A0A087XIJ1_POEFO Loading...

Dimethylarginine dimethylaminohydrolase 1

AlphaFold DB , UniProt , Accession A0A087XIJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 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
1M37.9Very low64.8Low214 Ų21471.1 Ų71.1100%1.05446%0.456SS*.  0-26.40-71.1-122.8-14700114.3G3M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.38Å
2A31.1Very low67.4Low99 Ų9968.3 Ų68.382%0.81844%0.437SS*.THydrogen-bonded Turntrans-72.9-13.4177.700000115.5
3G38.6Very low69.7Low62 Ų6266.8 Ų66.864%0.63942%0.421SS*.THydrogen-bonded Turntrans-82.9-26.5-176.200000115.8M1 M5 A6M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.38Å; G3-M5 VanDerWaalsContact C-N 3.32Å; G3-M5 PolarHBondContact O-N 3.04Å; G3-A6 WeakPolarHBondContact O-CB 3Å; G3-A6 PolarHBondContact O-N 3.46Å
4L48.8Very low71.8Confident119 Ų11962.1 Ų62.162%0.62339%0.391SS*.THydrogen-bonded Turntrans-70.2-25.5-174.8-102.1133.6000113.6
5M58.2Low73.6Confident31 Ų3157.9 Ų57.915%0.15337%0.365CS..THydrogen-bonded Turntrans-92.4-8.4178.2-63.6-120.588.200113.5G3 G7 F8 T131 R133 P180G3-M5 VanDerWaalsContact C-N 3.32Å; G3-M5 PolarHBondContact O-N 3.04Å; M5-G7 PolarHBondContact O-N 3.38Å; M5-F8 HydrophobicContact CE-CB 3.97Å; M5-F8 HydrophobicContact CE-CD1 4.35Å; M5-F8 HydrophobicContact CE-CG 4.01Å; M5-F8 PolarHBondContact O-N 3.32Å; M5-T131 WeakPolarHBondContact CE-O 3.29Å; M5-R133 HydrophobicContact CE-CG 4.03Å; M5-R133 HydrophobicContact SD-CG 4.4Å; M5-R133 PolarHBondContact SD-NE 3.32Å; M5-R133 PolarHBondContact SD-NH2 3.01Å; M5-P180 HydrophobicContact CE-CB 4.3Å; M5-P180 HydrophobicContact SD-CB 4Å
6A54.4Low75.2Confident84 Ų8454.3 Ų54.369%0.69434%0.342SS*.THydrogen-bonded Turntrans-67-7.2-172.900000114G3G3-A6 WeakPolarHBondContact O-CB 3Å; G3-A6 PolarHBondContact O-N 3.46Å
7G72.3Confident76.5Confident45 Ų4551.5 Ų51.546%0.46432%0.324SS..THydrogen-bonded Turntrans-13010.717400000114.9M5 G9 H10M5-G7 PolarHBondContact O-N 3.38Å; G7-G9 PolarHBondContact O-N 3.39Å; G7-H10 VanDerWaalsContact O-CB 3.29Å; G7-H10 WeakPolarHBondContact O-CB 3.25Å; G7-H10 PolarHBondContact O-N 3.37Å; G7-H10 VanDerWaalsContact O-N 3.11Å
8F89.4Confident77.8Confident14 Ų1449.4 Ų49.46%0.06131%0.313CS..THydrogen-bonded Turntrans-63.3132.7-178.7178.6-107.7000111.2M5 H10 F130 G132 M177 P180 Y221 N223M5-F8 HydrophobicContact CE-CB 3.97Å; M5-F8 HydrophobicContact CE-CD1 4.35Å; M5-F8 HydrophobicContact CE-CG 4.01Å; M5-F8 PolarHBondContact O-N 3.32Å; F8-H10 PolarHBondContact O-N 2.58Å; F8-F130 HydrophobicContact CE2-CD1 4.29Å; F8-F130 HydrophobicContact CE2-CE1 4.47Å; F8-G132 VanDerWaalsContact CE2-N 3.33Å; F8-M177 HydrophobicContact CE1-CB 4.17Å; F8-M177 HydrophobicContact CE1-CE 4.17Å; F8-M177 HydrophobicContact CE1-CG 4.48Å; F8-M177 HydrophobicContact CZ-CB 3.91Å; F8-M177 HydrophobicContact CZ-CE 4.17Å; F8-M177 HydrophobicContact CZ-CG 3.87Å; F8-P180 HydrophobicContact CD1-CB 4.29Å; F8-P180 HydrophobicContact CD1-CG 4.23Å; F8-Y221 HydrophobicContact CD1-CD1 4.08Å; F8-Y221 AromaticContact CD1-CE1 3.71Å; F8-Y221 HydrophobicContact CD1-CE1 3.71Å; F8-Y221 AromaticContact CE1-CD1 3.69Å; F8-Y221 HydrophobicContact CE1-CD1 3.69Å; F8-Y221 AromaticContact CE1-CE1 3.83Å; F8-Y221 HydrophobicContact CE1-CE1 3.83Å; F8-N223 WeakPolarHBondContact O-CB 3.4Å
9G91.8Very high78.8Confident3 Ų347.3 Ų47.33%0.03130%0.299CS..THydrogen-bonded Turntrans75.15.4-177.100000114.5G7 Y11 M222 N223G7-G9 PolarHBondContact O-N 3.39Å; G9-Y11 WeakPolarHBondContact O-CD2 3.37Å; G9-Y11 WeakPolarHBondContact O-CE2 3.38Å; G9-Y11 PolarHBondContact O-N 3.24Å; G9-M222 CarbonylContact O-C 3.52Å; G9-M222 VanDerWaalsContact O-CA 3.27Å; G9-M222 WeakPolarHBondContact O-CA 3.45Å; G9-N223 PolarHBondContact O-N 3.41Å
10H94.4Very high79.8Confident63 Ų6345 Ų4529%0.29228%0.284SS..  trans-75.7115.1174.4-178.368000110.4G7 F8 N223 S277G7-H10 VanDerWaalsContact O-CB 3.29Å; G7-H10 WeakPolarHBondContact O-CB 3.25Å; G7-H10 PolarHBondContact O-N 3.37Å; G7-H10 VanDerWaalsContact O-N 3.11Å; F8-H10 PolarHBondContact O-N 2.58Å; H10-N223 WeakPolarHBondContact CA-O 3.47Å; H10-N223 PolarHBondContact ND1-O 2.56Å; H10-S277 VanDerWaalsContact O-CB 3.3Å; H10-S277 WeakPolarHBondContact O-CB 3.5Å; H10-S277 PolarHBondContact O-OG 3.27Å
11Y95.7Very high80.7Confident48 Ų4844.9 Ų44.919%0.18829%0.288CS..  trans-127.3153.5179.2-54.7-70.5000111.4G9 L57 M222 L275 S277G9-Y11 WeakPolarHBondContact O-CD2 3.37Å; G9-Y11 WeakPolarHBondContact O-CE2 3.38Å; G9-Y11 PolarHBondContact O-N 3.24Å; Y11-L57 VanDerWaalsContact O-CD2 3.29Å; Y11-L57 WeakPolarHBondContact O-CD2 3.5Å; Y11-M222 HydrophobicContact CD2-CB 4.24Å; Y11-M222 HydrophobicContact CD2-CG 3.77Å; Y11-M222 HydrophobicContact CD2-SD 4.47Å; Y11-M222 HydrophobicContact CE2-CG 4.12Å; Y11-L275 HydrophobicContact CD1-CB 3.56Å; Y11-L275 HydrophobicContact CD2-CB 3.99Å; Y11-L275 HydrophobicContact CD2-CD1 3.73Å; Y11-L275 HydrophobicContact CD2-CG 4.4Å; Y11-L275 HydrophobicContact CE1-CB 3.66Å; Y11-L275 HydrophobicContact CE2-CB 4.07Å; Y11-L275 HydrophobicContact CE2-CD1 3.56Å; Y11-L275 HydrophobicContact CE2-CG 4.46Å; Y11-L275 HydrophobicContact CG-CB 3.72Å; Y11-L275 HydrophobicContact CG-CD1 4.31Å; Y11-S277 WeakPolarHBondContact CD1-OG 3.42Å
12T95.9Very high83.6Confident37 Ų3735.2 Ų35.223%0.22724%0.241CC..SBendtrans-120.8-31-178.656.40000111.6L57 G58 I276 K278T12-L57 WeakPolarHBondContact O-CA 3.4Å; T12-G58 PolarHBondContact O-N 3.1Å; T12-I276 PolarHBondContact N-O 3.26Å; T12-I276 PolarHBondContact OG1-O 2.77Å; T12-I276 VanDerWaalsContact OG1-O 3.05Å; T12-K278 PolarHBondContact OG1-N 3.17Å
13H98Very high86.8Confident50 Ų5030.5 Ų30.523%0.23120%0.202CC..EExtended strand (participates in β ladder)trans-133.4156.4-177.3-63.774.9000110.7G58 I276H13-G58 CarbonylContact C-O 3.53Å; H13-G58 WeakPolarHBondContact CA-O 3.31Å; H13-G58 WeakPolarHBondContact CB-O 3.46Å; H13-I276 HydrophobicContact CB-CB 4.25Å; H13-I276 PolarHBondContact N-O 3.03Å; H13-I276 VanDerWaalsContact N-O 3.09Å; H13-I276 PolarHBondContact O-N 3.42Å
14A98.5Very high89.6Confident0 Ų028.5 Ų28.50%018%0.18CC..EExtended strand (participates in β ladder)trans-135.1134.7169.200000109.1L51 L57 G58 V59 V60 V274 L275A14-L51 HydrophobicContact CB-CD1 3.92Å; A14-L57 HydrophobicContact CB-CD1 4.25Å; A14-G58 PolarHBondContact N-O 3.03Å; A14-V59 WeakPolarHBondContact O-CA 3.29Å; A14-V60 PolarHBondContact O-N 2.94Å; A14-V274 CarbonylContact C-O 3.48Å; A14-V274 WeakPolarHBondContact CA-O 3.24Å; A14-L275 HydrophobicContact CB-CD2 3.81Å
15V98.8Very high91.8Very high0 Ų031.3 Ų31.30%019%0.187CC..EExtended strand (participates in β ladder)trans-96.6129.4166.7-174.60000107.8V60 L62 M102 A105 L106 L109 S273 V274 I276V15-V60 WeakPolarHBondContact CA-O 3.31Å; V15-V60 HydrophobicContact CG2-CB 4.27Å; V15-L62 HydrophobicContact CG1-CD1 3.68Å; V15-L62 HydrophobicContact CG1-CG 3.9Å; V15-M102 HydrophobicContact CB-CE 4.37Å; V15-M102 HydrophobicContact CB-SD 4.47Å; V15-M102 HydrophobicContact CG1-CE 3.82Å; V15-M102 HydrophobicContact CG1-SD 4.1Å; V15-A105 HydrophobicContact CG1-CB 4.48Å; V15-L106 HydrophobicContact CG2-CD2 3.99Å; V15-L109 HydrophobicContact CG2-CD1 3.84Å; V15-S273 CarbonylContact O-C 3.56Å; V15-S273 VanDerWaalsContact O-CA 3.27Å; V15-S273 WeakPolarHBondContact O-CA 3.4Å; V15-V274 HydrophobicContact CB-CB 4.4Å; V15-V274 PolarHBondContact N-O 2.82Å; V15-V274 PolarHBondContact O-N 3.01Å; V15-I276 HydrophobicContact CG2-CD1 3.79Å
16V98.8Very high93.6Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-130.1167.9176.2-57.50000108.8Y47 V48 L51 V59 V60 E61 L62 C272V16-Y47 HydrophobicContact CG1-CE1 4.47Å; V16-V48 HydrophobicContact CB-CG2 4.26Å; V16-V48 HydrophobicContact CG1-CG2 4.3Å; V16-V48 HydrophobicContact CG2-CG2 3.88Å; V16-L51 HydrophobicContact CG1-CD1 4.07Å; V16-V59 HydrophobicContact CG1-CG1 4.34Å; V16-V59 HydrophobicContact CG2-CG1 3.63Å; V16-V60 PolarHBondContact N-O 3.07Å; V16-E61 HydrophobicContact CG2-CB 3.96Å; V16-E61 HydrophobicContact CG2-CG 4Å; V16-L62 PolarHBondContact O-N 3.11Å; V16-C272 WeakPolarHBondContact CG1-O 3.23Å
17R98.7Very high95.7Very high7 Ų732 Ų323%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-142.7137.7178.8-172.2155-175.8-164.72.2111.7H44 L62 P63 C71 V72 V74R17-H44 PolarHBondContact O-NE2 3.36Å; R17-L62 WeakPolarHBondContact CA-O 3.4Å; R17-L62 HydrophobicContact CB-CB 3.95Å; R17-L62 HydrophobicContact CG-CB 3.75Å; R17-P63 PolarHBondContact NE-O 2.87Å; R17-C71 WeakPolarHBondContact CB-O 3.04Å; R17-C71 WeakPolarHBondContact CD-O 3.44Å; R17-C71 HydrophobicContact CG-CB 4.44Å; R17-C71 WeakPolarHBondContact CG-O 3.44Å; R17-V72 WeakPolarHBondContact O-CG2 3.5Å; R17-V74 HydrophobicContact CB-CG1 3.39Å
18G98.3Very high96.8Very high13 Ų1332.9 Ų32.913%0.13417%0.17CC..PPolyproline II helixtrans-62.3157.5-17800000113.8P20 L62 A64G18-P20 WeakPolarHBondContact O-CD 3.38Å; G18-L62 PolarHBondContact N-O 3.31Å; G18-A64 WeakPolarHBondContact O-CB 3.4Å
19I98.6Very high97Very high10 Ų1036.3 Ų36.35%0.05118%0.182CC..PPolyproline II helixtrans-88.4116.4-178.9-68.1173.2000111.4L23 L37 A40 R41 H44 V72 K262I19-L23 HydrophobicContact CG2-CB 4.11Å; I19-L23 HydrophobicContact CG2-CD1 3.96Å; I19-L23 HydrophobicContact CG2-CG 4.44Å; I19-L37 HydrophobicContact CG2-CD1 3.73Å; I19-A40 HydrophobicContact CD1-CB 4.21Å; I19-A40 VanDerWaalsContact CD1-O 3.27Å; I19-A40 WeakPolarHBondContact CD1-O 3.48Å; I19-R41 HydrophobicContact CB-CG 4.1Å; I19-R41 HydrophobicContact CG2-CG 4.26Å; I19-R41 PolarHBondContact O-NE 3.46Å; I19-R41 PolarHBondContact O-NH2 3.32Å; I19-R41 VanDerWaalsContact O-NH2 3.15Å; I19-H44 HydrophobicContact CD1-CB 3.54Å; I19-H44 HydrophobicContact CG1-CB 4.36Å; I19-V72 HydrophobicContact CD1-CG2 4.29Å; I19-V72 HydrophobicContact CG1-CB 3.89Å; I19-V72 HydrophobicContact CG1-CG1 4.35Å; I19-V72 HydrophobicContact CG1-CG2 3.63Å; I19-K262 HydrophobicContact CD1-CD 4.17Å
20P98.4Very high96.9Very high0 Ų041.8 Ų41.80%022%0.216CC..PPolyproline II helixtrans-71.1153.9173.631.3-33.3000110.5G18 S22 L23 A64 E66G18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-S22 PolarHBondContact O-N 3.44Å; P20-L23 HydrophobicContact CG-CB 4.26Å; P20-L23 VanDerWaalsContact O-CB 3.32Å; P20-L23 WeakPolarHBondContact O-CB 3.47Å; P20-L23 PolarHBondContact O-N 3.02Å; P20-A64 HydrophobicContact CB-CB 4.23Å; P20-E66 WeakPolarHBondContact CA-OE1 3.42Å
21A98.2Very high96.6Very high44 Ų4441.2 Ų41.236%0.36422%0.219SC..THydrogen-bonded Turntrans-65.2-30.9174.700000112L23 L37 E66A21-L23 PolarHBondContact O-N 3.49Å; A21-L37 HydrophobicContact CB-CD2 3.91Å; A21-E66 VanDerWaalsContact N-CD 3.3Å; A21-E66 PolarHBondContact N-OE1 3.28Å; A21-E66 PolarHBondContact N-OE2 3.41Å
22S98.3Very high96.2Very high10 Ų1048.3 Ų48.37%0.0725%0.253CS..THydrogen-bonded Turntrans-60.3-22.3175.461.40000113.7P20 A24 K25 E26 E66 P69P20-S22 PolarHBondContact O-N 3.44Å; S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 2.94Å; S22-K25 PolarHBondContact O-N 3.06Å; S22-K25 VanDerWaalsContact O-N 3.14Å; S22-E26 WeakPolarHBondContact O-CB 3.38Å; S22-E26 PolarHBondContact O-N 3.07Å; S22-E66 WeakPolarHBondContact CB-O 3.37Å; S22-E66 PolarHBondContact N-OE2 3.21Å; S22-E66 PolarHBondContact OG-O 3.24Å; S22-P69 WeakPolarHBondContact OG-CA 3.48Å
23L98.3Very high96.1Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-50-47.8178.5-178.1145.7000112.4I19 P20 A21 K25 A27 V35 P69 V72 V265I19-L23 HydrophobicContact CG2-CB 4.11Å; I19-L23 HydrophobicContact CG2-CD1 3.96Å; I19-L23 HydrophobicContact CG2-CG 4.44Å; P20-L23 HydrophobicContact CG-CB 4.26Å; P20-L23 VanDerWaalsContact O-CB 3.32Å; P20-L23 WeakPolarHBondContact O-CB 3.47Å; P20-L23 PolarHBondContact O-N 3.02Å; A21-L23 PolarHBondContact O-N 3.49Å; L23-K25 PolarHBondContact O-N 3.46Å; L23-K25 VanDerWaalsContact O-N 3.15Å; L23-A27 HydrophobicContact CG-CB 4.05Å; L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 2.83Å; L23-V35 HydrophobicContact CD2-CG1 3.88Å; L23-P69 WeakPolarHBondContact CA-O 3.32Å; L23-P69 WeakPolarHBondContact CB-O 3.41Å; L23-V72 HydrophobicContact CD1-CG1 3.5Å; L23-V265 HydrophobicContact CD2-CG2 4.27Å
24A97.1Very high96Very high20 Ų2054.3 Ų54.317%0.16529%0.285CS..Hα-helixtrans-63.8-27.4-172.500000113.7S22 V35 L37S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 2.94Å; A24-V35 HydrophobicContact CB-CB 3.98Å; A24-V35 HydrophobicContact CB-CG1 4.25Å; A24-L37 HydrophobicContact CB-CB 4.28Å
25K95.1Very high96Very high178 Ų17855.1 Ų55.177%0.77429%0.29SS*.Hα-helixtrans-109.5-32.7-174.7-67.4-175.3-179.31790113.2S22 L23 R29S22-K25 PolarHBondContact O-N 3.06Å; S22-K25 VanDerWaalsContact O-N 3.14Å; L23-K25 PolarHBondContact O-N 3.46Å; L23-K25 VanDerWaalsContact O-N 3.15Å; K25-R29 PolarHBondContact O-NH2 3.41Å
26E97.3Very high95.9Very high127 Ų12758.9 Ų58.959%0.59331%0.31SS*.Hα-helixtrans-117.9-14.8-165.3-61.1176.1-151.500113.9S22 P69S22-E26 WeakPolarHBondContact O-CB 3.38Å; S22-E26 PolarHBondContact O-N 3.07Å; E26-P69 HydrophobicContact CB-CB 3.92Å; E26-P69 HydrophobicContact CB-CG 3.54Å
27A97.3Very high95.9Very high3 Ų360.7 Ų60.73%0.02532%0.319CS..SBendtrans-59.3141.9176.500000111.6L23 R29 P69 D70 V265L23-A27 HydrophobicContact CG-CB 4.05Å; L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 2.83Å; A27-R29 PolarHBondContact O-NE 3.33Å; A27-R29 PolarHBondContact O-NH2 2.93Å; A27-P69 HydrophobicContact CB-CB 4.24Å; A27-D70 WeakPolarHBondContact CB-OD1 3.27Å; A27-V265 HydrophobicContact CB-CB 4.16Å; A27-V265 HydrophobicContact CB-CG1 4.03Å
28L96.4Very high95.9Very high63 Ų6365.3 Ų65.333%0.3335%0.349SS..  trans-65.2136.9178.2-63.6176.3000109.4D70 A92L28-D70 PolarHBondContact N-OD1 2.82Å; L28-D70 PolarHBondContact N-OD2 3.36Å; L28-A92 HydrophobicContact CD1-CB 3.51Å
29R93.7Very high95.9Very high86 Ų8669.9 Ų69.933%0.32536%0.362SS..  trans-158.6154.9-176.967.3-168.887.6125.617.8112.8K25 A27 S31 V265 D266K25-R29 PolarHBondContact O-NH2 3.41Å; A27-R29 PolarHBondContact O-NE 3.33Å; A27-R29 PolarHBondContact O-NH2 2.93Å; R29-S31 WeakPolarHBondContact CD-O 3.43Å; R29-S31 WeakPolarHBondContact CG-O 3.43Å; R29-V265 HydrophobicContact CB-CB 4.19Å; R29-V265 HydrophobicContact CB-CG1 4.12Å; R29-D266 WeakPolarHBondContact CA-OD2 3.33Å
30T88.4Confident95.9Very high119 Ų11969.4 Ų69.473%0.7336%0.36SS*.SBendtrans-94.1-23.8171.5-52.40000111.6D266T30-D266 WeakPolarHBondContact CB-OD2 3.48Å; T30-D266 PolarHBondContact N-OD1 3.46Å; T30-D266 PolarHBondContact N-OD2 3.09Å; T30-D266 PolarHBondContact OG1-OD2 3.02Å
31S87.9Confident95.9Very high51 Ų5173.8 Ų73.836%0.35738%0.376SS..  trans-91.3149.9179.9-176.40000113.3R29 A33R29-S31 WeakPolarHBondContact CD-O 3.43Å; R29-S31 WeakPolarHBondContact CG-O 3.43Å; S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 WeakPolarHBondContact OG-CB 3.45Å; S31-A33 PolarHBondContact OG-N 2.96Å; S31-A33 VanDerWaalsContact OG-N 3.12Å
32Q88.3Confident95.9Very high197 Ų19775.6 Ų75.692%0.92138%0.383SS*.  trans-926.3170.1-65.5-170.7-11.500113.1
33A93.5Very high96Very high36 Ų3675.7 Ų75.730%0.29838%0.382SS..PPolyproline II helixtrans-63.5136.8-18000000111.6S31 K264S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 WeakPolarHBondContact OG-CB 3.45Å; S31-A33 PolarHBondContact OG-N 2.96Å; S31-A33 VanDerWaalsContact OG-N 3.12Å; A33-K264 HydrophobicContact CB-CB 4.12Å; A33-K264 HydrophobicContact CB-CD 3.95Å; A33-K264 HydrophobicContact CB-CG 3.81Å
34E96.1Very high96Very high176 Ų17676 Ų7682%0.82238%0.384SS*.PPolyproline II helixtrans-74.4134.4174.6-66.2-172.3167.400111K264E34-K264 VanDerWaalsContact O-CD 3.24Å; E34-K264 WeakPolarHBondContact O-CD 3.46Å; E34-K264 WeakPolarHBondContact O-CE 3.41Å; E34-K264 PolarHBondContact O-NZ 2.82Å
35V97.9Very high96Very high17 Ų1781 Ų8110%0.10340%0.403CS..PPolyproline II helixtrans-89.1123.9176.7179.70000109.5L23 A24 L37 A40 E261 K264 V265L23-V35 HydrophobicContact CD2-CG1 3.88Å; A24-V35 HydrophobicContact CB-CB 3.98Å; A24-V35 HydrophobicContact CB-CG1 4.25Å; V35-L37 PolarHBondContact O-N 3.09Å; V35-A40 HydrophobicContact CG1-CB 4.22Å; V35-E261 HydrophobicContact CG1-CB 4.36Å; V35-K264 HydrophobicContact CG2-CB 4.08Å; V35-K264 HydrophobicContact CG2-CD 4.41Å; V35-V265 HydrophobicContact CG2-CG1 3.74Å
36D98.4Very high96.2Very high80 Ų8074.7 Ų74.743%0.42839%0.385SS..  trans-78.8100163.6-177.9-23.5000108.3T38 R39 A40 E261D36-T38 PolarHBondContact O-N 3.37Å; D36-T38 WeakPolarHBondContact OD1-CB 3.47Å; D36-T38 PolarHBondContact OD1-N 3.11Å; D36-R39 HydrophobicContact CB-CB 3.94Å; D36-R39 PolarHBondContact O-N 3.05Å; D36-R39 PolarHBondContact OD1-N 3.48Å; D36-A40 WeakPolarHBondContact O-CB 3.38Å; D36-A40 PolarHBondContact O-N 3.23Å; D36-E261 PolarHBondContact N-OE2 3.37Å
