..SBendtrans-140.6168.2177.869.30000110.5D241 N384S239-D241 PolarHBondContact OG-N 2.95Å; S239-N384 VanDerWaalsContact CB-CG 3.47Å; S239-N384 WeakPolarHBondContact CB-OD1 3.48Å
240E90.6Very high94.6Very high95 Ų9538.1 Ų38.144%0.44419%0.19SC..THydrogen-bonded Turntrans-84.14.1174.2-62.1-59.4143.700112.6R52 T242 K245R52-E240 IonicContact CZ-OE1 2.7Å; R52-E240 VanDerWaalsContact CZ-OE1 3.27Å; R52-E240 IonicContact NH1-OE1 2.64Å; R52-E240 PolarHBondContact NH1-OE1 2.84Å; R52-E240 IonicContact NH2-OE1 2.58Å; R52-E240 PolarHBondContact NH2-OE1 3.37Å; E240-T242 VanDerWaalsContact C-N 3.27Å; E240-T242 PolarHBondContact O-N 2.87Å; E240-K245 PolarHBondContact O-NZ 3.11Å
241D86.9Confident94.5Very high124 Ų12441.1 Ų41.166%0.66322%0.215SC*.THydrogen-bonded Turntrans-89.58.5-179.9-61-40.4000113.1S239 N384S239-D241 PolarHBondContact OG-N 2.95Å; D241-N384 PolarHBondContact OD2-ND2 2.8Å
242T86.8Confident94.5Very high47 Ų4742.5 Ų42.529%0.28822%0.223SC..SBendtrans-93149.3175.862.10000111.4P237 E240 L244 K245P237-T242 HydrophobicContact CB-CG2 3.92Å; P237-T242 WeakPolarHBondContact CB-OG1 3.3Å; E240-T242 VanDerWaalsContact C-N 3.27Å; E240-T242 PolarHBondContact O-N 2.87Å; T242-L244 PolarHBondContact OG1-O 3.1Å; T242-K245 PolarHBondContact O-NZ 2.82Å
243K88.8Confident94.5Very high210 Ų21042.5 Ų42.591%0.91322%0.223SC*.SBendtrans-64.1-45.9176.4-175.8-179.8177.2-1760112.1
244L91.1Very high94.5Very high26 Ų2644.4 Ų44.414%0.13623%0.233CC..SBendtrans-91.8122.5176.2-175.264.6000109.1C200 P203 T242 E248 I249C200-L244 WeakPolarHBondContact O-CD2 3.47Å; P203-L244 HydrophobicContact CB-CD2 4.35Å; P203-L244 HydrophobicContact CG-CD1 4.19Å; P203-L244 HydrophobicContact CG-CD2 4.48Å; T242-L244 PolarHBondContact OG1-O 3.1Å; L244-E248 HydrophobicContact CD1-CB 3.82Å; L244-I249 HydrophobicContact CD1-CG1 4.4Å; L244-I249 HydrophobicContact CD2-CD1 3.84Å; L244-I249 HydrophobicContact CD2-CG1 3.59Å; L244-I249 HydrophobicContact CG-CD1 4.08Å; L244-I249 HydrophobicContact CG-CG1 3.8Å
245K94.9Very high94.6Very high64 Ų6448 Ų4828%0.27826%0.256SS..  trans-88.2162.1-179.9-54.2-53.2-173.4-164.10111.8E240 T242 E248 I249E240-K245 PolarHBondContact O-NZ 3.11Å; T242-K245 PolarHBondContact O-NZ 2.82Å; K245-E248 HydrophobicContact CB-CG 4.25Å; K245-E248 VanDerWaalsContact CB-OE2 3.32Å; K245-E248 WeakPolarHBondContact CB-OE2 3.38Å; K245-E248 WeakPolarHBondContact CG-OE2 3.49Å; K245-E248 PolarHBondContact N-OE2 3.13Å; K245-E248 PolarHBondContact O-N 3.11Å; K245-I249 PolarHBondContact O-N 3.09Å
246F96.5Very high94.9Very high3 Ų347.7 Ų47.71%0.01325%0.252CS..Hα-helixtrans-59-49.6178.4174.9-116.5000112.3R52 W53 A56 M57 F236 P237 E248 I249 T250 Y276R52-F246 HydrophobicContact CG-CD1 4.18Å; R52-F246 HydrophobicContact CG-CE1 4.1Å; W53-F246 HydrophobicContact CD2-CZ 4.48Å; W53-F246 AromaticContact CE3-CE2 3.96Å; W53-F246 HydrophobicContact CE3-CE2 3.96Å; W53-F246 AromaticContact CE3-CZ 3.86Å; W53-F246 HydrophobicContact CE3-CZ 3.86Å; W53-F246 HydrophobicContact CZ3-CE2 4.07Å; W53-F246 HydrophobicContact CZ3-CZ 4.4Å; A56-F246 HydrophobicContact CB-CD1 4.36Å; A56-F246 HydrophobicContact CB-CE1 3.48Å; A56-F246 VanDerWaalsContact CB-CE1 3.48Å; A56-F246 HydrophobicContact CB-CZ 4.02Å; M57-F246 HydrophobicContact CE-CE2 3.61Å; M57-F246 HydrophobicContact CE-CZ 3.64Å; F236-F246 HydrophobicContact CB-CD2 4.19Å; F236-F246 HydrophobicContact CB-CE2 4.43Å; F236-F246 HydrophobicContact CD1-CD2 4.09Å; F236-F246 AromaticContact CD1-CE2 3.97Å; F236-F246 HydrophobicContact CD1-CE2 3.97Å; F236-F246 HydrophobicContact CG-CD2 4.43Å; F236-F246 HydrophobicContact CG-CE2 4.3Å; P237-F246 HydrophobicContact CG-CB 4.23Å; F246-E248 VanDerWaalsContact C-N 3.28Å; F246-E248 PolarHBondContact O-N 2.82Å; F246-I249 WeakPolarHBondContact O-CB 3.33Å; F246-I249 PolarHBondContact O-N 2.94Å; F246-I249 VanDerWaalsContact O-N 3.11Å; F246-T250 HydrophobicContact CD1-CG2 4.37Å; F246-T250 HydrophobicContact CD2-CG2 4.05Å; F246-T250 HydrophobicContact CE1-CG2 4.01Å; F246-T250 HydrophobicContact CE2-CG2 3.66Å; F246-T250 HydrophobicContact CG-CG2 4.4Å; F246-T250 HydrophobicContact CZ-CG2 3.64Å; F246-T250 WeakPolarHBondContact O-CG2 3.14Å; F246-T250 PolarHBondContact O-N 3.01Å; F246-Y276 HydrophobicContact CB-CE2 4.27Å; F246-Y276 AromaticContact CD1-CE2 3.73Å; F246-Y276 HydrophobicContact CD1-CE2 3.73Å; F246-Y276 AromaticContact CD2-CD2 3.81Å; F246-Y276 HydrophobicContact CD2-CD2 3.81Å; F246-Y276 AromaticContact CD2-CE2 3.47Å; F246-Y276 HydrophobicContact CD2-CE2 3.47Å; F246-Y276 VanDerWaalsContact CD2-CE2 3.47Å; F246-Y276 AromaticContact CE1-CE2 3.8Å; F246-Y276 HydrophobicContact CE1-CE2 3.8Å; F246-Y276 AromaticContact CE1-CZ 3.86Å; F246-Y276 VanDerWaalsContact CE1-OH 3.28Å; F246-Y276 WeakPolarHBondContact CE1-OH 3.33Å; F246-Y276 AromaticContact CE2-CD2 3.98Å; F246-Y276 HydrophobicContact CE2-CD2 3.98Å; F246-Y276 AromaticContact CE2-CE2 3.54Å; F246-Y276 HydrophobicContact CE2-CE2 3.54Å; F246-Y276 HydrophobicContact CG-CD2 4.23Å; F246-Y276 AromaticContact CG-CE2 3.55Å; F246-Y276 HydrophobicContact CG-CE2 3.55Å; F246-Y276 AromaticContact CZ-CE2 3.7Å; F246-Y276 HydrophobicContact CZ-CE2 3.7Å; F246-Y276 AromaticContact CZ-CZ 3.76Å
247E96.6Very high95.1Very high72 Ų7247.6 Ų47.634%0.33625%0.252SS..Hα-helixtrans-62-36-177.5-76.773.3-168.900112.3R52 I249 T250 A251R52-E247 IonicContact CZ-OE1 2.62Å; R52-E247 IonicContact CZ-OE2 3.57Å; R52-E247 IonicContact NE-OE1 2.75Å; R52-E247 PolarHBondContact NE-OE1 2.86Å; R52-E247 IonicContact NE-OE2 2.76Å; R52-E247 VanDerWaalsContact NH2-CD 3.34Å; R52-E247 IonicContact NH2-OE1 4Å; R52-E247 PolarHBondContact NH2-OE1 3.32Å; R52-E247 IonicContact NH2-OE2 3.71Å; R52-E247 PolarHBondContact NH2-OE2 3.13Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 2.99Å; E247-T250 WeakPolarHBondContact CA-OG1 3.25Å; E247-T250 PolarHBondContact O-N 3.36Å; E247-T250 PolarHBondContact O-OG1 3.07Å; E247-A251 VanDerWaalsContact O-CB 3.31Å; E247-A251 WeakPolarHBondContact O-CB 3.01Å; E247-A251 PolarHBondContact O-N 3.23Å
248E96.3Very high95.2Very high99 Ų9951.1 Ų51.146%0.46327%0.27SS..Hα-helixtrans-61.8-40.3176.4-64.1177.5101.300111.5L244 K245 F246L244-E248 HydrophobicContact CD1-CB 3.82Å; K245-E248 HydrophobicContact CB-CG 4.25Å; K245-E248 VanDerWaalsContact CB-OE2 3.32Å; K245-E248 WeakPolarHBondContact CB-OE2 3.38Å; K245-E248 WeakPolarHBondContact CG-OE2 3.49Å; K245-E248 PolarHBondContact N-OE2 3.13Å; K245-E248 PolarHBondContact O-N 3.11Å; F246-E248 VanDerWaalsContact C-N 3.28Å; F246-E248 PolarHBondContact O-N 2.82Å
249I96.9Very high95.3Very high1 Ų158 Ų581%0.00530%0.3CS..Hα-helixtrans-66-48174-64.6166.8000110.3P203 Y206 F236 P237 L244 K245 F246 E247 A251 V252 I253P203-I249 HydrophobicContact CB-CG1 4.35Å; Y206-I249 HydrophobicContact CD2-CG2 3.77Å; Y206-I249 HydrophobicContact CE2-CG2 3.48Å; Y206-I249 VanDerWaalsContact CE2-CG2 3.48Å; Y206-I249 HydrophobicContact CG-CG2 4.48Å; F236-I249 HydrophobicContact CD1-CG2 4.05Å; F236-I249 HydrophobicContact CE1-CG2 3.99Å; P237-I249 HydrophobicContact CG-CD1 4.31Å; L244-I249 HydrophobicContact CD1-CG1 4.4Å; L244-I249 HydrophobicContact CD2-CD1 3.84Å; L244-I249 HydrophobicContact CD2-CG1 3.59Å; L244-I249 HydrophobicContact CG-CD1 4.08Å; L244-I249 HydrophobicContact CG-CG1 3.8Å; K245-I249 PolarHBondContact O-N 3.09Å; F246-I249 WeakPolarHBondContact O-CB 3.33Å; F246-I249 PolarHBondContact O-N 2.94Å; F246-I249 VanDerWaalsContact O-N 3.11Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 2.99Å; I249-A251 VanDerWaalsContact C-N 3.26Å; I249-A251 PolarHBondContact O-N 2.89Å; I249-V252 PolarHBondContact O-N 3.14Å; I249-V252 VanDerWaalsContact O-N 3.12Å; I249-I253 HydrophobicContact CG2-CD1 3.55Å; I249-I253 HydrophobicContact CG2-CG1 4.26Å; I249-I253 WeakPolarHBondContact O-CG1 3.12Å; I249-I253 PolarHBondContact O-N 3.19Å
250T97.6Very high95.5Very high7 Ų759.3 Ų59.34%0.04330%0.302CS..Hα-helixtrans-65.6-29.2-178.264.80000113.1A56 M57 F246 E247 V252 I253 N254A56-T250 HydrophobicContact CB-CG2 4.05Å; M57-T250 HydrophobicContact CE-CG2 3.81Å; M57-T250 HydrophobicContact CG-CG2 3.62Å; M57-T250 HydrophobicContact SD-CG2 3.8Å; F246-T250 HydrophobicContact CD1-CG2 4.37Å; F246-T250 HydrophobicContact CD2-CG2 4.05Å; F246-T250 HydrophobicContact CE1-CG2 4.01Å; F246-T250 HydrophobicContact CE2-CG2 3.66Å; F246-T250 HydrophobicContact CG-CG2 4.4Å; F246-T250 HydrophobicContact CZ-CG2 3.64Å; F246-T250 WeakPolarHBondContact O-CG2 3.14Å; F246-T250 PolarHBondContact O-N 3.01Å; E247-T250 WeakPolarHBondContact CA-OG1 3.25Å; E247-T250 PolarHBondContact O-N 3.36Å; E247-T250 PolarHBondContact O-OG1 3.07Å; T250-V252 PolarHBondContact O-N 2.87Å; T250-I253 PolarHBondContact O-N 3.43Å; T250-N254 WeakPolarHBondContact O-CB 3.29Å; T250-N254 PolarHBondContact O-N 2.79Å; T250-N254 PolarHBondContact O-ND2 3.31Å
251A97.6Very high95.9Very high63 Ų6354.8 Ų54.852%0.52128%0.281SS..Hα-helixtrans-66.9-24.317600000112.9E247 I249 P255E247-A251 VanDerWaalsContact O-CB 3.31Å; E247-A251 WeakPolarHBondContact O-CB 3.01Å; E247-A251 PolarHBondContact O-N 3.23Å; I249-A251 VanDerWaalsContact C-N 3.26Å; I249-A251 PolarHBondContact O-N 2.89Å; A251-P255 WeakPolarHBondContact O-CD 3.43Å; A251-P255 VanDerWaalsContact O-CG 3.3Å; A251-P255 WeakPolarHBondContact O-CG 3.49Å
252V97.8Very high96.4Very high28 Ų2851.2 Ų51.217%0.1726%0.264CS..Hα-helixtrans-88.4-40.5172.5175.90000111.2P203 I249 T250 A256P203-V252 HydrophobicContact CB-CB 4.22Å; P203-V252 HydrophobicContact CB-CG2 3.92Å; P203-V252 HydrophobicContact CG-CG2 4.16Å; I249-V252 PolarHBondContact O-N 3.14Å; I249-V252 VanDerWaalsContact O-N 3.12Å; T250-V252 PolarHBondContact O-N 2.87Å; V252-A256 PolarHBondContact O-N 3.01Å
253I98.4Very high96.8Very high0 Ų052.8 Ų52.80%028%0.282CS..Hα-helixtrans-63.2-49.9-179.4-70.9172.8000111.7M57 Y206 I210 I232 F236 I249 T250 A256 L257M57-I253 HydrophobicContact SD-CD1 4.38Å; M57-I253 HydrophobicContact SD-CG2 4.3Å; Y206-I253 HydrophobicContact CD1-CD1 3.63Å; Y206-I253 HydrophobicContact CD1-CG1 4.08Å; Y206-I253 HydrophobicContact CD2-CD1 4.32Å; Y206-I253 HydrophobicContact CE1-CD1 3.98Å; Y206-I253 HydrophobicContact CG-CD1 3.81Å; Y206-I253 HydrophobicContact CG-CG1 3.9Å; I210-I253 HydrophobicContact CD1-CG2 4.23Å; I232-I253 HydrophobicContact CD1-CD1 4.31Å; I232-I253 HydrophobicContact CD1-CG2 4.06Å; F236-I253 HydrophobicContact CE1-CD1 3.71Å; F236-I253 HydrophobicContact CZ-CD1 4.24Å; I249-I253 HydrophobicContact CG2-CD1 3.55Å; I249-I253 HydrophobicContact CG2-CG1 4.26Å; I249-I253 WeakPolarHBondContact O-CG1 3.12Å; I249-I253 PolarHBondContact O-N 3.19Å; T250-I253 PolarHBondContact O-N 3.43Å; I253-A256 WeakPolarHBondContact O-CB 3.47Å; I253-A256 PolarHBondContact O-N 2.9Å; I253-A256 VanDerWaalsContact O-N 3.13Å; I253-L257 HydrophobicContact CG2-CD1 3.61Å; I253-L257 HydrophobicContact CG2-CG 3.88Å; I253-L257 WeakPolarHBondContact O-CG 3.38Å; I253-L257 PolarHBondContact O-N 2.79Å
254N98.5Very high97Very high40 Ų4049.6 Ų49.621%0.21428%0.275CS..Hα-helixtrans-59.2-49.5-172.1-73.5-34.6000112.8A56 T250 A256 L257 D258A56-N254 PolarHBondContact O-ND2 3.11Å; T250-N254 WeakPolarHBondContact O-CB 3.29Å; T250-N254 PolarHBondContact O-N 2.79Å; T250-N254 PolarHBondContact O-ND2 3.31Å; N254-A256 VanDerWaalsContact C-N 3.32Å; N254-A256 PolarHBondContact O-N 3.23Å; N254-L257 PolarHBondContact O-N 3.24Å; N254-D258 PolarHBondContact O-N 2.78Å
255P98.4Very high97.1Very high76 Ų7650.7 Ų50.749%0.49429%0.285SS..Hα-helixtrans-62-36175.2-23.934.9000113.6A251 D258 K259A251-P255 WeakPolarHBondContact O-CD 3.43Å; A251-P255 VanDerWaalsContact O-CG 3.3Å; A251-P255 WeakPolarHBondContact O-CG 3.49Å; P255-D258 PolarHBondContact O-N 3.37Å; P255-K259 WeakPolarHBondContact O-CB 3.48Å; P255-K259 PolarHBondContact O-N 3.44Å
256A98.6Very high97.1Very high6 Ų650.6 Ų50.65%0.0530%0.301CS..Hα-helixtrans-65.7-42.3176.100000111.4I210 V252 I253 N254 K259 Y260I210-A256 HydrophobicContact CB-CB 4.42Å; I210-A256 HydrophobicContact CD1-CB 3.78Å; I210-A256 HydrophobicContact CG2-CB 4.3Å; V252-A256 PolarHBondContact O-N 3.01Å; I253-A256 WeakPolarHBondContact O-CB 3.47Å; I253-A256 PolarHBondContact O-N 2.9Å; I253-A256 VanDerWaalsContact O-N 3.13Å; N254-A256 VanDerWaalsContact C-N 3.32Å; N254-A256 PolarHBondContact O-N 3.23Å; A256-K259 PolarHBondContact O-N 3.42Å; A256-Y260 HydrophobicContact CB-CD2 4.42Å; A256-Y260 WeakPolarHBondContact O-CD2 3.38Å; A256-Y260 PolarHBondContact O-N 2.85Å
257L98.7Very high97.2Very high0 Ų051.7 Ų51.70%031%0.307CS..Hα-helixtrans-62.1-43.6173.8-67.6-179.9000111.4V60 I210 L230 I232 I253 N254 K259 F261 I269V60-L257 HydrophobicContact CG2-CD1 3.77Å; I210-L257 HydrophobicContact CD1-CD2 3.84Å; I210-L257 HydrophobicContact CD1-CG 4.15Å; I210-L257 HydrophobicContact CG1-CD2 4.17Å; I210-L257 HydrophobicContact CG2-CD2 4.14Å; L230-L257 HydrophobicContact CD2-CD2 3.73Å; I232-L257 HydrophobicContact CG2-CD2 4.32Å; I253-L257 HydrophobicContact CG2-CD1 3.61Å; I253-L257 HydrophobicContact CG2-CG 3.88Å; I253-L257 WeakPolarHBondContact O-CG 3.38Å; I253-L257 PolarHBondContact O-N 2.79Å; N254-L257 PolarHBondContact O-N 3.24Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 2.76Å; L257-F261 CarbonylContact O-C 3.51Å; L257-F261 VanDerWaalsContact O-CA 3.27Å; L257-F261 WeakPolarHBondContact O-CA 3.38Å; L257-F261 PolarHBondContact O-N 3Å; L257-I269 HydrophobicContact CB-CD1 4.42Å; L257-I269 HydrophobicContact CD1-CD1 4.11Å; L257-I269 HydrophobicContact CD1-CG2 4.31Å; L257-I269 HydrophobicContact CD2-CD1 4.08Å; L257-I269 HydrophobicContact CD2-CG2 4.34Å; L257-I269 HydrophobicContact CG-CD1 4.43Å
258D98.3Very high97.3Very high89 Ų8953.3 Ų53.348%0.47631%0.31SS..Hα-helixtrans-64-36.9178-68.8-19000112.2R59 N254 P255R59-D258 IonicContact CZ-OD1 3.86Å; R59-D258 IonicContact NH1-OD1 3Å; R59-D258 PolarHBondContact NH1-OD1 3.36Å; N254-D258 PolarHBondContact O-N 2.78Å; P255-D258 PolarHBondContact O-N 3.37Å
259K98.6Very high97.4Very high146 Ų14648.7 Ų48.764%0.63529%0.289SS*.Hα-helixtrans-69.7-48.6177.9-178.9-177177.6-168.10113P255 A256 L257P255-K259 WeakPolarHBondContact O-CB 3.48Å; P255-K259 PolarHBondContact O-N 3.44Å; A256-K259 PolarHBondContact O-N 3.42Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 2.76Å
260Y98.7Very high97.5Very high50 Ų5048.7 Ų48.720%0.19629%0.289CS..Hα-helixtrans-98.5-24.7-168.9-65.1-65000113.7I210 S211 R214 A256I210-Y260 HydrophobicContact CG2-CD2 3.8Å; I210-Y260 HydrophobicContact CG2-CG 4.3Å; S211-Y260 PolarHBondContact OG-OH 3.1Å; R214-Y260 HydrophobicContact CB-CD1 4.25Å; R214-Y260 HydrophobicContact CB-CG 4.45Å; R214-Y260 WeakPolarHBondContact CD-O 3.43Å; R214-Y260 HydrophobicContact CG-CD1 4.19Å; A256-Y260 HydrophobicContact CB-CD2 4.42Å; A256-Y260 WeakPolarHBondContact O-CD2 3.38Å; A256-Y260 PolarHBondContact O-N 2.85Å