37L98.3Very high96.3Very high37 Ų3768.7 Ų68.719%0.19436%0.356CS..Hα-helixtrans-58.8-34.9-178.3-179.364.4000112.8I19 A21 A24 V35 A40 R41I19-L37 HydrophobicContact CG2-CD1 3.73Å; A21-L37 HydrophobicContact CB-CD2 3.91Å; A24-L37 HydrophobicContact CB-CB 4.28Å; V35-L37 PolarHBondContact O-N 3.09Å; L37-A40 PolarHBondContact O-N 2.98Å; L37-R41 WeakPolarHBondContact O-CG 3.38Å; L37-R41 PolarHBondContact O-N 3.3Å; L37-R41 VanDerWaalsContact O-N 3.09Å
38T98.4Very high96.3Very high104 Ų10468.7 Ų68.764%0.63836%0.356SS*.Hα-helixtrans-68.6-48-178.8-550000109.1D36 A40 R41 T42D36-T38 PolarHBondContact O-N 3.37Å; D36-T38 WeakPolarHBondContact OD1-CB 3.47Å; D36-T38 PolarHBondContact OD1-N 3.11Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.04Å; T38-R41 PolarHBondContact O-N 2.94Å; T38-T42 PolarHBondContact O-N 3.1Å; T38-T42 PolarHBondContact O-OG1 3.4Å
39R98.4Very high96.4Very high110 Ų11071.4 Ų71.442%0.41537%0.367SS..Hα-helixtrans-63.1-40.3175.9-177.9-179.4168.51715.9111.9D36 R41 T42 E43 E261D36-R39 HydrophobicContact CB-CB 3.94Å; D36-R39 PolarHBondContact O-N 3.05Å; D36-R39 PolarHBondContact OD1-N 3.48Å; R39-R41 VanDerWaalsContact C-N 3.29Å; R39-R41 PolarHBondContact O-N 2.83Å; R39-T42 PolarHBondContact O-N 3.21Å; R39-E43 HydrophobicContact CG-CG 4.32Å; R39-E43 IonicContact CZ-OE1 3.55Å; R39-E43 IonicContact NE-OE1 2.83Å; R39-E43 PolarHBondContact NE-OE1 3.17Å; R39-E43 IonicContact NH2-OE1 3.49Å; R39-E43 PolarHBondContact NH2-OE1 3.02Å; R39-E43 WeakPolarHBondContact O-CB 3.22Å; R39-E43 WeakPolarHBondContact O-CG 3.3Å; R39-E43 PolarHBondContact O-N 3.45Å; R39-E261 HydrophobicContact CB-CG 3.83Å; R39-E261 WeakPolarHBondContact CD-OE1 3.46Å; R39-E261 HydrophobicContact CG-CG 3.62Å; R39-E261 IonicContact CZ-OE1 3.95Å; R39-E261 IonicContact NE-OE1 3.73Å; R39-E261 IonicContact NH1-OE1 3.82Å
40A98.5Very high96.7Very high0 Ų068.4 Ų68.40%036%0.358CS..Hα-helixtrans-58-41.9176.600000112.3I19 V35 D36 L37 T38 H44 E261I19-A40 HydrophobicContact CD1-CB 4.21Å; I19-A40 VanDerWaalsContact CD1-O 3.27Å; I19-A40 WeakPolarHBondContact CD1-O 3.48Å; V35-A40 HydrophobicContact CG1-CB 4.22Å; D36-A40 WeakPolarHBondContact O-CB 3.38Å; D36-A40 PolarHBondContact O-N 3.23Å; L37-A40 PolarHBondContact O-N 2.98Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.04Å; A40-H44 WeakPolarHBondContact O-CB 3.46Å; A40-H44 PolarHBondContact O-N 3.42Å; A40-E261 HydrophobicContact CB-CB 3.65Å; A40-E261 HydrophobicContact CB-CG 4.34Å
41R98.6Very high97.1Very high92 Ų9262.7 Ų62.735%0.34732%0.324SS..Hα-helixtrans-66-46.3175.2-75.9174.4172.7166-1.5111.8I19 L37 T38 R39 E43 H44 E45I19-R41 HydrophobicContact CB-CG 4.1Å; I19-R41 HydrophobicContact CG2-CG 4.26Å; I19-R41 PolarHBondContact O-NE 3.46Å; I19-R41 PolarHBondContact O-NH2 3.32Å; I19-R41 VanDerWaalsContact O-NH2 3.15Å; L37-R41 WeakPolarHBondContact O-CG 3.38Å; L37-R41 PolarHBondContact O-N 3.3Å; L37-R41 VanDerWaalsContact O-N 3.09Å; T38-R41 PolarHBondContact O-N 2.94Å; R39-R41 VanDerWaalsContact C-N 3.29Å; R39-R41 PolarHBondContact O-N 2.83Å; R41-E43 PolarHBondContact O-N 3.23Å; R41-H44 PolarHBondContact O-N 2.97Å; R41-H44 VanDerWaalsContact O-N 3.15Å; R41-E45 WeakPolarHBondContact O-CB 3.38Å; R41-E45 WeakPolarHBondContact O-CG 3.34Å; R41-E45 PolarHBondContact O-N 3.22Å
42T98.6Very high97.6Very high82 Ų8265.3 Ų65.350%0.50333%0.325SS..Hα-helixtrans-60.3-43.6175.8-58.70000112.3T38 R39 H44 E45 A46T38-T42 PolarHBondContact O-N 3.1Å; T38-T42 PolarHBondContact O-OG1 3.4Å; R39-T42 PolarHBondContact O-N 3.21Å; T42-H44 VanDerWaalsContact C-N 3.32Å; T42-H44 PolarHBondContact O-N 2.85Å; T42-E45 PolarHBondContact O-N 2.96Å; T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 3.49Å
43E98.6Very high98Very high12 Ų1260.7 Ų60.76%0.05631%0.311CS..Hα-helixtrans-61-40.7174.7-74174.6-175.700111.6R39 R41 Y47 S258 N259 M260 E261 K262R39-E43 HydrophobicContact CG-CG 4.32Å; R39-E43 IonicContact CZ-OE1 3.55Å; R39-E43 IonicContact NE-OE1 2.83Å; R39-E43 PolarHBondContact NE-OE1 3.17Å; R39-E43 IonicContact NH2-OE1 3.49Å; R39-E43 PolarHBondContact NH2-OE1 3.02Å; R39-E43 WeakPolarHBondContact O-CB 3.22Å; R39-E43 WeakPolarHBondContact O-CG 3.3Å; R39-E43 PolarHBondContact O-N 3.45Å; R41-E43 PolarHBondContact O-N 3.23Å; E43-Y47 PolarHBondContact O-N 3.15Å; E43-S258 PolarHBondContact OE1-OG 2.66Å; E43-N259 VanDerWaalsContact OE2-C 3.26Å; E43-M260 PolarHBondContact OE2-N 3.15Å; E43-E261 PolarHBondContact OE2-N 3.38Å; E43-K262 IonicContact OE2-NZ 3.95Å
44H98.7Very high98.1Very high7 Ų764.8 Ų64.83%0.03232%0.319CS..Hα-helixtrans-70.9-43178.5-173.372000112.9R17 I19 A40 R41 T42 A46 Y47 V48R17-H44 PolarHBondContact O-NE2 3.36Å; I19-H44 HydrophobicContact CD1-CB 3.54Å; I19-H44 HydrophobicContact CG1-CB 4.36Å; A40-H44 WeakPolarHBondContact O-CB 3.46Å; A40-H44 PolarHBondContact O-N 3.42Å; R41-H44 PolarHBondContact O-N 2.97Å; R41-H44 VanDerWaalsContact O-N 3.15Å; T42-H44 VanDerWaalsContact C-N 3.32Å; T42-H44 PolarHBondContact O-N 2.85Å; H44-A46 VanDerWaalsContact C-N 3.29Å; H44-A46 PolarHBondContact O-N 2.87Å; H44-Y47 WeakPolarHBondContact O-CB 3.43Å; H44-Y47 PolarHBondContact O-N 2.92Å; H44-V48 WeakPolarHBondContact O-CG2 3.4Å; H44-V48 PolarHBondContact O-N 2.86Å
45E98.5Very high98.1Very high123 Ų12356.7 Ų56.758%0.57528%0.281SS*.Hα-helixtrans-57.7-43.4174.1-74168-171.600111R41 T42 V48 E49R41-E45 WeakPolarHBondContact O-CB 3.38Å; R41-E45 WeakPolarHBondContact O-CG 3.34Å; R41-E45 PolarHBondContact O-N 3.22Å; T42-E45 PolarHBondContact O-N 2.96Å; E45-V48 PolarHBondContact O-N 3.42Å; E45-E49 WeakPolarHBondContact O-CB 3.43Å; E45-E49 PolarHBondContact O-N 3.46Å
46A98.5Very high98.1Very high47 Ų4758.6 Ų58.639%0.38830%0.304SS..Hα-helixtrans-63.3-42175.600000112.5T42 H44 E49 V50T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 3.49Å; H44-A46 VanDerWaalsContact C-N 3.29Å; H44-A46 PolarHBondContact O-N 2.87Å; A46-E49 PolarHBondContact O-N 3.05Å; A46-V50 WeakPolarHBondContact O-CG2 3.46Å; A46-V50 PolarHBondContact O-N 3.4Å
47Y98.8Very high98Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-59.5-47.4173.7175.7-88.7000111.4V16 E43 H44 E49 V50 L51 L232 V257 L269 C272 S273V16-Y47 HydrophobicContact CG1-CE1 4.47Å; E43-Y47 PolarHBondContact O-N 3.15Å; H44-Y47 WeakPolarHBondContact O-CB 3.43Å; H44-Y47 PolarHBondContact O-N 2.92Å; Y47-E49 PolarHBondContact O-N 3.23Å; Y47-V50 WeakPolarHBondContact O-CB 3.4Å; Y47-V50 PolarHBondContact O-N 3.3Å; Y47-L51 HydrophobicContact CD1-CD1 4.02Å; Y47-L51 HydrophobicContact CD1-CG 4.43Å; Y47-L51 HydrophobicContact CE1-CD1 3.44Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.44Å; Y47-L51 HydrophobicContact CE1-CG 4.14Å; Y47-L51 PolarHBondContact O-N 2.85Å; Y47-L51 VanDerWaalsContact O-N 3.14Å; Y47-L232 HydrophobicContact CD2-CD2 4.42Å; Y47-L232 HydrophobicContact CE2-CD2 4.15Å; Y47-V257 HydrophobicContact CD2-CG1 4.01Å; Y47-L269 HydrophobicContact CD2-CD2 4.29Å; Y47-L269 HydrophobicContact CE2-CD2 4.38Å; Y47-L269 PolarHBondContact OH-O 3.23Å; Y47-C272 HydrophobicContact CD1-CB 4.25Å; Y47-C272 HydrophobicContact CE1-CB 3.81Å; Y47-S273 WeakPolarHBondContact OH-CB 3.5Å; Y47-S273 PolarHBondContact OH-OG 2.87Å
48V98.7Very high98Very high4 Ų455 Ų552%0.02429%0.292CS..Hα-helixtrans-63.6-40.4178.6171.70000111.5V16 H44 E45 V50 L51 R52 V59V16-V48 HydrophobicContact CB-CG2 4.26Å; V16-V48 HydrophobicContact CG1-CG2 4.3Å; V16-V48 HydrophobicContact CG2-CG2 3.88Å; H44-V48 WeakPolarHBondContact O-CG2 3.4Å; H44-V48 PolarHBondContact O-N 2.86Å; E45-V48 PolarHBondContact O-N 3.42Å; V48-V50 VanDerWaalsContact C-N 3.34Å; V48-V50 PolarHBondContact O-N 2.91Å; V48-L51 PolarHBondContact O-N 3.06Å; V48-R52 WeakPolarHBondContact O-CB 3.43Å; V48-R52 PolarHBondContact O-N 3.08Å; V48-V59 HydrophobicContact CG1-CG1 4.18Å
49E98.4Very high98Very high120 Ų12051.3 Ų51.356%0.56127%0.27SS*.Hα-helixtrans-63.5-38.9175.8-173.9178.1-176.400112E45 A46 Y47 R52 T53 R54E45-E49 WeakPolarHBondContact O-CB 3.43Å; E45-E49 PolarHBondContact O-N 3.46Å; A46-E49 PolarHBondContact O-N 3.05Å; Y47-E49 PolarHBondContact O-N 3.23Å; E49-R52 PolarHBondContact O-N 3.39Å; E49-T53 WeakPolarHBondContact O-CB 3.3Å; E49-T53 PolarHBondContact O-N 3.06Å; E49-R54 PolarHBondContact O-N 3.45Å
50V98.4Very high98Very high22 Ų2248.2 Ų48.213%0.13326%0.263CS..Iπ-helixtrans-58.6-50.6172.8168.10000110.2A46 Y47 V48 R52 R54 L55 L232 I255 V257A46-V50 WeakPolarHBondContact O-CG2 3.46Å; A46-V50 PolarHBondContact O-N 3.4Å; Y47-V50 WeakPolarHBondContact O-CB 3.4Å; Y47-V50 PolarHBondContact O-N 3.3Å; V48-V50 VanDerWaalsContact C-N 3.34Å; V48-V50 PolarHBondContact O-N 2.91Å; V50-R52 PolarHBondContact O-N 3.19Å; V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 PolarHBondContact O-N 2.96Å; V50-L55 HydrophobicContact CG1-CD1 4.25Å; V50-L55 HydrophobicContact CG1-CG 4.17Å; V50-L55 WeakPolarHBondContact O-CG 3.38Å; V50-L55 PolarHBondContact O-N 3.17Å; V50-L232 HydrophobicContact CG1-CD1 4.14Å; V50-L232 HydrophobicContact CG1-CD2 3.97Å; V50-L232 HydrophobicContact CG1-CG 4.23Å; V50-I255 HydrophobicContact CG1-CD1 4.35Å; V50-I255 HydrophobicContact CG1-CG2 3.94Å; V50-I255 HydrophobicContact CG2-CG2 4.26Å; V50-V257 HydrophobicContact CG2-CG2 4.42Å
51L98.5Very high98Very high0 Ų052.9 Ų52.90%029%0.285CS..Iπ-helixtrans-60.7-46.5179.7-62.3-175.8000112.2A14 V16 Y47 V48 L55 G56 L57 V59 M222 L232A14-L51 HydrophobicContact CB-CD1 3.92Å; V16-L51 HydrophobicContact CG1-CD1 4.07Å; Y47-L51 HydrophobicContact CD1-CD1 4.02Å; Y47-L51 HydrophobicContact CD1-CG 4.43Å; Y47-L51 HydrophobicContact CE1-CD1 3.44Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.44Å; Y47-L51 HydrophobicContact CE1-CG 4.14Å; Y47-L51 PolarHBondContact O-N 2.85Å; Y47-L51 VanDerWaalsContact O-N 3.14Å; V48-L51 PolarHBondContact O-N 3.06Å; L51-L55 HydrophobicContact CD2-CD1 4.03Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-G56 PolarHBondContact O-N 2.87Å; L51-L57 HydrophobicContact CB-CD1 4.45Å; L51-L57 HydrophobicContact CD2-CD1 4.23Å; L51-L57 WeakPolarHBondContact O-CB 3.4Å; L51-L57 PolarHBondContact O-N 2.83Å; L51-V59 HydrophobicContact CB-CG2 4.01Å; L51-M222 HydrophobicContact CD2-CE 3.99Å; L51-L232 HydrophobicContact CD2-CD2 4.22Å
52R97.9Very high98Very high105 Ų10549.2 Ų49.240%0.39627%0.272SS..Iπ-helixtrans-75.3-57.4-174.2-170.9-180-68.7139.3-3.9112.4V48 E49 V50 G56 V59 E61V48-R52 WeakPolarHBondContact O-CB 3.43Å; V48-R52 PolarHBondContact O-N 3.08Å; E49-R52 PolarHBondContact O-N 3.39Å; V50-R52 PolarHBondContact O-N 3.19Å; R52-G56 VanDerWaalsContact O-CA 3.26Å; R52-G56 WeakPolarHBondContact O-CA 3.25Å; R52-G56 PolarHBondContact O-N 3.35Å; R52-V59 HydrophobicContact CB-CB 4.47Å; R52-V59 HydrophobicContact CB-CG2 3.77Å; R52-V59 HydrophobicContact CG-CG2 4.34Å; R52-E61 IonicContact CZ-OE2 3.88Å; R52-E61 IonicContact NH1-OE2 2.82Å; R52-E61 IonicContact NH2-OE2 2.72Å; R52-E61 PolarHBondContact NH2-OE2 2.96Å
53T96Very high98Very high101 Ų10149.9 Ų49.962%0.6228%0.278SS*.Iπ-helixtrans-90.7-49.1-168-54.20000111.3E49E49-T53 WeakPolarHBondContact O-CB 3.3Å; E49-T53 PolarHBondContact O-N 3.06Å
54R96Very high98Very high121 Ų12151.4 Ų51.446%0.45729%0.292SS..Iπ-helixtrans-75.1-44.8-175.1-170.9170.8176.4177.1-2.3111E49 V50 K227 I255E49-R54 PolarHBondContact O-N 3.45Å; V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 PolarHBondContact O-N 2.96Å; R54-K227 WeakPolarHBondContact O-CE 3.43Å; R54-K227 PolarHBondContact O-NZ 2.97Å; R54-I255 HydrophobicContact CG-CD1 4.4Å
55L96.7Very high97.9Very high7 Ų753.3 Ų53.34%0.03730%0.303CS..Iπ-helixtrans-88.4-29.9-177.2-59.5-171.8000113.2V50 L51 L57 M222 L224 K227 V230 L232 I255V50-L55 HydrophobicContact CG1-CD1 4.25Å; V50-L55 HydrophobicContact CG1-CG 4.17Å; V50-L55 WeakPolarHBondContact O-CG 3.38Å; V50-L55 PolarHBondContact O-N 3.17Å; L51-L55 HydrophobicContact CD2-CD1 4.03Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L55-L57 HydrophobicContact CB-CG 4.33Å; L55-M222 HydrophobicContact CD1-CE 3.18Å; L55-M222 HydrophobicContact CD1-SD 3.66Å; L55-L224 HydrophobicContact CB-CD1 3.69Å; L55-L224 HydrophobicContact CD1-CD1 4.23Å; L55-L224 HydrophobicContact CD2-CD1 3.95Å; L55-L224 HydrophobicContact CG-CD1 4.17Å; L55-K227 HydrophobicContact CD2-CD 4.33Å; L55-K227 PolarHBondContact O-NZ 3.07Å; L55-V230 HydrophobicContact CD1-CG1 4.48Å; L55-V230 HydrophobicContact CD2-CG1 3.78Å; L55-V230 HydrophobicContact CD2-CG2 4.35Å; L55-L232 HydrophobicContact CD1-CD1 4.01Å; L55-I255 HydrophobicContact CD2-CD1 3.64Å
56G96.6Very high97.9Very high57 Ų5752.1 Ų52.159%0.58830%0.297SS*.  trans85.326.2176.700000113.7L51 R52L51-G56 PolarHBondContact O-N 2.87Å; R52-G56 VanDerWaalsContact O-CA 3.26Å; R52-G56 WeakPolarHBondContact O-CA 3.25Å; R52-G56 PolarHBondContact O-N 3.35Å
57L97.4Very high97.9Very high10 Ų1053 Ų535%0.05230%0.301CS..  trans-79.5147.8175.9-57-178.6000110.8Y11 T12 A14 L51 L55 V59 M222 L224 L275Y11-L57 VanDerWaalsContact O-CD2 3.29Å; Y11-L57 WeakPolarHBondContact O-CD2 3.5Å; T12-L57 WeakPolarHBondContact O-CA 3.4Å; A14-L57 HydrophobicContact CB-CD1 4.25Å; L51-L57 HydrophobicContact CB-CD1 4.45Å; L51-L57 HydrophobicContact CD2-CD1 4.23Å; L51-L57 WeakPolarHBondContact O-CB 3.4Å; L51-L57 PolarHBondContact O-N 2.83Å; L55-L57 HydrophobicContact CB-CG 4.33Å; L57-V59 PolarHBondContact O-N 2.83Å; L57-M222 HydrophobicContact CD1-SD 4.02Å; L57-L224 HydrophobicContact CD2-CD2 4.04Å; L57-L275 HydrophobicContact CD1-CD2 4.29Å
58G97.7Very high97.9Very high31 Ų3153.3 Ų53.332%0.3230%0.302SS..EExtended strand (participates in β ladder)trans-69.5109.9163.800000109.9T12 H13 A14T12-G58 PolarHBondContact O-N 3.1Å; H13-G58 CarbonylContact C-O 3.53Å; H13-G58 WeakPolarHBondContact CA-O 3.31Å; H13-G58 WeakPolarHBondContact CB-O 3.46Å; A14-G58 PolarHBondContact N-O 3.03Å
59V98.5Very high97.9Very high26 Ų2653.8 Ų53.816%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-99.2119.4-178.1-179.20000110.8A14 V16 V48 L51 R52 L57A14-V59 WeakPolarHBondContact O-CA 3.29Å; V16-V59 HydrophobicContact CG1-CG1 4.34Å; V16-V59 HydrophobicContact CG2-CG1 3.63Å; V48-V59 HydrophobicContact CG1-CG1 4.18Å; L51-V59 HydrophobicContact CB-CG2 4.01Å; R52-V59 HydrophobicContact CB-CB 4.47Å; R52-V59 HydrophobicContact CB-CG2 3.77Å; R52-V59 HydrophobicContact CG-CG2 4.34Å; L57-V59 PolarHBondContact O-N 2.83Å
60V98.5Very high97.9Very high46 Ų4648.3 Ų48.328%0.27928%0.28SS..EExtended strand (participates in β ladder)trans-93.4112.2168.2-179.90000107.9A14 V15 V16 L62 L109A14-V60 PolarHBondContact O-N 2.94Å; V15-V60 WeakPolarHBondContact CA-O 3.31Å; V15-V60 HydrophobicContact CG2-CB 4.27Å; V16-V60 PolarHBondContact N-O 3.07Å; V60-L62 HydrophobicContact CG1-CD2 4.15Å; V60-L109 HydrophobicContact CG2-CD1 4.16Å; V60-L109 HydrophobicContact CG2-CD2 4.16Å; V60-L109 HydrophobicContact CG2-CG 4.45Å
61E98.5Very high97.9Very high97 Ų9747.3 Ų47.345%0.45327%0.274SS..EExtended strand (participates in β ladder)trans-103.8108.9-177.9-174.9167.1-179.700109.9V16 R52V16-E61 HydrophobicContact CG2-CB 3.96Å; V16-E61 HydrophobicContact CG2-CG 4Å; R52-E61 IonicContact CZ-OE2 3.88Å; R52-E61 IonicContact NH1-OE2 2.82Å; R52-E61 IonicContact NH2-OE2 2.72Å; R52-E61 PolarHBondContact NH2-OE2 2.96Å
62L98.6Very high97.9Very high16 Ų1647.3 Ų47.38%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-79.2144.6178.6-57.4178.3000110.5V15 V16 R17 G18 V60 V101 M102 A105V15-L62 HydrophobicContact CG1-CD1 3.68Å; V15-L62 HydrophobicContact CG1-CG 3.9Å; V16-L62 PolarHBondContact O-N 3.11Å; R17-L62 WeakPolarHBondContact CA-O 3.4Å; R17-L62 HydrophobicContact CB-CB 3.95Å; R17-L62 HydrophobicContact CG-CB 3.75Å; G18-L62 PolarHBondContact N-O 3.31Å; V60-L62 HydrophobicContact CG1-CD2 4.15Å; L62-V101 HydrophobicContact CB-CG1 4.31Å; L62-V101 HydrophobicContact CD1-CG1 3.88Å; L62-V101 HydrophobicContact CD2-CG1 3.89Å; L62-V101 HydrophobicContact CG-CG1 4.24Å; L62-M102 HydrophobicContact CD1-CE 4.31Å; L62-A105 HydrophobicContact CD1-CB 4.44Å; L62-A105 HydrophobicContact CD2-CB 3.82Å
63P98.1Very high97.9Very high95 Ų9542.6 Ų42.662%0.61726%0.256SS*.PPolyproline II helixtrans-65.8147.4177.128.7-34.7000111.2R17R17-P63 PolarHBondContact NE-O 2.87Å
64A98.1Very high98Very high44 Ų4437.9 Ų37.936%0.36423%0.227SC..PPolyproline II helixtrans-62.4150.1167.100000110.5G18 P20G18-A64 WeakPolarHBondContact O-CB 3.4Å; P20-A64 HydrophobicContact CB-CB 4.23Å
65D98.3Very high98.2Very high47 Ų4733.1 Ų33.125%0.25121%0.21SC..  trans-129.6114173.8-175.4-23.8000108.8S67 L68D65-S67 PolarHBondContact O-N 3.13Å; D65-S67 WeakPolarHBondContact OD1-CA 3.46Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.05Å; D65-S67 PolarHBondContact OD1-OG 2.54Å; D65-S67 PolarHBondContact OD2-OG 3.15Å; D65-L68 HydrophobicContact CB-CB 4.23Å; D65-L68 HydrophobicContact CB-CD1 4.17Å; D65-L68 HydrophobicContact CB-CG 4.33Å; D65-L68 CarbonylContact O-C 3.56Å; D65-L68 PolarHBondContact O-N 3.11Å
66E98.1Very high98.2Very high99 Ų9933 Ų3346%0.46321%0.21SC..THydrogen-bonded Turntrans-62.4-23.4-178.2-65-61.8152.400112.8P20 A21 S22 L68P20-E66 WeakPolarHBondContact CA-OE1 3.42Å; A21-E66 VanDerWaalsContact N-CD 3.3Å; A21-E66 PolarHBondContact N-OE1 3.28Å; A21-E66 PolarHBondContact N-OE2 3.41Å; S22-E66 WeakPolarHBondContact CB-O 3.37Å; S22-E66 PolarHBondContact N-OE2 3.21Å; S22-E66 PolarHBondContact OG-O 3.24Å; E66-L68 PolarHBondContact O-N 3.4Å
67S98.1Very high98.3Very high66 Ų6630.4 Ų30.446%0.46218%0.182SC..THydrogen-bonded Turntrans-78.1-6.5174.975.50000113.8D65 R97D65-S67 PolarHBondContact O-N 3.13Å; D65-S67 WeakPolarHBondContact OD1-CA 3.46Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.05Å; D65-S67 PolarHBondContact OD1-OG 2.54Å; D65-S67 PolarHBondContact OD2-OG 3.15Å; S67-R97 PolarHBondContact OG-NH1 2.99Å
68L98.3Very high98.4Very high5 Ų530.1 Ų30.13%0.02618%0.182CC..  trans-12978.6-178.9-58.3173.8000109.6D65 E66 D70 C71 S94 R97 E98D65-L68 HydrophobicContact CB-CB 4.23Å; D65-L68 HydrophobicContact CB-CD1 4.17Å; D65-L68 HydrophobicContact CB-CG 4.33Å; D65-L68 CarbonylContact O-C 3.56Å; D65-L68 PolarHBondContact O-N 3.11Å; E66-L68 PolarHBondContact O-N 3.4Å; L68-D70 PolarHBondContact O-N 3.38Å; L68-C71 HydrophobicContact CB-CB 3.85Å; L68-C71 WeakPolarHBondContact O-CB 3.42Å; L68-C71 PolarHBondContact O-N 2.89Å; L68-C71 PolarHBondContact O-SG 2.8Å; L68-C71 VanDerWaalsContact O-SG 3.36Å; L68-S94 WeakPolarHBondContact CD2-O 3.28Å; L68-R97 HydrophobicContact CD1-CB 4.28Å; L68-R97 HydrophobicContact CD2-CB 3.9Å; L68-E98 HydrophobicContact CB-CG 4.2Å; L68-E98 HydrophobicContact CD1-CG 3.94Å; L68-E98 HydrophobicContact CD2-CG 4.39Å; L68-E98 HydrophobicContact CG-CG 4.4Å
69P98.4Very high98.4Very high14 Ų1429.3 Ų29.39%0.09117%0.17CC..THydrogen-bonded Turntrans-56.5-27.9-172.6-26.334.7000115S22 L23 E26 A27S22-P69 WeakPolarHBondContact OG-CA 3.48Å; L23-P69 WeakPolarHBondContact CA-O 3.32Å; L23-P69 WeakPolarHBondContact CB-O 3.41Å; E26-P69 HydrophobicContact CB-CB 3.92Å; E26-P69 HydrophobicContact CB-CG 3.54Å; A27-P69 HydrophobicContact CB-CB 4.24Å
70D98.6Very high98.4Very high6 Ų629.5 Ų29.53%0.03217%0.172CC..THydrogen-bonded Turntrans-92.14.7-178.5-61.6-74000113.4A27 L28 L68 V72 F73 R95A27-D70 WeakPolarHBondContact CB-OD1 3.27Å; L28-D70 PolarHBondContact N-OD1 2.82Å; L28-D70 PolarHBondContact N-OD2 3.36Å; L68-D70 PolarHBondContact O-N 3.38Å; D70-V72 PolarHBondContact O-N 2.87Å; D70-F73 HydrophobicContact CB-CD2 4.2Å; D70-F73 WeakPolarHBondContact O-CD2 3.49Å; D70-F73 PolarHBondContact O-N 3.28Å; D70-R95 HydrophobicContact CB-CG 4.06Å; D70-R95 VanDerWaalsContact CB-NE 3.3Å
71C98.3Very high98.3Very high1 Ų127.9 Ų27.91%0.00716%0.162CC..THydrogen-bonded Turntrans-64-15.9-166.672.90000115.6R17 L68 F73 E98R17-C71 WeakPolarHBondContact CB-O 3.04Å; R17-C71 WeakPolarHBondContact CD-O 3.44Å; R17-C71 HydrophobicContact CG-CB 4.44Å; R17-C71 WeakPolarHBondContact CG-O 3.44Å; L68-C71 HydrophobicContact CB-CB 3.85Å; L68-C71 WeakPolarHBondContact O-CB 3.42Å; L68-C71 PolarHBondContact O-N 2.89Å; L68-C71 PolarHBondContact O-SG 2.8Å; L68-C71 VanDerWaalsContact O-SG 3.36Å; C71-F73 PolarHBondContact O-N 3.46Å; C71-E98 HydrophobicContact CB-CG 4.22Å
72V98.6Very high97.9Very high0 Ų025.5 Ų25.50%016%0.164CC..THydrogen-bonded Turntrans-62-26.6171.862.40000112.1R17 I19 L23 D70 V74 K262R17-V72 WeakPolarHBondContact O-CG2 3.5Å; I19-V72 HydrophobicContact CD1-CG2 4.29Å; I19-V72 HydrophobicContact CG1-CB 3.89Å; I19-V72 HydrophobicContact CG1-CG1 4.35Å; I19-V72 HydrophobicContact CG1-CG2 3.63Å; L23-V72 HydrophobicContact CD1-CG1 3.5Å; D70-V72 PolarHBondContact O-N 2.87Å; V72-V74 PolarHBondContact O-N 3.33Å; V72-K262 HydrophobicContact CG2-CD 4.35Å
73F98.6Very high97.7Very high6 Ų628.5 Ų28.53%0.02618%0.177CC..  trans-85.462.6-176.2-55.5-52.4000112.4D70 C71 E75 D76 R95 K262 V265 C271D70-F73 HydrophobicContact CB-CD2 4.2Å; D70-F73 WeakPolarHBondContact O-CD2 3.49Å; D70-F73 PolarHBondContact O-N 3.28Å; C71-F73 PolarHBondContact O-N 3.46Å; F73-E75 PolarHBondContact O-N 3.44Å; F73-D76 PolarHBondContact O-N 2.93Å; F73-R95 PolarHBondContact O-NH2 2.87Å; F73-K262 HydrophobicContact CE1-CB 4.11Å; F73-K262 HydrophobicContact CE1-CD 4.3Å; F73-K262 HydrophobicContact CE1-CG 4.43Å; F73-K262 HydrophobicContact CZ-CB 4.2Å; F73-K262 HydrophobicContact CZ-CG 4.49Å; F73-V265 HydrophobicContact CE2-CG2 3.91Å; F73-V265 HydrophobicContact CZ-CG2 3.69Å; F73-C271 CarbonylContact C-O 3.42Å; F73-C271 VanDerWaalsContact C-O 3.24Å; F73-C271 VanDerWaalsContact CA-O 3.24Å; F73-C271 WeakPolarHBondContact CA-O 3.17Å; F73-C271 HydrophobicContact CB-CB 4.38Å; F73-C271 HydrophobicContact CD1-CB 3.69Å; F73-C271 HydrophobicContact CE1-CB 4.48Å; F73-C271 HydrophobicContact CG-CB 4.39Å
74V98.6Very high97.6Very high2 Ų225.7 Ų25.71%0.01216%0.159CC..G310 helixtrans-59.7-25.1-175.1-71.10000114.9R17 V72 D76 A77 M102 C271 S273 V274R17-V74 HydrophobicContact CB-CG1 3.39Å; V72-V74 PolarHBondContact O-N 3.33Å; V74-D76 PolarHBondContact O-N 3.44Å; V74-A77 PolarHBondContact O-N 2.96Å; V74-M102 HydrophobicContact CB-CE 3.51Å; V74-M102 HydrophobicContact CG1-CE 3.79Å; V74-C271 PolarHBondContact N-O 2.85Å; V74-C271 VanDerWaalsContact N-O 3.14Å; V74-S273 VanDerWaalsContact CG2-CA 3.48Å; V74-V274 HydrophobicContact CB-CG2 4.33Å; V74-V274 HydrophobicContact CG2-CG2 4.3Å; V74-V274 WeakPolarHBondContact O-CG2 3.45Å
75E98.7Very high97.6Very high21 Ų2123.6 Ų23.610%0.09814%0.141CC..G310 helixtrans-55.9-35.9179.3-179.8168.2-121.400112.1F73 A77 A78 G125 K172 T270 C271F73-E75 PolarHBondContact O-N 3.44Å; E75-A77 VanDerWaalsContact C-N 3.25Å; E75-A77 PolarHBondContact O-N 3.45Å; E75-A78 VanDerWaalsContact O-O 3.04Å; E75-G125 WeakPolarHBondContact O-CA 3.36Å; E75-K172 WeakPolarHBondContact OE1-CE 3.48Å; E75-K172 IonicContact OE1-NZ 2.68Å; E75-K172 PolarHBondContact OE1-NZ 3.24Å; E75-K172 IonicContact OE2-NZ 3.48Å; E75-T270 WeakPolarHBondContact OE1-CB 2.98Å; E75-T270 PolarHBondContact OE1-OG1 2.85Å; E75-T270 WeakPolarHBondContact OE2-CB 3.41Å; E75-T270 PolarHBondContact OE2-OG1 2.95Å; E75-C271 PolarHBondContact N-O 2.92Å; E75-C271 PolarHBondContact OE2-N 3.33Å
76D98.6Very high97.7Very high4 Ų421.4 Ų21.42%0.02113%0.129CC..G310 helixtrans-73.4-21.1-174.2-67.9-35.8000113.4F73 V74 T88 R95 D124 G125 G126 H170F73-D76 PolarHBondContact O-N 2.93Å; V74-D76 PolarHBondContact O-N 3.44Å; D76-T88 PolarHBondContact O-OG1 3.42Å; D76-R95 IonicContact OD2-CZ 3.56Å; D76-R95 IonicContact OD2-NH1 2.72Å; D76-R95 PolarHBondContact OD2-NH1 2.94Å; D76-R95 IonicContact OD2-NH2 2.92Å; D76-D124 HydrophobicContact CB-CB 4.12Å; D76-G125 PolarHBondContact O-N 3.3Å; D76-G126 WeakPolarHBondContact OD1-CA 3.35Å; D76-G126 PolarHBondContact OD1-N 2.87Å; D76-H170 IonicContact OD1-CE1 3.85Å; D76-H170 IonicContact OD1-NE2 2.81Å; D76-H170 IonicContact OD2-CE1 2.89Å
77A98.4Very high97.7Very high2 Ų216.9 Ų16.92%0.01711%0.108CC..G310 helixtrans-85.1-18-176.200000113.8V74 E75 T88 T99 M102V74-A77 PolarHBondContact O-N 2.96Å; E75-A77 VanDerWaalsContact C-N 3.25Å; E75-A77 PolarHBondContact O-N 3.45Å; A77-T88 VanDerWaalsContact C-OG1 3.28Å; A77-T88 WeakPolarHBondContact CA-OG1 3.48Å; A77-T88 PolarHBondContact O-N 2.78Å; A77-T88 PolarHBondContact O-OG1 2.88Å; A77-T99 HydrophobicContact CB-CG2 4.1Å; A77-M102 HydrophobicContact CB-CB 4.13Å; A77-M102 HydrophobicContact CB-CG 4.19Å
78A98.6Very high97.7Very high4 Ų414 Ų143%0.0339%0.088CC..EExtended strand (participates in β ladder)trans-154144.1-178.700000113.8E75 L86 I87 M102 L106E75-A78 VanDerWaalsContact O-O 3.04Å; A78-L86 CarbonylContact C-O 3.53Å; A78-L86 VanDerWaalsContact CA-O 3.28Å; A78-L86 WeakPolarHBondContact CA-O 3.28Å; A78-I87 HydrophobicContact CB-CD1 4.25Å; A78-M102 HydrophobicContact CB-CG 3.63Å; A78-M102 HydrophobicContact CB-SD 4.21Å; A78-L106 HydrophobicContact CB-CD1 3.59Å
79V98.8Very high97.7Very high14 Ų1415.8 Ų15.89%0.0859%0.094CC..EExtended strand (participates in β ladder)trans-114.5124.3167.4179.80000108.3A85 L86 T88 L123 V128 F135 L151 F155V79-A85 WeakPolarHBondContact O-CA 3.46Å; V79-L86 HydrophobicContact CB-CB 4.43Å; V79-L86 PolarHBondContact N-O 2.95Å; V79-L86 PolarHBondContact O-N 3.29Å; V79-T88 HydrophobicContact CG2-CG2 4.21Å; V79-L123 HydrophobicContact CG2-CD2 4.14Å; V79-V128 HydrophobicContact CG1-CG1 4.09Å; V79-V128 HydrophobicContact CG2-CB 4.24Å; V79-V128 HydrophobicContact CG2-CG1 4.4Å; V79-V128 HydrophobicContact CG2-CG2 3.99Å; V79-F135 HydrophobicContact CG1-CE1 4.36Å; V79-L151 HydrophobicContact CG1-CD1 4.47Å; V79-L151 HydrophobicContact CG2-CD1 4.36Å; V79-F155 HydrophobicContact CB-CE2 4.36Å; V79-F155 HydrophobicContact CG1-CE2 3.9Å; V79-F155 HydrophobicContact CG1-CZ 4.22Å
80V98Very high97.8Very high30 Ų3015.1 Ų15.118%0.1829%0.09CC..EExtended strand (participates in β ladder)trans-112.5130.2179.7-178.90000110.1A85 L106 L111 V274 I276V80-A85 HydrophobicContact CG2-CB 4.01Å; V80-L106 HydrophobicContact CG2-CD1 4.22Å; V80-L106 HydrophobicContact CG2-CD2 4.36Å; V80-L111 HydrophobicContact CG1-CD1 3.97Å; V80-L111 HydrophobicContact CG2-CD1 4.22Å; V80-V274 HydrophobicContact CB-CG1 4.29Å; V80-V274 HydrophobicContact CG2-CG1 3.48Å; V80-V274 VanDerWaalsContact CG2-CG1 3.48Å; V80-I276 HydrophobicContact CG1-CG1 4.32Å; V80-I276 HydrophobicContact CG2-CG1 4.44Å
81C95.4Very high97.7Very high12 Ų1215.8 Ų15.88%0.08110%0.098CC..EExtended strand (participates in β ladder)trans-142.7122.5172.8-171.10000109.9E83 T84 F135 F155 Y158C81-E83 PolarHBondContact O-N 2.61Å; C81-T84 PolarHBondContact N-O 2.99Å; C81-T84 PolarHBondContact O-N 2.68Å; C81-T84 VanDerWaalsContact O-N 3.11Å; C81-F135 HydrophobicContact CB-CZ 3.89Å; C81-F155 HydrophobicContact CB-CD1 3.72Å; C81-F155 HydrophobicContact CB-CE1 3.54Å; C81-F155 HydrophobicContact CB-CG 4.41Å; C81-F155 HydrophobicContact CB-CZ 4.1Å; C81-Y158 WeakPolarHBondContact SG-CE2 3.46Å
82G91.3Very high97.7Very high47 Ų4716.3 Ų16.349%0.48510%0.103SC..THydrogen-bonded Turntrans57.4-126.9-172.100000111.2
83E93.3Very high97.7Very high80 Ų8022.9 Ų22.937%0.37413%0.133SC..THydrogen-bonded Turntrans-95.410.6-179.9-61-179.6174.300112.9C81 N112 N279C81-E83 PolarHBondContact O-N 2.61Å; E83-N112 WeakPolarHBondContact O-CB 3.27Å; E83-N112 PolarHBondContact O-N 2.9Å; E83-N112 PolarHBondContact O-ND2 3.09Å; E83-N112 VanDerWaalsContact O-ND2 3.1Å; E83-N279 PolarHBondContact OE1-ND2 2.75Å
84T96.9Very high97.7Very high36 Ų3625.7 Ų25.722%0.22115%0.154CC..EExtended strand (participates in β ladder)trans-115.1134.7-178.2-58.30000111.1C81 N112 V114 F155C81-T84 PolarHBondContact N-O 2.99Å; C81-T84 PolarHBondContact O-N 2.68Å; C81-T84 VanDerWaalsContact O-N 3.11Å; T84-N112 CarbonylContact C-O 3.59Å; T84-N112 WeakPolarHBondContact CA-O 3.39Å; T84-V114 HydrophobicContact CG2-CG2 3.9Å; T84-F155 HydrophobicContact CG2-CE1 3.9Å
85A98.4Very high97.7Very high0 Ų025.9 Ų25.90%015%0.154CC..EExtended strand (participates in β ladder)trans-116.1119.9172.100000110V79 V80 L106 L111 N112 I113 V114V79-A85 WeakPolarHBondContact O-CA 3.46Å; V80-A85 HydrophobicContact CG2-CB 4.01Å; A85-L106 HydrophobicContact CB-CB 4.36Å; A85-L106 HydrophobicContact CB-CD1 3.73Å; A85-L111 HydrophobicContact CB-CB 4.18Å; A85-L111 HydrophobicContact CB-CD1 4.06Å; A85-N112 PolarHBondContact N-O 3.05Å; A85-I113 HydrophobicContact CB-CD1 3.96Å; A85-V114 PolarHBondContact O-N 3.2Å
86L98.8Very high97.6Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-86.4109.9166.2175.363.9000108.6A78 V79 T88 V114 M116 I150 L151 A154 F155A78-L86 CarbonylContact C-O 3.53Å; A78-L86 VanDerWaalsContact CA-O 3.28Å; A78-L86 WeakPolarHBondContact CA-O 3.28Å; V79-L86 HydrophobicContact CB-CB 4.43Å; V79-L86 PolarHBondContact N-O 2.95Å; V79-L86 PolarHBondContact O-N 3.29Å; L86-T88 PolarHBondContact O-N 3.12Å; L86-V114 CarbonylContact C-O 3.57Å; L86-V114 WeakPolarHBondContact CA-O 3.15Å; L86-V114 HydrophobicContact CD1-CB 4.24Å; L86-V114 HydrophobicContact CD1-CG1 3.91Å; L86-M116 HydrophobicContact CD2-CE 4.44Å; L86-I150 HydrophobicContact CD1-CG2 4.28Å; L86-L151 HydrophobicContact CD2-CB 3.92Å; L86-L151 HydrophobicContact CD2-CD1 4.3Å; L86-L151 HydrophobicContact CD2-CG 4.08Å; L86-A154 HydrophobicContact CB-CB 4.46Å; L86-A154 HydrophobicContact CD1-CB 4.28Å; L86-A154 HydrophobicContact CD2-CB 4.42Å; L86-F155 HydrophobicContact CB-CE2 3.93Å; L86-F155 HydrophobicContact CB-CZ 3.89Å; L86-F155 HydrophobicContact CD2-CE2 4.31Å
87I98.8Very high97.6Very high4 Ų433.7 Ų33.72%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-74.4118.8166.1-53.1-58.5000107.5A78 T99 M102 K103 L106 I113 V114 E115 M116A78-I87 HydrophobicContact CB-CD1 4.25Å; I87-T99 HydrophobicContact CG2-CG2 4.16Å; I87-M102 HydrophobicContact CD1-CG 4.39Å; I87-K103 HydrophobicContact CD1-CB 3.98Å; I87-K103 HydrophobicContact CG1-CB 4.05Å; I87-K103 HydrophobicContact CG1-CG 4.3Å; I87-L106 HydrophobicContact CD1-CD1 3.84Å; I87-I113 HydrophobicContact CG1-CG2 3.72Å; I87-V114 PolarHBondContact N-O 3.32Å; I87-E115 HydrophobicContact CB-CG 4.19Å; I87-E115 HydrophobicContact CG1-CG 4.32Å; I87-M116 WeakPolarHBondContact O-CB 3.42Å; I87-M116 PolarHBondContact O-N 3.35Å
88T98.8Very high97.6Very high5 Ų533.8 Ų33.83%0.03118%0.182CC..  trans-80.4176.2-172.869.80000111.1D76 A77 V79 L86 T99 L123D76-T88 PolarHBondContact O-OG1 3.42Å; A77-T88 VanDerWaalsContact C-OG1 3.28Å; A77-T88 WeakPolarHBondContact CA-OG1 3.48Å; A77-T88 PolarHBondContact O-N 2.78Å; A77-T88 PolarHBondContact O-OG1 2.88Å; V79-T88 HydrophobicContact CG2-CG2 4.21Å; L86-T88 PolarHBondContact O-N 3.12Å; T88-T99 WeakPolarHBondContact O-CG2 3.44Å; T88-L123 VanDerWaalsContact CB-O 3.26Å; T88-L123 WeakPolarHBondContact CB-O 3.41Å; T88-L123 HydrophobicContact CG2-CD2 3.52Å; T88-L123 PolarHBondContact OG1-O 2.94Å
89R98.7Very high97.6Very high44 Ų4434.7 Ų34.717%0.16619%0.188CC..  trans-119.694.7163.7-175.1169178.1-89.77.3107.7G91 R96 M116 E119 A121 T122 L123R89-G91 PolarHBondContact O-N 3.44Å; R89-R96 VanDerWaalsContact CZ-CZ 3.43Å; R89-M116 HydrophobicContact CB-CB 4.16Å; R89-M116 HydrophobicContact CB-CG 3.86Å; R89-M116 HydrophobicContact CB-SD 3.79Å; R89-E119 VanDerWaalsContact CZ-O 3.28Å; R89-E119 PolarHBondContact NH1-O 3.05Å; R89-E119 PolarHBondContact NH2-O 2.75Å; R89-A121 WeakPolarHBondContact CD-O 3.19Å; R89-A121 PolarHBondContact NH1-O 2.5Å; R89-T122 VanDerWaalsContact O-CA 3.28Å; R89-T122 WeakPolarHBondContact O-CA 3.47Å; R89-L123 CarbonylContact C-O 3.44Å; R89-L123 PolarHBondContact O-N 2.99Å
90P98.6Very high97.5Very high0 Ų039.4 Ų39.40%021%0.209CC..  trans-52.2139.7-176.4-30.635.4000112.6A92 R95 T99 D124P90-A92 VanDerWaalsContact C-N 3.28Å; P90-A92 PolarHBondContact O-N 3.33Å; P90-R95 HydrophobicContact CB-CB 3.98Å; P90-T99 HydrophobicContact CG-CG2 3.95Å; P90-D124 WeakPolarHBondContact CA-OD1 3.44Å
91G98.3Very high97.5Very high20 Ų2040.3 Ų40.321%0.20621%0.214CC..SBendtrans-66.3-32-178.900000112.8R89 D124 R142R89-G91 PolarHBondContact O-N 3.44Å; G91-D124 PolarHBondContact N-OD1 3.41Å; G91-R142 WeakPolarHBondContact CA-O 3.39Å
92A97.9Very high97.6Very high12 Ų1239.9 Ų39.910%0.09921%0.211CC..SBendtrans-79.1119.3170.700000110.7L28 P90 S94 R95L28-A92 HydrophobicContact CD1-CB 3.51Å; P90-A92 VanDerWaalsContact C-N 3.28Å; P90-A92 PolarHBondContact O-N 3.33Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 3.21Å; A92-R95 HydrophobicContact CB-CB 4.29Å; A92-R95 HydrophobicContact CB-CG 3.94Å; A92-R95 WeakPolarHBondContact O-CB 3.17Å; A92-R95 PolarHBondContact O-N 3.29Å
93E98Very high98Very high137 Ų13740.1 Ų40.164%0.6420%0.199SC*.G310 helixtrans-62.5-36.3-174.9-51.7-152.7125.100113.2R95 R96E93-R95 PolarHBondContact O-N 3.05Å; E93-R95 VanDerWaalsContact O-N 3.13Å; E93-R96 PolarHBondContact O-N 2.77Å; E93-R96 IonicContact OE1-CZ 3.6Å; E93-R96 IonicContact OE1-NH1 3.87Å; E93-R96 PolarHBondContact OE1-NH1 3.44Å; E93-R96 IonicContact OE1-NH2 2.77Å; E93-R96 PolarHBondContact OE1-NH2 3.07Å; E93-R96 VanDerWaalsContact OE1-NH2 3.09Å
94S98.1Very high98.2Very high65 Ų6540.5 Ų40.546%0.45520%0.201SC..G310 helixtrans-58.3-24175.953.90000113.1L68 A92L68-S94 WeakPolarHBondContact CD2-O 3.28Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 3.21Å