261F98.5Very high97.5Very high0 Ų048.3 Ų48.30%029%0.287CS..SBendtrans-138.467.1-178.1-63.5-83.1000109.4R59 I210 A213 R214 F217 L230 L257 I267R59-F261 PolarHBondContact NH1-O 3.2Å; R59-F261 PolarHBondContact NH2-O 3.3Å; I210-F261 HydrophobicContact CG2-CD2 3.85Å; I210-F261 HydrophobicContact CG2-CE2 3.86Å; I210-F261 WeakPolarHBondContact O-CE2 3.27Å; A213-F261 HydrophobicContact CB-CE2 4.43Å; A213-F261 HydrophobicContact CB-CZ 4.21Å; R214-F261 HydrophobicContact CB-CE2 4.08Å; R214-F261 HydrophobicContact CB-CZ 3.98Å; F217-F261 HydrophobicContact CD1-CE1 4.01Å; F217-F261 AromaticContact CD2-CE1 3.73Å; F217-F261 HydrophobicContact CD2-CE1 3.73Å; F217-F261 AromaticContact CD2-CZ 3.87Å; F217-F261 HydrophobicContact CD2-CZ 3.87Å; F217-F261 AromaticContact CE1-CE1 4Å; F217-F261 HydrophobicContact CE1-CE1 4Å; F217-F261 AromaticContact CE2-CE1 3.67Å; F217-F261 HydrophobicContact CE2-CE1 3.67Å; F217-F261 AromaticContact CE2-CZ 3.92Å; F217-F261 HydrophobicContact CE2-CZ 3.92Å; F217-F261 AromaticContact CG-CE1 3.87Å; F217-F261 HydrophobicContact CG-CE1 3.87Å; F217-F261 HydrophobicContact CG-CZ 4.36Å; F217-F261 AromaticContact CZ-CE1 3.8Å; F217-F261 HydrophobicContact CZ-CE1 3.8Å; F217-F261 HydrophobicContact CZ-CZ 4.47Å; L230-F261 HydrophobicContact CD1-CE2 4.27Å; L230-F261 HydrophobicContact CD1-CZ 4.15Å; L230-F261 HydrophobicContact CD2-CD1 4.47Å; L230-F261 HydrophobicContact CD2-CD2 3.56Å; L230-F261 HydrophobicContact CD2-CE2 3.61Å; L230-F261 HydrophobicContact CD2-CG 4Å; L230-F261 HydrophobicContact CD2-CZ 4.09Å; L257-F261 CarbonylContact O-C 3.51Å; L257-F261 VanDerWaalsContact O-CA 3.27Å; L257-F261 WeakPolarHBondContact O-CA 3.38Å; L257-F261 PolarHBondContact O-N 3Å; F261-I267 HydrophobicContact CD1-CB 4.45Å; F261-I267 HydrophobicContact CD1-CG1 4.16Å; F261-I267 HydrophobicContact CD1-CG2 4.11Å
262P97.5Very high97.6Very high49 Ų4945.9 Ų45.932%0.31826%0.264SS..  trans-61.6155.2-175.528.3-36.8000111.7D264 S265P262-D264 VanDerWaalsContact CB-OD1 3.29Å; P262-D264 WeakPolarHBondContact CB-OD1 3.18Å; P262-D264 WeakPolarHBondContact CG-OD1 3.31Å; P262-D264 PolarHBondContact O-N 3.33Å; P262-D264 VanDerWaalsContact O-N 3.14Å; P262-S265 VanDerWaalsContact O-CB 3.27Å; P262-S265 WeakPolarHBondContact O-CB 3.41Å; P262-S265 PolarHBondContact O-N 3.26Å; P262-S265 PolarHBondContact O-OG 3.23Å
263A93.7Very high97.6Very high80 Ų8044.6 Ų44.666%0.66126%0.256SS*.G310 helixtrans-61-26.6-171.300000114.4S265A263-S265 VanDerWaalsContact C-N 3.31Å
264D93.9Very high97.6Very high143 Ų14344.9 Ų44.977%0.76526%0.259SS*.G310 helixtrans-79-9.7177.363.2-16.5000113.8P262 G266P262-D264 VanDerWaalsContact CB-OD1 3.29Å; P262-D264 WeakPolarHBondContact CB-OD1 3.18Å; P262-D264 WeakPolarHBondContact CG-OD1 3.31Å; P262-D264 PolarHBondContact O-N 3.33Å; P262-D264 VanDerWaalsContact O-N 3.14Å; D264-G266 PolarHBondContact O-N 2.88Å
265S93.4Very high97.6Very high49 Ų4944.9 Ų44.934%0.34326%0.257SS..G310 helixtrans-70.2-9.2177.366.20000114.2P262 A263 I267P262-S265 VanDerWaalsContact O-CB 3.27Å; P262-S265 WeakPolarHBondContact O-CB 3.41Å; P262-S265 PolarHBondContact O-N 3.26Å; P262-S265 PolarHBondContact O-OG 3.23Å; A263-S265 VanDerWaalsContact C-N 3.31Å; S265-I267 PolarHBondContact O-N 2.82Å; S265-I267 WeakPolarHBondContact OG-CG1 3.38Å
266G94.3Very high97.5Very high61 Ų6141.3 Ų41.363%0.62923%0.233SC*.  trans71.39.7-178.700000114.4D264D264-G266 PolarHBondContact O-N 2.88Å
267I98.3Very high97.6Very high26 Ų2641 Ų4113%0.13323%0.231CC..  trans-78.3124.7179.5-58.3-52.8000110.6F217 M227 L230 F261 S265 I269F217-I267 HydrophobicContact CD1-CD1 4.43Å; F217-I267 HydrophobicContact CE1-CD1 3.74Å; F217-I267 HydrophobicContact CE1-CG1 4.36Å; F217-I267 HydrophobicContact CE1-CG2 4.43Å; F217-I267 HydrophobicContact CZ-CG2 4.34Å; M227-I267 WeakPolarHBondContact O-CD1 3.44Å; L230-I267 HydrophobicContact CB-CG2 4.03Å; F261-I267 HydrophobicContact CD1-CB 4.45Å; F261-I267 HydrophobicContact CD1-CG1 4.16Å; F261-I267 HydrophobicContact CD1-CG2 4.11Å; S265-I267 PolarHBondContact O-N 2.82Å; S265-I267 WeakPolarHBondContact OG-CG1 3.38Å; I267-I269 HydrophobicContact CG2-CG1 4.34Å
268R98.6Very high97.5Very high106 Ų10641 Ų4140%0.423%0.231SC..EExtended strand (participates in β ladder)trans-77.6129.4168.1-178.4-178.6179.5-169.73.2108.9T228 L229 L230 I270T228-R268 PolarHBondContact O-N 3.38Å; L229-R268 WeakPolarHBondContact CA-O 3.39Å; L229-R268 HydrophobicContact CD1-CB 4.13Å; L229-R268 HydrophobicContact CD1-CG 4.02Å; L230-R268 PolarHBondContact N-O 3.12Å; R268-I270 HydrophobicContact CG-CG2 4.21Å
269I98.9Very high97.5Very high3 Ų337 Ų372%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-112.2127.7178.2-49.4168.6000108.9V60 T61 L230 I232 L257 I267V60-I269 WeakPolarHBondContact CA-O 3.49Å; V60-I269 HydrophobicContact CG1-CG2 4.25Å; V60-I269 HydrophobicContact CG2-CB 4.46Å; V60-I269 HydrophobicContact CG2-CG2 3.91Å; T61-I269 PolarHBondContact N-O 2.95Å; L230-I269 HydrophobicContact CB-CG1 4.45Å; L230-I269 HydrophobicContact CD2-CG2 4.28Å; L230-I269 HydrophobicContact CG-CG2 4.49Å; L230-I269 CarbonylContact O-C 3.49Å; L230-I269 WeakPolarHBondContact O-CA 3.37Å; I232-I269 HydrophobicContact CG2-CG2 4.17Å; L257-I269 HydrophobicContact CB-CD1 4.42Å; L257-I269 HydrophobicContact CD1-CD1 4.11Å; L257-I269 HydrophobicContact CD1-CG2 4.31Å; L257-I269 HydrophobicContact CD2-CD1 4.08Å; L257-I269 HydrophobicContact CD2-CG2 4.34Å; L257-I269 HydrophobicContact CG-CD1 4.43Å; I267-I269 HydrophobicContact CG2-CG1 4.34Å
270I98.9Very high97.5Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-124.8168.9175.472.1170.7000110.1T61 F63 I107 L229 L230 D231 I232 R268T61-I270 VanDerWaalsContact O-CA 3.24Å; T61-I270 WeakPolarHBondContact O-CA 3.39Å; T61-I270 WeakPolarHBondContact O-CB 3.5Å; F63-I270 HydrophobicContact CD2-CB 3.9Å; F63-I270 HydrophobicContact CD2-CD1 4.18Å; F63-I270 HydrophobicContact CD2-CG2 4.06Å; F63-I270 HydrophobicContact CE2-CB 4.03Å; F63-I270 HydrophobicContact CE2-CD1 4.28Å; F63-I270 HydrophobicContact CE2-CG2 3.65Å; F63-I270 HydrophobicContact CG-CD1 4.44Å; F63-I270 HydrophobicContact CZ-CG2 4.48Å; I107-I270 HydrophobicContact CD1-CD1 3.97Å; L229-I270 HydrophobicContact CD1-CD1 4.18Å; L229-I270 HydrophobicContact CD1-CG1 4.14Å; L229-I270 HydrophobicContact CD1-CG2 3.87Å; L229-I270 HydrophobicContact CD2-CD1 4.35Å; L230-I270 PolarHBondContact O-N 3.49Å; D231-I270 WeakPolarHBondContact CA-O 3.47Å; D231-I270 HydrophobicContact CB-CD1 4.03Å; D231-I270 HydrophobicContact CB-CG1 3.59Å; I232-I270 WeakPolarHBondContact CG1-O 3.44Å; I232-I270 PolarHBondContact N-O 2.85Å; R268-I270 HydrophobicContact CG-CG2 4.21Å
271A98.8Very high97.5Very high0 Ų029.5 Ų29.50%018%0.183CC..EExtended strand (participates in β ladder)trans-144.5165.8171.300000110.1W53 V60 T61 F63 I232 G233 F236 P273W53-A271 HydrophobicContact CH2-CB 3.57Å; W53-A271 HydrophobicContact CZ2-CB 3.56Å; V60-A271 HydrophobicContact CG1-CB 3.67Å; T61-A271 PolarHBondContact O-N 2.84Å; T61-A271 VanDerWaalsContact O-N 3.11Å; F63-A271 WeakPolarHBondContact CA-O 3.5Å; F63-A271 WeakPolarHBondContact CB-O 3.42Å; F63-A271 PolarHBondContact N-O 3.19Å; I232-A271 HydrophobicContact CD1-CB 4.13Å; I232-A271 HydrophobicContact CG1-CB 3.56Å; G233-A271 WeakPolarHBondContact O-CB 3.06Å; F236-A271 HydrophobicContact CE2-CB 4.31Å; A271-P273 WeakPolarHBondContact O-CD 3.39Å
272E98.7Very high97.5Very high11 Ų1129.5 Ų29.55%0.05118%0.183CC..  trans-115.453.4-177.1-57175.3159.600113.3F63 D86 A109 D231 G233 G234 G274F63-E272 CarbonylContact O-C 3.56Å; F63-E272 VanDerWaalsContact O-CA 3.24Å; F63-E272 WeakPolarHBondContact O-CA 3.4Å; D86-E272 HydrophobicContact CB-CB 4.32Å; D86-E272 HydrophobicContact CB-CG 4.13Å; A109-E272 WeakPolarHBondContact CB-OE1 3.01Å; D231-E272 VanDerWaalsContact OD2-OE1 3.09Å; G233-E272 PolarHBondContact O-N 3.34Å; G234-E272 WeakPolarHBondContact CA-O 3.41Å; E272-G274 PolarHBondContact O-N 3.05Å
273P98.3Very high97.5Very high1 Ų128.3 Ų28.31%0.00618%0.175CC..  trans-68.2118.2-17929.4-36.7000112.1W53 P62 F63 Y64 A65 F236 A271 Y276 Y277W53-P273 HydrophobicContact CE3-CB 4.36Å; W53-P273 HydrophobicContact CE3-CG 4.29Å; W53-P273 HydrophobicContact CH2-CB 3.97Å; W53-P273 HydrophobicContact CH2-CG 3.72Å; W53-P273 HydrophobicContact CZ2-CG 4.26Å; W53-P273 HydrophobicContact CZ3-CB 3.64Å; W53-P273 HydrophobicContact CZ3-CG 3.74Å; P62-P273 HydrophobicContact CB-CG 3.88Å; F63-P273 WeakPolarHBondContact O-CD 3.38Å; Y64-P273 WeakPolarHBondContact CA-O 3.39Å; Y64-P273 WeakPolarHBondContact CD2-O 3.48Å; A65-P273 PolarHBondContact N-O 3.07Å; F236-P273 HydrophobicContact CD2-CB 4.15Å; A271-P273 WeakPolarHBondContact O-CD 3.39Å; P273-Y276 HydrophobicContact CB-CD1 4.47Å; P273-Y277 HydrophobicContact CB-CD2 4.05Å; P273-Y277 HydrophobicContact CB-CE2 4.08Å; P273-Y277 HydrophobicContact CG-CD2 3.96Å; P273-Y277 HydrophobicContact CG-CE2 3.56Å
274G97.9Very high97.8Very high6 Ų624.5 Ų24.56%0.06214%0.144CC..SBendtrans-96.6-81.8167.100000111.6E272 Y276 Y277E272-G274 PolarHBondContact O-N 3.05Å; G274-Y276 PolarHBondContact O-N 2.98Å; G274-Y276 VanDerWaalsContact O-N 3.11Å; G274-Y277 PolarHBondContact O-N 2.98Å; G274-Y277 VanDerWaalsContact O-N 3.09Å
275R97.6Very high98Very high41 Ų4117.8 Ų17.816%0.15511%0.108CC..Hα-helixtrans-47.6-42.7-175.9174.1-172.7-40.4-68.4-5.1114.1C68 S198 Y277 V278 A279 D331 A387 Y388C68-R275 VanDerWaalsContact SG-CA 3.59Å; C68-R275 PolarHBondContact SG-N 3.06Å; S198-R275 PolarHBondContact OG-NE 2.85Å; S198-R275 PolarHBondContact OG-NH2 3.41Å; R275-Y277 PolarHBondContact O-N 2.79Å; R275-Y277 VanDerWaalsContact O-N 3.13Å; R275-V278 PolarHBondContact O-N 3.02Å; R275-V278 VanDerWaalsContact O-N 3.13Å; R275-A279 HydrophobicContact CG-CB 3.95Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.15Å; R275-D331 IonicContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 2.66Å; R275-D331 VanDerWaalsContact CZ-OD2 3.25Å; R275-D331 IonicContact NH1-OD1 2.72Å; R275-D331 IonicContact NH1-OD2 3.51Å; R275-D331 PolarHBondContact NH1-OD2 3.24Å; R275-D331 VanDerWaalsContact NH2-CG 3.27Å; R275-D331 IonicContact NH2-OD1 3.33Å; R275-D331 PolarHBondContact NH2-OD1 2.66Å; R275-D331 IonicContact NH2-OD2 2.84Å; R275-D331 PolarHBondContact NH2-OD2 2.7Å; R275-A387 HydrophobicContact CB-CB 3.97Å; R275-A387 HydrophobicContact CG-CB 3.87Å; R275-Y388 HydrophobicContact CB-CE2 4.35Å
276Y98.3Very high98.2Very high1 Ų115.4 Ų15.40%0.0049%0.091CC..Hα-helixtrans-44.1-46.5179.2175.8-100.2000113K49 R52 W53 F236 P237 F246 P273 G274K49-Y276 HydrophobicContact CB-CD1 4.35Å; K49-Y276 HydrophobicContact CB-CE1 3.8Å; K49-Y276 HydrophobicContact CD-CE1 4.36Å; K49-Y276 HydrophobicContact CD-CE2 4.31Å; K49-Y276 WeakPolarHBondContact CD-O 3.46Å; K49-Y276 PolarHBondContact NZ-O 2.91Å; K49-Y276 WeakPolarHBondContact O-CE1 3.16Å; K49-Y276 PolarHBondContact O-OH 2.9Å; R52-Y276 WeakPolarHBondContact CB-OH 3.41Å; W53-Y276 HydrophobicContact CB-CE1 3.96Å; W53-Y276 HydrophobicContact CD2-CE1 4.47Å; W53-Y276 AromaticContact CE3-CD1 3.86Å; W53-Y276 HydrophobicContact CE3-CD1 3.86Å; W53-Y276 AromaticContact CE3-CE1 3.71Å; W53-Y276 HydrophobicContact CE3-CE1 3.71Å; W53-Y276 HydrophobicContact CE3-CG 4.4Å; W53-Y276 HydrophobicContact CZ3-CD1 4.39Å; W53-Y276 PolarHBondContact N-OH 3.29Å; F236-Y276 HydrophobicContact CB-CD2 4.17Å; F236-Y276 HydrophobicContact CB-CG 4.41Å; P237-Y276 WeakPolarHBondContact O-CD2 3.48Å; F246-Y276 HydrophobicContact CB-CE2 4.27Å; F246-Y276 AromaticContact CD1-CE2 3.73Å; F246-Y276 HydrophobicContact CD1-CE2 3.73Å; F246-Y276 AromaticContact CD2-CD2 3.81Å; F246-Y276 HydrophobicContact CD2-CD2 3.81Å; F246-Y276 AromaticContact CD2-CE2 3.47Å; F246-Y276 HydrophobicContact CD2-CE2 3.47Å; F246-Y276 VanDerWaalsContact CD2-CE2 3.47Å; F246-Y276 AromaticContact CE1-CE2 3.8Å; F246-Y276 HydrophobicContact CE1-CE2 3.8Å; F246-Y276 AromaticContact CE1-CZ 3.86Å; F246-Y276 VanDerWaalsContact CE1-OH 3.28Å; F246-Y276 WeakPolarHBondContact CE1-OH 3.33Å; F246-Y276 AromaticContact CE2-CD2 3.98Å; F246-Y276 HydrophobicContact CE2-CD2 3.98Å; F246-Y276 AromaticContact CE2-CE2 3.54Å; F246-Y276 HydrophobicContact CE2-CE2 3.54Å; F246-Y276 HydrophobicContact CG-CD2 4.23Å; F246-Y276 AromaticContact CG-CE2 3.55Å; F246-Y276 HydrophobicContact CG-CE2 3.55Å; F246-Y276 AromaticContact CZ-CE2 3.7Å; F246-Y276 HydrophobicContact CZ-CE2 3.7Å; F246-Y276 AromaticContact CZ-CZ 3.76Å; P273-Y276 HydrophobicContact CB-CD1 4.47Å; G274-Y276 PolarHBondContact O-N 2.98Å; G274-Y276 VanDerWaalsContact O-N 3.11Å
277Y98.8Very high98.4Very high0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-75.7-31.1-173.5-88.2-70.9000114.1V46 K49 H50 P62 Y64 L78 P273 G274 R275V46-Y277 HydrophobicContact CG1-CD1 4.2Å; K49-Y277 HydrophobicContact CB-CD1 4.01Å; K49-Y277 HydrophobicContact CB-CE1 4.36Å; H50-Y277 HydrophobicContact CB-CE1 3.86Å; H50-Y277 AromaticContact ND1-CE1 3.74Å; H50-Y277 AromaticContact ND1-CZ 3.7Å; H50-Y277 PolarHBondContact ND1-OH 3.46Å; P62-Y277 HydrophobicContact CB-CE2 4.01Å; P62-Y277 WeakPolarHBondContact CB-OH 3.41Å; P62-Y277 VanDerWaalsContact CG-OH 3.25Å; P62-Y277 WeakPolarHBondContact CG-OH 3.25Å; Y64-Y277 AromaticContact CD2-CD2 3.97Å; Y64-Y277 HydrophobicContact CD2-CD2 3.97Å; Y64-Y277 HydrophobicContact CD2-CG 4.3Å; L78-Y277 HydrophobicContact CD2-CD1 3.54Å; L78-Y277 HydrophobicContact CD2-CE1 3.58Å; L78-Y277 HydrophobicContact CD2-CG 4.04Å; P273-Y277 HydrophobicContact CB-CD2 4.05Å; P273-Y277 HydrophobicContact CB-CE2 4.08Å; P273-Y277 HydrophobicContact CG-CD2 3.96Å; P273-Y277 HydrophobicContact CG-CE2 3.56Å; G274-Y277 PolarHBondContact O-N 2.98Å; G274-Y277 VanDerWaalsContact O-N 3.09Å; R275-Y277 PolarHBondContact O-N 2.79Å; R275-Y277 VanDerWaalsContact O-N 3.13Å
278V98.6Very high98.4Very high0 Ų011.7 Ų11.70%06%0.057CC..Hα-helixtrans-124.6-18.1-160.3-62.50000115Y64 C68 N69 V74 R275 S280 A281 Y282 G386 A387Y64-V278 HydrophobicContact CE2-CG1 3.98Å; C68-V278 VanDerWaalsContact SG-CG2 3.58Å; N69-V278 HydrophobicContact CB-CG2 4.08Å; V74-V278 HydrophobicContact CG1-CG1 3.66Å; R275-V278 PolarHBondContact O-N 3.02Å; R275-V278 VanDerWaalsContact O-N 3.13Å; V278-S280 PolarHBondContact O-N 2.85Å; V278-A281 WeakPolarHBondContact O-CB 3.36Å; V278-A281 PolarHBondContact O-N 3.35Å; V278-Y282 WeakPolarHBondContact O-CD2 3.35Å; V278-G386 WeakPolarHBondContact CG2-O 3.12Å; V278-G386 WeakPolarHBondContact O-CA 3.32Å; V278-A387 HydrophobicContact CG2-CB 4.22Å
279A98.1Very high98.4Very high5 Ų510.2 Ų10.24%0.0416%0.057CC..G310 helixtrans-56.6-60.1-172.200000112.6R275 A281 N384 M385 G386 A387R275-A279 HydrophobicContact CG-CB 3.95Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.15Å; A279-A281 PolarHBondContact O-N 3.16Å; A279-N384 CarbonylContact O-C 3.56Å; A279-N384 WeakPolarHBondContact O-CA 3.35Å; A279-M385 PolarHBondContact O-N 2.82Å; A279-G386 PolarHBondContact O-N 2.85Å; A279-G386 VanDerWaalsContact O-N 3.11Å; A279-A387 HydrophobicContact CB-CB 3.98Å
280S98.2Very high98.3Very high34 Ų3412 Ų1224%0.2387%0.072CC..G310 helixtrans-71-10.2179.355.70000115D45 K49 G238 V278 Y282 N384D45-S280 PolarHBondContact OD2-OG 2.88Å; K49-S280 PolarHBondContact NZ-OG 3.31Å; G238-S280 PolarHBondContact O-N 3.41Å; G238-S280 PolarHBondContact O-OG 2.89Å; V278-S280 PolarHBondContact O-N 2.85Å; S280-Y282 PolarHBondContact O-N 3.32Å; S280-N384 WeakPolarHBondContact CA-OD1 3.48Å; S280-N384 WeakPolarHBondContact CB-OD1 3.34Å