95R98.4Very high98.3Very high6 Ų639.2 Ų39.22%0.02319%0.193CC..G310 helixtrans-94.9-10-176.2-60.2-162.160.5-157.3-11.8114D70 F73 D76 P90 A92 E93 R97 E98D70-R95 HydrophobicContact CB-CG 4.06Å; D70-R95 VanDerWaalsContact CB-NE 3.3Å; F73-R95 PolarHBondContact O-NH2 2.87Å; D76-R95 IonicContact OD2-CZ 3.56Å; D76-R95 IonicContact OD2-NH1 2.72Å; D76-R95 PolarHBondContact OD2-NH1 2.94Å; D76-R95 IonicContact OD2-NH2 2.92Å; P90-R95 HydrophobicContact CB-CB 3.98Å; A92-R95 HydrophobicContact CB-CB 4.29Å; A92-R95 HydrophobicContact CB-CG 3.94Å; A92-R95 WeakPolarHBondContact O-CB 3.17Å; A92-R95 PolarHBondContact O-N 3.29Å; E93-R95 PolarHBondContact O-N 3.05Å; E93-R95 VanDerWaalsContact O-N 3.13Å; R95-R97 VanDerWaalsContact C-N 3.26Å; R95-R97 PolarHBondContact O-N 2.9Å; R95-E98 WeakPolarHBondContact CA-OE1 3.29Å; R95-E98 VanDerWaalsContact CB-OE1 3.25Å; R95-E98 WeakPolarHBondContact CB-OE1 3.19Å; R95-E98 WeakPolarHBondContact CG-OE1 3.4Å; R95-E98 IonicContact CZ-OE1 3.7Å; R95-E98 IonicContact CZ-OE2 3.54Å; R95-E98 IonicContact NE-OE1 2.87Å; R95-E98 PolarHBondContact NE-OE1 3.48Å; R95-E98 IonicContact NE-OE2 3.95Å; R95-E98 PolarHBondContact NE-OE2 2.89Å; R95-E98 VanDerWaalsContact NE-OE2 3.14Å; R95-E98 IonicContact NH2-OE1 2.66Å; R95-E98 IonicContact NH2-OE2 3.83Å; R95-E98 PolarHBondContact NH2-OE2 2.91Å; R95-E98 WeakPolarHBondContact O-CB 3.26Å; R95-E98 VanDerWaalsContact O-CG 3.28Å; R95-E98 WeakPolarHBondContact O-CG 3.49Å; R95-E98 PolarHBondContact O-N 2.76Å
96R98.3Very high98.3Very high63 Ų6339.2 Ų39.224%0.23819%0.193CC..THydrogen-bonded Turntrans-60.2-34.1-174.3-70.8-179.1-176.9148.74.8113.3R89 E93 E98 T99R89-R96 VanDerWaalsContact CZ-CZ 3.43Å; E93-R96 PolarHBondContact O-N 2.77Å; E93-R96 IonicContact OE1-CZ 3.6Å; E93-R96 IonicContact OE1-NH1 3.87Å; E93-R96 PolarHBondContact OE1-NH1 3.44Å; E93-R96 IonicContact OE1-NH2 2.77Å; E93-R96 PolarHBondContact OE1-NH2 3.07Å; E93-R96 VanDerWaalsContact OE1-NH2 3.09Å; R96-E98 PolarHBondContact O-N 3Å; R96-T99 WeakPolarHBondContact O-CB 3.37Å; R96-T99 WeakPolarHBondContact O-CG2 3.26Å; R96-T99 PolarHBondContact O-N 2.99Å; R96-T99 PolarHBondContact O-OG1 3.09Å
97R98.1Very high98.2Very high126 Ų12644.6 Ų44.648%0.47522%0.217SC..THydrogen-bonded Turntrans-69.4-14.2177.4-70.2177.664.2-137.6-7.2113.6S67 L68 R95 T99 E100S67-R97 PolarHBondContact OG-NH1 2.99Å; L68-R97 HydrophobicContact CD1-CB 4.28Å; L68-R97 HydrophobicContact CD2-CB 3.9Å; R95-R97 VanDerWaalsContact C-N 3.26Å; R95-R97 PolarHBondContact O-N 2.9Å; R97-T99 PolarHBondContact O-N 2.82Å; R97-E100 PolarHBondContact O-N 2.96Å
98E98.1Very high98.1Very high4 Ų450.5 Ų50.52%0.01925%0.248CC..Hα-helixtrans-63.9-28.2175.6-63.1169.8-156.300112.2L68 C71 R95 R96 E100 M102L68-E98 HydrophobicContact CB-CG 4.2Å; L68-E98 HydrophobicContact CD1-CG 3.94Å; L68-E98 HydrophobicContact CD2-CG 4.39Å; L68-E98 HydrophobicContact CG-CG 4.4Å; C71-E98 HydrophobicContact CB-CG 4.22Å; R95-E98 WeakPolarHBondContact CA-OE1 3.29Å; R95-E98 VanDerWaalsContact CB-OE1 3.25Å; R95-E98 WeakPolarHBondContact CB-OE1 3.19Å; R95-E98 WeakPolarHBondContact CG-OE1 3.4Å; R95-E98 IonicContact CZ-OE1 3.7Å; R95-E98 IonicContact CZ-OE2 3.54Å; R95-E98 IonicContact NE-OE1 2.87Å; R95-E98 PolarHBondContact NE-OE1 3.48Å; R95-E98 IonicContact NE-OE2 3.95Å; R95-E98 PolarHBondContact NE-OE2 2.89Å; R95-E98 VanDerWaalsContact NE-OE2 3.14Å; R95-E98 IonicContact NH2-OE1 2.66Å; R95-E98 IonicContact NH2-OE2 3.83Å; R95-E98 PolarHBondContact NH2-OE2 2.91Å; R95-E98 WeakPolarHBondContact O-CB 3.26Å; R95-E98 VanDerWaalsContact O-CG 3.28Å; R95-E98 WeakPolarHBondContact O-CG 3.49Å; R95-E98 PolarHBondContact O-N 2.76Å; R96-E98 PolarHBondContact O-N 3Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.01Å; E98-M102 PolarHBondContact O-N 2.97Å
99T97.9Very high98Very high23 Ų2351.1 Ų51.114%0.14125%0.251CS..Hα-helixtrans-66.4-26.8-177.963.10000113.5A77 I87 T88 P90 R96 R97 M102 K103A77-T99 HydrophobicContact CB-CG2 4.1Å; I87-T99 HydrophobicContact CG2-CG2 4.16Å; T88-T99 WeakPolarHBondContact O-CG2 3.44Å; P90-T99 HydrophobicContact CG-CG2 3.95Å; R96-T99 WeakPolarHBondContact O-CB 3.37Å; R96-T99 WeakPolarHBondContact O-CG2 3.26Å; R96-T99 PolarHBondContact O-N 2.99Å; R96-T99 PolarHBondContact O-OG1 3.09Å; R97-T99 PolarHBondContact O-N 2.82Å; T99-M102 PolarHBondContact O-N 3.05Å; T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.33Å; T99-K103 PolarHBondContact O-N 2.85Å
100E97.8Very high97.8Very high113 Ų11354.7 Ų54.753%0.52827%0.274SS..Hα-helixtrans-61.8-51-177.9-64.2173.1-165.400111.1R97 E98 K103 E104R97-E100 PolarHBondContact O-N 2.96Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.01Å; E100-K103 PolarHBondContact O-N 2.57Å; E100-E104 PolarHBondContact O-N 2.92Å
101V97.7Very high97.8Very high50 Ų5055.4 Ų55.430%0.30328%0.278SS..Hα-helixtrans-70.3-36.8179.6-177.80000110.9L62 E104 A105L62-V101 HydrophobicContact CB-CG1 4.31Å; L62-V101 HydrophobicContact CD1-CG1 3.88Å; L62-V101 HydrophobicContact CD2-CG1 3.89Å; L62-V101 HydrophobicContact CG-CG1 4.24Å; V101-E104 PolarHBondContact O-N 2.89Å; V101-A105 WeakPolarHBondContact O-CB 3.38Å; V101-A105 PolarHBondContact O-N 3.28Å; V101-A105 VanDerWaalsContact O-N 3.1Å
102M98.4Very high97.7Very high2 Ų258.9 Ų58.91%0.0129%0.292CS..Hα-helixtrans-61.4-45.2176.118053.968.500111.4V15 L62 V74 A77 A78 I87 E98 T99 E104 A105 L106 V274V15-M102 HydrophobicContact CB-CE 4.37Å; V15-M102 HydrophobicContact CB-SD 4.47Å; V15-M102 HydrophobicContact CG1-CE 3.82Å; V15-M102 HydrophobicContact CG1-SD 4.1Å; L62-M102 HydrophobicContact CD1-CE 4.31Å; V74-M102 HydrophobicContact CB-CE 3.51Å; V74-M102 HydrophobicContact CG1-CE 3.79Å; A77-M102 HydrophobicContact CB-CB 4.13Å; A77-M102 HydrophobicContact CB-CG 4.19Å; A78-M102 HydrophobicContact CB-CG 3.63Å; A78-M102 HydrophobicContact CB-SD 4.21Å; I87-M102 HydrophobicContact CD1-CG 4.39Å; E98-M102 PolarHBondContact O-N 2.97Å; T99-M102 PolarHBondContact O-N 3.05Å; M102-E104 PolarHBondContact O-N 3.02Å; M102-A105 PolarHBondContact O-N 3Å; M102-L106 HydrophobicContact CG-CD1 3.87Å; M102-L106 HydrophobicContact CG-CG 4.29Å; M102-L106 VanDerWaalsContact O-CG 3.32Å; M102-L106 WeakPolarHBondContact O-CG 3.32Å; M102-L106 PolarHBondContact O-N 2.94Å; M102-L106 HydrophobicContact SD-CD1 3.71Å; M102-L106 HydrophobicContact SD-CD2 4.06Å; M102-L106 HydrophobicContact SD-CG 3.7Å; M102-V274 HydrophobicContact CE-CG2 3.97Å; M102-V274 HydrophobicContact SD-CG2 4.42Å
103K98.5Very high97.7Very high52 Ų5260.6 Ų60.623%0.22630%0.299CS..Hα-helixtrans-56.8-49.4178173-179.7171.4179.40112.2I87 T99 E100 A105 L106 K107 I113 E115I87-K103 HydrophobicContact CD1-CB 3.98Å; I87-K103 HydrophobicContact CG1-CB 4.05Å; I87-K103 HydrophobicContact CG1-CG 4.3Å; T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.33Å; T99-K103 PolarHBondContact O-N 2.85Å; E100-K103 PolarHBondContact O-N 2.57Å; K103-A105 VanDerWaalsContact C-N 3.34Å; K103-A105 PolarHBondContact O-N 3.31Å; K103-L106 PolarHBondContact O-N 2.66Å; K103-K107 VanDerWaalsContact O-CB 3.29Å; K103-K107 WeakPolarHBondContact O-CB 3.27Å; K103-K107 PolarHBondContact O-N 3.48Å; K103-I113 HydrophobicContact CG-CG2 4.26Å; K103-E115 WeakPolarHBondContact CD-OE2 3.4Å; K103-E115 VanDerWaalsContact CE-CD 3.49Å; K103-E115 WeakPolarHBondContact CE-OE1 3.44Å; K103-E115 WeakPolarHBondContact CE-OE2 3.07Å; K103-E115 IonicContact NZ-OE1 2.92Å; K103-E115 PolarHBondContact NZ-OE1 3.31Å; K103-E115 IonicContact NZ-OE2 2.63Å; K103-E115 PolarHBondContact NZ-OE2 3.13Å
104E98.3Very high97.8Very high89 Ų8956.6 Ų56.642%0.41628%0.283SS..Hα-helixtrans-63.7-41.4179.2-64.5-53.5128.600111.2E100 V101 M102 L106 K107 D108E100-E104 PolarHBondContact O-N 2.92Å; V101-E104 PolarHBondContact O-N 2.89Å; M102-E104 PolarHBondContact O-N 3.02Å; E104-L106 PolarHBondContact O-N 2.84Å; E104-K107 WeakPolarHBondContact O-CB 3.19Å; E104-K107 PolarHBondContact O-N 3.34Å; E104-K107 IonicContact OE2-NZ 3.59Å; E104-D108 WeakPolarHBondContact O-CB 3.38Å; E104-D108 PolarHBondContact O-N 3.09Å
105A98.2Very high97.8Very high8 Ų857.7 Ų57.77%0.06628%0.281CS..Hα-helixtrans-61.5-43177.200000113.1V15 L62 V101 M102 K103 K107 D108 L109V15-A105 HydrophobicContact CG1-CB 4.48Å; L62-A105 HydrophobicContact CD1-CB 4.44Å; L62-A105 HydrophobicContact CD2-CB 3.82Å; V101-A105 WeakPolarHBondContact O-CB 3.38Å; V101-A105 PolarHBondContact O-N 3.28Å; V101-A105 VanDerWaalsContact O-N 3.1Å; M102-A105 PolarHBondContact O-N 3Å; K103-A105 VanDerWaalsContact C-N 3.34Å; K103-A105 PolarHBondContact O-N 3.31Å; A105-K107 VanDerWaalsContact C-N 3.35Å; A105-D108 PolarHBondContact O-N 2.87Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.12Å; A105-L109 VanDerWaalsContact O-N 3.1Å
106L98.1Very high97.8Very high0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-71.6-31.5178.8-64.2-179.6000112.2V15 A78 V80 A85 I87 M102 K103 E104 L109 N110 L111 I113 V274 I276V15-L106 HydrophobicContact CG2-CD2 3.99Å; A78-L106 HydrophobicContact CB-CD1 3.59Å; V80-L106 HydrophobicContact CG2-CD1 4.22Å; V80-L106 HydrophobicContact CG2-CD2 4.36Å; A85-L106 HydrophobicContact CB-CB 4.36Å; A85-L106 HydrophobicContact CB-CD1 3.73Å; I87-L106 HydrophobicContact CD1-CD1 3.84Å; M102-L106 HydrophobicContact CG-CD1 3.87Å; M102-L106 HydrophobicContact CG-CG 4.29Å; M102-L106 VanDerWaalsContact O-CG 3.32Å; M102-L106 WeakPolarHBondContact O-CG 3.32Å; M102-L106 PolarHBondContact O-N 2.94Å; M102-L106 HydrophobicContact SD-CD1 3.71Å; M102-L106 HydrophobicContact SD-CD2 4.06Å; M102-L106 HydrophobicContact SD-CG 3.7Å; K103-L106 PolarHBondContact O-N 2.66Å; E104-L106 PolarHBondContact O-N 2.84Å; L106-L109 CarbonylContact O-C 3.56Å; L106-L109 PolarHBondContact O-N 2.63Å; L106-N110 PolarHBondContact O-N 3.32Å; L106-L111 HydrophobicContact CB-CD1 4.19Å; L106-L111 HydrophobicContact CD2-CD1 3.9Å; L106-L111 WeakPolarHBondContact O-CB 3.48Å; L106-L111 PolarHBondContact O-N 3Å; L106-L111 VanDerWaalsContact O-N 3.12Å; L106-I113 HydrophobicContact CB-CD1 3.85Å; L106-V274 HydrophobicContact CD2-CG1 4.46Å; L106-I276 HydrophobicContact CD2-CD1 3.5Å; L106-I276 VanDerWaalsContact CD2-CD1 3.5Å; L106-I276 HydrophobicContact CD2-CG1 4.43Å
107K97.3Very high97.7Very high114 Ų11460.4 Ų60.450%0.49631%0.305SS..Hα-helixtrans-68.6-41.9173.1-176.4-176.5172.9-165.80111.8K103 E104 A105 L109 N110 I113K103-K107 VanDerWaalsContact O-CB 3.29Å; K103-K107 WeakPolarHBondContact O-CB 3.27Å; K103-K107 PolarHBondContact O-N 3.48Å; E104-K107 WeakPolarHBondContact O-CB 3.19Å; E104-K107 PolarHBondContact O-N 3.34Å; E104-K107 IonicContact OE2-NZ 3.59Å; A105-K107 VanDerWaalsContact C-N 3.35Å; K107-L109 PolarHBondContact O-N 2.76Å; K107-N110 WeakPolarHBondContact O-CA 3.18Å; K107-N110 PolarHBondContact O-N 3.34Å; K107-I113 HydrophobicContact CB-CG1 4.26Å
108D96.8Very high97.7Very high127 Ų12756.5 Ų56.568%0.67929%0.294SS*.Hα-helixtrans-63.7-26.9173.5-74.3-13.6000111.9E104 A105 N110E104-D108 WeakPolarHBondContact O-CB 3.38Å; E104-D108 PolarHBondContact O-N 3.09Å; A105-D108 PolarHBondContact O-N 2.87Å; D108-N110 PolarHBondContact O-N 2.79Å
109L96.1Very high97.6Very high18 Ų1863.8 Ų63.89%0.09433%0.328CS..THydrogen-bonded Turntrans-81.89.5169.9-68.2173.9000113.8V15 V60 A105 L106 K107 L111 I276 K278V15-L109 HydrophobicContact CG2-CD1 3.84Å; V60-L109 HydrophobicContact CG2-CD1 4.16Å; V60-L109 HydrophobicContact CG2-CD2 4.16Å; V60-L109 HydrophobicContact CG2-CG 4.45Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.12Å; A105-L109 VanDerWaalsContact O-N 3.1Å; L106-L109 CarbonylContact O-C 3.56Å; L106-L109 PolarHBondContact O-N 2.63Å; K107-L109 PolarHBondContact O-N 2.76Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.38Å; L109-I276 HydrophobicContact CD1-CD1 3.41Å; L109-I276 VanDerWaalsContact CD1-CD1 3.41Å; L109-K278 WeakPolarHBondContact O-CE 3.42Å; L109-K278 PolarHBondContact O-NZ 2.95Å
110N96Very high97.6Very high120 Ų12068.6 Ų68.664%0.64235%0.352SS*.THydrogen-bonded Turntrans61.529.7177.4-52.690.7000115L106 K107 D108 K278L106-N110 PolarHBondContact O-N 3.32Å; K107-N110 WeakPolarHBondContact O-CA 3.18Å; K107-N110 PolarHBondContact O-N 3.34Å; D108-N110 PolarHBondContact O-N 2.79Å; N110-K278 PolarHBondContact OD1-NZ 2.92Å
111L97.1Very high97.7Very high14 Ų1463.2 Ų63.27%0.07333%0.327CS..PPolyproline II helixtrans-81.9149.9172.9-62.5177000111.3V80 A85 L106 L109 I113 I276V80-L111 HydrophobicContact CG1-CD1 3.97Å; V80-L111 HydrophobicContact CG2-CD1 4.22Å; A85-L111 HydrophobicContact CB-CB 4.18Å; A85-L111 HydrophobicContact CB-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD1 4.19Å; L106-L111 HydrophobicContact CD2-CD1 3.9Å; L106-L111 WeakPolarHBondContact O-CB 3.48Å; L106-L111 PolarHBondContact O-N 3Å; L106-L111 VanDerWaalsContact O-N 3.12Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-I113 HydrophobicContact CB-CD1 4.32Å; L111-I113 PolarHBondContact O-N 3.03Å; L111-I276 HydrophobicContact CD1-CD1 4.19Å; L111-I276 HydrophobicContact CD1-CG1 4.36Å; L111-I276 HydrophobicContact CD1-CG2 4.06Å; L111-I276 HydrophobicContact CD2-CG2 4.16Å
112N97.4Very high97.7Very high94 Ų9461.9 Ų61.950%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-73116.3169.5-61.4-62.1000108.7E83 T84 A85E83-N112 WeakPolarHBondContact O-CB 3.27Å; E83-N112 PolarHBondContact O-N 2.9Å; E83-N112 PolarHBondContact O-ND2 3.09Å; E83-N112 VanDerWaalsContact O-ND2 3.1Å; T84-N112 CarbonylContact C-O 3.59Å; T84-N112 WeakPolarHBondContact CA-O 3.39Å; A85-N112 PolarHBondContact N-O 3.05Å
113I98.4Very high97.7Very high48 Ų4861.8 Ų61.825%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-91.4126-175.6-55.5-52.4000110.4A85 I87 K103 L106 K107 L111 E115A85-I113 HydrophobicContact CB-CD1 3.96Å; I87-I113 HydrophobicContact CG1-CG2 3.72Å; K103-I113 HydrophobicContact CG-CG2 4.26Å; L106-I113 HydrophobicContact CB-CD1 3.85Å; K107-I113 HydrophobicContact CB-CG1 4.26Å; L111-I113 HydrophobicContact CB-CD1 4.32Å; L111-I113 PolarHBondContact O-N 3.03Å; I113-E115 HydrophobicContact CG2-CG 3.86Å
114V98.4Very high97.8Very high53 Ų5359.3 Ų59.332%0.32131%0.308SS..EExtended strand (participates in β ladder)trans-115.1132.8166.3179.90000107.6T84 A85 L86 I87 A154T84-V114 HydrophobicContact CG2-CG2 3.9Å; A85-V114 PolarHBondContact O-N 3.2Å; L86-V114 CarbonylContact C-O 3.57Å; L86-V114 WeakPolarHBondContact CA-O 3.15Å; L86-V114 HydrophobicContact CD1-CB 4.24Å; L86-V114 HydrophobicContact CD1-CG1 3.91Å; I87-V114 PolarHBondContact N-O 3.32Å; V114-A154 HydrophobicContact CG1-CB 4.13Å
115E98.3Very high97.8Very high88 Ų8855.1 Ų55.141%0.41129%0.289SS..EExtended strand (participates in β ladder)trans-115.5130.8-176.1-63.2179.5-113.200111.5I87 K103 I113 T117I87-E115 HydrophobicContact CB-CG 4.19Å; I87-E115 HydrophobicContact CG1-CG 4.32Å; K103-E115 WeakPolarHBondContact CD-OE2 3.4Å; K103-E115 VanDerWaalsContact CE-CD 3.49Å; K103-E115 WeakPolarHBondContact CE-OE1 3.44Å; K103-E115 WeakPolarHBondContact CE-OE2 3.07Å; K103-E115 IonicContact NZ-OE1 2.92Å; K103-E115 PolarHBondContact NZ-OE1 3.31Å; K103-E115 IonicContact NZ-OE2 2.63Å; K103-E115 PolarHBondContact NZ-OE2 3.13Å; I113-E115 HydrophobicContact CG2-CG 3.86Å; E115-T117 HydrophobicContact CB-CG2 4.02Å; E115-T117 PolarHBondContact O-N 2.63Å
116M98.3Very high97.8Very high11 Ų1154.8 Ų54.85%0.05429%0.286CS..  trans-76.790.1171.2-174.1175.6-63.500110.2L86 I87 R89 A121 L123 I150L86-M116 HydrophobicContact CD2-CE 4.44Å; I87-M116 WeakPolarHBondContact O-CB 3.42Å; I87-M116 PolarHBondContact O-N 3.35Å; R89-M116 HydrophobicContact CB-CB 4.16Å; R89-M116 HydrophobicContact CB-CG 3.86Å; R89-M116 HydrophobicContact CB-SD 3.79Å; M116-A121 HydrophobicContact CG-CB 3.83Å; M116-A121 HydrophobicContact SD-CB 3.69Å; M116-L123 HydrophobicContact CE-CB 3.6Å; M116-L123 HydrophobicContact CE-CD1 4.26Å; M116-L123 HydrophobicContact CE-CG 4.43Å; M116-L123 HydrophobicContact SD-CB 4.01Å; M116-I150 HydrophobicContact CB-CG2 4.44Å; M116-I150 HydrophobicContact CE-CB 4.08Å; M116-I150 HydrophobicContact CE-CG2 3.94Å; M116-I150 HydrophobicContact CG-CD1 3.94Å; M116-I150 HydrophobicContact CG-CG2 4.32Å
117T96.8Very high97.8Very high115 Ų11554.8 Ų54.871%0.70629%0.286SS*.  trans-96.5-12.7-176.452.50000114.5E115 E119E115-T117 HydrophobicContact CB-CG2 4.02Å; E115-T117 PolarHBondContact O-N 2.63Å; T117-E119 PolarHBondContact O-N 2.84Å
118D97.4Very high97.9Very high43 Ų4349.6 Ų49.623%0.2326%0.264CS..  trans-66.5118.5177.9-172.2-20.8000110.6N120 A121 R146 I150D118-N120 PolarHBondContact O-N 3.16Å; D118-N120 WeakPolarHBondContact OD1-CB 3.19Å; D118-N120 PolarHBondContact OD1-N 3.07Å; D118-N120 PolarHBondContact OD1-ND2 2.92Å; D118-N120 VanDerWaalsContact OD1-ND2 3.17Å; D118-A121 HydrophobicContact CB-CB 3.98Å; D118-A121 WeakPolarHBondContact O-CB 3.38Å; D118-A121 PolarHBondContact O-N 3.48Å; D118-R146 IonicContact OD2-CZ 3.58Å; D118-R146 IonicContact OD2-NE 2.83Å; D118-R146 PolarHBondContact OD2-NE 3.32Å; D118-R146 IonicContact OD2-NH2 3.41Å; D118-R146 PolarHBondContact OD2-NH2 3.36Å; D118-I150 HydrophobicContact CB-CD1 3.88Å
119E97.1Very high98Very high158 Ų15843.8 Ų43.874%0.73823%0.233SC*.THydrogen-bonded Turntrans-65.1-22.2-177.6-64.3-175.2170.200113.3R89 T117 A121R89-E119 VanDerWaalsContact CZ-O 3.28Å; R89-E119 PolarHBondContact NH1-O 3.05Å; R89-E119 PolarHBondContact NH2-O 2.75Å; T117-E119 PolarHBondContact O-N 2.84Å; E119-A121 VanDerWaalsContact C-N 3.31Å
120N97.8Very high98.1Very high123 Ų12345.3 Ų45.366%0.65824%0.239SC*.THydrogen-bonded Turntrans-84-8176.1-54-69.7000112.4D118 N144D118-N120 PolarHBondContact O-N 3.16Å; D118-N120 WeakPolarHBondContact OD1-CB 3.19Å; D118-N120 PolarHBondContact OD1-N 3.07Å; D118-N120 PolarHBondContact OD1-ND2 2.92Å; D118-N120 VanDerWaalsContact OD1-ND2 3.17Å; N120-N144 PolarHBondContact O-ND2 3.32Å
121A98.6Very high98.2Very high0 Ų039.6 Ų39.60%021%0.208CC..  trans-94.8139.917900000111.5R89 M116 D118 E119 R146 I150R89-A121 WeakPolarHBondContact CD-O 3.19Å; R89-A121 PolarHBondContact NH1-O 2.5Å; M116-A121 HydrophobicContact CG-CB 3.83Å; M116-A121 HydrophobicContact SD-CB 3.69Å; D118-A121 HydrophobicContact CB-CB 3.98Å; D118-A121 WeakPolarHBondContact O-CB 3.38Å; D118-A121 PolarHBondContact O-N 3.48Å; E119-A121 VanDerWaalsContact C-N 3.31Å; A121-R146 HydrophobicContact CB-CB 4.24Å; A121-R146 HydrophobicContact CB-CG 3.79Å; A121-I150 HydrophobicContact CB-CD1 3.52Å
122T98.8Very high98.1Very high22 Ų2239.1 Ų39.114%0.13521%0.207CC..  trans-138.8141.5165.663.90000109.9R89 R142 T143 N144R89-T122 VanDerWaalsContact O-CA 3.28Å; R89-T122 WeakPolarHBondContact O-CA 3.47Å; T122-R142 CarbonylContact C-O 3.24Å; T122-R142 WeakPolarHBondContact CB-O 3.43Å; T122-R142 PolarHBondContact OG1-O 2.9Å; T122-T143 WeakPolarHBondContact O-CA 3.42Å; T122-N144 PolarHBondContact N-OD1 3.09Å; T122-N144 PolarHBondContact O-N 3.42Å; T122-N144 PolarHBondContact O-OD1 2.81Å
123L98.9Very high98Very high0 Ų038.5 Ų38.50%020%0.197CC..  trans-153.8130.5175.4-174.2144.7000109.3V79 T88 R89 M116 V128 V137 T143 G147 L151V79-L123 HydrophobicContact CG2-CD2 4.14Å; T88-L123 VanDerWaalsContact CB-O 3.26Å; T88-L123 WeakPolarHBondContact CB-O 3.41Å; T88-L123 HydrophobicContact CG2-CD2 3.52Å; T88-L123 PolarHBondContact OG1-O 2.94Å; R89-L123 CarbonylContact C-O 3.44Å; R89-L123 PolarHBondContact O-N 2.99Å; M116-L123 HydrophobicContact CE-CB 3.6Å; M116-L123 HydrophobicContact CE-CD1 4.26Å; M116-L123 HydrophobicContact CE-CG 4.43Å; M116-L123 HydrophobicContact SD-CB 4.01Å; L123-V128 HydrophobicContact CD1-CG2 4.26Å; L123-V128 HydrophobicContact CD2-CG2 3.93Å; L123-V128 HydrophobicContact CG-CG2 4.37Å; L123-V137 HydrophobicContact CD1-CG1 4.32Å; L123-T143 WeakPolarHBondContact CA-OG1 3.27Å; L123-T143 HydrophobicContact CB-CG2 4.1Å; L123-T143 HydrophobicContact CD1-CG2 4.03Å; L123-T143 HydrophobicContact CG-CG2 3.83Å; L123-G147 WeakPolarHBondContact CD1-O 3.37Å; L123-L151 HydrophobicContact CD1-CB 4.04Å; L123-L151 HydrophobicContact CD1-CD1 3.77Å
124D98.9Very high98Very high0 Ų036.6 Ų36.60%019%0.187CC..  trans-104.5129.7166.9-78.916.5000107.4D76 P90 G91 G126 D127 R142 T143 H170D76-D124 HydrophobicContact CB-CB 4.12Å; P90-D124 WeakPolarHBondContact CA-OD1 3.44Å; G91-D124 PolarHBondContact N-OD1 3.41Å; D124-G126 PolarHBondContact O-N 3.21Å; D124-G126 VanDerWaalsContact O-N 3.13Å; D124-D127 WeakPolarHBondContact O-CB 3.17Å; D124-D127 PolarHBondContact O-N 3.3Å; D124-R142 HydrophobicContact CB-CB 4Å; D124-R142 VanDerWaalsContact CG-CB 3.5Å; D124-R142 VanDerWaalsContact OD2-CB 3.25Å; D124-R142 WeakPolarHBondContact OD2-CB 3.35Å; D124-R142 VanDerWaalsContact OD2-CG 3.27Å; D124-R142 WeakPolarHBondContact OD2-CG 3.49Å; D124-R142 IonicContact OD2-CZ 3.14Å; D124-R142 IonicContact OD2-NH1 3.36Å; D124-R142 PolarHBondContact OD2-NH1 2.81Å; D124-T143 PolarHBondContact N-OG1 3.27Å; D124-H170 VanDerWaalsContact CB-NE2 3.3Å; D124-H170 WeakPolarHBondContact CB-NE2 3.35Å; D124-H170 IonicContact OD2-CD2 3.75Å; D124-H170 IonicContact OD2-CE1 3.33Å; D124-H170 IonicContact OD2-NE2 3.09Å; D124-H170 PolarHBondContact OD2-NE2 2.93Å
125G98.7Very high98Very high1 Ų134 Ų341%0.0117%0.172CC..G310 helixtrans-58.2-21.5177.300000114.7E75 D76 D127 V128 K172E75-G125 WeakPolarHBondContact O-CA 3.36Å; D76-G125 PolarHBondContact O-N 3.3Å; G125-D127 PolarHBondContact O-N 3Å; G125-V128 PolarHBondContact O-N 3.21Å; G125-K172 WeakPolarHBondContact O-CE 3.33Å; G125-K172 PolarHBondContact O-NZ 2.98Å
126G98.5Very high98.1Very high1 Ų129.9 Ų29.91%0.0115%0.153CC..G310 helixtrans-58.8-25.3168.400000114D76 D124 V128 H170 K172D76-G126 WeakPolarHBondContact OD1-CA 3.35Å; D76-G126 PolarHBondContact OD1-N 2.87Å; D124-G126 PolarHBondContact O-N 3.21Å; D124-G126 VanDerWaalsContact O-N 3.13Å; G126-V128 VanDerWaalsContact C-N 3.29Å; G126-H170 VanDerWaalsContact C-CB 3.48Å; G126-H170 WeakPolarHBondContact O-CB 3.44Å; G126-K172 VanDerWaalsContact O-CB 3.25Å; G126-K172 WeakPolarHBondContact O-CB 3.41Å; G126-K172 WeakPolarHBondContact O-CE 3.4Å; G126-K172 WeakPolarHBondContact O-CG 3.18Å; G126-K172 PolarHBondContact O-N 3.2Å; G126-K172 VanDerWaalsContact O-N 3.12Å
127D98.8Very high98.1Very high0 Ų029.3 Ų29.30%015%0.15CC..G310 helixtrans-81.7-6.4174.5-83-48.9000113.5D124 G125 V137 G138 S140 T143 H170 L171D124-D127 WeakPolarHBondContact O-CB 3.17Å; D124-D127 PolarHBondContact O-N 3.3Å; G125-D127 PolarHBondContact O-N 3Å; D127-V137 CarbonylContact O-C 3.51Å; D127-V137 WeakPolarHBondContact O-CA 3.4Å; D127-G138 PolarHBondContact O-N 2.97Å; D127-S140 WeakPolarHBondContact OD2-CB 3.16Å; D127-S140 PolarHBondContact OD2-OG 2.95Å; D127-T143 HydrophobicContact CB-CG2 4.34Å; D127-T143 WeakPolarHBondContact CB-OG1 3.47Å; D127-T143 WeakPolarHBondContact OD2-CB 3.42Å; D127-T143 PolarHBondContact OD2-OG1 3.26Å; D127-H170 WeakPolarHBondContact OD1-CA 3.24Å; D127-H170 IonicContact OD2-CD2 3.91Å; D127-H170 PolarHBondContact OD2-CD2 2.91Å; D127-L171 PolarHBondContact OD1-N 3.43Å
128V98.9Very high98.2Very high6 Ų623.9 Ų23.94%0.03612%0.116CC..EExtended strand (participates in β ladder)trans-103.6113.3-172.9-176.20000111V79 L123 G125 G126 F135 V137 L151 K172V79-V128 HydrophobicContact CG1-CG1 4.09Å; V79-V128 HydrophobicContact CG2-CB 4.24Å; V79-V128 HydrophobicContact CG2-CG1 4.4Å; V79-V128 HydrophobicContact CG2-CG2 3.99Å; L123-V128 HydrophobicContact CD1-CG2 4.26Å; L123-V128 HydrophobicContact CD2-CG2 3.93Å; L123-V128 HydrophobicContact CG-CG2 4.37Å; G125-V128 PolarHBondContact O-N 3.21Å; G126-V128 VanDerWaalsContact C-N 3.29Å; V128-F135 HydrophobicContact CG1-CD1 3.63Å; V128-F135 HydrophobicContact CG1-CE1 4.16Å; V128-V137 HydrophobicContact CG2-CG2 4.44Å; V128-L151 HydrophobicContact CB-CD1 4.37Å; V128-L151 HydrophobicContact CG1-CD1 3.84Å; V128-L151 HydrophobicContact CG2-CD1 3.56Å; V128-K172 WeakPolarHBondContact O-CD 3.37Å; V128-K172 VanDerWaalsContact O-CE 3.26Å; V128-K172 WeakPolarHBondContact O-CE 3.28Å; V128-K172 PolarHBondContact O-NZ 3.42Å
129L98.8Very high98.2Very high5 Ų524.2 Ų24.23%0.02612%0.118CC..EExtended strand (participates in β ladder)trans-103.9105.7171.1-178.570.3000109.8F135 F136 L171 M177 M198L129-F135 WeakPolarHBondContact O-CA 3.45Å; L129-F136 HydrophobicContact CB-CB 4.36Å; L129-F136 HydrophobicContact CD2-CD2 4.32Å; L129-F136 PolarHBondContact N-O 3.48Å; L129-F136 PolarHBondContact O-N 3.31Å; L129-L171 HydrophobicContact CB-CD2 4.13Å; L129-M177 HydrophobicContact CD1-CG 3.88Å; L129-M177 HydrophobicContact CD1-SD 4.24Å; L129-M198 HydrophobicContact CD2-CE 4.5Å; L129-M198 HydrophobicContact CD2-SD 3.97Å
130F98.5Very high98.3Very high49 Ų4917.9 Ų17.922%0.2159%0.091CC..EExtended strand (participates in β ladder)trans-90.4122.1171.1-179.3-124.5000110.8F8 G132 E134 F135 Y158 M177F8-F130 HydrophobicContact CE2-CD1 4.29Å; F8-F130 HydrophobicContact CE2-CE1 4.47Å; F130-G132 VanDerWaalsContact CZ-CA 3.47Å; F130-E134 WeakPolarHBondContact CD2-O 3.3Å; F130-F135 HydrophobicContact CB-CD1 3.76Å; F130-F135 HydrophobicContact CB-CE1 3.58Å; F130-F135 HydrophobicContact CB-CZ 4.41Å; F130-F135 AromaticContact CD2-CD1 3.71Å; F130-F135 HydrophobicContact CD2-CD1 3.71Å; F130-F135 HydrophobicContact CD2-CD2 4.06Å; F130-F135 AromaticContact CD2-CE1 3.39Å; F130-F135 HydrophobicContact CD2-CE1 3.39Å; F130-F135 AromaticContact CD2-CE2 3.75Å; F130-F135 HydrophobicContact CD2-CE2 3.75Å; F130-F135 HydrophobicContact CD2-CG 4.05Å; F130-F135 AromaticContact CD2-CZ 3.41Å; F130-F135 HydrophobicContact CD2-CZ 3.41Å; F130-F135 VanDerWaalsContact CD2-CZ 3.41Å; F130-F135 HydrophobicContact CE2-CD2 4.46Å; F130-F135 HydrophobicContact CE2-CE1 4.26Å; F130-F135 AromaticContact CE2-CE2 3.91Å; F130-F135 HydrophobicContact CE2-CE2 3.91Å; F130-F135 AromaticContact CE2-CZ 3.81Å; F130-F135 HydrophobicContact CE2-CZ 3.81Å; F130-F135 HydrophobicContact CG-CD1 4.13Å; F130-F135 AromaticContact CG-CE1 3.67Å; F130-F135 HydrophobicContact CG-CE1 3.67Å; F130-F135 HydrophobicContact CG-CZ 4.02Å; F130-Y158 AromaticContact CE2-CD1 3.77Å; F130-Y158 HydrophobicContact CE2-CD1 3.77Å; F130-Y158 HydrophobicContact CE2-CD2 4.35Å; F130-Y158 AromaticContact CE2-CE1 3.72Å; F130-Y158 HydrophobicContact CE2-CE1 3.72Å; F130-Y158 HydrophobicContact CE2-CE2 4.3Å; F130-Y158 HydrophobicContact CE2-CG 4.08Å; F130-Y158 AromaticContact CE2-CZ 4Å; F130-Y158 HydrophobicContact CZ-CD1 4.31Å; F130-Y158 AromaticContact CZ-CE1 3.78Å; F130-Y158 HydrophobicContact CZ-CE1 3.78Å; F130-Y158 HydrophobicContact CZ-CE2 4.29Å; F130-Y158 AromaticContact CZ-CZ 3.76Å; F130-M177 WeakPolarHBondContact O-CG 3.37Å
131T97.8Very high98.2Very high0 Ų021.9 Ų21.90%010%0.103CC..  trans-93.1-2.2-175.570.60000113.9M5 R133 E134 F136 M177 Y206M5-T131 WeakPolarHBondContact CE-O 3.29Å; T131-R133 PolarHBondContact O-N 2.74Å; T131-R133 PolarHBondContact OG1-N 2.77Å; T131-R133 VanDerWaalsContact OG1-N 3.15Å; T131-E134 HydrophobicContact CG2-CG 4.42Å; T131-E134 PolarHBondContact N-O 2.68Å; T131-E134 PolarHBondContact OG1-N 2.88Å; T131-E134 VanDerWaalsContact OG1-N 3.1Å; T131-E134 PolarHBondContact OG1-O 3.37Å; T131-F136 HydrophobicContact CG2-CD2 3.91Å; T131-F136 HydrophobicContact CG2-CE2 3.86Å; T131-M177 HydrophobicContact CG2-SD 4Å; T131-Y206 HydrophobicContact CG2-CE1 4.03Å; T131-Y206 PolarHBondContact OG1-OH 3.4Å
132G95.4Very high98.2Very high4 Ų423.4 Ų23.44%0.04111%0.109CC..SBendtrans82-6.5-165.100000113.8F8 F130F8-G132 VanDerWaalsContact CE2-N 3.33Å; F130-G132 VanDerWaalsContact CZ-CA 3.47Å
133R95.6Very high98.2Very high81 Ų8122.5 Ų22.531%0.30610%0.103SC..SBendtrans-126.6-32.9179.4-54.9-176.2-174.4179.35.4113M5 T131 Y158M5-R133 HydrophobicContact CE-CG 4.03Å; M5-R133 HydrophobicContact SD-CG 4.4Å; M5-R133 PolarHBondContact SD-NE 3.32Å; M5-R133 PolarHBondContact SD-NH2 3.01Å; T131-R133 PolarHBondContact O-N 2.74Å; T131-R133 PolarHBondContact OG1-N 2.77Å; T131-R133 VanDerWaalsContact OG1-N 3.15Å; R133-Y158 WeakPolarHBondContact O-CD1 3.46Å
134E98Very high98.2Very high8 Ų825 Ų254%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-157172-179.168.9-162.2115.800109.8F130 T131 F136 A159 S202 H204 Y206F130-E134 WeakPolarHBondContact CD2-O 3.3Å; T131-E134 HydrophobicContact CG2-CG 4.42Å; T131-E134 PolarHBondContact N-O 2.68Å; T131-E134 PolarHBondContact OG1-N 2.88Å; T131-E134 VanDerWaalsContact OG1-N 3.1Å; T131-E134 PolarHBondContact OG1-O 3.37Å; E134-F136 HydrophobicContact CG-CE2 4.04Å; E134-F136 HydrophobicContact CG-CZ 4.19Å; E134-A159 WeakPolarHBondContact CA-O 3.27Å; E134-A159 HydrophobicContact CB-CB 4.06Å; E134-A159 WeakPolarHBondContact CB-O 3.32Å; E134-S202 WeakPolarHBondContact OE1-CB 3.48Å; E134-S202 PolarHBondContact OE1-OG 2.84Å; E134-S202 WeakPolarHBondContact OE2-CB 3.32Å; E134-S202 PolarHBondContact OE2-OG 3.48Å; E134-H204 IonicContact OE1-CD2 3.37Å; E134-H204 PolarHBondContact OE1-CD2 2.87Å; E134-Y206 WeakPolarHBondContact OE1-CE2 3.32Å; E134-Y206 PolarHBondContact OE1-OH 3.46Å
135F98.8Very high98.2Very high0 Ų029.3 Ų29.30%014%0.136CC..EExtended strand (participates in β ladder)trans-108.8134.7171.4-64.8-89.8000110.6V79 C81 V128 L129 F130 V137 L151 F155 Y158 A159 V160 S161V79-F135 HydrophobicContact CG1-CE1 4.36Å; C81-F135 HydrophobicContact CB-CZ 3.89Å; V128-F135 HydrophobicContact CG1-CD1 3.63Å; V128-F135 HydrophobicContact CG1-CE1 4.16Å; L129-F135 WeakPolarHBondContact O-CA 3.45Å; F130-F135 HydrophobicContact CB-CD1 3.76Å; F130-F135 HydrophobicContact CB-CE1 3.58Å; F130-F135 HydrophobicContact CB-CZ 4.41Å; F130-F135 AromaticContact CD2-CD1 3.71Å; F130-F135 HydrophobicContact CD2-CD1 3.71Å; F130-F135 HydrophobicContact CD2-CD2 4.06Å; F130-F135 AromaticContact CD2-CE1 3.39Å; F130-F135 HydrophobicContact CD2-CE1 3.39Å; F130-F135 AromaticContact CD2-CE2 3.75Å; F130-F135 HydrophobicContact CD2-CE2 3.75Å; F130-F135 HydrophobicContact CD2-CG 4.05Å; F130-F135 AromaticContact CD2-CZ 3.41Å; F130-F135 HydrophobicContact CD2-CZ 3.41Å; F130-F135 VanDerWaalsContact CD2-CZ 3.41Å; F130-F135 HydrophobicContact CE2-CD2 4.46Å; F130-F135 HydrophobicContact CE2-CE1 4.26Å; F130-F135 AromaticContact CE2-CE2 3.91Å; F130-F135 HydrophobicContact CE2-CE2 3.91Å; F130-F135 AromaticContact CE2-CZ 3.81Å; F130-F135 HydrophobicContact CE2-CZ 3.81Å; F130-F135 HydrophobicContact CG-CD1 4.13Å; F130-F135 AromaticContact CG-CE1 3.67Å; F130-F135 HydrophobicContact CG-CE1 3.67Å; F130-F135 HydrophobicContact CG-CZ 4.02Å; F135-V137 HydrophobicContact CB-CG2 4.5Å; F135-L151 HydrophobicContact CB-CD2 4.2Å; F135-L151 HydrophobicContact CD1-CD2 4.25Å; F135-L151 HydrophobicContact CD2-CD2 4.26Å; F135-L151 HydrophobicContact CG-CD2 4Å; F135-F155 HydrophobicContact CE2-CB 3.75Å; F135-F155 HydrophobicContact CE2-CD2 4.19Å; F135-F155 HydrophobicContact CE2-CG 4.08Å; F135-F155 HydrophobicContact CZ-CB 4.22Å; F135-F155 AromaticContact CZ-CD2 3.96Å; F135-F155 HydrophobicContact CZ-CD2 3.96Å; F135-F155 HydrophobicContact CZ-CG 4.04Å; F135-Y158 HydrophobicContact CD2-CG 4.31Å; F135-Y158 AromaticContact CE2-CD2 3.81Å; F135-Y158 HydrophobicContact CE2-CD2 3.81Å; F135-Y158 AromaticContact CE2-CG 3.8Å; F135-Y158 HydrophobicContact CE2-CG 3.8Å; F135-A159 PolarHBondContact N-O 3.47Å; F135-V160 HydrophobicContact CB-CG1 4.32Å; F135-V160 HydrophobicContact CB-CG2 4.13Å; F135-V160 HydrophobicContact CD2-CG2 4.17Å; F135-V160 WeakPolarHBondContact O-CA 3.25Å; F135-S161 PolarHBondContact O-N 3.46Å
136F98.9Very high98.2Very high0 Ų033.8 Ų33.80%015%0.153CC..EExtended strand (participates in β ladder)trans-103.3129.1157.8-62.3-74000109L129 T131 E134 S161 V163 L171 M198 Y206L129-F136 HydrophobicContact CB-CB 4.36Å; L129-F136 HydrophobicContact CD2-CD2 4.32Å; L129-F136 PolarHBondContact N-O 3.48Å; L129-F136 PolarHBondContact O-N 3.31Å; T131-F136 HydrophobicContact CG2-CD2 3.91Å; T131-F136 HydrophobicContact CG2-CE2 3.86Å; E134-F136 HydrophobicContact CG-CE2 4.04Å; E134-F136 HydrophobicContact CG-CZ 4.19Å; F136-S161 CarbonylContact C-O 3.5Å; F136-S161 VanDerWaalsContact CA-O 3.3Å; F136-S161 WeakPolarHBondContact CA-O 3.3Å; F136-V163 HydrophobicContact CB-CG2 4.19Å; F136-V163 HydrophobicContact CD1-CG2 4.12Å; F136-L171 HydrophobicContact CB-CD2 3.99Å; F136-M198 HydrophobicContact CB-CG 4.18Å; F136-M198 HydrophobicContact CB-SD 3.78Å; F136-M198 HydrophobicContact CD1-CB 3.96Å; F136-M198 HydrophobicContact CD1-CG 3.62Å; F136-M198 HydrophobicContact CD1-SD 4.22Å; F136-M198 HydrophobicContact CD2-CB 4.36Å; F136-M198 HydrophobicContact CD2-CG 4.1Å; F136-M198 HydrophobicContact CD2-SD 3.73Å; F136-M198 HydrophobicContact CE1-CB 3.73Å; F136-M198 HydrophobicContact CE1-CG 3.94Å; F136-M198 WeakPolarHBondContact CE1-O 3.29Å; F136-M198 HydrophobicContact CE2-CB 4.13Å; F136-M198 HydrophobicContact CE2-CG 4.38Å; F136-M198 HydrophobicContact CE2-SD 4.34Å; F136-M198 HydrophobicContact CG-CB 4.26Å; F136-M198 HydrophobicContact CG-CG 3.69Å; F136-M198 HydrophobicContact CG-SD 3.64Å; F136-M198 HydrophobicContact CZ-CB 3.8Å; F136-M198 HydrophobicContact CZ-CG 4.3Å; F136-M198 WeakPolarHBondContact CZ-O 3.5Å; F136-Y206 HydrophobicContact CE2-CE2 4.2Å; F136-Y206 HydrophobicContact CZ-CE2 4.4Å
137V98.9Very high98.2Very high0 Ų033.7 Ų33.70%015%0.152CC..EExtended strand (participates in β ladder)trans-116.9119.6-179.3-177.10000109.5L123 D127 V128 F135 L139 T143 A148 L151 V160 S161 T162 V163L123-V137 HydrophobicContact CD1-CG1 4.32Å; D127-V137 CarbonylContact O-C 3.51Å; D127-V137 WeakPolarHBondContact O-CA 3.4Å; V128-V137 HydrophobicContact CG2-CG2 4.44Å; F135-V137 HydrophobicContact CB-CG2 4.5Å; V137-L139 PolarHBondContact O-N 3.39Å; V137-T143 HydrophobicContact CG1-CG2 3.76Å; V137-A148 HydrophobicContact CB-CB 4.21Å; V137-A148 HydrophobicContact CG1-CB 3.8Å; V137-L151 HydrophobicContact CG2-CD1 4.24Å; V137-L151 HydrophobicContact CG2-CD2 4.18Å; V137-V160 HydrophobicContact CG2-CG1 3.71Å; V137-S161 PolarHBondContact N-O 3.42Å; V137-T162 CarbonylContact O-C 3.6Å; V137-T162 WeakPolarHBondContact O-CA 3.44Å; V137-V163 PolarHBondContact O-N 2.89Å
138G98.8Very high98.2Very high0 Ų033.9 Ų33.90%015%0.154CC..EExtended strand (participates in β ladder)trans-64.3126.8173.300000111.6D127 T143 V163D127-G138 PolarHBondContact O-N 2.97Å; G138-T143 VanDerWaalsContact O-CB 3.25Å; G138-T143 WeakPolarHBondContact O-CB 3.27Å; G138-T143 VanDerWaalsContact O-CG2 3.29Å; G138-T143 WeakPolarHBondContact O-CG2 3.32Å; G138-V163 CarbonylContact C-O 3.59Å; G138-V163 VanDerWaalsContact CA-O 3.31Å; G138-V163 WeakPolarHBondContact CA-O 3.48Å