281A98.3Very high98.3Very high3 Ų314.4 Ų14.43%0.0258%0.083CC..G310 helixtrans-74.7-13.3-179.300000112.4C41 D42 D45 V46 V278 A279C41-A281 CarbonylContact C-O 3.53Å; C41-A281 WeakPolarHBondContact CA-O 3.28Å; D42-A281 PolarHBondContact N-O 2.82Å; D45-A281 HydrophobicContact CB-CB 4.07Å; D45-A281 PolarHBondContact OD2-N 3.04Å; V46-A281 HydrophobicContact CG2-CB 4.09Å; V278-A281 WeakPolarHBondContact O-CB 3.36Å; V278-A281 PolarHBondContact O-N 3.35Å; A279-A281 PolarHBondContact O-N 3.16Å
282Y98.6Very high98.2Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-120.5130.3-175.6-73-111.5000111.6Y39 V40 C41 N69 S71 V74 V278 S280 N384 M385 G386 I404Y39-Y282 AromaticContact CD1-CD1 3.75Å; Y39-Y282 HydrophobicContact CD1-CD1 3.75Å; Y39-Y282 HydrophobicContact CD1-CG 4.37Å; Y39-Y282 HydrophobicContact CE1-CD1 4.24Å; Y39-Y282 HydrophobicContact CG-CD1 4.14Å; V40-Y282 WeakPolarHBondContact O-CA 3.34Å; C41-Y282 HydrophobicContact CB-CD1 4.01Å; C41-Y282 HydrophobicContact CB-CD2 4.41Å; C41-Y282 HydrophobicContact CB-CE1 3.75Å; C41-Y282 HydrophobicContact CB-CE2 4.17Å; C41-Y282 HydrophobicContact CB-CG 4.32Å; C41-Y282 WeakPolarHBondContact SG-CE2 3.43Å; N69-Y282 VanDerWaalsContact ND2-CZ 3.32Å; N69-Y282 PolarHBondContact ND2-OH 3.46Å; S71-Y282 PolarHBondContact OG-OH 3.3Å; V74-Y282 HydrophobicContact CG2-CE2 4.17Å; V74-Y282 WeakPolarHBondContact CG2-OH 3.43Å; V278-Y282 WeakPolarHBondContact O-CD2 3.35Å; S280-Y282 PolarHBondContact O-N 3.32Å; Y282-N384 PolarHBondContact O-N 2.74Å; Y282-M385 PolarHBondContact O-N 2.82Å; Y282-G386 VanDerWaalsContact CB-CA 3.46Å; Y282-I404 HydrophobicContact CE1-CD1 4.3Å; Y282-I404 HydrophobicContact CE1-CG2 3.87Å
283T98.4Very high98.1Very high25 Ų2522.7 Ų22.715%0.15312%0.124CC..EExtended strand (participates in β ladder)trans-117.1126.1166.8-60.70000108.9V22 Y39 V40 L381 E383V22-T283 HydrophobicContact CG2-CG2 4.39Å; Y39-T283 WeakPolarHBondContact CA-O 3.37Å; V40-T283 PolarHBondContact N-O 3.34Å; V40-T283 PolarHBondContact O-N 3.34Å; T283-L381 HydrophobicContact CG2-CB 4.44Å; T283-E383 HydrophobicContact CG2-CG 4.19Å
284L98.7Very high97.8Very high0 Ų026.3 Ų26.30%014%0.143CC..EExtended strand (participates in β ladder)trans-93.5129.8175.3175.161000109.6A37 Y39 V286 F325 L381 F382 M385 P402A37-L284 HydrophobicContact CB-CD1 4.47Å; Y39-L284 HydrophobicContact CD1-CB 3.95Å; Y39-L284 HydrophobicContact CD1-CD1 4.43Å; Y39-L284 HydrophobicContact CD2-CD1 4.03Å; Y39-L284 HydrophobicContact CE1-CB 3.53Å; Y39-L284 HydrophobicContact CE1-CD1 4.22Å; Y39-L284 HydrophobicContact CE1-CG 4.33Å; Y39-L284 HydrophobicContact CE2-CD1 3.73Å; Y39-L284 HydrophobicContact CG-CD1 4.36Å; L284-V286 HydrophobicContact CD1-CG1 4.13Å; L284-V286 HydrophobicContact CD2-CG1 3.92Å; L284-V286 HydrophobicContact CG-CG1 3.81Å; L284-F325 HydrophobicContact CD2-CE1 4.5Å; L284-F325 HydrophobicContact CD2-CE2 3.7Å; L284-F325 HydrophobicContact CD2-CZ 3.67Å; L284-L381 CarbonylContact O-C 3.58Å; L284-L381 WeakPolarHBondContact O-CA 3.35Å; L284-F382 HydrophobicContact CB-CB 4.3Å; L284-F382 PolarHBondContact N-O 3.3Å; L284-F382 PolarHBondContact O-N 3.3Å; L284-M385 HydrophobicContact CB-CB 4.16Å; L284-M385 HydrophobicContact CB-CG 4.28Å; L284-M385 HydrophobicContact CD2-CE 3.95Å; L284-P402 HydrophobicContact CD1-CB 4.31Å; L284-P402 HydrophobicContact CD1-CG 4.13Å
285A98.4Very high97.4Very high1 Ų131.8 Ų31.81%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-107.4126.3168.100000109.3A37 F38 W379 L380 L381A37-A285 VanDerWaalsContact CA-O 3.26Å; A37-A285 WeakPolarHBondContact CA-O 3.48Å; A37-A285 WeakPolarHBondContact CB-O 3.48Å; F38-A285 HydrophobicContact CD1-CB 4.11Å; F38-A285 HydrophobicContact CD2-CB 4.45Å; F38-A285 HydrophobicContact CE1-CB 3.71Å; F38-A285 HydrophobicContact CE2-CB 4.08Å; F38-A285 HydrophobicContact CG-CB 4.47Å; F38-A285 HydrophobicContact CZ-CB 3.7Å; F38-A285 PolarHBondContact N-O 3.28Å; F38-A285 PolarHBondContact O-N 3.39Å; A285-W379 HydrophobicContact CB-CE3 3.86Å; A285-W379 HydrophobicContact CB-CZ3 4.12Å; A285-L380 WeakPolarHBondContact CA-O 3.44Å; A285-L381 HydrophobicContact CB-CD2 3.59Å
286V98.4Very high96.1Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-121.1145.9175.5-57.60000110.6A37 L284 V317 D319 F325 W379 L380 F382A37-V286 HydrophobicContact CB-CG1 4.19Å; L284-V286 HydrophobicContact CD1-CG1 4.13Å; L284-V286 HydrophobicContact CD2-CG1 3.92Å; L284-V286 HydrophobicContact CG-CG1 3.81Å; V286-V317 HydrophobicContact CB-CB 4.04Å; V286-V317 HydrophobicContact CB-CG2 4.26Å; V286-V317 HydrophobicContact CG2-CB 3.8Å; V286-V317 HydrophobicContact CG2-CG1 3.9Å; V286-V317 HydrophobicContact CG2-CG2 3.93Å; V286-D319 HydrophobicContact CG1-CB 3.97Å; V286-F325 HydrophobicContact CG1-CE2 4.2Å; V286-F325 HydrophobicContact CG1-CZ 4.44Å; V286-W379 VanDerWaalsContact C-CE3 3.49Å; V286-W379 WeakPolarHBondContact O-CA 3.38Å; V286-L380 HydrophobicContact CG2-CB 3.86Å; V286-L380 PolarHBondContact N-O 2.8Å; V286-L380 PolarHBondContact O-N 2.83Å; V286-F382 HydrophobicContact CG2-CD2 4.18Å; V286-F382 HydrophobicContact CG2-CE2 3.69Å
287N97.9Very high94.5Very high8 Ų842.6 Ų42.64%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-96.8138.6-180-165.5-101.1000111K35 I289 V317 N318 G377 E378 W379K35-N287 HydrophobicContact CB-CB 4.23Å; K35-N287 WeakPolarHBondContact O-CB 3.37Å; N287-I289 PolarHBondContact O-N 3.27Å; N287-V317 WeakPolarHBondContact O-CA 3.11Å; N287-V317 WeakPolarHBondContact O-CB 3.31Å; N287-N318 PolarHBondContact N-OD1 2.92Å; N287-N318 PolarHBondContact O-N 3.03Å; N287-N318 PolarHBondContact O-OD1 3.41Å; N287-G377 VanDerWaalsContact ND2-C 3.26Å; N287-G377 PolarHBondContact ND2-O 2.9Å; N287-G377 WeakPolarHBondContact OD1-CA 3.32Å; N287-E378 PolarHBondContact ND2-O 2.89Å; N287-W379 HydrophobicContact CB-CD2 4.39Å; N287-W379 HydrophobicContact CB-CE3 4.19Å; N287-W379 HydrophobicContact CB-CH2 4.25Å; N287-W379 HydrophobicContact CB-CZ2 4.43Å; N287-W379 HydrophobicContact CB-CZ3 4.11Å
288V97.8Very high92.4Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-73.7106.2170.3179.90000108.7Y315 Y316 V317 M374 V376 G377 E378 L380V288-Y315 HydrophobicContact CG1-CD1 4.03Å; V288-Y316 CarbonylContact C-O 3.49Å; V288-V317 HydrophobicContact CG2-CG1 4.37Å; V288-M374 HydrophobicContact CG2-CE 4.22Å; V288-V376 CarbonylContact O-C 3.56Å; V288-V376 VanDerWaalsContact O-CA 3.29Å; V288-V376 WeakPolarHBondContact O-CA 3.4Å; V288-V376 WeakPolarHBondContact O-CG1 3.44Å; V288-G377 PolarHBondContact O-N 2.75Å; V288-E378 PolarHBondContact N-O 2.91Å; V288-L380 HydrophobicContact CG2-CD1 4.48Å
289I98.1Very high90Very high75 Ų7553.9 Ų53.939%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-94.6-23.3-176.756.9169.6000113.4N287 Y316 N318 P357N287-I289 PolarHBondContact O-N 3.27Å; I289-Y316 VanDerWaalsContact CG1-O 3.24Å; I289-Y316 WeakPolarHBondContact CG1-O 3.31Å; I289-Y316 PolarHBondContact N-O 2.98Å; I289-N318 HydrophobicContact CD1-CB 4.33Å; I289-N318 HydrophobicContact CG2-CB 3.85Å; I289-P357 HydrophobicContact CD1-CB 4.17Å
290A98.4Very high87.5Confident42 Ų4258.4 Ų58.435%0.34732%0.318SS..EExtended strand (participates in β ladder)trans-151.2158.8173.300000111.6Y316A290-Y316 HydrophobicContact CB-CD2 4.07Å; A290-Y316 HydrophobicContact CB-CG 4.24Å; A290-Y316 PolarHBondContact N-O 3.38Å; A290-Y316 PolarHBondContact O-N 3.3Å
291K98.2Very high85.2Confident50 Ų5061.3 Ų61.322%0.21734%0.338CS..EExtended strand (participates in β ladder)trans-142.4140.7-177.8178.1-176.8177.7179.80110.6M314 Y315 D373 M374 Q375 V376K291-M314 CarbonylContact C-O 3.52Å; K291-M314 VanDerWaalsContact CA-O 3.27Å; K291-M314 WeakPolarHBondContact CA-O 3.37Å; K291-Y315 HydrophobicContact CB-CD1 4.38Å; K291-Y315 HydrophobicContact CD-CD1 4.45Å; K291-Y315 HydrophobicContact CD-CE1 3.94Å; K291-Y315 HydrophobicContact CG-CD1 4.06Å; K291-Y315 HydrophobicContact CG-CE1 3.94Å; K291-D373 VanDerWaalsContact CE-OD1 3.23Å; K291-D373 WeakPolarHBondContact CE-OD1 3.5Å; K291-D373 IonicContact NZ-OD1 2.72Å; K291-D373 PolarHBondContact NZ-OD1 2.81Å; K291-M374 VanDerWaalsContact CD-O 3.32Å; K291-M374 WeakPolarHBondContact CD-O 3.4Å; K291-M374 VanDerWaalsContact CE-O 3.31Å; K291-M374 WeakPolarHBondContact CE-O 3.47Å; K291-M374 PolarHBondContact NZ-O 3.32Å; K291-Q375 VanDerWaalsContact NZ-NE2 3.17Å; K291-V376 HydrophobicContact CB-CG2 4.29Å
292K97.3Very high83Confident117 Ų11769 Ų6951%0.50938%0.378SS..EExtended strand (participates in β ladder)trans-126.8146168.1-62177.3-177.1165.50110.2M314 Y316K292-M314 HydrophobicContact CB-CB 4.2Å; K292-M314 HydrophobicContact CB-CG 4.49Å; K292-M314 HydrophobicContact CB-SD 4.31Å; K292-M314 HydrophobicContact CD-SD 4.26Å; K292-M314 PolarHBondContact N-O 3.27Å; K292-M314 PolarHBondContact O-N 3.19Å; K292-Y316 HydrophobicContact CD-CE2 4.02Å; K292-Y316 WeakPolarHBondContact CE-OH 3.35Å; K292-Y316 HydrophobicContact CG-CE2 4.09Å; K292-Y316 PolarHBondContact NZ-OH 3.41Å
293V96.1Very high80.7Confident67 Ų6777.5 Ų77.541%0.40642%0.418SS..EExtended strand (participates in β ladder)trans-112.9121.9173.4-173.60000107.2M295 R311 L313V293-M295 HydrophobicContact CG1-CE 3.65Å; V293-M295 HydrophobicContact CG1-SD 4.46Å; V293-R311 HydrophobicContact CG1-CB 4.03Å; V293-R311 HydrophobicContact CG1-CG 4.41Å; V293-L313 HydrophobicContact CB-CD2 4.25Å; V293-L313 HydrophobicContact CG1-CD2 3.99Å; V293-L313 HydrophobicContact CG2-CD2 3.84Å
294I92.6Very high78.5Confident78 Ų7883.2 Ų83.240%0.445%0.448SS..EExtended strand (participates in β ladder)trans-104.5125.8175.7-58.4-178.1000107.4R311 T312 M314I294-R311 CarbonylContact O-C 3.3Å; I294-R311 WeakPolarHBondContact O-CA 3.35Å; I294-R311 WeakPolarHBondContact O-CB 3.06Å; I294-T312 PolarHBondContact N-O 3.48Å; I294-T312 PolarHBondContact O-N 3.06Å; I294-M314 HydrophobicContact CD1-CG 4Å; I294-M314 HydrophobicContact CD1-SD 3.62Å; I294-M314 HydrophobicContact CG1-CG 4.47Å; I294-M314 HydrophobicContact CG1-SD 4.29Å
295M87.7Confident75.9Confident120 Ų12090.6 Ų90.659%0.59149%0.487SS*.EExtended strand (participates in β ladder)trans-93.5136.2172.5-61.2-63.4172.700109.3V293 E297 D310 R311V293-M295 HydrophobicContact CG1-CE 3.65Å; V293-M295 HydrophobicContact CG1-SD 4.46Å; M295-E297 PolarHBondContact O-N 2.69Å; M295-D310 CarbonylContact C-O 3.58Å; M295-D310 WeakPolarHBondContact CA-O 3.24Å; M295-R311 HydrophobicContact CE-CB 4.32Å; M295-R311 HydrophobicContact SD-CB 3.71Å
296N72.2Confident73.5Confident74 Ų7495.8 Ų95.840%0.39652%0.515SS..  trans-76.6119173.9-74.2-17.5000108.8Q298 D310N296-Q298 PolarHBondContact O-N 2.65Å; N296-D310 HydrophobicContact CB-CB 4.37Å; N296-D310 PolarHBondContact N-O 3.44Å
297E62.8Low71Confident195 Ų195105.2 Ų105.291%0.91155%0.551SS**THydrogen-bonded Turntrans-77.14.3-175.2-63.6-178.8163.900114.2M295M295-E297 PolarHBondContact O-N 2.69Å
298Q55.4Low68.7Low194 Ų194107.5 Ų107.591%0.90757%0.565SS**THydrogen-bonded Turntrans-101.80.1-168.4-79.6173-1.900116.1N296N296-Q298 PolarHBondContact O-N 2.65Å
299S48.8Very low66.7Low44 Ų44111.6 Ų111.631%0.30859%0.593SS.*  trans-105.227.3-176.2590000114.4S301 D310S299-S301 PolarHBondContact O-N 3.5Å; S299-D310 WeakPolarHBondContact CB-OD1 3.45Å; S299-D310 WeakPolarHBondContact CB-OD2 3.34Å; S299-D310 PolarHBondContact OG-OD1 2.88Å; S299-D310 PolarHBondContact OG-OD2 3.2Å
300A46.1Very low65.4Low100 Ų100109.7 Ų109.783%0.82658%0.584SS**  trans-78.652170.600000111.9
301S50Low64.8Low94 Ų94110.4 Ų110.466%0.65758%0.578SS**  trans-113115.9166.756.70000109.1S299 E303S299-S301 PolarHBondContact O-N 3.5Å; S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 3.44Å
302D51.3Low64.6Low165 Ų165110.1 Ų110.188%0.88258%0.58SS**  trans-68.164.1-174.3-64.3-43.9000113.8
303E51Low64.5Low179 Ų179104.5 Ų104.584%0.83656%0.556SS**  trans-135.2114.2164.8-67.7-169.7-177.500110.8S301S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 3.44Å
304D51Low64.6Low145 Ų145102.6 Ų102.678%0.77554%0.543SS*.  trans-46.2129.9171.4-59.7-55.5000110.7
305D43.8Very low64.9Low154 Ų15498.9 Ų98.982%0.82452%0.524SS*.SBend-175.632.473.6-150.47.6000113.3
306D48.8Very low65.4Low111 Ų11195.4 Ų95.459%0.59450%0.504SS*.  trans-146.963.4170.4-158.410.4000113.3V308 R348D306-V308 PolarHBondContact O-N 3.33Å; D306-R348 IonicContact OD1-NH2 2.72Å
307W46.1Very low66.7Low198 Ų19891.9 Ų91.975%0.7549%0.485SS*.THydrogen-bonded Turntrans-57.87.4178.2-9283.3000116.6
308V49.8Very low68.4Low56 Ų5683.9 Ų83.934%0.33945%0.449SS..THydrogen-bonded Turntrans-125.74-154.4-157.80000112.8D306 D310 R348D306-V308 PolarHBondContact O-N 3.33Å; V308-D310 VanDerWaalsContact C-N 3.32Å; V308-R348 PolarHBondContact O-NH2 2.91Å
309S55.3Low70.4Confident85 Ų8575.1 Ų75.159%0.59441%0.408SS*.SBendtrans-85.3-1.7167.6-164.10000113.4R311S309-R311 PolarHBondContact O-N 3.33Å
310D71.7Confident72.8Confident36 Ų3673.1 Ų73.119%0.19340%0.395CS..  trans-92.810.9-165.8-78.2-35.1000116.3M295 N296 S299 V308M295-D310 CarbonylContact C-O 3.58Å; M295-D310 WeakPolarHBondContact CA-O 3.24Å; N296-D310 HydrophobicContact CB-CB 4.37Å; N296-D310 PolarHBondContact N-O 3.44Å; S299-D310 WeakPolarHBondContact CB-OD1 3.45Å; S299-D310 WeakPolarHBondContact CB-OD2 3.34Å; S299-D310 PolarHBondContact OG-OD1 2.88Å; S299-D310 PolarHBondContact OG-OD2 3.2Å; V308-D310 VanDerWaalsContact C-N 3.32Å
311R85.6Confident75.3Confident57 Ų5768.7 Ų68.722%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-127.3134.4178.574.5-175.4-173.4162.36.1114.2V293 I294 M295 S309 Y350 D373V293-R311 HydrophobicContact CG1-CB 4.03Å; V293-R311 HydrophobicContact CG1-CG 4.41Å; I294-R311 CarbonylContact O-C 3.3Å; I294-R311 WeakPolarHBondContact O-CA 3.35Å; I294-R311 WeakPolarHBondContact O-CB 3.06Å; M295-R311 HydrophobicContact CE-CB 4.32Å; M295-R311 HydrophobicContact SD-CB 3.71Å; S309-R311 PolarHBondContact O-N 3.33Å; R311-Y350 HydrophobicContact CG-CD1 3.91Å; R311-Y350 HydrophobicContact CG-CE1 4.02Å; R311-Y350 VanDerWaalsContact NE-CE1 3.26Å; R311-Y350 PolarHBondContact NH2-OH 3.02Å; R311-D373 IonicContact CZ-OD2 3.97Å; R311-D373 IonicContact NH1-OD2 3.79Å; R311-D373 IonicContact NH2-OD2 3.94Å; R311-D373 PolarHBondContact NH2-OD2 2.89Å
312T92.4Very high77.6Confident43 Ų4367.8 Ų67.826%0.26434%0.34SS..EExtended strand (participates in β ladder)trans-106.8140.6170.9-55.50000108.8I294 P351I294-T312 PolarHBondContact N-O 3.48Å; I294-T312 PolarHBondContact O-N 3.06Å; T312-P351 WeakPolarHBondContact CA-O 3.26Å; T312-P351 WeakPolarHBondContact CG2-O 3.45Å
313L96.4Very high79.9Confident0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-105.2144.2-179-54.5175.9000110.8V293 Y315 Y350 P351 C352 S353 D373V293-L313 HydrophobicContact CB-CD2 4.25Å; V293-L313 HydrophobicContact CG1-CD2 3.99Å; V293-L313 HydrophobicContact CG2-CD2 3.84Å; L313-Y315 HydrophobicContact CB-CE2 4.13Å; L313-Y315 WeakPolarHBondContact CD1-OH 3.35Å; L313-Y350 HydrophobicContact CD1-CD2 3.99Å; L313-Y350 HydrophobicContact CD1-CG 3.89Å; L313-Y350 HydrophobicContact CG-CG 4.49Å; L313-P351 PolarHBondContact N-O 3.37Å; L313-C352 HydrophobicContact CB-CB 3.86Å; L313-C352 CarbonylContact O-C 3.49Å; L313-C352 WeakPolarHBondContact O-CA 3.16Å; L313-C352 VanDerWaalsContact O-CB 3.26Å; L313-C352 WeakPolarHBondContact O-CB 3.41Å; L313-S353 PolarHBondContact O-N 3.44Å; L313-D373 HydrophobicContact CD1-CB 4.41Å
314M97.9Very high82.1Confident27 Ų2752 Ų5213%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-120.6123.8169.2-52.1176.377.500108.7K291 K292 I294 Y316 W355K291-M314 CarbonylContact C-O 3.52Å; K291-M314 VanDerWaalsContact CA-O 3.27Å; K291-M314 WeakPolarHBondContact CA-O 3.37Å; K292-M314 HydrophobicContact CB-CB 4.2Å; K292-M314 HydrophobicContact CB-CG 4.49Å; K292-M314 HydrophobicContact CB-SD 4.31Å; K292-M314 HydrophobicContact CD-SD 4.26Å; K292-M314 PolarHBondContact N-O 3.27Å; K292-M314 PolarHBondContact O-N 3.19Å; I294-M314 HydrophobicContact CD1-CG 4Å; I294-M314 HydrophobicContact CD1-SD 3.62Å; I294-M314 HydrophobicContact CG1-CG 4.47Å; I294-M314 HydrophobicContact CG1-SD 4.29Å; M314-Y316 HydrophobicContact CB-CE2 4.08Å; M314-W355 HydrophobicContact CE-CD2 4.32Å; M314-W355 VanDerWaalsContact CE-CE2 3.41Å; M314-W355 HydrophobicContact CE-CZ2 3.54Å; M314-W355 VanDerWaalsContact CE-NE1 3.26Å
315Y98.6Very high84.4Confident0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-108.5134.7174.7-58.1-62.8000109.9V288 K291 L313 C352 S353 I354 W355 L371 P372 M374V288-Y315 HydrophobicContact CG1-CD1 4.03Å; K291-Y315 HydrophobicContact CB-CD1 4.38Å; K291-Y315 HydrophobicContact CD-CD1 4.45Å; K291-Y315 HydrophobicContact CD-CE1 3.94Å; K291-Y315 HydrophobicContact CG-CD1 4.06Å; K291-Y315 HydrophobicContact CG-CE1 3.94Å; L313-Y315 HydrophobicContact CB-CE2 4.13Å; L313-Y315 WeakPolarHBondContact CD1-OH 3.35Å; Y315-C352 HydrophobicContact CD2-CB 4.15Å; Y315-C352 HydrophobicContact CE2-CB 3.84Å; Y315-S353 PolarHBondContact N-O 2.95Å; Y315-I354 CarbonylContact O-C 3.6Å; Y315-I354 WeakPolarHBondContact O-CA 3.44Å; Y315-W355 PolarHBondContact O-N 3.41Å; Y315-L371 HydrophobicContact CD2-CD1 4.28Å; Y315-L371 HydrophobicContact CE2-CB 4.36Å; Y315-L371 HydrophobicContact CE2-CD1 4.22Å; Y315-P372 PolarHBondContact OH-O 3.34Å; Y315-M374 HydrophobicContact CD1-CB 4.47Å; Y315-M374 HydrophobicContact CE1-CB 3.77Å; Y315-M374 PolarHBondContact OH-N 3.02Å
316Y98.8Very high87Confident47 Ų4737.8 Ų37.818%0.18419%0.188CC..EExtended strand (participates in β ladder)trans-110.9129173.8-60.6-104.9000107.2V288 I289 A290 K292 M314 W355V288-Y316 CarbonylContact C-O 3.49Å; I289-Y316 VanDerWaalsContact CG1-O 3.24Å; I289-Y316 WeakPolarHBondContact CG1-O 3.31Å; I289-Y316 PolarHBondContact N-O 2.98Å; A290-Y316 HydrophobicContact CB-CD2 4.07Å; A290-Y316 HydrophobicContact CB-CG 4.24Å; A290-Y316 PolarHBondContact N-O 3.38Å; A290-Y316 PolarHBondContact O-N 3.3Å; K292-Y316 HydrophobicContact CD-CE2 4.02Å; K292-Y316 WeakPolarHBondContact CE-OH 3.35Å; K292-Y316 HydrophobicContact CG-CE2 4.09Å; K292-Y316 PolarHBondContact NZ-OH 3.41Å; M314-Y316 HydrophobicContact CB-CE2 4.08Å; Y316-W355 CarbonylContact C-O 2.99Å; Y316-W355 WeakPolarHBondContact CA-O 3.26Å; Y316-W355 HydrophobicContact CD1-CB 3.71Å; Y316-W355 HydrophobicContact CD1-CG 4.36Å; Y316-W355 HydrophobicContact CE1-CB 3.98Å; Y316-W355 HydrophobicContact CE1-CG 4.19Å; Y316-W355 HydrophobicContact CG-CB 4.23Å
317V98.7Very high89.4Confident0 Ų032.6 Ų32.60%016%0.16CC..EExtended strand (participates in β ladder)trans-118.1163.6-178.9-56.60000111.1V286 N287 V288 D319 I354 W355 G356 P357 I365 L380V286-V317 HydrophobicContact CB-CB 4.04Å; V286-V317 HydrophobicContact CB-CG2 4.26Å; V286-V317 HydrophobicContact CG2-CB 3.8Å; V286-V317 HydrophobicContact CG2-CG1 3.9Å; V286-V317 HydrophobicContact CG2-CG2 3.93Å; N287-V317 WeakPolarHBondContact O-CA 3.11Å; N287-V317 WeakPolarHBondContact O-CB 3.31Å; V288-V317 HydrophobicContact CG2-CG1 4.37Å; V317-D319 VanDerWaalsContact C-N 3.31Å; V317-D319 WeakPolarHBondContact CG2-O 3.36Å; V317-D319 PolarHBondContact O-N 3.06Å; V317-I354 HydrophobicContact CG1-CG2 4.1Å; V317-I354 HydrophobicContact CG2-CG2 4.15Å; V317-W355 WeakPolarHBondContact CG2-O 3.44Å; V317-W355 PolarHBondContact N-O 3.47Å; V317-G356 CarbonylContact O-C 3.57Å; V317-P357 WeakPolarHBondContact O-CB 3.15Å; V317-P357 WeakPolarHBondContact O-CD 3.43Å; V317-I365 HydrophobicContact CG2-CD1 3.52Å; V317-L380 HydrophobicContact CG1-CD1 4.23Å
318N98.4Very high91.8Very high27 Ų2725.2 Ų25.214%0.14414%0.135CC..SBendtrans-87.516.6-17257.6-8.3000115.9K35 A37 N287 I289K35-N318 PolarHBondContact O-ND2 2.86Å; A37-N318 PolarHBondContact N-ND2 3.32Å; A37-N318 VanDerWaalsContact N-ND2 3.19Å; N287-N318 PolarHBondContact N-OD1 2.92Å; N287-N318 PolarHBondContact O-N 3.03Å; N287-N318 PolarHBondContact O-OD1 3.41Å; I289-N318 HydrophobicContact CD1-CB 4.33Å; I289-N318 HydrophobicContact CG2-CB 3.85Å
319D98.8Very high94Very high9 Ų927.3 Ų27.35%0.04814%0.144CC..  trans-143.5154166.5-166.1-2.8000108.7A37 V286 V317 G323 S324 F325 P357 I365 P402A37-D319 HydrophobicContact CB-CB 4.24Å; V286-D319 HydrophobicContact CG1-CB 3.97Å; V317-D319 VanDerWaalsContact C-N 3.31Å; V317-D319 WeakPolarHBondContact CG2-O 3.36Å; V317-D319 PolarHBondContact O-N 3.06Å; D319-G323 WeakPolarHBondContact OD1-CA 3.42Å; D319-S324 PolarHBondContact OD1-N 3.49Å; D319-S324 WeakPolarHBondContact OD2-CB 3.16Å; D319-S324 PolarHBondContact OD2-N 2.85Å; D319-S324 PolarHBondContact OD2-OG 2.89Å; D319-F325 HydrophobicContact CB-CE2 4.24Å; D319-P357 VanDerWaalsContact C-CD 3.47Å; D319-I365 WeakPolarHBondContact O-CD1 3.46Å; D319-P402 VanDerWaalsContact OD2-CG 3.25Å; D319-P402 WeakPolarHBondContact OD2-CG 3.27Å
320G98.6Very high95.9Very high3 Ų331.5 Ų31.53%0.03115%0.148CC..  trans-153.8-169.1-166.900000114.4Y322 G323 S324 F325 D363G320-Y322 PolarHBondContact O-N 3.43Å; G320-G323 CarbonylContact O-C 3.53Å; G320-G323 WeakPolarHBondContact O-CA 3.46Å; G320-G323 PolarHBondContact O-N 3.23Å; G320-S324 PolarHBondContact O-N 3.02Å; G320-F325 WeakPolarHBondContact O-CB 3.19Å; G320-F325 PolarHBondContact O-N 2.95Å; G320-D363 VanDerWaalsContact CA-OD1 3.27Å; G320-D363 WeakPolarHBondContact CA-OD1 3.49Å
321V98.6Very high97Very high7 Ų730.6 Ų30.64%0.04214%0.143CC..THydrogen-bonded Turntrans-66.7-18.1-175.2-53.20000113.2N326 L329 D363V321-N326 WeakPolarHBondContact O-CA 3.21Å; V321-N326 WeakPolarHBondContact O-CB 3.48Å; V321-N326 PolarHBondContact O-N 2.72Å; V321-L329 HydrophobicContact CB-CD1 4.1Å; V321-L329 HydrophobicContact CG2-CD1 4.22Å; V321-D363 HydrophobicContact CG2-CB 4.13Å; V321-D363 WeakPolarHBondContact CG2-OD1 3.35Å; V321-D363 PolarHBondContact N-OD1 3.04Å
322Y98.5Very high97.4Very high75 Ų7532.8 Ų32.829%0.29416%0.156SC..THydrogen-bonded Turntrans-88-18.9173.2-71.8-84.5000113.5G320 T358 D360 S394 F396G320-Y322 PolarHBondContact O-N 3.43Å; Y322-T358 HydrophobicContact CD2-CG2 3.94Å; Y322-T358 HydrophobicContact CG-CG2 4.49Å; Y322-D360 HydrophobicContact CE2-CB 3.97Å; Y322-D360 WeakPolarHBondContact CE2-OD2 3.42Å; Y322-D360 PolarHBondContact OH-OD2 2.86Å; Y322-S394 PolarHBondContact O-N 3.43Å; Y322-S394 PolarHBondContact O-OG 3.38Å; Y322-F396 HydrophobicContact CD1-CB 3.9Å; Y322-F396 AromaticContact CD1-CD1 3.76Å; Y322-F396 HydrophobicContact CD1-CD1 3.76Å; Y322-F396 AromaticContact CD1-CG 3.94Å; Y322-F396 HydrophobicContact CD1-CG 3.94Å; Y322-F396 AromaticContact CD2-CD1 3.92Å; Y322-F396 HydrophobicContact CD2-CD1 3.92Å; Y322-F396 HydrophobicContact CD2-CE1 4.44Å; Y322-F396 AromaticContact CE1-CD1 3.9Å; Y322-F396 HydrophobicContact CE1-CD1 3.9Å; Y322-F396 HydrophobicContact CE1-CE1 4.22Å; Y322-F396 HydrophobicContact CE1-CG 4.22Å; Y322-F396 HydrophobicContact CE2-CD1 4.05Å; Y322-F396 HydrophobicContact CE2-CE1 4.14Å; Y322-F396 HydrophobicContact CG-CB 4.1Å; Y322-F396 AromaticContact CG-CD1 3.77Å; Y322-F396 HydrophobicContact CG-CD1 3.77Å; Y322-F396 HydrophobicContact CG-CG 4.25Å
323G98.6Very high97.4Very high11 Ų1132 Ų3211%0.11315%0.153CC..THydrogen-bonded Turntrans-100.2-124.517400000109.9D319 G320 F325 N326 S393D319-G323 WeakPolarHBondContact OD1-CA 3.42Å; G320-G323 CarbonylContact O-C 3.53Å; G320-G323 WeakPolarHBondContact O-CA 3.46Å; G320-G323 PolarHBondContact O-N 3.23Å; G323-F325 VanDerWaalsContact C-N 3.33Å; G323-F325 PolarHBondContact O-N 2.87Å; G323-N326 WeakPolarHBondContact O-CB 3.38Å; G323-N326 PolarHBondContact O-N 3.41Å; G323-N326 PolarHBondContact O-ND2 3.46Å; G323-S393 PolarHBondContact O-OG 2.91Å
324S98.7Very high97.2Very high0 Ų040 Ų400%019%0.19CC..THydrogen-bonded Turntrans-69.1-27.4-171.7-580000114.4Y39 D319 G320 N326Y39-S324 WeakPolarHBondContact OH-CB 3.41Å; Y39-S324 PolarHBondContact OH-OG 2.8Å; Y39-S324 VanDerWaalsContact OH-OG 3.13Å; D319-S324 PolarHBondContact OD1-N 3.49Å; D319-S324 WeakPolarHBondContact OD2-CB 3.16Å; D319-S324 PolarHBondContact OD2-N 2.85Å; D319-S324 PolarHBondContact OD2-OG 2.89Å; G320-S324 PolarHBondContact O-N 3.02Å; S324-N326 PolarHBondContact O-N 2.72Å
325F98.8Very high97Very high0 Ų039.8 Ų39.80%019%0.191CC..THydrogen-bonded Turntrans-84.99.6-177.6-61.1-86.6000113.5L284 V286 D319 G320 G323 C327 I328 P335 I365 F382 M385L284-F325 HydrophobicContact CD2-CE1 4.5Å; L284-F325 HydrophobicContact CD2-CE2 3.7Å; L284-F325 HydrophobicContact CD2-CZ 3.67Å; V286-F325 HydrophobicContact CG1-CE2 4.2Å; V286-F325 HydrophobicContact CG1-CZ 4.44Å; D319-F325 HydrophobicContact CB-CE2 4.24Å; G320-F325 WeakPolarHBondContact O-CB 3.19Å; G320-F325 PolarHBondContact O-N 2.95Å; G323-F325 VanDerWaalsContact C-N 3.33Å; G323-F325 PolarHBondContact O-N 2.87Å; F325-C327 PolarHBondContact O-N 3.49Å; F325-C327 VanDerWaalsContact O-N 3.07Å; F325-I328 HydrophobicContact CB-CD1 4.1Å; F325-I328 HydrophobicContact CD1-CD1 4.29Å; F325-I328 WeakPolarHBondContact O-CB 3.15Å; F325-I328 PolarHBondContact O-N 3.43Å; F325-P335 HydrophobicContact CD1-CB 4.29Å; F325-P335 HydrophobicContact CD1-CG 4.11Å; F325-P335 HydrophobicContact CE1-CB 4.13Å; F325-P335 HydrophobicContact CE1-CG 4.44Å; F325-I365 HydrophobicContact CB-CG1 4.31Å; F325-I365 HydrophobicContact CD1-CG1 4.35Å; F325-I365 HydrophobicContact CD1-CG2 3.58Å; F325-I365 HydrophobicContact CD2-CD1 3.7Å; F325-I365 HydrophobicContact CD2-CG1 4.04Å; F325-I365 HydrophobicContact CE1-CG2 3.66Å; F325-I365 HydrophobicContact CE2-CD1 3.7Å; F325-I365 HydrophobicContact CE2-CG1 4.44Å; F325-I365 HydrophobicContact CG-CD1 4.13Å; F325-I365 HydrophobicContact CG-CG1 3.98Å; F325-I365 HydrophobicContact CG-CG2 4.09Å; F325-I365 HydrophobicContact CZ-CD1 4.13Å; F325-I365 HydrophobicContact CZ-CG2 4.23Å; F325-F382 AromaticContact CE1-CD1 3.71Å; F325-F382 HydrophobicContact CE1-CD1 3.71Å; F325-F382 HydrophobicContact CE1-CD2 4.12Å; F325-F382 AromaticContact CE1-CE1 3.78Å; F325-F382 HydrophobicContact CE1-CE1 3.78Å; F325-F382 HydrophobicContact CE1-CE2 4.21Å; F325-F382 AromaticContact CE1-CG 3.87Å; F325-F382 HydrophobicContact CE1-CG 3.87Å; F325-F382 HydrophobicContact CE1-CZ 4.03Å; F325-F382 HydrophobicContact CZ-CD1 4.14Å; F325-F382 AromaticContact CZ-CD2 3.69Å; F325-F382 HydrophobicContact CZ-CD2 3.69Å; F325-F382 HydrophobicContact CZ-CE1 4.16Å; F325-F382 AromaticContact CZ-CE2 3.73Å; F325-F382 HydrophobicContact CZ-CE2 3.73Å; F325-F382 AromaticContact CZ-CG 3.89Å; F325-F382 HydrophobicContact CZ-CG 3.89Å; F325-F382 AromaticContact CZ-CZ 3.95Å; F325-F382 HydrophobicContact CZ-CZ 3.95Å; F325-M385 HydrophobicContact CD1-CE 4Å; F325-M385 HydrophobicContact CE1-CE 4Å; F325-M385 HydrophobicContact CG-CE 4.48Å; F325-M385 HydrophobicContact CZ-CE 4.47Å
326N98.6Very high96.7Very high2 Ų246.2 Ų46.21%0.01122%0.224CC..Hα-helixtrans-55.8-23.6170.378.381000112.3V321 G323 S324 I328 L329 Y330 Y388 T389 A392V321-N326 WeakPolarHBondContact O-CA 3.21Å; V321-N326 WeakPolarHBondContact O-CB 3.48Å; V321-N326 PolarHBondContact O-N 2.72Å; G323-N326 WeakPolarHBondContact O-CB 3.38Å; G323-N326 PolarHBondContact O-N 3.41Å; G323-N326 PolarHBondContact O-ND2 3.46Å; S324-N326 PolarHBondContact O-N 2.72Å; N326-I328 PolarHBondContact O-N 3.22Å; N326-L329 PolarHBondContact O-N 2.73Å; N326-Y330 HydrophobicContact CB-CD2 3.9Å; N326-Y330 HydrophobicContact CB-CE2 4.12Å; N326-Y330 WeakPolarHBondContact O-CD2 3.44Å; N326-Y330 PolarHBondContact O-N 2.95Å; N326-Y388 PolarHBondContact OD1-O 3.47Å; N326-T389 PolarHBondContact ND2-O 3.01Å; N326-A392 WeakPolarHBondContact OD1-CB 3.44Å
327C97.9Very high96.4Very high2 Ų245.3 Ų45.31%0.01422%0.224CC..Hα-helixtrans-57.2-26.9173.961.80000113.5F325 L329 D331 H332 A333 Y388 T389F325-C327 PolarHBondContact O-N 3.49Å; F325-C327 VanDerWaalsContact O-N 3.07Å; C327-L329 VanDerWaalsContact C-N 3.3Å; C327-L329 PolarHBondContact O-N 3.44Å; C327-D331 HydrophobicContact CB-CB 4.25Å; C327-D331 CarbonylContact O-C 3.45Å; C327-D331 VanDerWaalsContact O-C 3.3Å; C327-D331 WeakPolarHBondContact O-CA 3.33Å; C327-D331 WeakPolarHBondContact O-CB 3.43Å; C327-D331 PolarHBondContact O-N 2.57Å; C327-H332 PolarHBondContact O-N 3.42Å; C327-A333 HydrophobicContact CB-CB 3.88Å; C327-A333 PolarHBondContact O-N 3.13Å; C327-Y388 WeakPolarHBondContact CB-O 3.31Å; C327-T389 HydrophobicContact CB-CG2 4.17Å
328I97.5Very high96.1Very high43 Ų4347.7 Ų47.722%0.22124%0.239CC..Hα-helixtrans-64-40.1174.2-62.4174.6000110.2F325 N326 P335 I365F325-I328 HydrophobicContact CB-CD1 4.1Å; F325-I328 HydrophobicContact CD1-CD1 4.29Å; F325-I328 WeakPolarHBondContact O-CB 3.15Å; F325-I328 PolarHBondContact O-N 3.43Å; N326-I328 PolarHBondContact O-N 3.22Å; I328-P335 HydrophobicContact CD1-CG 4.31Å; I328-P335 HydrophobicContact CG1-CG 4.03Å; I328-I365 HydrophobicContact CD1-CG2 4.17Å; I328-I365 WeakPolarHBondContact CD1-O 3.47Å
329L96.6Very high95.7Very high100 Ų10047.9 Ų47.952%0.52424%0.24SC..Hα-helixtrans-82.2-45.4-177.6-60.4175.5000112.1V321 N326 C327V321-L329 HydrophobicContact CB-CD1 4.1Å; V321-L329 HydrophobicContact CG2-CD1 4.22Å; N326-L329 PolarHBondContact O-N 2.73Å; C327-L329 VanDerWaalsContact C-N 3.3Å; C327-L329 PolarHBondContact O-N 3.44Å
330Y94Very high94.9Very high173 Ų17348.7 Ų48.768%0.67824%0.243SC*.Hα-helixtrans-97.6-27.7-169.6-63.7-65.2000114.7N326N326-Y330 HydrophobicContact CB-CD2 3.9Å; N326-Y330 HydrophobicContact CB-CE2 4.12Å; N326-Y330 WeakPolarHBondContact O-CD2 3.44Å; N326-Y330 PolarHBondContact O-N 2.95Å
331D94.2Very high94.1Very high17 Ų1755.9 Ų55.99%0.09127%0.274CS..SBendtrans-114.61.1-177.2-164.549000112.2R275 C327 A333R275-D331 IonicContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 2.66Å; R275-D331 VanDerWaalsContact CZ-OD2 3.25Å; R275-D331 IonicContact NH1-OD1 2.72Å; R275-D331 IonicContact NH1-OD2 3.51Å; R275-D331 PolarHBondContact NH1-OD2 3.24Å; R275-D331 VanDerWaalsContact NH2-CG 3.27Å; R275-D331 IonicContact NH2-OD1 3.33Å; R275-D331 PolarHBondContact NH2-OD1 2.66Å; R275-D331 IonicContact NH2-OD2 2.84Å; R275-D331 PolarHBondContact NH2-OD2 2.7Å; C327-D331 HydrophobicContact CB-CB 4.25Å; C327-D331 CarbonylContact O-C 3.45Å; C327-D331 VanDerWaalsContact O-C 3.3Å; C327-D331 WeakPolarHBondContact O-CA 3.33Å; C327-D331 WeakPolarHBondContact O-CB 3.43Å; C327-D331 PolarHBondContact O-N 2.57Å; D331-A333 PolarHBondContact O-N 2.84Å
332H94Very high93.2Very high103 Ų10363.8 Ų63.848%0.47731%0.307SS..  trans52.235.8-175.5-51.4-63.4000113.1V161 C327V161-H332 HydrophobicContact CG1-CB 3.65Å; V161-H332 PolarHBondContact O-CD2 2.94Å; C327-H332 PolarHBondContact O-N 3.42Å