139L98.7Very high98.2Very high51 Ų5137.3 Ų37.327%0.26717%0.169SC..EExtended strand (participates in β ladder)trans-90106.5163.1-62.6-178.7000107.7V137 T162 V163 V165V137-L139 PolarHBondContact O-N 3.39Å; L139-T162 HydrophobicContact CD1-CG2 4.27Å; L139-T162 HydrophobicContact CD2-CG2 3.98Å; L139-T162 HydrophobicContact CG-CG2 4.11Å; L139-V163 PolarHBondContact N-O 2.92Å; L139-V165 PolarHBondContact O-N 3.44Å
140S98.1Very high98.2Very high25 Ų2538 Ų3818%0.17517%0.173CC..SBendtrans-129.8-172.5-168.577.90000110.7D127 R142 T143D127-S140 WeakPolarHBondContact OD2-CB 3.16Å; D127-S140 PolarHBondContact OD2-OG 2.95Å; S140-R142 PolarHBondContact O-N 3.25Å; S140-R142 PolarHBondContact OG-N 3.1Å; S140-T143 PolarHBondContact N-O 2.88Å; S140-T143 PolarHBondContact OG-N 3.45Å
141K96.9Very high98.2Very high207 Ų20735.7 Ų35.790%0.916%0.163SC*.SBendtrans-67.3-15.7168.8-67179.9-177.5171.70112.8
142R97.9Very high98.2Very high32 Ų3237.3 Ų37.312%0.12118%0.176CC..SBendtrans-106.5-34.8-175.1-59.7-63.3-171.674.50.9112.5G91 T122 D124 S140 L169G91-R142 WeakPolarHBondContact CA-O 3.39Å; T122-R142 CarbonylContact C-O 3.24Å; T122-R142 WeakPolarHBondContact CB-O 3.43Å; T122-R142 PolarHBondContact OG1-O 2.9Å; D124-R142 HydrophobicContact CB-CB 4Å; D124-R142 VanDerWaalsContact CG-CB 3.5Å; D124-R142 VanDerWaalsContact OD2-CB 3.25Å; D124-R142 WeakPolarHBondContact OD2-CB 3.35Å; D124-R142 VanDerWaalsContact OD2-CG 3.27Å; D124-R142 WeakPolarHBondContact OD2-CG 3.49Å; D124-R142 IonicContact OD2-CZ 3.14Å; D124-R142 IonicContact OD2-NH1 3.36Å; D124-R142 PolarHBondContact OD2-NH1 2.81Å; S140-R142 PolarHBondContact O-N 3.25Å; S140-R142 PolarHBondContact OG-N 3.1Å; R142-L169 HydrophobicContact CG-CD1 4.26Å
143T98.8Very high98.4Very high2 Ų241.8 Ų41.81%0.01220%0.199CC..  trans-114.3125.5-177.2-57.60000110.9T122 L123 D124 D127 V137 G138 S140T122-T143 WeakPolarHBondContact O-CA 3.42Å; L123-T143 WeakPolarHBondContact CA-OG1 3.27Å; L123-T143 HydrophobicContact CB-CG2 4.1Å; L123-T143 HydrophobicContact CD1-CG2 4.03Å; L123-T143 HydrophobicContact CG-CG2 3.83Å; D124-T143 PolarHBondContact N-OG1 3.27Å; D127-T143 HydrophobicContact CB-CG2 4.34Å; D127-T143 WeakPolarHBondContact CB-OG1 3.47Å; D127-T143 WeakPolarHBondContact OD2-CB 3.42Å; D127-T143 PolarHBondContact OD2-OG1 3.26Å; V137-T143 HydrophobicContact CG1-CG2 3.76Å; G138-T143 VanDerWaalsContact O-CB 3.25Å; G138-T143 WeakPolarHBondContact O-CB 3.27Å; G138-T143 VanDerWaalsContact O-CG2 3.29Å; G138-T143 WeakPolarHBondContact O-CG2 3.32Å; S140-T143 PolarHBondContact N-O 2.88Å; S140-T143 PolarHBondContact OG-N 3.45Å
144N98.8Very high98.5Very high52 Ų5238.9 Ų38.928%0.27819%0.192SC..  trans-109.7171.5179.874.911.8000112.3N120 T122 R146 G147 A148N120-N144 PolarHBondContact O-ND2 3.32Å; T122-N144 PolarHBondContact N-OD1 3.09Å; T122-N144 PolarHBondContact O-N 3.42Å; T122-N144 PolarHBondContact O-OD1 2.81Å; N144-R146 VanDerWaalsContact C-N 3.26Å; N144-R146 PolarHBondContact O-N 2.84Å; N144-R146 PolarHBondContact OD1-N 2.61Å; N144-G147 PolarHBondContact O-N 3.22Å; N144-G147 VanDerWaalsContact O-N 3.15Å; N144-G147 PolarHBondContact OD1-N 3.32Å; N144-A148 PolarHBondContact O-N 3.43Å; N144-A148 VanDerWaalsContact O-N 3.13Å
145Q98.7Very high98.5Very high92 Ų9239 Ų3943%0.4319%0.193SC..Hα-helixtrans-57.3-40.6-177.8-17559.542.200112.2G147 A148 E149Q145-G147 VanDerWaalsContact C-N 3.34Å; Q145-G147 PolarHBondContact O-N 3.24Å; Q145-A148 PolarHBondContact O-N 3.42Å; Q145-E149 WeakPolarHBondContact O-CG 3.36Å; Q145-E149 PolarHBondContact O-N 3.46Å
146R98.8Very high98.3Very high94 Ų9447 Ų4736%0.35523%0.227SC..Hα-helixtrans-65-38.2179.9-174.263.8-175.6143.67112.1D118 A121 N144 E149 I150D118-R146 IonicContact OD2-CZ 3.58Å; D118-R146 IonicContact OD2-NE 2.83Å; D118-R146 PolarHBondContact OD2-NE 3.32Å; D118-R146 IonicContact OD2-NH2 3.41Å; D118-R146 PolarHBondContact OD2-NH2 3.36Å; A121-R146 HydrophobicContact CB-CB 4.24Å; A121-R146 HydrophobicContact CB-CG 3.79Å; N144-R146 VanDerWaalsContact C-N 3.26Å; N144-R146 PolarHBondContact O-N 2.84Å; N144-R146 PolarHBondContact OD1-N 2.61Å; R146-E149 WeakPolarHBondContact CD-OE2 3.5Å; R146-E149 IonicContact NH1-OE2 3.07Å; R146-E149 PolarHBondContact NH1-OE2 3.19Å; R146-E149 VanDerWaalsContact NH1-OE2 3.07Å; R146-E149 PolarHBondContact O-N 3.18Å; R146-I150 HydrophobicContact CG-CD1 4.4Å; R146-I150 WeakPolarHBondContact O-CG1 3.49Å; R146-I150 PolarHBondContact O-N 2.93Å; R146-I150 VanDerWaalsContact O-N 3.09Å
147G98.8Very high98.2Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-62.9-42.5173.500000112.5L123 N144 Q145 I150 L151L123-G147 WeakPolarHBondContact CD1-O 3.37Å; N144-G147 PolarHBondContact O-N 3.22Å; N144-G147 VanDerWaalsContact O-N 3.15Å; N144-G147 PolarHBondContact OD1-N 3.32Å; Q145-G147 VanDerWaalsContact C-N 3.34Å; Q145-G147 PolarHBondContact O-N 3.24Å; G147-I150 PolarHBondContact O-N 2.85Å; G147-L151 PolarHBondContact O-N 2.89Å
148A98.8Very high98.1Very high3 Ų357.5 Ų57.53%0.02528%0.28CS..Hα-helixtrans-64.2-39.1176.100000112.7V137 N144 Q145 L151 A152 T162V137-A148 HydrophobicContact CB-CB 4.21Å; V137-A148 HydrophobicContact CG1-CB 3.8Å; N144-A148 PolarHBondContact O-N 3.43Å; N144-A148 VanDerWaalsContact O-N 3.13Å; Q145-A148 PolarHBondContact O-N 3.42Å; A148-L151 WeakPolarHBondContact O-CB 3.39Å; A148-L151 PolarHBondContact O-N 3.2Å; A148-A152 PolarHBondContact O-N 2.92Å; A148-T162 HydrophobicContact CB-CG2 3.83Å
149E98.8Very high98.1Very high78 Ų7860.3 Ų60.336%0.36430%0.303SS..Hα-helixtrans-62.4-45174.3-71.5166.1-171.500112.1Q145 R146 L151 A152 D153Q145-E149 WeakPolarHBondContact O-CG 3.36Å; Q145-E149 PolarHBondContact O-N 3.46Å; R146-E149 WeakPolarHBondContact CD-OE2 3.5Å; R146-E149 IonicContact NH1-OE2 3.07Å; R146-E149 PolarHBondContact NH1-OE2 3.19Å; R146-E149 VanDerWaalsContact NH1-OE2 3.07Å; R146-E149 PolarHBondContact O-N 3.18Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 2.91Å; E149-A152 WeakPolarHBondContact O-CB 3.21Å; E149-A152 PolarHBondContact O-N 2.96Å; E149-A152 VanDerWaalsContact O-N 3.11Å; E149-D153 PolarHBondContact O-N 2.82Å
150I98.8Very high98Very high21 Ų2159.8 Ų59.811%0.10830%0.301CS..Hα-helixtrans-62.4-36.3176.8-69.6170.5000110.9L86 M116 D118 A121 R146 G147 D153 A154L86-I150 HydrophobicContact CD1-CG2 4.28Å; M116-I150 HydrophobicContact CB-CG2 4.44Å; M116-I150 HydrophobicContact CE-CB 4.08Å; M116-I150 HydrophobicContact CE-CG2 3.94Å; M116-I150 HydrophobicContact CG-CD1 3.94Å; M116-I150 HydrophobicContact CG-CG2 4.32Å; D118-I150 HydrophobicContact CB-CD1 3.88Å; A121-I150 HydrophobicContact CB-CD1 3.52Å; R146-I150 HydrophobicContact CG-CD1 4.4Å; R146-I150 WeakPolarHBondContact O-CG1 3.49Å; R146-I150 PolarHBondContact O-N 2.93Å; R146-I150 VanDerWaalsContact O-N 3.09Å; G147-I150 PolarHBondContact O-N 2.85Å; I150-D153 PolarHBondContact O-N 2.68Å; I150-A154 WeakPolarHBondContact O-CB 3.37Å; I150-A154 PolarHBondContact O-N 3.01Å
151L98.8Very high98.1Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-63-43.4173.3-174.3151.1000111.8V79 L86 L123 V128 F135 V137 G147 A148 E149 D153 A154 F155 V160V79-L151 HydrophobicContact CG1-CD1 4.47Å; V79-L151 HydrophobicContact CG2-CD1 4.36Å; L86-L151 HydrophobicContact CD2-CB 3.92Å; L86-L151 HydrophobicContact CD2-CD1 4.3Å; L86-L151 HydrophobicContact CD2-CG 4.08Å; L123-L151 HydrophobicContact CD1-CB 4.04Å; L123-L151 HydrophobicContact CD1-CD1 3.77Å; V128-L151 HydrophobicContact CB-CD1 4.37Å; V128-L151 HydrophobicContact CG1-CD1 3.84Å; V128-L151 HydrophobicContact CG2-CD1 3.56Å; F135-L151 HydrophobicContact CB-CD2 4.2Å; F135-L151 HydrophobicContact CD1-CD2 4.25Å; F135-L151 HydrophobicContact CD2-CD2 4.26Å; F135-L151 HydrophobicContact CG-CD2 4Å; V137-L151 HydrophobicContact CG2-CD1 4.24Å; V137-L151 HydrophobicContact CG2-CD2 4.18Å; G147-L151 PolarHBondContact O-N 2.89Å; A148-L151 WeakPolarHBondContact O-CB 3.39Å; A148-L151 PolarHBondContact O-N 3.2Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 2.91Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 3.37Å; L151-A154 PolarHBondContact O-N 2.75Å; L151-F155 HydrophobicContact CD2-CD2 3.98Å; L151-F155 HydrophobicContact CG-CD2 3.89Å; L151-F155 HydrophobicContact CG-CE2 4.11Å; L151-F155 WeakPolarHBondContact O-CD2 3.36Å; L151-F155 PolarHBondContact O-N 3.05Å; L151-V160 HydrophobicContact CD2-CG1 4.12Å; L151-V160 HydrophobicContact CD2-CG2 3.92Å
152A98.5Very high98.2Very high33 Ų3351.7 Ų51.727%0.27327%0.269SS..Hα-helixtrans-62.1-39.217500000112.3A148 E149 A154 F155 K156 V160A148-A152 PolarHBondContact O-N 2.92Å; E149-A152 WeakPolarHBondContact O-CB 3.21Å; E149-A152 PolarHBondContact O-N 2.96Å; E149-A152 VanDerWaalsContact O-N 3.11Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 3.31Å; A152-F155 CarbonylContact O-C 3.45Å; A152-F155 PolarHBondContact O-N 3.27Å; A152-K156 PolarHBondContact O-N 2.74Å; A152-V160 HydrophobicContact CB-CB 3.92Å; A152-V160 HydrophobicContact CB-CG1 4.4Å; A152-V160 HydrophobicContact CB-CG2 3.68Å
153D98.1Very high98.2Very high98 Ų9850.2 Ų50.252%0.52426%0.263SS..Hα-helixtrans-66.5-32.7175-77.3-28.6000112.9E149 I150 L151 K156E149-D153 PolarHBondContact O-N 2.82Å; I150-D153 PolarHBondContact O-N 2.68Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 3.37Å; D153-K156 WeakPolarHBondContact O-CE 3.46Å; D153-K156 VanDerWaalsContact O-CG 3.25Å; D153-K156 WeakPolarHBondContact O-CG 3.09Å
154A98.1Very high98.1Very high21 Ų2153 Ų5317%0.17428%0.282CS..Hα-helixtrans-73.7-33.5176.800000112.6L86 V114 I150 L151 A152L86-A154 HydrophobicContact CB-CB 4.46Å; L86-A154 HydrophobicContact CD1-CB 4.28Å; L86-A154 HydrophobicContact CD2-CB 4.42Å; V114-A154 HydrophobicContact CG1-CB 4.13Å; I150-A154 WeakPolarHBondContact O-CB 3.37Å; I150-A154 PolarHBondContact O-N 3.01Å; L151-A154 PolarHBondContact O-N 2.75Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 3.31Å
155F97.6Very high98Very high11 Ų1151.4 Ų51.45%0.04827%0.274CS..  trans-122.657.5-174.5-55-63.5000112.6V79 C81 T84 L86 F135 L151 A152 D157 Y158V79-F155 HydrophobicContact CB-CE2 4.36Å; V79-F155 HydrophobicContact CG1-CE2 3.9Å; V79-F155 HydrophobicContact CG1-CZ 4.22Å; C81-F155 HydrophobicContact CB-CD1 3.72Å; C81-F155 HydrophobicContact CB-CE1 3.54Å; C81-F155 HydrophobicContact CB-CG 4.41Å; C81-F155 HydrophobicContact CB-CZ 4.1Å; T84-F155 HydrophobicContact CG2-CE1 3.9Å; L86-F155 HydrophobicContact CB-CE2 3.93Å; L86-F155 HydrophobicContact CB-CZ 3.89Å; L86-F155 HydrophobicContact CD2-CE2 4.31Å; F135-F155 HydrophobicContact CE2-CB 3.75Å; F135-F155 HydrophobicContact CE2-CD2 4.19Å; F135-F155 HydrophobicContact CE2-CG 4.08Å; F135-F155 HydrophobicContact CZ-CB 4.22Å; F135-F155 AromaticContact CZ-CD2 3.96Å; F135-F155 HydrophobicContact CZ-CD2 3.96Å; F135-F155 HydrophobicContact CZ-CG 4.04Å; L151-F155 HydrophobicContact CD2-CD2 3.98Å; L151-F155 HydrophobicContact CG-CD2 3.89Å; L151-F155 HydrophobicContact CG-CE2 4.11Å; L151-F155 WeakPolarHBondContact O-CD2 3.36Å; L151-F155 PolarHBondContact O-N 3.05Å; A152-F155 CarbonylContact O-C 3.45Å; A152-F155 PolarHBondContact O-N 3.27Å; F155-D157 PolarHBondContact O-N 3.26Å; F155-Y158 HydrophobicContact CB-CD2 4.44Å; F155-Y158 PolarHBondContact O-N 3.03Å
156K96.1Very high97.5Very high166 Ų16654.1 Ų54.172%0.72229%0.291SS*.THydrogen-bonded Turntrans-58.7-20.7-171.4-57.4-174.2-178.8-177.30115.7A152 D153 Y158A152-K156 PolarHBondContact O-N 2.74Å; D153-K156 WeakPolarHBondContact O-CE 3.46Å; D153-K156 VanDerWaalsContact O-CG 3.25Å; D153-K156 WeakPolarHBondContact O-CG 3.09Å; K156-Y158 PolarHBondContact O-N 2.84Å
157D95.6Very high97Very high158 Ų15855.9 Ų55.985%0.84530%0.303SS*.THydrogen-bonded Turntrans-78.6-8.6-179.8-62.9-38.4000113.1F155F155-D157 PolarHBondContact O-N 3.26Å
158Y97Very high96.4Very high64 Ų6458.6 Ų58.625%0.25133%0.331SS..SBendtrans-119.9139.7-178.1-64.7-76.7000111.3C81 F130 R133 F135 F155 K156C81-Y158 WeakPolarHBondContact SG-CE2 3.46Å; F130-Y158 AromaticContact CE2-CD1 3.77Å; F130-Y158 HydrophobicContact CE2-CD1 3.77Å; F130-Y158 HydrophobicContact CE2-CD2 4.35Å; F130-Y158 AromaticContact CE2-CE1 3.72Å; F130-Y158 HydrophobicContact CE2-CE1 3.72Å; F130-Y158 HydrophobicContact CE2-CE2 4.3Å; F130-Y158 HydrophobicContact CE2-CG 4.08Å; F130-Y158 AromaticContact CE2-CZ 4Å; F130-Y158 HydrophobicContact CZ-CD1 4.31Å; F130-Y158 AromaticContact CZ-CE1 3.78Å; F130-Y158 HydrophobicContact CZ-CE1 3.78Å; F130-Y158 HydrophobicContact CZ-CE2 4.29Å; F130-Y158 AromaticContact CZ-CZ 3.76Å; R133-Y158 WeakPolarHBondContact O-CD1 3.46Å; F135-Y158 HydrophobicContact CD2-CG 4.31Å; F135-Y158 AromaticContact CE2-CD2 3.81Å; F135-Y158 HydrophobicContact CE2-CD2 3.81Å; F135-Y158 AromaticContact CE2-CG 3.8Å; F135-Y158 HydrophobicContact CE2-CG 3.8Å; F155-Y158 HydrophobicContact CB-CD2 4.44Å; F155-Y158 PolarHBondContact O-N 3.03Å; K156-Y158 PolarHBondContact O-N 2.84Å
159A97.8Very high96Very high59 Ų5960.2 Ų60.249%0.48834%0.339SS..EExtended strand (participates in β ladder)trans-64.5144.1169.100000110.1E134 F135E134-A159 WeakPolarHBondContact CA-O 3.27Å; E134-A159 HydrophobicContact CB-CB 4.06Å; E134-A159 WeakPolarHBondContact CB-O 3.32Å; F135-A159 PolarHBondContact N-O 3.47Å
160V98.6Very high96Very high39 Ų3956.8 Ų56.824%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-127.3121.6176.4-175.60000108.9F135 V137 L151 A152F135-V160 HydrophobicContact CB-CG1 4.32Å; F135-V160 HydrophobicContact CB-CG2 4.13Å; F135-V160 HydrophobicContact CD2-CG2 4.17Å; F135-V160 WeakPolarHBondContact O-CA 3.25Å; V137-V160 HydrophobicContact CG2-CG1 3.71Å; L151-V160 HydrophobicContact CD2-CG1 4.12Å; L151-V160 HydrophobicContact CD2-CG2 3.92Å; A152-V160 HydrophobicContact CB-CB 3.92Å; A152-V160 HydrophobicContact CB-CG1 4.4Å; A152-V160 HydrophobicContact CB-CG2 3.68Å
161S98.6Very high96Very high17 Ų1755.8 Ų55.812%0.11932%0.318CS..EExtended strand (participates in β ladder)trans-121.4138.5177-72.20000110.6F135 F136 V137F135-S161 PolarHBondContact O-N 3.46Å; F136-S161 CarbonylContact C-O 3.5Å; F136-S161 VanDerWaalsContact CA-O 3.3Å; F136-S161 WeakPolarHBondContact CA-O 3.3Å; V137-S161 PolarHBondContact N-O 3.42Å
162T98.5Very high96Very high45 Ų4556.8 Ų56.828%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-94.2142.5179.753.20000112.3V137 L139 A148V137-T162 CarbonylContact O-C 3.6Å; V137-T162 WeakPolarHBondContact O-CA 3.44Å; L139-T162 HydrophobicContact CD1-CG2 4.27Å; L139-T162 HydrophobicContact CD2-CG2 3.98Å; L139-T162 HydrophobicContact CG-CG2 4.11Å; A148-T162 HydrophobicContact CB-CG2 3.83Å
163V98.1Very high95.9Very high1 Ų156.7 Ų56.71%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-127.2126.5179.7-173.30000109.3F136 V137 G138 L139 V165 L171 A194 I197 M198F136-V163 HydrophobicContact CB-CG2 4.19Å; F136-V163 HydrophobicContact CD1-CG2 4.12Å; V137-V163 PolarHBondContact O-N 2.89Å; G138-V163 CarbonylContact C-O 3.59Å; G138-V163 VanDerWaalsContact CA-O 3.31Å; G138-V163 WeakPolarHBondContact CA-O 3.48Å; L139-V163 PolarHBondContact N-O 2.92Å; V163-V165 PolarHBondContact O-N 2.98Å; V163-L171 HydrophobicContact CB-CD1 4.41Å; V163-L171 HydrophobicContact CG1-CD1 4.34Å; V163-A194 HydrophobicContact CG1-CB 3.97Å; V163-I197 HydrophobicContact CG1-CB 4.38Å; V163-I197 HydrophobicContact CG1-CG2 4.27Å; V163-M198 HydrophobicContact CG1-CG 4.43Å; V163-M198 HydrophobicContact CG2-CG 3.45Å; V163-M198 VanDerWaalsContact CG2-CG 3.45Å; V163-M198 HydrophobicContact CG2-SD 4.34Å
164P97.9Very high95.9Very high62 Ų6252.3 Ų52.340%0.40330%0.296SS..EExtended strand (participates in β ladder)trans-63.2128.5175.7-2233.3000112.1L166P164-L166 HydrophobicContact CB-CD2 4.37Å
165V96.8Very high95.9Very high17 Ų1751.3 Ų51.310%0.10329%0.288CS..  trans-104.295.5173-177.90000108.1L139 V163 L171 F174L139-V165 PolarHBondContact O-N 3.44Å; V163-V165 PolarHBondContact O-N 2.98Å; V165-L171 HydrophobicContact CG2-CB 4.02Å; V165-F174 HydrophobicContact CG1-CE1 4.4Å
166L88.6Confident96Very high150 Ų15051 Ų5179%0.78529%0.286SS*.  trans-87.2-35.1-176.4-58.5179.7000112.7P164P164-L166 HydrophobicContact CB-CD2 4.37Å
167E86.9Confident96.1Very high130 Ų13043.8 Ų43.861%0.60726%0.255SS*.SBendtrans-132.7148.2178.5-65.8-176.2-152.700109.1P190E167-P190 HydrophobicContact CB-CB 4.03Å; E167-P190 HydrophobicContact CB-CG 3.88Å; E167-P190 VanDerWaalsContact CD-CG 3.46Å; E167-P190 HydrophobicContact CG-CG 4.04Å; E167-P190 WeakPolarHBondContact OE2-CG 3.4Å
168G85.7Confident96.2Very high58 Ų5836.2 Ų36.260%0.59822%0.215SC*.SBendtrans91.3169.1-166.200000112.7
169L92.2Very high96.2Very high36 Ų3633.2 Ų33.219%0.18820%0.204CC..SBendtrans-81.5-43177-177.763.6000110.9R142 S173 D266R142-L169 HydrophobicContact CG-CD1 4.26Å; L169-S173 PolarHBondContact N-OG 3.12Å; L169-D266 HydrophobicContact CD2-CB 3.73Å
170H97.9Very high96.1Very high6 Ų632.8 Ų32.83%0.02820%0.196CC..SBendtrans-139.6166.6-177.2-54.2125.8000112.1D76 D124 G126 D127 K172 S173D76-H170 IonicContact OD1-CE1 3.85Å; D76-H170 IonicContact OD1-NE2 2.81Å; D76-H170 IonicContact OD2-CE1 2.89Å; D124-H170 VanDerWaalsContact CB-NE2 3.3Å; D124-H170 WeakPolarHBondContact CB-NE2 3.35Å; D124-H170 IonicContact OD2-CD2 3.75Å; D124-H170 IonicContact OD2-CE1 3.33Å; D124-H170 IonicContact OD2-NE2 3.09Å; D124-H170 PolarHBondContact OD2-NE2 2.93Å; G126-H170 VanDerWaalsContact C-CB 3.48Å; G126-H170 WeakPolarHBondContact O-CB 3.44Å; D127-H170 WeakPolarHBondContact OD1-CA 3.24Å; D127-H170 IonicContact OD2-CD2 3.91Å; D127-H170 PolarHBondContact OD2-CD2 2.91Å; H170-K172 VanDerWaalsContact C-N 3.28Å; H170-K172 PolarHBondContact O-N 3.29Å; H170-S173 PolarHBondContact N-OG 2.87Å; H170-S173 WeakPolarHBondContact O-CB 3.19Å; H170-S173 PolarHBondContact O-N 3Å; H170-S173 PolarHBondContact O-OG 3.36Å; H170-S173 VanDerWaalsContact O-OG 3.09Å
171L98.3Very high96Very high0 Ų031.2 Ų31.20%019%0.187CC..G310 helixtrans-54.5-41.8172.8-179.760.7000112.6D127 L129 F136 V163 V165 S173 F174 C175 M198D127-L171 PolarHBondContact OD1-N 3.43Å; L129-L171 HydrophobicContact CB-CD2 4.13Å; F136-L171 HydrophobicContact CB-CD2 3.99Å; V163-L171 HydrophobicContact CB-CD1 4.41Å; V163-L171 HydrophobicContact CG1-CD1 4.34Å; V165-L171 HydrophobicContact CG2-CB 4.02Å; L171-S173 PolarHBondContact O-N 3.25Å; L171-F174 HydrophobicContact CD1-CE2 3.83Å; L171-F174 HydrophobicContact CD1-CZ 3.85Å; L171-F174 WeakPolarHBondContact O-CE2 3.34Å; L171-C175 PolarHBondContact O-SG 2.92Å; L171-M198 HydrophobicContact CD1-SD 4.48Å; L171-M198 HydrophobicContact CD2-SD 4.47Å
172K98.6Very high96Very high22 Ų2231.7 Ų31.710%0.09619%0.189CC..G310 helixtrans-79.52.4179.1-66.4-174.8-64.6-158.30114.3E75 G125 G126 V128 H170 F174 C175 N218E75-K172 WeakPolarHBondContact OE1-CE 3.48Å; E75-K172 IonicContact OE1-NZ 2.68Å; E75-K172 PolarHBondContact OE1-NZ 3.24Å; E75-K172 IonicContact OE2-NZ 3.48Å; G125-K172 WeakPolarHBondContact O-CE 3.33Å; G125-K172 PolarHBondContact O-NZ 2.98Å; G126-K172 VanDerWaalsContact O-CB 3.25Å; G126-K172 WeakPolarHBondContact O-CB 3.41Å; G126-K172 WeakPolarHBondContact O-CE 3.4Å; G126-K172 WeakPolarHBondContact O-CG 3.18Å; G126-K172 PolarHBondContact O-N 3.2Å; G126-K172 VanDerWaalsContact O-N 3.12Å; V128-K172 WeakPolarHBondContact O-CD 3.37Å; V128-K172 VanDerWaalsContact O-CE 3.26Å; V128-K172 WeakPolarHBondContact O-CE 3.28Å; V128-K172 PolarHBondContact O-NZ 3.42Å; H170-K172 VanDerWaalsContact C-N 3.28Å; H170-K172 PolarHBondContact O-N 3.29Å; K172-F174 PolarHBondContact O-N 3.32Å; K172-C175 VanDerWaalsContact CA-O 3.27Å; K172-C175 WeakPolarHBondContact CA-O 3.49Å; K172-C175 WeakPolarHBondContact CB-O 3.26Å; K172-N218 PolarHBondContact O-ND2 3.03Å
173S97.3Very high96Very high30 Ų3029.6 Ų29.621%0.2118%0.176CC..G310 helixtrans-63.6-21.3170.3-60.40000112.6L169 H170 L171L169-S173 PolarHBondContact N-OG 3.12Å; H170-S173 PolarHBondContact N-OG 2.87Å; H170-S173 WeakPolarHBondContact O-CB 3.19Å; H170-S173 PolarHBondContact O-N 3Å; H170-S173 PolarHBondContact O-OG 3.36Å; H170-S173 VanDerWaalsContact O-OG 3.09Å; L171-S173 PolarHBondContact O-N 3.25Å
174F98.1Very high96Very high7 Ų729.6 Ų29.63%0.03118%0.175CC..SBendtrans-133.69-178.651.9-103.7000113.7V165 L171 K172 I185 G186 A191 A194 D214 A217V165-F174 HydrophobicContact CG1-CE1 4.4Å; L171-F174 HydrophobicContact CD1-CE2 3.83Å; L171-F174 HydrophobicContact CD1-CZ 3.85Å; L171-F174 WeakPolarHBondContact O-CE2 3.34Å; K172-F174 PolarHBondContact O-N 3.32Å; F174-I185 HydrophobicContact CD2-CD1 4.04Å; F174-I185 WeakPolarHBondContact O-CD1 3.36Å; F174-G186 PolarHBondContact O-N 3.18Å; F174-A191 HydrophobicContact CB-CB 3.87Å; F174-A191 HydrophobicContact CD2-CB 3.77Å; F174-A191 HydrophobicContact CG-CB 3.92Å; F174-A194 HydrophobicContact CE2-CB 3.59Å; F174-A194 HydrophobicContact CZ-CB 3.86Å; F174-D214 WeakPolarHBondContact CA-O 2.96Å; F174-D214 HydrophobicContact CB-CB 3.93Å; F174-A217 VanDerWaalsContact O-CB 3.24Å; F174-A217 WeakPolarHBondContact O-CB 3.29Å
175C98.6Very high96Very high0 Ų026.6 Ų26.60%016%0.156CC..EExtended strand (participates in β ladder)trans-153.8159.8177.476.80000113.5L171 K172 I184 I185 A217L171-C175 PolarHBondContact O-SG 2.92Å; K172-C175 VanDerWaalsContact CA-O 3.27Å; K172-C175 WeakPolarHBondContact CA-O 3.49Å; K172-C175 WeakPolarHBondContact CB-O 3.26Å; C175-I184 WeakPolarHBondContact CA-O 3.35Å; C175-I184 WeakPolarHBondContact CB-O 3.08Å; C175-I185 HydrophobicContact CB-CD1 3.57Å; C175-A217 CarbonylContact C-O 3.58Å
176S98.8Very high96.1Very high3 Ų325.8 Ų25.82%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-162.5174.7169.363.70000110.4I184 A217 C219S176-I184 PolarHBondContact N-O 2.61Å; S176-I184 PolarHBondContact O-N 2.97Å; S176-A217 WeakPolarHBondContact CB-O 3.45Å; S176-A217 PolarHBondContact N-O 3.09Å; S176-A217 PolarHBondContact OG-O 3.48Å; S176-C219 WeakPolarHBondContact CB-O 3.33Å; S176-C219 PolarHBondContact OG-N 3.31Å; S176-C219 PolarHBondContact OG-O 3.27Å
177M98.6Very high96.6Very high15 Ų1521.6 Ų21.67%0.07413%0.134CC..EExtended strand (participates in β ladder)trans-81.9125.8170.4-63.7-59.6-62.500109.7F8 L129 F130 T131 G179 I183 Y221F8-M177 HydrophobicContact CE1-CB 4.17Å; F8-M177 HydrophobicContact CE1-CE 4.17Å; F8-M177 HydrophobicContact CE1-CG 4.48Å; F8-M177 HydrophobicContact CZ-CB 3.91Å; F8-M177 HydrophobicContact CZ-CE 4.17Å; F8-M177 HydrophobicContact CZ-CG 3.87Å; L129-M177 HydrophobicContact CD1-CG 3.88Å; L129-M177 HydrophobicContact CD1-SD 4.24Å; F130-M177 WeakPolarHBondContact O-CG 3.37Å; T131-M177 HydrophobicContact CG2-SD 4Å; M177-G179 WeakPolarHBondContact CE-O 3.39Å; M177-I183 HydrophobicContact SD-CG1 3.89Å; M177-Y221 WeakPolarHBondContact O-CB 3.36Å
178G97.8Very high97.1Very high0 Ų017 Ų170%012%0.116CC..EExtended strand (participates in β ladder)trans-95.1-11.3173.800000114.1L182 Y221 H252G178-L182 PolarHBondContact N-O 3.45Å; G178-Y221 VanDerWaalsContact O-CD2 3.27Å; G178-Y221 WeakPolarHBondContact O-CD2 3.48Å; G178-H252 PolarHBondContact O-NE2 3.42Å
179G97.1Very high97.7Very high1 Ų120.5 Ų20.51%0.0112%0.117CC..EExtended strand (participates in β ladder)trans169.4179.2-177.400000111.3M177 G181 L182M177-G179 WeakPolarHBondContact CE-O 3.39Å; G179-G181 PolarHBondContact O-N 3.1Å; G179-L182 PolarHBondContact O-N 2.98Å
180P95.9Very high97.9Very high50 Ų5020.1 Ų20.133%0.32512%0.117SC..THydrogen-bonded Turntrans-62.6113.8179.3-19.333.4000110.2M5 F8 L182 Y221M5-P180 HydrophobicContact CE-CB 4.3Å; M5-P180 HydrophobicContact SD-CB 4Å; F8-P180 HydrophobicContact CD1-CB 4.29Å; F8-P180 HydrophobicContact CD1-CG 4.23Å; P180-L182 VanDerWaalsContact C-N 3.27Å; P180-L182 PolarHBondContact O-N 3.3Å; P180-Y221 WeakPolarHBondContact CD-OH 3.36Å; P180-Y221 HydrophobicContact CG-CE1 4.39Å
181G95.8Very high97.9Very high5 Ų519.8 Ų19.85%0.05212%0.115CC..THydrogen-bonded Turntrans75.76.3-177.600000115.5G179 Y206 D207G179-G181 PolarHBondContact O-N 3.1Å; G181-Y206 CarbonylContact O-C 3.56Å; G181-Y206 WeakPolarHBondContact O-CA 3.43Å; G181-D207 PolarHBondContact O-N 3.08Å
182L97.8Very high97.9Very high28 Ų2822.3 Ų22.315%0.14713%0.127CC..EExtended strand (participates in β ladder)trans-111.5116179.7-179.765.9000111G178 G179 P180 D207 L209 L249G178-L182 PolarHBondContact N-O 3.45Å; G179-L182 PolarHBondContact O-N 2.98Å; P180-L182 VanDerWaalsContact C-N 3.27Å; P180-L182 PolarHBondContact O-N 3.3Å; L182-D207 HydrophobicContact CD1-CB 3.9Å; L182-L209 HydrophobicContact CD1-CB 4.12Å; L182-L249 HydrophobicContact CD2-CD2 4.09Å
183I98.6Very high97.8Very high1 Ų126.6 Ų26.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-96.2124.2172.9-61.3174.6000109.1M177 L195 Y206 D207 K208 L209M177-I183 HydrophobicContact SD-CG1 3.89Å; I183-L195 HydrophobicContact CD1-CD1 4.41Å; I183-L195 HydrophobicContact CG2-CD1 4.31Å; I183-Y206 HydrophobicContact CD1-CD1 4.26Å; I183-Y206 HydrophobicContact CD1-CD2 4.18Å; I183-Y206 HydrophobicContact CD1-CG 3.83Å; I183-Y206 HydrophobicContact CG1-CD1 4.4Å; I183-Y206 HydrophobicContact CG1-CG 4.34Å; I183-D207 PolarHBondContact N-O 3.09Å; I183-K208 CarbonylContact O-C 3.52Å; I183-K208 VanDerWaalsContact O-CA 3.27Å; I183-K208 WeakPolarHBondContact O-CA 3.4Å; I183-L209 PolarHBondContact O-N 3.29Å
184I98.8Very high97.9Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-85.1132.6167-57.4169.3000107.3C175 S176 L209 V211 A217 C219 L231 F246C175-I184 WeakPolarHBondContact CA-O 3.35Å; C175-I184 WeakPolarHBondContact CB-O 3.08Å; S176-I184 PolarHBondContact N-O 2.61Å; S176-I184 PolarHBondContact O-N 2.97Å; I184-L209 WeakPolarHBondContact CA-O 3.47Å; I184-L209 HydrophobicContact CG1-CB 4.29Å; I184-L209 HydrophobicContact CG1-CD2 4.33Å; I184-V211 HydrophobicContact CG2-CG1 4.2Å; I184-V211 HydrophobicContact CG2-CG2 4.35Å; I184-A217 HydrophobicContact CG2-CB 3.97Å; I184-C219 HydrophobicContact CD1-CB 3.85Å; I184-L231 HydrophobicContact CD1-CD1 3.98Å; I184-L231 HydrophobicContact CD1-CD2 3.96Å; I184-F246 HydrophobicContact CD1-CE1 4.02Å; I184-F246 HydrophobicContact CG2-CE1 3.93Å; I184-F246 HydrophobicContact CG2-CZ 4.36Å
185I98.8Very high97.9Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-142.7139.4-171.7-170.768.2000111.1F174 C175 A191 L195 K208 L209 T210 V211F174-I185 HydrophobicContact CD2-CD1 4.04Å; F174-I185 WeakPolarHBondContact O-CD1 3.36Å; C175-I185 HydrophobicContact CB-CD1 3.57Å; I185-A191 HydrophobicContact CD1-CB 4.13Å; I185-A191 HydrophobicContact CG1-CB 4.33Å; I185-L195 HydrophobicContact CD1-CB 4.14Å; I185-L195 HydrophobicContact CG1-CB 4.07Å; I185-L195 HydrophobicContact CG1-CD2 4.2Å; I185-L195 HydrophobicContact CG2-CD2 4.07Å; I185-K208 HydrophobicContact CG2-CB 4.39Å; I185-L209 PolarHBondContact N-O 2.81Å; I185-T210 HydrophobicContact CG2-CG2 4.4Å; I185-T210 WeakPolarHBondContact CG2-OG1 3.4Å; I185-T210 CarbonylContact O-C 3.47Å; I185-T210 VanDerWaalsContact O-CA 3.28Å; I185-T210 WeakPolarHBondContact O-CA 3.38Å; I185-V211 PolarHBondContact O-N 3.19Å
186G98.6Very high97.8Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-64.3160.9171.600000113.7F174 Q192 V211 D214F174-G186 PolarHBondContact O-N 3.18Å; G186-Q192 PolarHBondContact O-NE2 3.41Å; G186-V211 CarbonylContact C-O 3.6Å; G186-D214 WeakPolarHBondContact CA-OD1 3.31Å
187S98.3Very high97.8Very high61 Ų6133.8 Ų33.843%0.42718%0.176SC..SBendtrans-91.4-8.6-177.575.10000113.9V211 P212 D214S187-V211 WeakPolarHBondContact CB-O 3.44Å; S187-V211 PolarHBondContact N-O 3.01Å; S187-P212 WeakPolarHBondContact OG-CA 3.35Å; S187-P212 PolarHBondContact OG-O 3.01Å; S187-D214 PolarHBondContact N-OD1 3.3Å; S187-D214 VanDerWaalsContact N-OD1 3.1Å
188S98.1Very high97.7Very high33 Ų3333.1 Ų33.123%0.23117%0.172CC..SBendtrans-60.8157.6-179.979.70000112.6P190 A191 Q192 D214S188-P190 WeakPolarHBondContact OG-CD 3.48Å; S188-A191 PolarHBondContact O-N 3.18Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.97Å; S188-A191 VanDerWaalsContact OG-N 3.16Å; S188-Q192 WeakPolarHBondContact O-CG 3.41Å; S188-Q192 PolarHBondContact O-N 2.94Å; S188-D214 WeakPolarHBondContact CB-OD1 3.41Å; S188-D214 WeakPolarHBondContact CB-OD2 3.43Å; S188-D214 PolarHBondContact N-OD1 3.27Å; S188-D214 VanDerWaalsContact N-OD1 3.08Å; S188-D214 PolarHBondContact OG-OD1 3.12Å; S188-D214 PolarHBondContact OG-OD2 3.42Å
189E97.6Very high97.6Very high132 Ų13236.9 Ų36.962%0.61719%0.19SC*.Hα-helixtrans-59.4-45.4175.8-179.8-179.217400112.7A191 Q192 K193E189-A191 PolarHBondContact O-N 3.44Å; E189-Q192 PolarHBondContact O-N 3.3Å; E189-K193 HydrophobicContact CG-CD 4.14Å; E189-K193 HydrophobicContact CG-CG 4.48Å; E189-K193 WeakPolarHBondContact O-CB 3.48Å; E189-K193 WeakPolarHBondContact O-CG 3.28Å; E189-K193 PolarHBondContact O-N 3.37Å; E189-K193 WeakPolarHBondContact OE1-CE 3.2Å; E189-K193 IonicContact OE1-NZ 2.61Å; E189-K193 PolarHBondContact OE1-NZ 3.29Å
190P96.8Very high97.6Very high28 Ų2843.2 Ų43.218%0.18222%0.219CC..Hα-helixtrans-56.5-46.6172.9-25.432.8000113.5E167 S188 K193 A194E167-P190 HydrophobicContact CB-CB 4.03Å; E167-P190 HydrophobicContact CB-CG 3.88Å; E167-P190 VanDerWaalsContact CD-CG 3.46Å; E167-P190 HydrophobicContact CG-CG 4.04Å; E167-P190 WeakPolarHBondContact OE2-CG 3.4Å; S188-P190 WeakPolarHBondContact OG-CD 3.48Å; P190-K193 PolarHBondContact O-N 3.1Å; P190-A194 WeakPolarHBondContact O-CB 3.4Å; P190-A194 PolarHBondContact O-N 2.97Å
191A97.9Very high97.6Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-62.6-46.6-179.600000111.6F174 I185 S188 E189 K193 A194 L195F174-A191 HydrophobicContact CB-CB 3.87Å; F174-A191 HydrophobicContact CD2-CB 3.77Å; F174-A191 HydrophobicContact CG-CB 3.92Å; I185-A191 HydrophobicContact CD1-CB 4.13Å; I185-A191 HydrophobicContact CG1-CB 4.33Å; S188-A191 PolarHBondContact O-N 3.18Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.97Å; S188-A191 VanDerWaalsContact OG-N 3.16Å; E189-A191 PolarHBondContact O-N 3.44Å; A191-K193 VanDerWaalsContact C-N 3.34Å; A191-K193 PolarHBondContact O-N 3.13Å; A191-A194 PolarHBondContact O-N 3.19Å; A191-L195 PolarHBondContact O-N 2.91Å
192Q98.1Very high97.6Very high52 Ų5246.4 Ų46.424%0.24323%0.232CC..Hα-helixtrans-67.1-33.5178.4-67.9-59.5-61.100112.6G186 S188 E189 K196G186-Q192 PolarHBondContact O-NE2 3.41Å; S188-Q192 WeakPolarHBondContact O-CG 3.41Å; S188-Q192 PolarHBondContact O-N 2.94Å; E189-Q192 PolarHBondContact O-N 3.3Å; Q192-K196 PolarHBondContact O-N 2.89Å
193K97.6Very high97.4Very high113 Ų11353.3 Ų53.349%0.49127%0.268SS..Hα-helixtrans-65.2-47.5172.3-78.2175.9-178.1168.20111.6E189 P190 A191 L195 K196 I197E189-K193 HydrophobicContact CG-CD 4.14Å; E189-K193 HydrophobicContact CG-CG 4.48Å; E189-K193 WeakPolarHBondContact O-CB 3.48Å; E189-K193 WeakPolarHBondContact O-CG 3.28Å; E189-K193 PolarHBondContact O-N 3.37Å; E189-K193 WeakPolarHBondContact OE1-CE 3.2Å; E189-K193 IonicContact OE1-NZ 2.61Å; E189-K193 PolarHBondContact OE1-NZ 3.29Å; P190-K193 PolarHBondContact O-N 3.1Å; A191-K193 VanDerWaalsContact C-N 3.34Å; A191-K193 PolarHBondContact O-N 3.13Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.2Å; K193-K196 PolarHBondContact O-N 3.01Å; K193-I197 WeakPolarHBondContact O-CG1 3.19Å; K193-I197 PolarHBondContact O-N 3.29Å; K193-I197 VanDerWaalsContact O-N 3.08Å
194A97.8Very high97.2Very high4 Ų456.4 Ų56.43%0.03328%0.283CS..Hα-helixtrans-58.9-44.7177.100000111.4V163 F174 P190 A191 K196 I197 M198V163-A194 HydrophobicContact CG1-CB 3.97Å; F174-A194 HydrophobicContact CE2-CB 3.59Å; F174-A194 HydrophobicContact CZ-CB 3.86Å; P190-A194 WeakPolarHBondContact O-CB 3.4Å; P190-A194 PolarHBondContact O-N 2.97Å; A191-A194 PolarHBondContact O-N 3.19Å; A194-K196 PolarHBondContact O-N 3.35Å; A194-I197 PolarHBondContact O-N 3.49Å; A194-M198 WeakPolarHBondContact O-CG 3.48Å; A194-M198 PolarHBondContact O-N 2.72Å
195L97.9Very high97Very high2 Ų266.9 Ų66.91%0.0132%0.322CS..Hα-helixtrans-57.9-45.9174.5178.869.5000112.4I183 I185 A191 K193 I197 M198 Q199 K208I183-L195 HydrophobicContact CD1-CD1 4.41Å; I183-L195 HydrophobicContact CG2-CD1 4.31Å; I185-L195 HydrophobicContact CD1-CB 4.14Å; I185-L195 HydrophobicContact CG1-CB 4.07Å; I185-L195 HydrophobicContact CG1-CD2 4.2Å; I185-L195 HydrophobicContact CG2-CD2 4.07Å; A191-L195 PolarHBondContact O-N 2.91Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.2Å; L195-I197 VanDerWaalsContact C-N 3.28Å; L195-I197 PolarHBondContact O-N 2.92Å; L195-M198 HydrophobicContact CB-CE 4.45Å; L195-M198 HydrophobicContact CD1-CE 4.18Å; L195-M198 PolarHBondContact O-N 2.82Å; L195-Q199 HydrophobicContact CD1-CG 4.27Å; L195-Q199 HydrophobicContact CG-CG 4.38Å; L195-Q199 WeakPolarHBondContact O-CB 3.25Å; L195-Q199 WeakPolarHBondContact O-CG 3.39Å; L195-Q199 PolarHBondContact O-N 3.14Å; L195-K208 HydrophobicContact CD2-CB 4.4Å; L195-K208 HydrophobicContact CD2-CD 3.55Å
196K97.8Very high96.9Very high129 Ų12967.3 Ų67.356%0.56132%0.324SS*.Hα-helixtrans-60.9-39.8179.7-173.4177.5179.4-178.40111.4Q192 K193 A194 Q199 Q200Q192-K196 PolarHBondContact O-N 2.89Å; K193-K196 PolarHBondContact O-N 3.01Å; A194-K196 PolarHBondContact O-N 3.35Å; K196-Q199 PolarHBondContact O-N 2.98Å; K196-Q200 WeakPolarHBondContact O-CB 3.48Å; K196-Q200 VanDerWaalsContact O-CG 3.23Å; K196-Q200 WeakPolarHBondContact O-CG 3.27Å; K196-Q200 PolarHBondContact O-N 3.25Å