333A93.8Very high92.5Very high25 Ų2562.8 Ų62.821%0.20731%0.31CS..  trans-68.9153.8178.700000111.5C327 D331 P335C327-A333 HydrophobicContact CB-CB 3.88Å; C327-A333 PolarHBondContact O-N 3.13Å; D331-A333 PolarHBondContact O-N 2.84Å; A333-P335 VanDerWaalsContact C-CD 3.47Å; A333-P335 HydrophobicContact CB-CG 4.35Å; A333-P335 WeakPolarHBondContact O-CD 3.45Å
334H92.6Very high91.9Very high168 Ų16869.9 Ų69.978%0.77834%0.338SS*.  trans-121.573.4171-62.3-66.3000110.5L336H334-L336 PolarHBondContact O-N 3.23Å
335P93.6Very high91.2Very high24 Ų2476.1 Ų76.116%0.15638%0.379CS..PPolyproline II helixtrans-62.3128.9178.7-20.234.1000110.5F325 I328 A333 F382 M385F325-P335 HydrophobicContact CD1-CB 4.29Å; F325-P335 HydrophobicContact CD1-CG 4.11Å; F325-P335 HydrophobicContact CE1-CB 4.13Å; F325-P335 HydrophobicContact CE1-CG 4.44Å; I328-P335 HydrophobicContact CD1-CG 4.31Å; I328-P335 HydrophobicContact CG1-CG 4.03Å; A333-P335 VanDerWaalsContact C-CD 3.47Å; A333-P335 HydrophobicContact CB-CG 4.35Å; A333-P335 WeakPolarHBondContact O-CD 3.45Å; P335-F382 HydrophobicContact CB-CD1 3.74Å; P335-F382 HydrophobicContact CB-CE1 4.26Å; P335-M385 HydrophobicContact CB-SD 4.15Å; P335-M385 HydrophobicContact CG-SD 4.09Å
336L90.8Very high90.7Very high134 Ų13483.8 Ų83.870%0.70242%0.42SS*.PPolyproline II helixtrans-101.5124.9179.8-64177.8000109.8H334 T338H334-L336 PolarHBondContact O-N 3.23Å; L336-T338 PolarHBondContact O-N 2.52Å
337P93.9Very high90.2Very high28 Ų2887.4 Ų87.418%0.18244%0.437CS..PPolyproline II helixtrans-70.4132.9175.429.3-33.4000109.8I354 L380 F382P337-I354 HydrophobicContact CB-CD1 3.89Å; P337-I354 HydrophobicContact CG-CD1 3.84Å; P337-L380 HydrophobicContact CB-CD2 4.27Å; P337-F382 HydrophobicContact CB-CE1 3.85Å; P337-F382 HydrophobicContact CB-CZ 3.81Å
338T92.4Very high89.9Confident50 Ų5092.2 Ų92.231%0.30745%0.454SS..EExtended strand (participates in β ladder)trans-118142.2169.958.30000109.6L336 L381L336-T338 PolarHBondContact O-N 2.52Å; T338-L381 PolarHBondContact N-O 3.03Å; T338-L381 PolarHBondContact O-N 2.87Å; T338-L381 WeakPolarHBondContact OG1-CB 3.35Å; T338-L381 PolarHBondContact OG1-O 2.81Å
339L89.6Confident89.6Confident31 Ų3193.9 Ų93.916%0.16246%0.462CS..EExtended strand (participates in β ladder)trans-77.5132.8178-64.5165.5000109.4K341 P343 L371 P372 M374 L380L339-K341 VanDerWaalsContact C-N 3.3Å; L339-K341 WeakPolarHBondContact CB-O 3.43Å; L339-K341 PolarHBondContact O-N 3.18Å; L339-P343 HydrophobicContact CD1-CB 4.18Å; L339-P343 HydrophobicContact CD1-CG 4Å; L339-L371 HydrophobicContact CD2-CD2 4.1Å; L339-L371 HydrophobicContact CG-CD2 4.31Å; L339-P372 HydrophobicContact CD1-CG 3.69Å; L339-P372 HydrophobicContact CD2-CG 4.07Å; L339-M374 HydrophobicContact CD2-CE 3.92Å; L339-M374 HydrophobicContact CD2-CG 4.32Å; L339-M374 HydrophobicContact CD2-SD 3.61Å; L339-L380 HydrophobicContact CD2-CD2 4.11Å
340H82.6Confident89.4Confident27 Ų2790.2 Ų90.213%0.12544%0.441CS..SBendtrans-54.9-48.6170.9165.2-127.3000111I26 W379 L381I26-H340 HydrophobicContact CD1-CB 4.23Å; H340-W379 HydrophobicContact CB-CB 4.32Å; H340-L381 HydrophobicContact CB-CD1 4.28Å; H340-L381 HydrophobicContact CB-CG 4.29Å
341K80.8Confident89.5Confident153 Ų15384.8 Ų84.867%0.66543%0.428SS*.SBendtrans-97.7130.5174.6-66.5-179.4-179.4174.70109.8L339L339-K341 VanDerWaalsContact C-N 3.3Å; L339-K341 WeakPolarHBondContact CB-O 3.43Å; L339-K341 PolarHBondContact O-N 3.18Å
342K80.6Confident89.5Confident173 Ų17384.1 Ų84.175%0.75242%0.424SS*.PPolyproline II helixtrans-59.1132.8173-72.9-174.3179.1179.30109.2
343P82.4Confident89.7Confident55 Ų5579.9 Ų79.936%0.35741%0.406SS..PPolyproline II helixtrans-64.3151.5176.627.2-31.4000109.3L339 E347L339-P343 HydrophobicContact CD1-CB 4.18Å; L339-P343 HydrophobicContact CD1-CG 4Å; P343-E347 WeakPolarHBondContact CA-OE2 3.31Å; P343-E347 HydrophobicContact CB-CB 4.23Å; P343-E347 WeakPolarHBondContact CB-OE2 3.41Å
344K86.8Confident89.9Confident159 Ų15978.7 Ų78.769%0.69140%0.396SS*.PPolyproline II helixtrans-64.8149.1171.7-59.9174.3-177.3171.10108.6D346 E347K344-D346 PolarHBondContact O-N 3.47Å; K344-D346 VanDerWaalsContact O-N 3.09Å; K344-E347 HydrophobicContact CB-CB 4.09Å; K344-E347 PolarHBondContact N-OE2 3.01Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 2.92Å
345P84.4Confident90.2Very high131 Ų13172.8 Ų72.885%0.85137%0.367SS*.THydrogen-bonded Turntrans-52.9-35.4-178.4-28.635.6000114.2
346D87.4Confident90.5Very high162 Ų16271.8 Ų71.887%0.86636%0.361SS*.THydrogen-bonded Turntrans-100.412.6-178.4-45.1-42.9000112.2K344 R348K344-D346 PolarHBondContact O-N 3.47Å; K344-D346 VanDerWaalsContact O-N 3.09Å; D346-R348 PolarHBondContact O-N 3.4Å
347E89.4Confident90.8Very high78 Ų7866.4 Ų66.436%0.36433%0.334SS..PPolyproline II helixtrans-71.4125.9179.8-166.8163.8-171.800110.6P343 K344 M349 P372P343-E347 WeakPolarHBondContact CA-OE2 3.31Å; P343-E347 HydrophobicContact CB-CB 4.23Å; P343-E347 WeakPolarHBondContact CB-OE2 3.41Å; K344-E347 HydrophobicContact CB-CB 4.09Å; K344-E347 PolarHBondContact N-OE2 3.01Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 2.92Å; E347-M349 PolarHBondContact O-N 2.81Å; E347-P372 HydrophobicContact CG-CB 3.9Å; E347-P372 WeakPolarHBondContact OE1-CB 3.4Å
348R89.6Confident91.1Very high103 Ų10366 Ų6639%0.38933%0.331SS..PPolyproline II helixtrans-71.1133.7-177.6-174168.2-176.1132.611.6110.9D306 V308 D346 Y350 P372D306-R348 IonicContact OD1-NH2 2.72Å; V308-R348 PolarHBondContact O-NH2 2.91Å; D346-R348 PolarHBondContact O-N 3.4Å; R348-Y350 HydrophobicContact CB-CE2 4.18Å; R348-Y350 WeakPolarHBondContact CD-OH 3.45Å; R348-Y350 HydrophobicContact CG-CE1 4.35Å; R348-Y350 HydrophobicContact CG-CE2 3.93Å; R348-P372 WeakPolarHBondContact O-CA 3.46Å
349M92Very high91.3Very high77 Ų7769.6 Ų69.638%0.37936%0.357SS..EExtended strand (participates in β ladder)trans-103.9149.4177.2-52.8-67.6-7800110.9E347 T370 P372E347-M349 PolarHBondContact O-N 2.81Å; M349-T370 HydrophobicContact CB-CG2 3.46Å; M349-T370 VanDerWaalsContact CB-CG2 3.46Å; M349-T370 HydrophobicContact CE-CG2 4.18Å; M349-T370 WeakPolarHBondContact CE-O 3.39Å; M349-T370 HydrophobicContact CG-CG2 4.29Å; M349-P372 HydrophobicContact SD-CB 4.12Å; M349-P372 HydrophobicContact SD-CG 4.42Å
350Y93.5Very high91.6Very high23 Ų2370.4 Ų70.49%0.0936%0.362CS..EExtended strand (participates in β ladder)trans-129.7146.1-178.4-60.1-91.4000110.8R311 L313 R348 C352 T370 L371 D373R311-Y350 HydrophobicContact CG-CD1 3.91Å; R311-Y350 HydrophobicContact CG-CE1 4.02Å; R311-Y350 VanDerWaalsContact NE-CE1 3.26Å; R311-Y350 PolarHBondContact NH2-OH 3.02Å; L313-Y350 HydrophobicContact CD1-CD2 3.99Å; L313-Y350 HydrophobicContact CD1-CG 3.89Å; L313-Y350 HydrophobicContact CG-CG 4.49Å; R348-Y350 HydrophobicContact CB-CE2 4.18Å; R348-Y350 WeakPolarHBondContact CD-OH 3.45Å; R348-Y350 HydrophobicContact CG-CE1 4.35Å; R348-Y350 HydrophobicContact CG-CE2 3.93Å; Y350-C352 PolarHBondContact O-N 2.94Å; Y350-T370 WeakPolarHBondContact O-CA 3.36Å; Y350-L371 PolarHBondContact N-O 2.91Å; Y350-L371 PolarHBondContact O-N 2.91Å; Y350-L371 VanDerWaalsContact O-N 3.15Å; Y350-D373 HydrophobicContact CD2-CB 4.14Å; Y350-D373 HydrophobicContact CE2-CB 3.79Å
351P94.8Very high92.3Very high60 Ų6072 Ų7239%0.3939%0.385SS..EExtended strand (participates in β ladder)trans-62.5134.2165.828.5-33.2000109.1T312 L313T312-P351 WeakPolarHBondContact CA-O 3.26Å; T312-P351 WeakPolarHBondContact CG2-O 3.45Å; L313-P351 PolarHBondContact N-O 3.37Å
352C95.4Very high93Very high3 Ų371.3 Ų71.32%0.0239%0.388CS..EExtended strand (participates in β ladder)trans-149.7162.9-177.763.50000113.1L313 Y315 Y350 V368 C369L313-C352 HydrophobicContact CB-CB 3.86Å; L313-C352 CarbonylContact O-C 3.49Å; L313-C352 WeakPolarHBondContact O-CA 3.16Å; L313-C352 VanDerWaalsContact O-CB 3.26Å; L313-C352 WeakPolarHBondContact O-CB 3.41Å; Y315-C352 HydrophobicContact CD2-CB 4.15Å; Y315-C352 HydrophobicContact CE2-CB 3.84Å; Y350-C352 PolarHBondContact O-N 2.94Å; C352-V368 CarbonylContact O-C 3.58Å; C352-V368 WeakPolarHBondContact O-CA 3.06Å; C352-C369 PolarHBondContact N-O 2.98Å; C352-C369 PolarHBondContact O-N 2.86Å; C352-C369 PolarHBondContact SG-O 2.84Å; C352-C369 PolarHBondContact SG-SG 2.85Å
353S97.4Very high93.9Very high13 Ų1363.1 Ų63.19%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-121.8148.7172.353.70000110L313 Y315 W355 A366 E367L313-S353 PolarHBondContact O-N 3.44Å; Y315-S353 PolarHBondContact N-O 2.95Å; S353-W355 PolarHBondContact OG-NE1 2.94Å; S353-A366 WeakPolarHBondContact CA-O 3.43Å; S353-A366 WeakPolarHBondContact CB-O 3.34Å; S353-E367 WeakPolarHBondContact CB-O 3.43Å
354I98.6Very high94.6Very high0 Ų064.8 Ų64.80%035%0.351CS..EExtended strand (participates in β ladder)trans-118.7129.5179.5-52.6171.5000108.7Y315 V317 P337 I365 A366 L371 L380Y315-I354 CarbonylContact O-C 3.6Å; Y315-I354 WeakPolarHBondContact O-CA 3.44Å; V317-I354 HydrophobicContact CG1-CG2 4.1Å; V317-I354 HydrophobicContact CG2-CG2 4.15Å; P337-I354 HydrophobicContact CB-CD1 3.89Å; P337-I354 HydrophobicContact CG-CD1 3.84Å; I354-I365 HydrophobicContact CB-CB 4.37Å; I354-I365 HydrophobicContact CG2-CB 4.23Å; I354-I365 HydrophobicContact CG2-CD1 4.11Å; I354-I365 PolarHBondContact O-N 2.89Å; I354-A366 HydrophobicContact CB-CB 4.02Å; I354-A366 HydrophobicContact CD1-CB 4.08Å; I354-A366 HydrophobicContact CG1-CB 4.11Å; I354-A366 PolarHBondContact N-O 2.89Å; I354-A366 PolarHBondContact O-N 2.87Å; I354-A366 VanDerWaalsContact O-N 3.1Å; I354-L371 HydrophobicContact CD1-CD1 4.12Å; I354-L380 HydrophobicContact CD1-CD1 4.02Å
355W98.7Very high95.2Very high44 Ų4457.9 Ų57.917%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-123.3147-173.6-59.279.1000110.4M314 Y315 Y316 V317 S353 G361 D363 R364M314-W355 HydrophobicContact CE-CD2 4.32Å; M314-W355 VanDerWaalsContact CE-CE2 3.41Å; M314-W355 HydrophobicContact CE-CZ2 3.54Å; M314-W355 VanDerWaalsContact CE-NE1 3.26Å; Y315-W355 PolarHBondContact O-N 3.41Å; Y316-W355 CarbonylContact C-O 2.99Å; Y316-W355 WeakPolarHBondContact CA-O 3.26Å; Y316-W355 HydrophobicContact CD1-CB 3.71Å; Y316-W355 HydrophobicContact CD1-CG 4.36Å; Y316-W355 HydrophobicContact CE1-CB 3.98Å; Y316-W355 HydrophobicContact CE1-CG 4.19Å; Y316-W355 HydrophobicContact CG-CB 4.23Å; V317-W355 WeakPolarHBondContact CG2-O 3.44Å; V317-W355 PolarHBondContact N-O 3.47Å; S353-W355 PolarHBondContact OG-NE1 2.94Å; W355-G361 WeakPolarHBondContact CZ3-O 3.06Å; W355-D363 WeakPolarHBondContact CA-O 3.44Å; W355-R364 HydrophobicContact CD2-CB 4.28Å; W355-R364 HydrophobicContact CD2-CG 4.04Å; W355-R364 HydrophobicContact CE3-CB 3.78Å; W355-R364 HydrophobicContact CE3-CG 4.01Å; W355-R364 HydrophobicContact CH2-CB 4.36Å; W355-R364 HydrophobicContact CH2-CG 4.15Å; W355-R364 HydrophobicContact CZ2-CG 4.14Å; W355-R364 HydrophobicContact CZ3-CB 3.84Å; W355-R364 HydrophobicContact CZ3-CG 4.08Å
356G98.7Very high95.8Very high3 Ų352.5 Ų52.53%0.03129%0.289CS..  trans-79.6-177.4171.300000112.7V317 D363V317-G356 CarbonylContact O-C 3.57Å; G356-D363 VanDerWaalsContact C-OD2 3.23Å; G356-D363 VanDerWaalsContact CA-CG 3.49Å; G356-D363 WeakPolarHBondContact CA-OD1 3.06Å; G356-D363 WeakPolarHBondContact CA-OD2 3.04Å; G356-D363 PolarHBondContact N-O 3.14Å
357P98.6Very high96.1Very high21 Ų2150.7 Ų50.714%0.13628%0.275CS..SBendtrans-88-8.5-169.934.4-36.5000114.2I289 V317 D319 F399I289-P357 HydrophobicContact CD1-CB 4.17Å; V317-P357 WeakPolarHBondContact O-CB 3.15Å; V317-P357 WeakPolarHBondContact O-CD 3.43Å; D319-P357 VanDerWaalsContact C-CD 3.47Å; P357-F399 HydrophobicContact CB-CD1 4Å; P357-F399 HydrophobicContact CB-CD2 4.3Å; P357-F399 HydrophobicContact CB-CE1 3.74Å; P357-F399 HydrophobicContact CB-CE2 4.06Å; P357-F399 HydrophobicContact CB-CG 4.28Å; P357-F399 HydrophobicContact CB-CZ 3.77Å; P357-F399 HydrophobicContact CG-CD1 4.09Å; P357-F399 HydrophobicContact CG-CD2 4Å; P357-F399 HydrophobicContact CG-CE1 4.31Å; P357-F399 HydrophobicContact CG-CE2 4.23Å; P357-F399 HydrophobicContact CG-CG 3.93Å; P357-F399 HydrophobicContact CG-CZ 4.37Å; P357-F399 VanDerWaalsContact O-CE2 3.31Å; P357-F399 WeakPolarHBondContact O-CE2 3.44Å; P357-F399 WeakPolarHBondContact O-CZ 3.26Å
358T98.4Very high96.2Very high20 Ų2052.4 Ų52.412%0.12329%0.291CS..SBendtrans-76.5166.3-171.470.50000113Y322 D360 D363 F396 N397 F399Y322-T358 HydrophobicContact CD2-CG2 3.94Å; Y322-T358 HydrophobicContact CG-CG2 4.49Å; T358-D360 PolarHBondContact O-N 3.42Å; T358-D360 PolarHBondContact OG1-N 2.98Å; T358-D363 VanDerWaalsContact CB-OD2 3.3Å; T358-D363 WeakPolarHBondContact CB-OD2 3.49Å; T358-D363 VanDerWaalsContact CG2-OD2 3.27Å; T358-D363 WeakPolarHBondContact CG2-OD2 3.32Å; T358-D363 PolarHBondContact N-OD2 3.2Å; T358-D363 WeakPolarHBondContact OG1-CB 3.42Å; T358-D363 VanDerWaalsContact OG1-CG 3.24Å; T358-D363 PolarHBondContact OG1-OD2 3.29Å; T358-F396 HydrophobicContact CG2-CD1 4.12Å; T358-N397 WeakPolarHBondContact CB-OD1 3.13Å; T358-N397 HydrophobicContact CG2-CB 4.41Å; T358-F399 HydrophobicContact CG2-CD2 4.05Å; T358-F399 HydrophobicContact CG2-CE2 4.23Å
359C96.9Very high96.4Very high126 Ų12648.5 Ų48.585%0.85128%0.279SS*.SBendtrans-785.9173.8-62.80000113.4N397C359-N397 PolarHBondContact N-OD1 3.26Å
360D96.7Very high96.5Very high48 Ų4849 Ų4926%0.25729%0.287SS..  trans-91128-179.5-170.4-9.4000111.2Y322 T358 L362 D363Y322-D360 HydrophobicContact CE2-CB 3.97Å; Y322-D360 WeakPolarHBondContact CE2-OD2 3.42Å; Y322-D360 PolarHBondContact OH-OD2 2.86Å; T358-D360 PolarHBondContact O-N 3.42Å; T358-D360 PolarHBondContact OG1-N 2.98Å; D360-L362 PolarHBondContact O-N 3.3Å; D360-L362 PolarHBondContact OD1-N 3.23Å; D360-D363 HydrophobicContact CB-CB 4.49Å; D360-D363 WeakPolarHBondContact O-CB 3.43Å; D360-D363 PolarHBondContact O-N 2.83Å; D360-D363 VanDerWaalsContact O-N 3.07Å
361G96.4Very high96.6Very high59 Ų5948.3 Ų48.361%0.60828%0.284SS*.THydrogen-bonded Turntrans-67.9-8.1175.100000114.4W355W355-G361 WeakPolarHBondContact CZ3-O 3.06Å
362L96.7Very high96.5Very high139 Ų13945.8 Ų45.873%0.72827%0.268SS*.THydrogen-bonded Turntrans-90.9-5.5171.5-62.9-179.8000113.4D360 R364D360-L362 PolarHBondContact O-N 3.3Å; D360-L362 PolarHBondContact OD1-N 3.23Å; L362-R364 PolarHBondContact O-N 2.9Å
363D98.3Very high96.5Very high2 Ų247.9 Ų47.91%0.01128%0.279CS..  trans-7766.9176.9-168.713.4000111.6G320 V321 W355 G356 T358 D360G320-D363 VanDerWaalsContact CA-OD1 3.27Å; G320-D363 WeakPolarHBondContact CA-OD1 3.49Å; V321-D363 HydrophobicContact CG2-CB 4.13Å; V321-D363 WeakPolarHBondContact CG2-OD1 3.35Å; V321-D363 PolarHBondContact N-OD1 3.04Å; W355-D363 WeakPolarHBondContact CA-O 3.44Å; G356-D363 VanDerWaalsContact C-OD2 3.23Å; G356-D363 VanDerWaalsContact CA-CG 3.49Å; G356-D363 WeakPolarHBondContact CA-OD1 3.06Å; G356-D363 WeakPolarHBondContact CA-OD2 3.04Å; G356-D363 PolarHBondContact N-O 3.14Å; T358-D363 VanDerWaalsContact CB-OD2 3.3Å; T358-D363 WeakPolarHBondContact CB-OD2 3.49Å; T358-D363 VanDerWaalsContact CG2-OD2 3.27Å; T358-D363 WeakPolarHBondContact CG2-OD2 3.32Å; T358-D363 PolarHBondContact N-OD2 3.2Å; T358-D363 WeakPolarHBondContact OG1-CB 3.42Å; T358-D363 VanDerWaalsContact OG1-CG 3.24Å; T358-D363 PolarHBondContact OG1-OD2 3.29Å; D360-D363 HydrophobicContact CB-CB 4.49Å; D360-D363 WeakPolarHBondContact O-CB 3.43Å; D360-D363 PolarHBondContact O-N 2.83Å; D360-D363 VanDerWaalsContact O-N 3.07Å
364R98.2Very high96.4Very high89 Ų8947.5 Ų47.534%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-121.6116.6-176.4-170.3175.365.8168.13.6109.4W355 L362 E367W355-R364 HydrophobicContact CD2-CB 4.28Å; W355-R364 HydrophobicContact CD2-CG 4.04Å; W355-R364 HydrophobicContact CE3-CB 3.78Å; W355-R364 HydrophobicContact CE3-CG 4.01Å; W355-R364 HydrophobicContact CH2-CB 4.36Å; W355-R364 HydrophobicContact CH2-CG 4.15Å; W355-R364 HydrophobicContact CZ2-CG 4.14Å; W355-R364 HydrophobicContact CZ3-CB 3.84Å; W355-R364 HydrophobicContact CZ3-CG 4.08Å; L362-R364 PolarHBondContact O-N 2.9Å; R364-E367 VanDerWaalsContact CZ-CD 3.4Å; R364-E367 IonicContact CZ-OE1 3.62Å; R364-E367 IonicContact CZ-OE2 2.62Å; R364-E367 VanDerWaalsContact NH1-CD 3.31Å; R364-E367 IonicContact NH1-OE1 3.24Å; R364-E367 PolarHBondContact NH1-OE1 3.41Å; R364-E367 IonicContact NH2-OE1 3.34Å; R364-E367 PolarHBondContact NH2-OE1 2.9Å; R364-E367 IonicContact NH2-OE2 3.23Å; R364-E367 PolarHBondContact NH2-OE2 3.41Å; R364-E367 VanDerWaalsContact NH2-OE2 3.1Å
365I98.2Very high96.2Very high15 Ų1552 Ų528%0.07730%0.297CS..EExtended strand (participates in β ladder)trans-83.5-45.3-176.8-60.5166.5000110.4V317 D319 F325 I328 I354 F382V317-I365 HydrophobicContact CG2-CD1 3.52Å; D319-I365 WeakPolarHBondContact O-CD1 3.46Å; F325-I365 HydrophobicContact CB-CG1 4.31Å; F325-I365 HydrophobicContact CD1-CG1 4.35Å; F325-I365 HydrophobicContact CD1-CG2 3.58Å; F325-I365 HydrophobicContact CD2-CD1 3.7Å; F325-I365 HydrophobicContact CD2-CG1 4.04Å; F325-I365 HydrophobicContact CE1-CG2 3.66Å; F325-I365 HydrophobicContact CE2-CD1 3.7Å; F325-I365 HydrophobicContact CE2-CG1 4.44Å; F325-I365 HydrophobicContact CG-CD1 4.13Å; F325-I365 HydrophobicContact CG-CG1 3.98Å; F325-I365 HydrophobicContact CG-CG2 4.09Å; F325-I365 HydrophobicContact CZ-CD1 4.13Å; F325-I365 HydrophobicContact CZ-CG2 4.23Å; I328-I365 HydrophobicContact CD1-CG2 4.17Å; I328-I365 WeakPolarHBondContact CD1-O 3.47Å; I354-I365 HydrophobicContact CB-CB 4.37Å; I354-I365 HydrophobicContact CG2-CB 4.23Å; I354-I365 HydrophobicContact CG2-CD1 4.11Å; I354-I365 PolarHBondContact O-N 2.89Å; I365-F382 HydrophobicContact CG2-CE1 4.3Å; I365-F382 HydrophobicContact CG2-CZ 4.32Å
366A96.9Very high96.1Very high18 Ų1854 Ų5415%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-133121.8177.900000109.8S353 I354S353-A366 WeakPolarHBondContact CA-O 3.43Å; S353-A366 WeakPolarHBondContact CB-O 3.34Å; I354-A366 HydrophobicContact CB-CB 4.02Å; I354-A366 HydrophobicContact CD1-CB 4.08Å; I354-A366 HydrophobicContact CG1-CB 4.11Å; I354-A366 PolarHBondContact N-O 2.89Å; I354-A366 PolarHBondContact O-N 2.87Å; I354-A366 VanDerWaalsContact O-N 3.1Å
367E94.4Very high95.9Very high123 Ų12354.8 Ų54.858%0.57532%0.321SS*.EExtended strand (participates in β ladder)trans-72-47.6177173.3156.4-133.800111.8S353 R364S353-E367 WeakPolarHBondContact CB-O 3.43Å; R364-E367 VanDerWaalsContact CZ-CD 3.4Å; R364-E367 IonicContact CZ-OE1 3.62Å; R364-E367 IonicContact CZ-OE2 2.62Å; R364-E367 VanDerWaalsContact NH1-CD 3.31Å; R364-E367 IonicContact NH1-OE1 3.24Å; R364-E367 PolarHBondContact NH1-OE1 3.41Å; R364-E367 IonicContact NH2-OE1 3.34Å; R364-E367 PolarHBondContact NH2-OE1 2.9Å; R364-E367 IonicContact NH2-OE2 3.23Å; R364-E367 PolarHBondContact NH2-OE2 3.41Å; R364-E367 VanDerWaalsContact NH2-OE2 3.1Å
368V92.2Very high95.8Very high115 Ų11557.5 Ų57.570%0.69733%0.332SS*.EExtended strand (participates in β ladder)trans-140124.51751780000109.1C352C352-V368 CarbonylContact O-C 3.58Å; C352-V368 WeakPolarHBondContact O-CA 3.06Å
369C94.1Very high95.7Very high20 Ų2057.3 Ų57.314%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-143.9172.516559.30000110.3C352C352-C369 PolarHBondContact N-O 2.98Å; C352-C369 PolarHBondContact O-N 2.86Å; C352-C369 PolarHBondContact SG-O 2.84Å; C352-C369 PolarHBondContact SG-SG 2.85Å
370T94.1Very high95.7Very high89 Ų8951.3 Ų51.355%0.54629%0.289SS..EExtended strand (participates in β ladder)trans-119116-177.4-59.50000109M349 Y350M349-T370 HydrophobicContact CB-CG2 3.46Å; M349-T370 VanDerWaalsContact CB-CG2 3.46Å; M349-T370 HydrophobicContact CE-CG2 4.18Å; M349-T370 WeakPolarHBondContact CE-O 3.39Å; M349-T370 HydrophobicContact CG-CG2 4.29Å; Y350-T370 WeakPolarHBondContact O-CA 3.36Å
371L94.3Very high95.8Very high8 Ų849.2 Ų49.24%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-135.8157.5-177.7-67.6175.8000110.3Y315 L339 Y350 I354 M374 L380Y315-L371 HydrophobicContact CD2-CD1 4.28Å; Y315-L371 HydrophobicContact CE2-CB 4.36Å; Y315-L371 HydrophobicContact CE2-CD1 4.22Å; L339-L371 HydrophobicContact CD2-CD2 4.1Å; L339-L371 HydrophobicContact CG-CD2 4.31Å; Y350-L371 PolarHBondContact N-O 2.91Å; Y350-L371 PolarHBondContact O-N 2.91Å; Y350-L371 VanDerWaalsContact O-N 3.15Å; I354-L371 HydrophobicContact CD1-CD1 4.12Å; L371-M374 HydrophobicContact CD1-SD 4.11Å; L371-L380 HydrophobicContact CD1-CD1 4.49Å; L371-L380 HydrophobicContact CD1-CD2 4.18Å
372P94.3Very high95.8Very high7 Ų746.5 Ų46.55%0.04525%0.249CC..EExtended strand (participates in β ladder)trans-64.9174.4168.430.9-36.2000110.9Y315 L339 E347 R348 M349 M374Y315-P372 PolarHBondContact OH-O 3.34Å; L339-P372 HydrophobicContact CD1-CG 3.69Å; L339-P372 HydrophobicContact CD2-CG 4.07Å; E347-P372 HydrophobicContact CG-CB 3.9Å; E347-P372 WeakPolarHBondContact OE1-CB 3.4Å; R348-P372 WeakPolarHBondContact O-CA 3.46Å; M349-P372 HydrophobicContact SD-CB 4.12Å; M349-P372 HydrophobicContact SD-CG 4.42Å; P372-M374 VanDerWaalsContact C-N 3.27Å; P372-M374 HydrophobicContact CG-CG 4.3Å; P372-M374 PolarHBondContact O-N 3.08Å
373D94.3Very high95.9Very high47 Ų4744.2 Ų44.225%0.25123%0.234SC..  trans-7575.6178.9-16610.7000111.9K291 R311 L313 Y350 Q375K291-D373 VanDerWaalsContact CE-OD1 3.23Å; K291-D373 WeakPolarHBondContact CE-OD1 3.5Å; K291-D373 IonicContact NZ-OD1 2.72Å; K291-D373 PolarHBondContact NZ-OD1 2.81Å; R311-D373 IonicContact CZ-OD2 3.97Å; R311-D373 IonicContact NH1-OD2 3.79Å; R311-D373 IonicContact NH2-OD2 3.94Å; R311-D373 PolarHBondContact NH2-OD2 2.89Å; L313-D373 HydrophobicContact CD1-CB 4.41Å; Y350-D373 HydrophobicContact CD2-CB 4.14Å; Y350-D373 HydrophobicContact CE2-CB 3.79Å; D373-Q375 PolarHBondContact O-NE2 3.46Å
374M94.8Very high95.8Very high5 Ų546.4 Ų46.43%0.02525%0.246CC..  trans-67.6155.6-176.8-59.8-17470.400112.7V288 K291 Y315 L339 L371 P372 E378 L380V288-M374 HydrophobicContact CG2-CE 4.22Å; K291-M374 VanDerWaalsContact CD-O 3.32Å; K291-M374 WeakPolarHBondContact CD-O 3.4Å; K291-M374 VanDerWaalsContact CE-O 3.31Å; K291-M374 WeakPolarHBondContact CE-O 3.47Å; K291-M374 PolarHBondContact NZ-O 3.32Å; Y315-M374 HydrophobicContact CD1-CB 4.47Å; Y315-M374 HydrophobicContact CE1-CB 3.77Å; Y315-M374 PolarHBondContact OH-N 3.02Å; L339-M374 HydrophobicContact CD2-CE 3.92Å; L339-M374 HydrophobicContact CD2-CG 4.32Å; L339-M374 HydrophobicContact CD2-SD 3.61Å; L371-M374 HydrophobicContact CD1-SD 4.11Å; P372-M374 VanDerWaalsContact C-N 3.27Å; P372-M374 HydrophobicContact CG-CG 4.3Å; P372-M374 PolarHBondContact O-N 3.08Å; M374-E378 WeakPolarHBondContact CA-OE2 3.48Å; M374-E378 VanDerWaalsContact CB-OE2 3.31Å; M374-E378 WeakPolarHBondContact CB-OE2 3.45Å; M374-E378 HydrophobicContact CE-CB 3.92Å; M374-L380 HydrophobicContact CE-CD2 3.71Å; M374-L380 HydrophobicContact CE-CG 3.86Å; M374-L380 HydrophobicContact SD-CD1 4.46Å; M374-L380 HydrophobicContact SD-CD2 3.6Å; M374-L380 VanDerWaalsContact SD-CD2 3.6Å; M374-L380 HydrophobicContact SD-CG 4.08Å
375Q95.5Very high95.9Very high94 Ų9442.5 Ų42.544%0.43923%0.232SC..  trans-114.3157.4-179.1-54.4-55.2-44.700112.5K291 D373 G377 E378K291-Q375 VanDerWaalsContact NZ-NE2 3.17Å; D373-Q375 PolarHBondContact O-NE2 3.46Å; Q375-G377 PolarHBondContact O-N 2.58Å; Q375-E378 HydrophobicContact CB-CG 4.29Å; Q375-E378 PolarHBondContact N-OE2 2.82Å; Q375-E378 VanDerWaalsContact O-CB 3.32Å; Q375-E378 WeakPolarHBondContact O-CB 3.29Å; Q375-E378 WeakPolarHBondContact O-CG 3.35Å; Q375-E378 PolarHBondContact O-N 2.9Å; Q375-E378 VanDerWaalsContact O-N 3.08Å
376V96.7Very high95.9Very high87 Ų8741.8 Ų41.853%0.52723%0.228SC..THydrogen-bonded Turntrans-58.7134172.3174.40000109.2V288 K291V288-V376 CarbonylContact O-C 3.56Å; V288-V376 VanDerWaalsContact O-CA 3.29Å; V288-V376 WeakPolarHBondContact O-CA 3.4Å; V288-V376 WeakPolarHBondContact O-CG1 3.44Å; K291-V376 HydrophobicContact CB-CG2 4.29Å
377G94.8Very high95.9Very high18 Ų1841.2 Ų41.219%0.18622%0.223CC..THydrogen-bonded Turntrans92.2-8.6-174.200000114.7N287 V288 Q375N287-G377 VanDerWaalsContact ND2-C 3.26Å; N287-G377 PolarHBondContact ND2-O 2.9Å; N287-G377 WeakPolarHBondContact OD1-CA 3.32Å; V288-G377 PolarHBondContact O-N 2.75Å; Q375-G377 PolarHBondContact O-N 2.58Å
378E95.2Very high96.1Very high79 Ų7938 Ų3837%0.36921%0.206SC..  trans-78.8160.5171.2-64.3-168.7136.300112.3N287 V288 M374 Q375N287-E378 PolarHBondContact ND2-O 2.89Å; V288-E378 PolarHBondContact N-O 2.91Å; M374-E378 WeakPolarHBondContact CA-OE2 3.48Å; M374-E378 VanDerWaalsContact CB-OE2 3.31Å; M374-E378 WeakPolarHBondContact CB-OE2 3.45Å; M374-E378 HydrophobicContact CE-CB 3.92Å; Q375-E378 HydrophobicContact CB-CG 4.29Å; Q375-E378 PolarHBondContact N-OE2 2.82Å; Q375-E378 VanDerWaalsContact O-CB 3.32Å; Q375-E378 WeakPolarHBondContact O-CB 3.29Å; Q375-E378 WeakPolarHBondContact O-CG 3.35Å; Q375-E378 PolarHBondContact O-N 2.9Å; Q375-E378 VanDerWaalsContact O-N 3.08Å
379W96.9Very high96.4Very high15 Ų1532.6 Ų32.66%0.05717%0.174CC..EExtended strand (participates in β ladder)trans-113.1138-172-65.685.8000112.3I26 M29 K35 D36 F38 A285 V286 N287 H340I26-W379 HydrophobicContact CD1-CB 3.85Å; I26-W379 HydrophobicContact CD1-CD2 4.29Å; I26-W379 HydrophobicContact CD1-CG 3.88Å; I26-W379 HydrophobicContact CG1-CB 4.42Å; I26-W379 HydrophobicContact CG1-CD2 3.93Å; I26-W379 HydrophobicContact CG1-CE3 4.47Å; I26-W379 HydrophobicContact CG1-CG 3.9Å; I26-W379 HydrophobicContact CG2-CG 4.15Å; M29-W379 HydrophobicContact CB-CZ2 4.33Å; M29-W379 HydrophobicContact SD-CH2 3.82Å; M29-W379 HydrophobicContact SD-CZ2 3.98Å; K35-W379 HydrophobicContact CB-CH2 4.13Å; K35-W379 HydrophobicContact CB-CZ2 3.74Å; K35-W379 HydrophobicContact CG-CZ2 4.19Å; K35-W379 WeakPolarHBondContact O-CH2 3.32Å; D36-W379 WeakPolarHBondContact O-CH2 3.15Å; F38-W379 AromaticContact CD1-CH2 3.95Å; F38-W379 HydrophobicContact CD1-CH2 3.95Å; F38-W379 AromaticContact CD1-CZ3 3.85Å; F38-W379 HydrophobicContact CD1-CZ3 3.85Å; F38-W379 HydrophobicContact CE1-CE3 4.26Å; F38-W379 AromaticContact CE1-CH2 3.77Å; F38-W379 HydrophobicContact CE1-CH2 3.77Å; F38-W379 HydrophobicContact CE1-CZ2 4.44Å; F38-W379 AromaticContact CE1-CZ3 3.67Å; F38-W379 HydrophobicContact CE1-CZ3 3.67Å; A285-W379 HydrophobicContact CB-CE3 3.86Å; A285-W379 HydrophobicContact CB-CZ3 4.12Å; V286-W379 VanDerWaalsContact C-CE3 3.49Å; V286-W379 WeakPolarHBondContact O-CA 3.38Å; N287-W379 HydrophobicContact CB-CD2 4.39Å; N287-W379 HydrophobicContact CB-CE3 4.19Å; N287-W379 HydrophobicContact CB-CH2 4.25Å; N287-W379 HydrophobicContact CB-CZ2 4.43Å; N287-W379 HydrophobicContact CB-CZ3 4.11Å; H340-W379 HydrophobicContact CB-CB 4.32Å
380L97.2Very high96.6Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-109138.9167.5-73.3171.7000109.3A285 V286 V288 V317 P337 L339 I354 L371 M374 F382A285-L380 WeakPolarHBondContact CA-O 3.44Å; V286-L380 HydrophobicContact CG2-CB 3.86Å; V286-L380 PolarHBondContact N-O 2.8Å; V286-L380 PolarHBondContact O-N 2.83Å; V288-L380 HydrophobicContact CG2-CD1 4.48Å; V317-L380 HydrophobicContact CG1-CD1 4.23Å; P337-L380 HydrophobicContact CB-CD2 4.27Å; L339-L380 HydrophobicContact CD2-CD2 4.11Å; I354-L380 HydrophobicContact CD1-CD1 4.02Å; L371-L380 HydrophobicContact CD1-CD1 4.49Å; L371-L380 HydrophobicContact CD1-CD2 4.18Å; M374-L380 HydrophobicContact CE-CD2 3.71Å; M374-L380 HydrophobicContact CE-CG 3.86Å; M374-L380 HydrophobicContact SD-CD1 4.46Å; M374-L380 HydrophobicContact SD-CD2 3.6Å; M374-L380 VanDerWaalsContact SD-CD2 3.6Å; M374-L380 HydrophobicContact SD-CG 4.08Å; L380-F382 HydrophobicContact CB-CE2 3.97Å
381L97.8Very high96.8Very high5 Ų529.9 Ų29.93%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-111.5135.9179.8-54.9-176.9000110.1V22 I26 T283 L284 A285 T338 H340V22-L381 HydrophobicContact CG1-CD1 4.04Å; V22-L381 HydrophobicContact CG1-CD2 3.59Å; V22-L381 HydrophobicContact CG1-CG 4.48Å; I26-L381 HydrophobicContact CD1-CD2 4.1Å; T283-L381 HydrophobicContact CG2-CB 4.44Å; L284-L381 CarbonylContact O-C 3.58Å; L284-L381 WeakPolarHBondContact O-CA 3.35Å; A285-L381 HydrophobicContact CB-CD2 3.59Å; T338-L381 PolarHBondContact N-O 3.03Å; T338-L381 PolarHBondContact O-N 2.87Å; T338-L381 WeakPolarHBondContact OG1-CB 3.35Å; T338-L381 PolarHBondContact OG1-O 2.81Å; H340-L381 HydrophobicContact CB-CD1 4.28Å; H340-L381 HydrophobicContact CB-CG 4.29Å
382F97.9Very high96.9Very high1 Ų132.1 Ų32.10%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-123.5104.5175.3-65.6-95000108.7L284 V286 F325 P335 P337 I365 L380 M385L284-F382 HydrophobicContact CB-CB 4.3Å; L284-F382 PolarHBondContact N-O 3.3Å; L284-F382 PolarHBondContact O-N 3.3Å; V286-F382 HydrophobicContact CG2-CD2 4.18Å; V286-F382 HydrophobicContact CG2-CE2 3.69Å; F325-F382 AromaticContact CE1-CD1 3.71Å; F325-F382 HydrophobicContact CE1-CD1 3.71Å; F325-F382 HydrophobicContact CE1-CD2 4.12Å; F325-F382 AromaticContact CE1-CE1 3.78Å; F325-F382 HydrophobicContact CE1-CE1 3.78Å; F325-F382 HydrophobicContact CE1-CE2 4.21Å; F325-F382 AromaticContact CE1-CG 3.87Å; F325-F382 HydrophobicContact CE1-CG 3.87Å; F325-F382 HydrophobicContact CE1-CZ 4.03Å; F325-F382 HydrophobicContact CZ-CD1 4.14Å; F325-F382 AromaticContact CZ-CD2 3.69Å; F325-F382 HydrophobicContact CZ-CD2 3.69Å; F325-F382 HydrophobicContact CZ-CE1 4.16Å; F325-F382 AromaticContact CZ-CE2 3.73Å; F325-F382 HydrophobicContact CZ-CE2 3.73Å; F325-F382 AromaticContact CZ-CG 3.89Å; F325-F382 HydrophobicContact CZ-CG 3.89Å; F325-F382 AromaticContact CZ-CZ 3.95Å; F325-F382 HydrophobicContact CZ-CZ 3.95Å; P335-F382 HydrophobicContact CB-CD1 3.74Å; P335-F382 HydrophobicContact CB-CE1 4.26Å; P337-F382 HydrophobicContact CB-CE1 3.85Å; P337-F382 HydrophobicContact CB-CZ 3.81Å; I365-F382 HydrophobicContact CG2-CE1 4.3Å; I365-F382 HydrophobicContact CG2-CZ 4.32Å; L380-F382 HydrophobicContact CB-CE2 3.97Å; F382-M385 HydrophobicContact CB-CG 3.73Å; F382-M385 WeakPolarHBondContact O-CG 3.31Å
383E97.3Very high97.1Very high91 Ų9132.3 Ų32.343%0.42518%0.181SC..  trans-76.1167.2175.9-61.9-178.1155.900110.9T283 M385T283-E383 HydrophobicContact CG2-CG 4.19Å; E383-M385 VanDerWaalsContact C-N 3.25Å; E383-M385 PolarHBondContact O-N 3.15Å
384N97.8Very high97.3Very high49 Ų4932.6 Ų32.626%0.26219%0.187SC..SBendtrans60.427.4178.6-52.5-54.2000115.2S239 D241 A279 S280 Y282 G386S239-N384 VanDerWaalsContact CB-CG 3.47Å; S239-N384 WeakPolarHBondContact CB-OD1 3.48Å; D241-N384 PolarHBondContact OD2-ND2 2.8Å; A279-N384 CarbonylContact O-C 3.56Å; A279-N384 WeakPolarHBondContact O-CA 3.35Å; S280-N384 WeakPolarHBondContact CA-OD1 3.48Å; S280-N384 WeakPolarHBondContact CB-OD1 3.34Å; Y282-N384 PolarHBondContact O-N 2.74Å; N384-G386 VanDerWaalsContact C-N 3.35Å; N384-G386 PolarHBondContact O-N 3.13Å
385M98.5Very high97.4Very high6 Ų635.8 Ų35.83%0.0321%0.207CC..THydrogen-bonded Turntrans-94.627.9-171.5-79.6-66.6-74.400113.9Y39 A279 Y282 L284 F325 P335 F382 E383 T389Y39-M385 HydrophobicContact CE1-CB 3.78Å; Y39-M385 WeakPolarHBondContact CE1-O 3.49Å; Y39-M385 PolarHBondContact OH-O 3.43Å; A279-M385 PolarHBondContact O-N 2.82Å; Y282-M385 PolarHBondContact O-N 2.82Å; L284-M385 HydrophobicContact CB-CB 4.16Å; L284-M385 HydrophobicContact CB-CG 4.28Å; L284-M385 HydrophobicContact CD2-CE 3.95Å; F325-M385 HydrophobicContact CD1-CE 4Å; F325-M385 HydrophobicContact CE1-CE 4Å; F325-M385 HydrophobicContact CG-CE 4.48Å; F325-M385 HydrophobicContact CZ-CE 4.47Å; P335-M385 HydrophobicContact CB-SD 4.15Å; P335-M385 HydrophobicContact CG-SD 4.09Å; F382-M385 HydrophobicContact CB-CG 3.73Å; F382-M385 WeakPolarHBondContact O-CG 3.31Å; E383-M385 VanDerWaalsContact C-N 3.25Å; E383-M385 PolarHBondContact O-N 3.15Å; M385-T389 HydrophobicContact CB-CG2 4.45Å; M385-T389 HydrophobicContact CE-CG2 3.63Å; M385-T389 WeakPolarHBondContact O-CB 3.36Å; M385-T389 VanDerWaalsContact O-CG2 3.31Å; M385-T389 WeakPolarHBondContact O-CG2 3.3Å; M385-T389 PolarHBondContact O-OG1 2.76Å; M385-T389 HydrophobicContact SD-CG2 3.92Å
386G98.3Very high97.6Very high0 Ų035.8 Ų35.80%021%0.205CC..THydrogen-bonded Turntrans-98.5-10.3-173.600000116.5N69 V278 A279 Y282 N384N69-G386 WeakPolarHBondContact CB-O 3.23Å; N69-G386 PolarHBondContact ND2-O 3.09Å; V278-G386 WeakPolarHBondContact CG2-O 3.12Å; V278-G386 WeakPolarHBondContact O-CA 3.32Å; A279-G386 PolarHBondContact O-N 2.85Å; A279-G386 VanDerWaalsContact O-N 3.11Å; Y282-G386 VanDerWaalsContact CB-CA 3.46Å; N384-G386 VanDerWaalsContact C-N 3.35Å; N384-G386 PolarHBondContact O-N 3.13Å
387A98.3Very high97.7Very high6 Ų635 Ų355%0.0520%0.198CC..SBendtrans-113.9125.6-175.700000111.1R275 V278 A279 T389R275-A387 HydrophobicContact CB-CB 3.97Å; R275-A387 HydrophobicContact CG-CB 3.87Å; V278-A387 HydrophobicContact CG2-CB 4.22Å; A279-A387 HydrophobicContact CB-CB 3.98Å; A387-T389 PolarHBondContact O-N 3.4Å
388Y97.9Very high97.8Very high56 Ų5636.5 Ų36.522%0.2221%0.214CC..SBendtrans5733.9177.9-51.3-75.2000114.2C68 R275 N326 C327C68-Y388 HydrophobicContact CB-CE1 4.14Å; C68-Y388 HydrophobicContact CB-CE2 4.47Å; C68-Y388 PolarHBondContact O-N 3.19Å; R275-Y388 HydrophobicContact CB-CE2 4.35Å; N326-Y388 PolarHBondContact OD1-O 3.47Å; C327-Y388 WeakPolarHBondContact CB-O 3.31Å
389T98.6Very high98Very high2 Ų236.8 Ų36.81%0.01221%0.214CC..SBendtrans-108.8-87.5177.650.60000110N326 C327 M385 A387 A391 A392 S393N326-T389 PolarHBondContact ND2-O 3.01Å; C327-T389 HydrophobicContact CB-CG2 4.17Å; M385-T389 HydrophobicContact CB-CG2 4.45Å; M385-T389 HydrophobicContact CE-CG2 3.63Å; M385-T389 WeakPolarHBondContact O-CB 3.36Å; M385-T389 VanDerWaalsContact O-CG2 3.31Å; M385-T389 WeakPolarHBondContact O-CG2 3.3Å; M385-T389 PolarHBondContact O-OG1 2.76Å; M385-T389 HydrophobicContact SD-CG2 3.92Å; A387-T389 PolarHBondContact O-N 3.4Å; T389-A391 PolarHBondContact O-N 2.88Å; T389-A391 VanDerWaalsContact O-N 3.13Å; T389-A392 PolarHBondContact O-N 3.33Å; T389-A392 VanDerWaalsContact O-N 3.13Å; T389-S393 PolarHBondContact O-N 3.33Å; T389-S393 PolarHBondContact O-OG 3.32Å
390V97.9Very high98Very high17 Ų1743 Ų4310%0.10324%0.244CC..G310 helixtrans-57-31.8-178-63.50000113.3Y39 A392 S393 K401 I404Y39-V390 HydrophobicContact CD2-CG1 4.07Å; Y39-V390 HydrophobicContact CE2-CG1 3.45Å; Y39-V390 VanDerWaalsContact CE2-CG1 3.45Å; V390-A392 VanDerWaalsContact C-N 3.29Å; V390-A392 PolarHBondContact O-N 2.96Å; V390-S393 WeakPolarHBondContact CA-OG 3.34Å; V390-S393 PolarHBondContact O-N 3.41Å; V390-K401 PolarHBondContact O-NZ 3.42Å; V390-I404 HydrophobicContact CG1-CD1 4.43Å
391A97.8Very high98.1Very high35 Ų3547.9 Ų47.929%0.28927%0.265SS..G310 helixtrans-62.9-31.8-179.200000113.3T389T389-A391 PolarHBondContact O-N 2.88Å; T389-A391 VanDerWaalsContact O-N 3.13Å
392A97.8Very high98.1Very high54 Ų5448.3 Ų48.345%0.44627%0.268SS..G310 helixtrans-111.76.9-17900000113N326 T389 V390N326-A392 WeakPolarHBondContact OD1-CB 3.44Å; T389-A392 PolarHBondContact O-N 3.33Å; T389-A392 VanDerWaalsContact O-N 3.13Å; V390-A392 VanDerWaalsContact C-N 3.29Å; V390-A392 PolarHBondContact O-N 2.96Å
393S97.5Very high98.1Very high12 Ų1253.5 Ų53.58%0.08430%0.296CS..  trans-69.9139.4178.1-59.70000111.8G323 T389 V390 K401G323-S393 PolarHBondContact O-OG 2.91Å; T389-S393 PolarHBondContact O-N 3.33Å; T389-S393 PolarHBondContact O-OG 3.32Å; V390-S393 WeakPolarHBondContact CA-OG 3.34Å; V390-S393 PolarHBondContact O-N 3.41Å; S393-K401 WeakPolarHBondContact O-CE 3.3Å; S393-K401 PolarHBondContact O-NZ 3.4Å
394S98.3Very high98.1Very high53 Ų5351.3 Ų51.337%0.37129%0.286SS..  trans-108.7179172.976.20000111.2Y322 F396Y322-S394 PolarHBondContact O-N 3.43Å; Y322-S394 PolarHBondContact O-OG 3.38Å; S394-F396 PolarHBondContact OG-N 3.02Å
395T98.5Very high98.1Very high72 Ų7252.4 Ų52.444%0.44229%0.287SS..  trans-115.136.3171.4540000111.3G398 F399 K401T395-G398 WeakPolarHBondContact O-CA 3.3Å; T395-G398 PolarHBondContact O-N 3.17Å; T395-F399 VanDerWaalsContact CA-O 3.32Å; T395-F399 WeakPolarHBondContact CA-O 3.4Å; T395-F399 WeakPolarHBondContact CB-O 3.35Å; T395-K401 HydrophobicContact CG2-CG 4.39Å
396F98.3Very high98.1Very high93 Ų9353.8 Ų53.841%0.40829%0.293SS..G310 helixtrans-55.1141.2177.2-178.4-109.9000111.1Y322 T358 S394 G398Y322-F396 HydrophobicContact CD1-CB 3.9Å; Y322-F396 AromaticContact CD1-CD1 3.76Å; Y322-F396 HydrophobicContact CD1-CD1 3.76Å; Y322-F396 AromaticContact CD1-CG 3.94Å; Y322-F396 HydrophobicContact CD1-CG 3.94Å; Y322-F396 AromaticContact CD2-CD1 3.92Å; Y322-F396 HydrophobicContact CD2-CD1 3.92Å; Y322-F396 HydrophobicContact CD2-CE1 4.44Å; Y322-F396 AromaticContact CE1-CD1 3.9Å; Y322-F396 HydrophobicContact CE1-CD1 3.9Å; Y322-F396 HydrophobicContact CE1-CE1 4.22Å; Y322-F396 HydrophobicContact CE1-CG 4.22Å; Y322-F396 HydrophobicContact CE2-CD1 4.05Å; Y322-F396 HydrophobicContact CE2-CE1 4.14Å; Y322-F396 HydrophobicContact CG-CB 4.1Å; Y322-F396 AromaticContact CG-CD1 3.77Å; Y322-F396 HydrophobicContact CG-CD1 3.77Å; Y322-F396 HydrophobicContact CG-CG 4.25Å; T358-F396 HydrophobicContact CG2-CD1 4.12Å; S394-F396 PolarHBondContact OG-N 3.02Å; F396-G398 PolarHBondContact O-N 2.98Å; F396-G398 VanDerWaalsContact O-N 3.11Å
397N98.3Very high98Very high72 Ų7254 Ų5439%0.38529%0.294SS..G310 helixtrans59.69.2-170.8-71.3-177.5000115.4T358 C359 F399T358-N397 WeakPolarHBondContact CB-OD1 3.13Å; T358-N397 HydrophobicContact CG2-CB 4.41Å; C359-N397 PolarHBondContact N-OD1 3.26Å; N397-F399 HydrophobicContact CB-CD2 3.76Å; N397-F399 HydrophobicContact CB-CE2 3.62Å
398G97.9Very high97.9Very high49 Ų4953.8 Ų53.851%0.50529%0.291SS..G310 helixtrans86.22175.400000114.8T395 F396 Q400T395-G398 WeakPolarHBondContact O-CA 3.3Å; T395-G398 PolarHBondContact O-N 3.17Å; F396-G398 PolarHBondContact O-N 2.98Å; F396-G398 VanDerWaalsContact O-N 3.11Å; G398-Q400 PolarHBondContact O-N 2.9Å; G398-Q400 PolarHBondContact O-NE2 2.98Å
399F98.4Very high97.7Very high84 Ų8452.4 Ų52.437%0.36829%0.29SS..PPolyproline II helixtrans-68130.3173.2-62-72.5000110.2P357 T358 T395 N397P357-F399 HydrophobicContact CB-CD1 4Å; P357-F399 HydrophobicContact CB-CD2 4.3Å; P357-F399 HydrophobicContact CB-CE1 3.74Å; P357-F399 HydrophobicContact CB-CE2 4.06Å; P357-F399 HydrophobicContact CB-CG 4.28Å; P357-F399 HydrophobicContact CB-CZ 3.77Å; P357-F399 HydrophobicContact CG-CD1 4.09Å; P357-F399 HydrophobicContact CG-CD2 4Å; P357-F399 HydrophobicContact CG-CE1 4.31Å; P357-F399 HydrophobicContact CG-CE2 4.23Å; P357-F399 HydrophobicContact CG-CG 3.93Å; P357-F399 HydrophobicContact CG-CZ 4.37Å; P357-F399 VanDerWaalsContact O-CE2 3.31Å; P357-F399 WeakPolarHBondContact O-CE2 3.44Å; P357-F399 WeakPolarHBondContact O-CZ 3.26Å; T358-F399 HydrophobicContact CG2-CD2 4.05Å; T358-F399 HydrophobicContact CG2-CE2 4.23Å; T395-F399 VanDerWaalsContact CA-O 3.32Å; T395-F399 WeakPolarHBondContact CA-O 3.4Å; T395-F399 WeakPolarHBondContact CB-O 3.35Å; N397-F399 HydrophobicContact CB-CD2 3.76Å; N397-F399 HydrophobicContact CB-CE2 3.62Å
400Q98.4Very high97.4Very high147 Ų14758.6 Ų58.669%0.68731%0.313SS*.PPolyproline II helixtrans-81.5159.7-177.4-60.2-53.1-60.600111G398G398-Q400 PolarHBondContact O-N 2.9Å; G398-Q400 PolarHBondContact O-NE2 2.98Å
401K98.4Very high97.2Very high101 Ų10162.4 Ų62.444%0.43934%0.337SS..PPolyproline II helixtrans-71.7141.8174-62.9-172.2178.2-162.40109.5V390 S393 T395V390-K401 PolarHBondContact O-NZ 3.42Å; S393-K401 WeakPolarHBondContact O-CE 3.3Å; S393-K401 PolarHBondContact O-NZ 3.4Å; T395-K401 HydrophobicContact CG2-CG 4.39Å
402P98.3Very high97Very high15 Ų1561 Ų6110%0.09733%0.325CS..PPolyproline II helixtrans-56.7139.9173.6-26.435.1000112.5A37 Y39 L284 D319A37-P402 HydrophobicContact CB-CB 4.2Å; A37-P402 HydrophobicContact CB-CG 3.94Å; A37-P402 WeakPolarHBondContact O-CA 3.48Å; A37-P402 WeakPolarHBondContact O-CB 3.35Å; Y39-P402 HydrophobicContact CD2-CB 3.88Å; Y39-P402 HydrophobicContact CD2-CG 4.49Å; Y39-P402 HydrophobicContact CE2-CB 4.13Å; Y39-P402 HydrophobicContact CE2-CG 4.24Å; L284-P402 HydrophobicContact CD1-CB 4.31Å; L284-P402 HydrophobicContact CD1-CG 4.13Å; D319-P402 VanDerWaalsContact OD2-CG 3.25Å; D319-P402 WeakPolarHBondContact OD2-CG 3.27Å
403D97.3Very high96.8Very high110 Ų11060.4 Ų60.459%0.58831%0.311SS*.EExtended strand (participates in β ladder)trans-65.9148.8171.5-79.2-28.5000110.9F38 Y39 Y405F38-D403 CarbonylContact C-O 3.35Å; F38-D403 WeakPolarHBondContact CA-O 3.29Å; Y39-D403 PolarHBondContact N-O 3.44Å; D403-Y405 HydrophobicContact CB-CE2 4.37Å
404I98.1Very high96.6Very high44 Ų4465.3 Ų65.323%0.22633%0.333CS..EExtended strand (participates in β ladder)trans-114.8114.5-179.8-52.3169.9000109.8Y39 C41 Y282 V390 Y406Y39-I404 HydrophobicContact CD2-CG1 4.24Å; Y39-I404 HydrophobicContact CG-CG1 4.48Å; C41-I404 HydrophobicContact CB-CG2 3.87Å; Y282-I404 HydrophobicContact CE1-CD1 4.3Å; Y282-I404 HydrophobicContact CE1-CG2 3.87Å; V390-I404 HydrophobicContact CG1-CD1 4.43Å; I404-Y406 HydrophobicContact CB-CE2 4.12Å; I404-Y406 HydrophobicContact CG2-CD1 4.13Å; I404-Y406 HydrophobicContact CG2-CD2 4.35Å; I404-Y406 HydrophobicContact CG2-CE1 3.61Å; I404-Y406 HydrophobicContact CG2-CE2 3.87Å; I404-Y406 HydrophobicContact CG2-CG 4.46Å; I404-Y406 VanDerWaalsContact CG2-CZ 3.46Å
405Y97.3Very high96.4Very high73 Ų7364.3 Ų64.329%0.28633%0.326SS..EExtended strand (participates in β ladder)trans-92.6105.1173.7-60.8-77.1000110.1K25 M29 F38 Y39 V40 C41 D403K25-Y405 HydrophobicContact CD-CD1 4.45Å; K25-Y405 HydrophobicContact CD-CD2 4.33Å; K25-Y405 HydrophobicContact CD-CE1 4.34Å; K25-Y405 HydrophobicContact CD-CE2 4.22Å; K25-Y405 HydrophobicContact CD-CG 4.44Å; M29-Y405 HydrophobicContact CE-CE2 4.28Å; F38-Y405 HydrophobicContact CB-CD2 4.05Å; F38-Y405 HydrophobicContact CB-CE2 3.66Å; F38-Y405 AromaticContact CD2-CD2 3.78Å; F38-Y405 HydrophobicContact CD2-CD2 3.78Å; F38-Y405 AromaticContact CD2-CE2 3.96Å; F38-Y405 HydrophobicContact CD2-CE2 3.96Å; F38-Y405 HydrophobicContact CG-CD2 4.2Å; F38-Y405 AromaticContact CG-CE2 3.94Å; F38-Y405 HydrophobicContact CG-CE2 3.94Å; Y39-Y405 WeakPolarHBondContact O-CD2 3.46Å; Y39-Y405 PolarHBondContact O-N 3.23Å; V40-Y405 WeakPolarHBondContact CA-O 3.34Å; C41-Y405 PolarHBondContact N-O 3.08Å; D403-Y405 HydrophobicContact CB-CE2 4.37Å
406Y97.6Very high96.2Very high35 Ų3560.9 Ų60.914%0.13731%0.305CS..EExtended strand (participates in β ladder)trans-81.1134.3176.8-60.8-77.3000111.4F9 T10 C41 L43 S71 T73 I404F9-Y406 CarbonylContact C-O 3.58Å; F9-Y406 WeakPolarHBondContact CA-O 3.27Å; F9-Y406 WeakPolarHBondContact CB-O 3.42Å; T10-Y406 PolarHBondContact N-O 3.44Å; C41-Y406 HydrophobicContact CB-CD1 3.54Å; C41-Y406 HydrophobicContact CB-CE1 3.82Å; C41-Y406 HydrophobicContact CB-CG 4.47Å; C41-Y406 WeakPolarHBondContact O-CA 3.32Å; L43-Y406 HydrophobicContact CD1-CD1 4.47Å; L43-Y406 HydrophobicContact CD2-CD1 4.1Å; L43-Y406 HydrophobicContact CG-CD1 4.36Å; S71-Y406 WeakPolarHBondContact CB-OH 3.43Å; S71-Y406 PolarHBondContact OG-OH 3Å; T73-Y406 HydrophobicContact CG2-CD1 3.83Å; T73-Y406 HydrophobicContact CG2-CD2 4.13Å; T73-Y406 HydrophobicContact CG2-CE1 4.2Å; T73-Y406 HydrophobicContact CG2-CE2 4.46Å; T73-Y406 HydrophobicContact CG2-CG 3.81Å; T73-Y406 WeakPolarHBondContact OG1-CE2 3.37Å; I404-Y406 HydrophobicContact CB-CE2 4.12Å; I404-Y406 HydrophobicContact CG2-CD1 4.13Å; I404-Y406 HydrophobicContact CG2-CD2 4.35Å; I404-Y406 HydrophobicContact CG2-CE1 3.61Å; I404-Y406 HydrophobicContact CG2-CE2 3.87Å; I404-Y406 HydrophobicContact CG2-CG 4.46Å; I404-Y406 VanDerWaalsContact CG2-CZ 3.46Å
407I96.8Very high95.9Very high5 Ų559.9 Ų59.93%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-130.6155175.863.9178.8000111.4T10 L12 A18 I21 V40 C41 D42 L43T10-I407 VanDerWaalsContact O-CA 3.26Å; T10-I407 WeakPolarHBondContact O-CA 3.27Å; L12-I407 HydrophobicContact CD1-CB 4.5Å; L12-I407 HydrophobicContact CD1-CD1 3.93Å; L12-I407 HydrophobicContact CD1-CG1 4.23Å; L12-I407 HydrophobicContact CD2-CD1 3.99Å; L12-I407 HydrophobicContact CG-CB 4.2Å; L12-I407 HydrophobicContact CG-CD1 4.06Å; L12-I407 HydrophobicContact CG-CG1 4.39Å; A18-I407 HydrophobicContact CB-CD1 3.76Å; I21-I407 HydrophobicContact CB-CD1 4.31Å; I21-I407 HydrophobicContact CG1-CD1 4.02Å; I21-I407 HydrophobicContact CG1-CG2 4.42Å; I21-I407 HydrophobicContact CG2-CG2 4.1Å; V40-I407 HydrophobicContact CG1-CD1 3.54Å; V40-I407 HydrophobicContact CG1-CG1 4.11Å; C41-I407 WeakPolarHBondContact O-CG1 3.44Å; C41-I407 PolarHBondContact O-N 3.38Å; D42-I407 HydrophobicContact CB-CD1 4.36Å; D42-I407 HydrophobicContact CB-CG1 4.19Å; L43-I407 WeakPolarHBondContact CB-O 3.1Å; L43-I407 PolarHBondContact N-O 3.2Å
408M95.7Very high95.6Very high0 Ų061.9 Ų61.90%031%0.308CS..EExtended strand (participates in β ladder)trans-153.3141.4174.7-169.3-177.9-74.300110.6F4 F9 T10 F11 L12 L43 T77 A412 W413 I416F4-M408 HydrophobicContact CE1-CE 3.63Å; F4-M408 HydrophobicContact CZ-CE 3.99Å; F9-M408 HydrophobicContact CD2-CB 3.55Å; F9-M408 HydrophobicContact CE2-CB 3.71Å; F9-M408 HydrophobicContact CE2-CG 4.45Å; F9-M408 HydrophobicContact CE2-SD 4.11Å; F9-M408 HydrophobicContact CG-CB 4.42Å; F9-M408 HydrophobicContact CZ-SD 4.32Å; T10-M408 PolarHBondContact O-N 3.09Å; F11-M408 CarbonylContact C-O 3.54Å; F11-M408 VanDerWaalsContact CA-O 3.3Å; F11-M408 WeakPolarHBondContact CA-O 3.43Å; L12-M408 PolarHBondContact N-O 3.41Å; L43-M408 HydrophobicContact CB-CB 4.29Å; L43-M408 HydrophobicContact CB-CE 3.41Å; L43-M408 VanDerWaalsContact CB-CE 3.41Å; L43-M408 HydrophobicContact CB-CG 4.39Å; L43-M408 HydrophobicContact CD1-CE 3.78Å; L43-M408 HydrophobicContact CG-CE 4.26Å; T77-M408 HydrophobicContact CG2-CE 4.45Å; M408-A412 HydrophobicContact CG-CB 3.97Å; M408-W413 HydrophobicContact SD-CB 3.79Å; M408-W413 HydrophobicContact SD-CE3 3.82Å; M408-I416 HydrophobicContact CE-CD1 3.62Å; M408-I416 HydrophobicContact SD-CD1 3.85Å
409S94.9Very high95.3Very high27 Ų2760 Ų6019%0.18929%0.287CS..EExtended strand (participates in β ladder)trans-72.8148.4171.471.10000111.7S44 T411 A412 W413S44-S409 PolarHBondContact OG-N 3.21Å; S44-S409 PolarHBondContact OG-OG 2.97Å; S44-S409 VanDerWaalsContact OG-OG 3.04Å; S409-T411 PolarHBondContact O-N 3.26Å; S409-T411 PolarHBondContact OG-OG1 3.17Å; S409-A412 PolarHBondContact O-N 3.5Å; S409-A412 VanDerWaalsContact OG-CB 3.27Å; S409-A412 WeakPolarHBondContact OG-CB 3.43Å; S409-A412 PolarHBondContact OG-N 2.88Å; S409-W413 PolarHBondContact O-N 3.04Å
410R93Very high94.8Very high132 Ų13258.7 Ų58.750%0.49829%0.287SS..Hα-helixtrans-58-36175.9-65.3-175.1-172.7-78.5-0.8112.4F11 W413 Q414F11-R410 HydrophobicContact CB-CG 4.4Å; F11-R410 HydrophobicContact CD1-CG 3.85Å; F11-R410 HydrophobicContact CE1-CG 4.41Å; F11-R410 HydrophobicContact CG-CG 4.2Å; R410-W413 WeakPolarHBondContact O-CB 3.38Å; R410-W413 PolarHBondContact O-N 2.92Å; R410-Q414 VanDerWaalsContact O-CG 3.29Å; R410-Q414 WeakPolarHBondContact O-CG 3.1Å; R410-Q414 PolarHBondContact O-N 2.79Å
411T93.1Very high94.4Very high98 Ų9855.7 Ų55.760%0.60129%0.287SS*.Hα-helixtrans-65-44.6176.849.60000112.2S409 W413 Q414 C415S409-T411 PolarHBondContact O-N 3.26Å; S409-T411 PolarHBondContact OG-OG1 3.17Å; T411-W413 VanDerWaalsContact C-N 3.34Å; T411-Q414 PolarHBondContact O-N 3.44Å; T411-C415 WeakPolarHBondContact O-CB 3.48Å; T411-C415 PolarHBondContact O-N 3.23Å
412A93.9Very high93.9Very high6 Ų659 Ų595%0.0531%0.305CS..Hα-helixtrans-64.7-41.7176.300000111.3S44 L47 M408 S409 C415 I416S44-A412 WeakPolarHBondContact OG-CB 3.45Å; L47-A412 VanDerWaalsContact CD2-CA 3.47Å; L47-A412 HydrophobicContact CD2-CB 3.53Å; M408-A412 HydrophobicContact CG-CB 3.97Å; S409-A412 PolarHBondContact O-N 3.5Å; S409-A412 VanDerWaalsContact OG-CB 3.27Å; S409-A412 WeakPolarHBondContact OG-CB 3.43Å; S409-A412 PolarHBondContact OG-N 2.88Å; A412-C415 WeakPolarHBondContact O-CB 3.48Å; A412-C415 PolarHBondContact O-N 3Å; A412-I416 WeakPolarHBondContact O-CG1 3.36Å; A412-I416 PolarHBondContact O-N 2.72Å
413W93.8Very high93.3Very high40 Ų4060.1 Ų60.115%0.15232%0.319CS..Hα-helixtrans-57.8-50.2175.3174.6-113.1000112.5F4 F9 F11 M408 S409 R410 T411 C415 I416 Q417F4-W413 HydrophobicContact CB-CH2 3.87Å; F4-W413 HydrophobicContact CB-CZ3 3.8Å; F4-W413 AromaticContact CD1-CE3 3.93Å; F4-W413 HydrophobicContact CD1-CE3 3.93Å; F4-W413 AromaticContact CD1-CH2 3.82Å; F4-W413 HydrophobicContact CD1-CH2 3.82Å; F4-W413 AromaticContact CD1-CZ3 3.14Å; F4-W413 HydrophobicContact CD1-CZ3 3.14Å; F4-W413 HydrophobicContact CE1-CE3 4.38Å; F4-W413 AromaticContact CE1-CZ3 3.99Å; F4-W413 HydrophobicContact CE1-CZ3 3.99Å; F4-W413 HydrophobicContact CG-CH2 4.31Å; F4-W413 AromaticContact CG-CZ3 3.83Å; F4-W413 HydrophobicContact CG-CZ3 3.83Å; F4-W413 WeakPolarHBondContact O-CH2 3.19Å; F9-W413 HydrophobicContact CE1-CE3 4.46Å; F9-W413 HydrophobicContact CE1-CZ3 4.44Å; F9-W413 HydrophobicContact CZ-CD2 4.08Å; F9-W413 AromaticContact CZ-CE3 3.75Å; F9-W413 HydrophobicContact CZ-CE3 3.75Å; F9-W413 HydrophobicContact CZ-CZ3 4.13Å; F11-W413 HydrophobicContact CE1-CB 3.7Å; F11-W413 AromaticContact CE1-CD1 3.8Å; F11-W413 HydrophobicContact CE1-CD2 4.39Å; F11-W413 AromaticContact CE1-CG 3.66Å; F11-W413 HydrophobicContact CE1-CG 3.66Å; F11-W413 HydrophobicContact CZ-CB 4.45Å; F11-W413 AromaticContact CZ-CD1 3.74Å; F11-W413 HydrophobicContact CZ-CD2 4.38Å; F11-W413 AromaticContact CZ-CG 3.92Å; F11-W413 HydrophobicContact CZ-CG 3.92Å; M408-W413 HydrophobicContact SD-CB 3.79Å; M408-W413 HydrophobicContact SD-CE3 3.82Å; S409-W413 PolarHBondContact O-N 3.04Å; R410-W413 WeakPolarHBondContact O-CB 3.38Å; R410-W413 PolarHBondContact O-N 2.92Å; T411-W413 VanDerWaalsContact C-N 3.34Å; W413-C415 VanDerWaalsContact C-N 3.3Å; W413-C415 PolarHBondContact O-N 2.88Å; W413-I416 PolarHBondContact O-N 3.02Å; W413-Q417 HydrophobicContact CD2-CG 4.31Å; W413-Q417 HydrophobicContact CH2-CG 4.3Å; W413-Q417 HydrophobicContact CZ2-CG 3.98Å; W413-Q417 VanDerWaalsContact CZ3-NE2 3.27Å; W413-Q417 WeakPolarHBondContact O-CG 3.34Å; W413-Q417 PolarHBondContact O-N 3.5Å
414Q93.1Very high92.6Very high116 Ų11658 Ų5854%0.54231%0.306SS..Hα-helixtrans-59.3-41.4176.2-73.4169.3-12.400111.9R410 T411 Q417 Q418R410-Q414 VanDerWaalsContact O-CG 3.29Å; R410-Q414 WeakPolarHBondContact O-CG 3.1Å; R410-Q414 PolarHBondContact O-N 2.79Å; T411-Q414 PolarHBondContact O-N 3.44Å; Q414-Q417 PolarHBondContact O-N 3.47Å; Q414-Q418 WeakPolarHBondContact O-CG 3.39Å; Q414-Q418 PolarHBondContact O-N 3.03Å
415C94Very high91.4Very high32 Ų3259.5 Ų59.522%0.21632%0.319CS..Hα-helixtrans-61.8-45.1176.2-175.20000111.8L47 T411 A412 W413 Q417 Q418 I419L47-C415 HydrophobicContact CD2-CB 3.89Å; T411-C415 WeakPolarHBondContact O-CB 3.48Å; T411-C415 PolarHBondContact O-N 3.23Å; A412-C415 WeakPolarHBondContact O-CB 3.48Å; A412-C415 PolarHBondContact O-N 3Å; W413-C415 VanDerWaalsContact C-N 3.3Å; W413-C415 PolarHBondContact O-N 2.88Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.18Å; C415-Q418 WeakPolarHBondContact O-CB 3.42Å; C415-Q418 PolarHBondContact O-N 3.42Å; C415-I419 WeakPolarHBondContact O-CG1 3.47Å; C415-I419 PolarHBondContact O-N 2.61Å
416I93.8Very high89.8Confident0 Ų061.3 Ų61.30%034%0.338CS..Hα-helixtrans-60.9-42.5175.7-69.6165.3000110.9L47 T77 L81 M408 A412 W413 Q418 I419 C420L47-I416 HydrophobicContact CD1-CG1 4.25Å; L47-I416 HydrophobicContact CD2-CG1 4.41Å; T77-I416 HydrophobicContact CG2-CD1 4.06Å; L81-I416 HydrophobicContact CD2-CG1 3.86Å; L81-I416 HydrophobicContact CG-CG1 4.45Å; M408-I416 HydrophobicContact CE-CD1 3.62Å; M408-I416 HydrophobicContact SD-CD1 3.85Å; A412-I416 WeakPolarHBondContact O-CG1 3.36Å; A412-I416 PolarHBondContact O-N 2.72Å; W413-I416 PolarHBondContact O-N 3.02Å; I416-Q418 VanDerWaalsContact C-N 3.33Å; I416-Q418 PolarHBondContact O-N 2.83Å; I416-I419 PolarHBondContact O-N 2.89Å; I416-C420 WeakPolarHBondContact O-CB 3.44Å; I416-C420 PolarHBondContact O-N 3.4Å; I416-C420 PolarHBondContact O-SG 3.34Å
417Q92.1Very high87.6Confident71 Ų7164.9 Ų64.933%0.33237%0.365SS..Hα-helixtrans-62.4-40.6176.7-68.2-54.4-62.100112.1W413 Q414 C415 C420 A421W413-Q417 HydrophobicContact CD2-CG 4.31Å; W413-Q417 HydrophobicContact CH2-CG 4.3Å; W413-Q417 HydrophobicContact CZ2-CG 3.98Å; W413-Q417 VanDerWaalsContact CZ3-NE2 3.27Å; W413-Q417 WeakPolarHBondContact O-CG 3.34Å; W413-Q417 PolarHBondContact O-N 3.5Å; Q414-Q417 PolarHBondContact O-N 3.47Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.18Å; Q417-C420 PolarHBondContact O-N 3.18Å; Q417-A421 WeakPolarHBondContact O-CB 3.15Å; Q417-A421 PolarHBondContact O-N 3.05Å
418Q92.2Very high85Confident114 Ų11469.8 Ų69.853%0.53340%0.395SS..Hα-helixtrans-62.9-46.6174.5-72.3170.1-9.500111.3Q414 C415 I416 C420 A421 Q422Q414-Q418 WeakPolarHBondContact O-CG 3.39Å; Q414-Q418 PolarHBondContact O-N 3.03Å; C415-Q418 WeakPolarHBondContact O-CB 3.42Å; C415-Q418 PolarHBondContact O-N 3.42Å; I416-Q418 VanDerWaalsContact C-N 3.33Å; I416-Q418 PolarHBondContact O-N 2.83Å; Q418-C420 VanDerWaalsContact C-N 3.32Å; Q418-C420 PolarHBondContact O-N 3.18Å; Q418-A421 PolarHBondContact O-N 2.74Å; Q418-A421 VanDerWaalsContact O-N 3.14Å; Q418-Q422 WeakPolarHBondContact O-CB 3.42Å; Q418-Q422 PolarHBondContact O-N 3.17Å
419I91.8Very high82.2Confident10 Ų1078.9 Ų78.95%0.05144%0.437CS..Hα-helixtrans-60.6-41.8176.9-68.2163.5000111L47 M51 L81 C415 I416 A421 G423 M424L47-I419 HydrophobicContact CD1-CD1 4Å; M51-I419 HydrophobicContact SD-CD1 4.25Å; L81-I419 HydrophobicContact CD2-CD1 3.78Å; C415-I419 WeakPolarHBondContact O-CG1 3.47Å; C415-I419 PolarHBondContact O-N 2.61Å; I416-I419 PolarHBondContact O-N 2.89Å; I419-A421 VanDerWaalsContact C-N 3.31Å; I419-A421 PolarHBondContact O-N 2.85Å; I419-G423 WeakPolarHBondContact CA-O 3.18Å; I419-G423 CarbonylContact O-C 3.22Å; I419-G423 WeakPolarHBondContact O-CA 3.39Å; I419-G423 PolarHBondContact O-N 2.91Å; I419-M424 HydrophobicContact CD1-SD 3.69Å; I419-M424 HydrophobicContact CG1-SD 3.93Å; I419-M424 HydrophobicContact CG2-CG 4.16Å; I419-M424 HydrophobicContact CG2-SD 3.8Å
420C88.4Confident79.3Confident56 Ų5683.6 Ų83.638%0.37846%0.46SS..Hα-helixtrans-61.2-40.1175.9-71.20000112.3S80 I416 Q417 Q418S80-C420 PolarHBondContact O-SG 2.84Å; I416-C420 WeakPolarHBondContact O-CB 3.44Å; I416-C420 PolarHBondContact O-N 3.4Å; I416-C420 PolarHBondContact O-SG 3.34Å; Q417-C420 PolarHBondContact O-N 3.18Å; Q418-C420 VanDerWaalsContact C-N 3.32Å; Q418-C420 PolarHBondContact O-N 3.18Å
421A88.4Confident76.5Confident84 Ų8482.8 Ų82.869%0.69448%0.482SS*.Hα-helixtrans-82.7-35.1-174.500000113.4Q417 Q418 I419Q417-A421 WeakPolarHBondContact O-CB 3.15Å; Q417-A421 PolarHBondContact O-N 3.05Å; Q418-A421 PolarHBondContact O-N 2.74Å; Q418-A421 VanDerWaalsContact O-N 3.14Å; I419-A421 VanDerWaalsContact C-N 3.31Å; I419-A421 PolarHBondContact O-N 2.85Å
422Q89.2Confident73.7Confident171 Ų17181.7 Ų81.780%0.79948%0.479SS*.Hα-helixtrans-121.3-6.9-167.2-59.4177.47.300113.3Q418Q418-Q422 WeakPolarHBondContact O-CB 3.42Å; Q418-Q422 PolarHBondContact O-N 3.17Å
423G85.6Confident70.7Confident38 Ų3887.5 Ų87.539%0.39252%0.517SS..  trans81.7176.6-169.200000112.3I419I419-G423 WeakPolarHBondContact CA-O 3.18Å; I419-G423 CarbonylContact O-C 3.22Å; I419-G423 WeakPolarHBondContact O-CA 3.39Å; I419-G423 PolarHBondContact O-N 2.91Å
424M82.3Confident67.9Low65 Ų6592.2 Ų92.232%0.3255%0.55SS.*SBendtrans-63.3132.9176.9-77.7-69.6-72.600110.5M51 A54 I419 T426M51-M424 HydrophobicContact CE-CE 4.46Å; M51-M424 HydrophobicContact SD-CE 3.59Å; M51-M424 VanDerWaalsContact SD-CE 3.59Å; M51-M424 HydrophobicContact SD-SD 4.24Å; A54-M424 HydrophobicContact CB-CE 3.73Å; I419-M424 HydrophobicContact CD1-SD 3.69Å; I419-M424 HydrophobicContact CG1-SD 3.93Å; I419-M424 HydrophobicContact CG2-CG 4.16Å; I419-M424 HydrophobicContact CG2-SD 3.8Å; M424-T426 PolarHBondContact O-N 3.37Å
425P73.3Confident64.8Low77 Ų7792.7 Ų92.750%0.556%0.561SS.*PPolyproline II helixtrans-62.3134.7174.824.6-31.3000109.8M51M51-P425 HydrophobicContact CE-CG 4.14Å
426T62Low61.9Low111 Ų11197 Ų9768%0.68159%0.592SS**PPolyproline II helixtrans-57.9134.4171.540.70000109.4M424 V428M424-T426 PolarHBondContact O-N 3.37Å; T426-V428 VanDerWaalsContact C-N 3.3Å; T426-V428 PolarHBondContact O-N 3.13Å
427P52.3Low58.8Low109 Ų109102.2 Ų102.271%0.70863%0.628SS**  trans-6594.3172.6-11.625.5000108.5
428V43.2Very low55.8Low109 Ų109104.8 Ų104.866%0.66165%0.653SS**  trans-108.9143.4167.6-174.10000107T426 D430T426-V428 VanDerWaalsContact C-N 3.3Å; T426-V428 PolarHBondContact O-N 3.13Å; V428-D430 VanDerWaalsContact C-N 3.27Å; V428-D430 PolarHBondContact O-N 2.88Å
429E36.3Very low52.6Low190 Ų190103.3 Ų103.389%0.88867%0.668SS**SBendtrans-50.174.9-179.2-61.7175148.500113.7
430D33.6Very low49.6Very low126 Ų126111.7 Ų111.767%0.67471%0.706SS**  trans-144.983.3168.2-103.6-39.6000109.8V428 S432V428-D430 VanDerWaalsContact C-N 3.27Å; V428-D430 PolarHBondContact O-N 2.88Å; D430-S432 PolarHBondContact O-N 3.35Å; D430-S432 PolarHBondContact OD1-OG 3.27Å
431A34.9Very low46.6Very low115 Ų115117.9 Ų117.995%0.9573%0.73SS**THydrogen-bonded Turntrans-72.145.2168.100000111.7
432S32.7Very low43.7Very low76 Ų76118.7 Ų118.753%0.53173%0.73SS.*THydrogen-bonded Turntrans-121.7-6.1-17659.70000114.1D430D430-S432 PolarHBondContact O-N 3.35Å; D430-S432 PolarHBondContact OD1-OG 3.27Å
433C30.9Very low40.7Very low128 Ų128115.9 Ų115.987%0.86573%0.729SS**SBendtrans-95.19.1179.2-107.40000116
434V36Very low37.8Very low138 Ų138121.5 Ų121.584%0.83675%0.75SS**SBendtrans-133.483.4165.3-168.30000107.9S436V434-S436 PolarHBondContact O-N 3.48Å
435T28.3Very low35.2Very low127 Ų127124.8 Ų124.878%0.77977%0.773SS**  trans-64.5119.9167.8400000108.7S437T435-S437 PolarHBondContact O-N 2.91Å
436S32.5Very low32.9Very low122 Ų122128.5 Ų128.585%0.85379%0.788SS**  trans-62.9116.716643.60000109.3V434V434-S436 PolarHBondContact O-N 3.48Å
437S29.6Very low31.3Very low109 Ų109128.8 Ų128.876%0.76279%0.792SS**  trans-112.9136.5158.759.40000109.3T435T435-S437 PolarHBondContact O-N 2.91Å
438C27.4Very low30.1Very low126 Ų126130.2 Ų130.285%0.85180%0.799SS**  trans80.463.8175.7-58.20000117.2
439G26.3Very low29.4Very low82 Ų82134.7 Ų134.785%0.84581%0.809SS**  trans-80.4110147.700000109.7
440H28.4Very low29Very low186 Ų186131.3 Ų131.386%0.86181%0.806SS**  trans-82.1117.3162.1-104-64.2000108.1S442H440-S442 PolarHBondContact O-N 3.09Å
441E26.1Very low28.7Very low186 Ų186131 Ų13187%0.86981%0.814SS**  trans-62.2113.2163.5-75.5179.4144.900109
442S26.9Very low28.4Very low101 Ų101134.4 Ų134.471%0.70681%0.81SS**  trans-107.295.6159.964.30000108.4H440 L444H440-S442 PolarHBondContact O-N 3.09Å; S442-L444 PolarHBondContact O-N 3.22Å; S442-L444 VanDerWaalsContact O-N 3.09Å
443S25.8Very low28.1Very low112 Ų112136.8 Ų136.878%0.78382%0.822SS**  trans-63.9102.5168-58.20000109.5
444L25.7Very low27.9Very low156 Ų156137.1 Ų137.182%0.81782%0.824SS**  trans-110.6101.2164.7-84.4164000108.7S442 L446S442-L444 PolarHBondContact O-N 3.22Å; S442-L444 VanDerWaalsContact O-N 3.09Å; L444-L446 PolarHBondContact O-N 3.09Å
445V26.1Very low27.5Very low134 Ų134136.3 Ų136.381%0.81282%0.819SS**  trans-71.2113.1167.81750000107.7
446L25.8Very low27.8Very low155 Ų155141.7 Ų141.781%0.81284%0.842SS**PPolyproline II helixtrans-81.6127167.9-76.2164.3000109.4L444 T448L444-L446 PolarHBondContact O-N 3.09Å; L446-T448 PolarHBondContact O-N 3.44Å
447P27.7Very low27.6Very low117 Ų117142.7 Ų142.776%0.7684%0.841SS**PPolyproline II helixtrans-76.7121.8169.227.9-28.4000110.2K449P447-K449 PolarHBondContact O-N 3.4Å
448T27.8Very low27.5Very low140 Ų140144.4 Ų144.486%0.85985%0.846SS**PPolyproline II helixtrans-67.5121.3166.238.40000110L446L446-T448 PolarHBondContact O-N 3.44Å
449K28.2Very low27.5Very low203 Ų203145.4 Ų145.488%0.88385%0.845SS**  trans-128.7121.8156.9-86.6-171177.8179.10110P447P447-K449 PolarHBondContact O-N 3.4Å
450S29Very low27.6Very low118 Ų118149.2 Ų149.283%0.82585%0.845SS**  trans-59.9123.6170.749.70000111.7
451S27.1Very low27.5Very low120 Ų120146.9 Ų146.984%0.83984%0.844SS**  trans-95.3105160.557.20000109
452Q28.8Very low27.6Very low186 Ų186144.3 Ų144.387%0.86984%0.843SS**  trans-72.8136.2162.2-87.9178-22.600109.9
453T26.5Very low27.7Very low127 Ų127147.4 Ų147.478%0.77985%0.852SS**  trans-42.9132162.9-27.50000112.4
454C25.2Very low27.8Very low134 Ų134150.1 Ų150.191%0.90586%0.858SS**  trans-143.2133.2146.2-121.70000110.9
455V28.1Very low28Very low121 Ų121149.6 Ų149.673%0.73386%0.861SS**  trans-87.8128.7-177.9173.50000107.8
456L35.8Very low28.2Very low240 Ų240151 Ų151100%1.25787%0.866SS**  175.30125.9-92.7169.7000109.8

Retrieved 456 of 456 residues in 2228.7 ms (Link to these results)

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