197I97.6Very high96.8Very high55 Ų5572.3 Ų72.328%0.28235%0.351SS..Hα-helixtrans-64.1-49175.2-65.6168.1000110.1V163 K193 A194 L195 Q199 Q200 M201V163-I197 HydrophobicContact CG1-CB 4.38Å; V163-I197 HydrophobicContact CG1-CG2 4.27Å; K193-I197 WeakPolarHBondContact O-CG1 3.19Å; K193-I197 PolarHBondContact O-N 3.29Å; K193-I197 VanDerWaalsContact O-N 3.08Å; A194-I197 PolarHBondContact O-N 3.49Å; L195-I197 VanDerWaalsContact C-N 3.28Å; L195-I197 PolarHBondContact O-N 2.92Å; I197-Q199 VanDerWaalsContact C-N 3.28Å; I197-Q199 PolarHBondContact O-N 3.14Å; I197-Q200 PolarHBondContact O-N 3.48Å; I197-M201 HydrophobicContact CG2-CG 4.26Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.36Å; I197-M201 PolarHBondContact O-N 3.14Å
198M97.8Very high96.8Very high1 Ų174.3 Ų74.31%0.00535%0.352CS..Hα-helixtrans-54.2-45.3176.3-71.7-169.8-69.700112L129 F136 V163 L171 A194 L195 Q200 M201 S202L129-M198 HydrophobicContact CD2-CE 4.5Å; L129-M198 HydrophobicContact CD2-SD 3.97Å; F136-M198 HydrophobicContact CB-CG 4.18Å; F136-M198 HydrophobicContact CB-SD 3.78Å; F136-M198 HydrophobicContact CD1-CB 3.96Å; F136-M198 HydrophobicContact CD1-CG 3.62Å; F136-M198 HydrophobicContact CD1-SD 4.22Å; F136-M198 HydrophobicContact CD2-CB 4.36Å; F136-M198 HydrophobicContact CD2-CG 4.1Å; F136-M198 HydrophobicContact CD2-SD 3.73Å; F136-M198 HydrophobicContact CE1-CB 3.73Å; F136-M198 HydrophobicContact CE1-CG 3.94Å; F136-M198 WeakPolarHBondContact CE1-O 3.29Å; F136-M198 HydrophobicContact CE2-CB 4.13Å; F136-M198 HydrophobicContact CE2-CG 4.38Å; F136-M198 HydrophobicContact CE2-SD 4.34Å; F136-M198 HydrophobicContact CG-CB 4.26Å; F136-M198 HydrophobicContact CG-CG 3.69Å; F136-M198 HydrophobicContact CG-SD 3.64Å; F136-M198 HydrophobicContact CZ-CB 3.8Å; F136-M198 HydrophobicContact CZ-CG 4.3Å; F136-M198 WeakPolarHBondContact CZ-O 3.5Å; V163-M198 HydrophobicContact CG1-CG 4.43Å; V163-M198 HydrophobicContact CG2-CG 3.45Å; V163-M198 VanDerWaalsContact CG2-CG 3.45Å; V163-M198 HydrophobicContact CG2-SD 4.34Å; L171-M198 HydrophobicContact CD1-SD 4.48Å; L171-M198 HydrophobicContact CD2-SD 4.47Å; A194-M198 WeakPolarHBondContact O-CG 3.48Å; A194-M198 PolarHBondContact O-N 2.72Å; L195-M198 HydrophobicContact CB-CE 4.45Å; L195-M198 HydrophobicContact CD1-CE 4.18Å; L195-M198 PolarHBondContact O-N 2.82Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-Q200 PolarHBondContact O-N 2.99Å; M198-M201 PolarHBondContact O-N 3.27Å; M198-S202 PolarHBondContact O-N 3.47Å
199Q96.1Very high96.8Very high79 Ų7974 Ų7437%0.36935%0.347SS..Hα-helixtrans-68.3-28.9178.7-71.1-179.2-30.300113.6L195 K196 I197L195-Q199 HydrophobicContact CD1-CG 4.27Å; L195-Q199 HydrophobicContact CG-CG 4.38Å; L195-Q199 WeakPolarHBondContact O-CB 3.25Å; L195-Q199 WeakPolarHBondContact O-CG 3.39Å; L195-Q199 PolarHBondContact O-N 3.14Å; K196-Q199 PolarHBondContact O-N 2.98Å; I197-Q199 VanDerWaalsContact C-N 3.28Å; I197-Q199 PolarHBondContact O-N 3.14Å
200Q96.6Very high96.8Very high134 Ų13470.2 Ų70.263%0.62633%0.334SS*.Hα-helixtrans-77.7-28.8176.8-77.2175-24.300112.8K196 I197 M198K196-Q200 WeakPolarHBondContact O-CB 3.48Å; K196-Q200 VanDerWaalsContact O-CG 3.23Å; K196-Q200 WeakPolarHBondContact O-CG 3.27Å; K196-Q200 PolarHBondContact O-N 3.25Å; I197-Q200 PolarHBondContact O-N 3.48Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-Q200 PolarHBondContact O-N 2.99Å
201M95.2Very high96.9Very high109 Ų10969 Ų6954%0.53733%0.325SS..Hα-helixtrans-87.1-9.7-178.1-65.6-59.2-62.600113.4I197 M198I197-M201 HydrophobicContact CG2-CG 4.26Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.36Å; I197-M201 PolarHBondContact O-N 3.14Å; M198-M201 PolarHBondContact O-N 3.27Å
202S95.4Very high96.9Very high14 Ų1471.6 Ų71.610%0.09834%0.342CS..  trans-110.9138.7-176.4177.50000112.2E134 M198 H204E134-S202 WeakPolarHBondContact OE1-CB 3.48Å; E134-S202 PolarHBondContact OE1-OG 2.84Å; E134-S202 WeakPolarHBondContact OE2-CB 3.32Å; E134-S202 PolarHBondContact OE2-OG 3.48Å; M198-S202 PolarHBondContact O-N 3.47Å; S202-H204 PolarHBondContact O-N 3.25Å; S202-H204 WeakPolarHBondContact OG-CB 3.24Å; S202-H204 PolarHBondContact OG-N 3.31Å; S202-H204 PolarHBondContact OG-O 3.27Å
203D93.9Very high96.9Very high172 Ų17271.8 Ų71.892%0.9235%0.345SS*.SBendtrans-77.6-6.9168.5-67.8-37.3000112.3
204H94.2Very high96.9Very high67 Ų6768.3 Ų68.331%0.3133%0.332SS..SBendtrans-95134.5179.6-60.7-44.5000111.7E134 S202 Y206E134-H204 IonicContact OE1-CD2 3.37Å; E134-H204 PolarHBondContact OE1-CD2 2.87Å; S202-H204 PolarHBondContact O-N 3.25Å; S202-H204 WeakPolarHBondContact OG-CB 3.24Å; S202-H204 PolarHBondContact OG-N 3.31Å; S202-H204 PolarHBondContact OG-O 3.27Å; H204-Y206 HydrophobicContact CB-CD2 4.49Å; H204-Y206 HydrophobicContact CB-CE2 3.82Å; H204-Y206 PolarHBondContact O-N 3.22Å
205R94.5Very high96.9Very high219 Ų21971.8 Ų71.883%0.82635%0.349SS*.PPolyproline II helixtrans-83117.9168.6-173.4175.1174.1178.4-2.1109.8
206Y96.6Very high96.9Very high9 Ų971.8 Ų71.84%0.03535%0.349CS..PPolyproline II helixtrans-101.1136.6170.1-62.2-79000110.4T131 E134 F136 G181 I183 H204T131-Y206 HydrophobicContact CG2-CE1 4.03Å; T131-Y206 PolarHBondContact OG1-OH 3.4Å; E134-Y206 WeakPolarHBondContact OE1-CE2 3.32Å; E134-Y206 PolarHBondContact OE1-OH 3.46Å; F136-Y206 HydrophobicContact CE2-CE2 4.2Å; F136-Y206 HydrophobicContact CZ-CE2 4.4Å; G181-Y206 CarbonylContact O-C 3.56Å; G181-Y206 WeakPolarHBondContact O-CA 3.43Å; I183-Y206 HydrophobicContact CD1-CD1 4.26Å; I183-Y206 HydrophobicContact CD1-CD2 4.18Å; I183-Y206 HydrophobicContact CD1-CG 3.83Å; I183-Y206 HydrophobicContact CG1-CD1 4.4Å; I183-Y206 HydrophobicContact CG1-CG 4.34Å; H204-Y206 HydrophobicContact CB-CD2 4.49Å; H204-Y206 HydrophobicContact CB-CE2 3.82Å; H204-Y206 PolarHBondContact O-N 3.22Å
207D97.1Very high97Very high105 Ų10565.6 Ų65.656%0.56132%0.322SS*.EExtended strand (participates in β ladder)trans-74155.8163.8-68.5-44.1000109.4G181 L182 I183G181-D207 PolarHBondContact O-N 3.08Å; L182-D207 HydrophobicContact CD1-CB 3.9Å; I183-D207 PolarHBondContact N-O 3.09Å
208K97.4Very high97Very high104 Ų10463.1 Ų63.145%0.45231%0.31SS..EExtended strand (participates in β ladder)trans-127.2139.7178.771.4179.5-171.1171.20112I183 I185 L195I183-K208 CarbonylContact O-C 3.52Å; I183-K208 VanDerWaalsContact O-CA 3.27Å; I183-K208 WeakPolarHBondContact O-CA 3.4Å; I185-K208 HydrophobicContact CG2-CB 4.39Å; L195-K208 HydrophobicContact CD2-CB 4.4Å; L195-K208 HydrophobicContact CD2-CD 3.55Å
209L98.4Very high97.1Very high26 Ų2663.2 Ų63.214%0.13631%0.31CS..EExtended strand (participates in β ladder)trans-112.9105166.1-172.468.3000108.3L182 I183 I184 I185 V245 F246 L249L182-L209 HydrophobicContact CD1-CB 4.12Å; I183-L209 PolarHBondContact O-N 3.29Å; I184-L209 WeakPolarHBondContact CA-O 3.47Å; I184-L209 HydrophobicContact CG1-CB 4.29Å; I184-L209 HydrophobicContact CG1-CD2 4.33Å; I185-L209 PolarHBondContact N-O 2.81Å; L209-V245 HydrophobicContact CD1-CG1 3.49Å; L209-V245 VanDerWaalsContact CD1-CG1 3.49Å; L209-V245 HydrophobicContact CD2-CG1 4.11Å; L209-V245 HydrophobicContact CG-CG1 3.67Å; L209-F246 HydrophobicContact CD2-CD1 3.91Å; L209-F246 HydrophobicContact CD2-CE1 4.21Å; L209-L249 HydrophobicContact CD2-CD1 3.82Å; L209-L249 HydrophobicContact CD2-CD2 4.18Å; L209-L249 HydrophobicContact CD2-CG 4.08Å
210T98.7Very high97.2Very high53 Ų5359.8 Ų59.833%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-88.5124.5-179.2-56.40000110.6I185I185-T210 HydrophobicContact CG2-CG2 4.4Å; I185-T210 WeakPolarHBondContact CG2-OG1 3.4Å; I185-T210 CarbonylContact O-C 3.47Å; I185-T210 VanDerWaalsContact O-CA 3.28Å; I185-T210 WeakPolarHBondContact O-CA 3.38Å
211V98.8Very high97.3Very high1 Ų153.9 Ų53.91%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-107.2148.2174.8-64.60000110.3I184 I185 G186 S187 D213 A217 V245 F246I184-V211 HydrophobicContact CG2-CG1 4.2Å; I184-V211 HydrophobicContact CG2-CG2 4.35Å; I185-V211 PolarHBondContact O-N 3.19Å; G186-V211 CarbonylContact C-O 3.6Å; S187-V211 WeakPolarHBondContact CB-O 3.44Å; S187-V211 PolarHBondContact N-O 3.01Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 WeakPolarHBondContact CG2-O 3.39Å; V211-A217 HydrophobicContact CG2-CB 3.63Å; V211-V245 HydrophobicContact CG1-CB 4.13Å; V211-V245 HydrophobicContact CG1-CG1 3.99Å; V211-F246 HydrophobicContact CG1-CD1 4.49Å; V211-F246 HydrophobicContact CG1-CE1 3.7Å; V211-F246 HydrophobicContact CG1-CE2 4.47Å; V211-F246 HydrophobicContact CG1-CZ 3.69Å
212P98.3Very high97.4Very high56 Ų5648.7 Ų48.736%0.36424%0.241SC..SBendtrans-65.3-36.7-179.423.5-31.4000112.6S187 E241 S242S187-P212 WeakPolarHBondContact OG-CA 3.35Å; S187-P212 PolarHBondContact OG-O 3.01Å; P212-E241 HydrophobicContact CG-CB 3.7Å; P212-S242 WeakPolarHBondContact CD-OG 3.36Å; P212-S242 WeakPolarHBondContact CG-OG 3.39Å
213D98.3Very high97.5Very high55 Ų5550.1 Ų50.129%0.29425%0.248SC..SBendtrans-98.7117-176.1-48.2-77.9000110.8V211 I215 A216 A217 F239 S242V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 WeakPolarHBondContact CG2-O 3.39Å; D213-I215 VanDerWaalsContact C-N 3.32Å; D213-I215 PolarHBondContact O-N 3.21Å; D213-A216 HydrophobicContact CB-CB 3.99Å; D213-A216 WeakPolarHBondContact O-CB 3.35Å; D213-A216 PolarHBondContact O-N 3.46Å; D213-A216 VanDerWaalsContact O-N 3.09Å; D213-A217 PolarHBondContact O-N 2.91Å; D213-F239 HydrophobicContact CB-CD1 3.5Å; D213-F239 VanDerWaalsContact CB-CD1 3.5Å; D213-F239 HydrophobicContact CB-CE1 3.95Å; D213-F239 HydrophobicContact CB-CG 4.25Å; D213-F239 VanDerWaalsContact CG-CD1 3.46Å; D213-S242 WeakPolarHBondContact CB-OG 3.26Å; D213-S242 PolarHBondContact N-OG 3.48Å; D213-S242 PolarHBondContact OD2-OG 3.5Å
214D97.8Very high97.5Very high40 Ų4042.2 Ų42.221%0.21421%0.206CC..THydrogen-bonded Turntrans-56.3-44-177.3-8122000113.1F174 G186 S187 S188 A216 A217F174-D214 WeakPolarHBondContact CA-O 2.96Å; F174-D214 HydrophobicContact CB-CB 3.93Å; G186-D214 WeakPolarHBondContact CA-OD1 3.31Å; S187-D214 PolarHBondContact N-OD1 3.3Å; S187-D214 VanDerWaalsContact N-OD1 3.1Å; S188-D214 WeakPolarHBondContact CB-OD1 3.41Å; S188-D214 WeakPolarHBondContact CB-OD2 3.43Å; S188-D214 PolarHBondContact N-OD1 3.27Å; S188-D214 VanDerWaalsContact N-OD1 3.08Å; S188-D214 PolarHBondContact OG-OD1 3.12Å; S188-D214 PolarHBondContact OG-OD2 3.42Å; D214-A216 PolarHBondContact O-N 2.82Å; D214-A217 WeakPolarHBondContact O-CB 3.23Å; D214-A217 PolarHBondContact O-N 2.77Å
215I96.9Very high97.3Very high78 Ų7842.8 Ų42.840%0.422%0.215SC..G310 helixtrans-61.1-36.7180-62172.4000110.9D213 A217 N218 F239 V263D213-I215 VanDerWaalsContact C-N 3.32Å; D213-I215 PolarHBondContact O-N 3.21Å; I215-A217 PolarHBondContact O-N 2.93Å; I215-N218 PolarHBondContact O-N 3.24Å; I215-F239 HydrophobicContact CB-CZ 4.08Å; I215-F239 HydrophobicContact CG2-CE2 4.38Å; I215-F239 HydrophobicContact CG2-CZ 4.05Å; I215-V263 HydrophobicContact CD1-CG1 3.92Å; I215-V263 HydrophobicContact CG2-CG1 4.22Å; I215-V263 HydrophobicContact CG2-CG2 4.05Å
216A98.3Very high97Very high1 Ų140.7 Ų40.71%0.00822%0.22CC..G310 helixtrans-67.2-18.917800000112.6D213 D214 N218 C219 F239 F246D213-A216 HydrophobicContact CB-CB 3.99Å; D213-A216 WeakPolarHBondContact O-CB 3.35Å; D213-A216 PolarHBondContact O-N 3.46Å; D213-A216 VanDerWaalsContact O-N 3.09Å; D214-A216 PolarHBondContact O-N 2.82Å; A216-N218 PolarHBondContact O-N 3.48Å; A216-C219 PolarHBondContact O-SG 2.87Å; A216-F239 HydrophobicContact CB-CB 4.13Å; A216-F239 HydrophobicContact CB-CD2 4.15Å; A216-F239 HydrophobicContact CB-CG 4.02Å; A216-F246 WeakPolarHBondContact O-CZ 3.4Å
217A98.6Very high96.9Very high0 Ų043.6 Ų43.60%023%0.233CC..G310 helixtrans-70.4-13.5176.700000113.2F174 C175 S176 I184 V211 D213 D214 I215 C219F174-A217 VanDerWaalsContact O-CB 3.24Å; F174-A217 WeakPolarHBondContact O-CB 3.29Å; C175-A217 CarbonylContact C-O 3.58Å; S176-A217 WeakPolarHBondContact CB-O 3.45Å; S176-A217 PolarHBondContact N-O 3.09Å; S176-A217 PolarHBondContact OG-O 3.48Å; I184-A217 HydrophobicContact CG2-CB 3.97Å; V211-A217 HydrophobicContact CG2-CB 3.63Å; D213-A217 PolarHBondContact O-N 2.91Å; D214-A217 WeakPolarHBondContact O-CB 3.23Å; D214-A217 PolarHBondContact O-N 2.77Å; I215-A217 PolarHBondContact O-N 2.93Å; A217-C219 PolarHBondContact O-N 2.83Å
218N98.7Very high96.7Very high3 Ų340 Ų402%0.01622%0.221CC..  trans-81.2102.7170.3-172.3-83.3000109.8K172 I215 A216 A268 L269 T270K172-N218 PolarHBondContact O-ND2 3.03Å; I215-N218 PolarHBondContact O-N 3.24Å; A216-N218 PolarHBondContact O-N 3.48Å; N218-A268 HydrophobicContact CB-CB 3.76Å; N218-A268 WeakPolarHBondContact OD1-CB 3.4Å; N218-L269 PolarHBondContact OD1-N 3Å; N218-T270 PolarHBondContact ND2-OG1 2.72Å; N218-T270 WeakPolarHBondContact OD1-CG2 3.48Å; N218-T270 PolarHBondContact OD1-N 3.45Å; N218-T270 PolarHBondContact OD1-OG1 2.83Å
219C98.7Very high96.7Very high2 Ų237.7 Ų37.71%0.01421%0.212CC..  trans-127.2163.7-179.1-67.40000109.7S176 I184 A216 A217 L231 L232 F246 T270S176-C219 WeakPolarHBondContact CB-O 3.33Å; S176-C219 PolarHBondContact OG-N 3.31Å; S176-C219 PolarHBondContact OG-O 3.27Å; I184-C219 HydrophobicContact CD1-CB 3.85Å; A216-C219 PolarHBondContact O-SG 2.87Å; A217-C219 PolarHBondContact O-N 2.83Å; C219-L231 HydrophobicContact CB-CD1 3.78Å; C219-L231 HydrophobicContact CB-CG 4.27Å; C219-L232 WeakPolarHBondContact CA-O 3.44Å; C219-L232 VanDerWaalsContact CB-O 3.29Å; C219-L232 WeakPolarHBondContact CB-O 3.34Å; C219-F246 VanDerWaalsContact SG-CZ 3.58Å; C219-T270 VanDerWaalsContact O-CG2 3.26Å; C219-T270 WeakPolarHBondContact O-CG2 3.42Å
220V98.8Very high96.7Very high7 Ų736.5 Ų36.54%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-115.6107.9174.6-172.20000109.5M222 L232 L269 T270 L275V220-M222 HydrophobicContact CG1-CE 3.86Å; V220-M222 HydrophobicContact CG1-CG 4.41Å; V220-L232 HydrophobicContact CB-CB 4.12Å; V220-L232 PolarHBondContact N-O 2.66Å; V220-L232 PolarHBondContact O-N 3.35Å; V220-L269 HydrophobicContact CG2-CB 4.03Å; V220-T270 HydrophobicContact CG2-CG2 4.02Å; V220-L275 HydrophobicContact CG1-CD1 3.57Å
221Y98.6Very high96.7Very high10 Ų1034 Ų344%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-89.3138.3174.7170-101.6000111.9F8 M177 G178 P180 N223 H229 V230 H252F8-Y221 HydrophobicContact CD1-CD1 4.08Å; F8-Y221 AromaticContact CD1-CE1 3.71Å; F8-Y221 HydrophobicContact CD1-CE1 3.71Å; F8-Y221 AromaticContact CE1-CD1 3.69Å; F8-Y221 HydrophobicContact CE1-CD1 3.69Å; F8-Y221 AromaticContact CE1-CE1 3.83Å; F8-Y221 HydrophobicContact CE1-CE1 3.83Å; M177-Y221 WeakPolarHBondContact O-CB 3.36Å; G178-Y221 VanDerWaalsContact O-CD2 3.27Å; G178-Y221 WeakPolarHBondContact O-CD2 3.48Å; P180-Y221 WeakPolarHBondContact CD-OH 3.36Å; P180-Y221 HydrophobicContact CG-CE1 4.39Å; Y221-N223 WeakPolarHBondContact OH-CB 3.42Å; Y221-H229 HydrophobicContact CE2-CB 3.99Å; Y221-H229 AromaticContact CE2-ND1 3.52Å; Y221-H229 AromaticContact CZ-ND1 3.58Å; Y221-H229 PolarHBondContact OH-CE1 3Å; Y221-H229 PolarHBondContact OH-ND1 3.47Å; Y221-V230 WeakPolarHBondContact CA-O 3.41Å; Y221-V230 WeakPolarHBondContact CD2-O 3.22Å; Y221-H252 AromaticContact CE2-NE2 3.94Å
222M97.9Very high96.7Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-141.4152.4173.5-55.5177.1-110.400111G9 Y11 L51 L55 L57 V220 L224 V230 L232 L275G9-M222 CarbonylContact O-C 3.52Å; G9-M222 VanDerWaalsContact O-CA 3.27Å; G9-M222 WeakPolarHBondContact O-CA 3.45Å; Y11-M222 HydrophobicContact CD2-CB 4.24Å; Y11-M222 HydrophobicContact CD2-CG 3.77Å; Y11-M222 HydrophobicContact CD2-SD 4.47Å; Y11-M222 HydrophobicContact CE2-CG 4.12Å; L51-M222 HydrophobicContact CD2-CE 3.99Å; L55-M222 HydrophobicContact CD1-CE 3.18Å; L55-M222 HydrophobicContact CD1-SD 3.66Å; L57-M222 HydrophobicContact CD1-SD 4.02Å; V220-M222 HydrophobicContact CG1-CE 3.86Å; V220-M222 HydrophobicContact CG1-CG 4.41Å; M222-L224 HydrophobicContact CB-CD1 4.4Å; M222-L224 HydrophobicContact CB-CD2 4.17Å; M222-L224 HydrophobicContact CB-CG 4Å; M222-V230 HydrophobicContact CB-CB 4.43Å; M222-V230 PolarHBondContact N-O 2.95Å; M222-V230 PolarHBondContact O-N 2.86Å; M222-L232 HydrophobicContact CE-CD1 3.72Å; M222-L232 HydrophobicContact CE-CD2 4.19Å; M222-L275 HydrophobicContact CG-CD1 4.33Å; M222-L275 HydrophobicContact SD-CD1 4.45Å
223N96.2Very high96.8Very high44 Ų4431.6 Ų31.624%0.23517%0.173CC..EExtended strand (participates in β ladder)trans-120.497.3172.2-1695.2000109.6F8 G9 H10 Y221 G228F8-N223 WeakPolarHBondContact O-CB 3.4Å; G9-N223 PolarHBondContact O-N 3.41Å; H10-N223 WeakPolarHBondContact CA-O 3.47Å; H10-N223 PolarHBondContact ND1-O 2.56Å; Y221-N223 WeakPolarHBondContact OH-CB 3.42Å; N223-G228 WeakPolarHBondContact CA-O 3.21Å; N223-G228 PolarHBondContact OD1-O 3.04Å
224L94.4Very high96.8Very high7 Ų729.3 Ų29.34%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-107.7142.2-168.2-59.1179.3000112.1L55 L57 M222 N226 K227 G228 V230L55-L224 HydrophobicContact CB-CD1 3.69Å; L55-L224 HydrophobicContact CD1-CD1 4.23Å; L55-L224 HydrophobicContact CD2-CD1 3.95Å; L55-L224 HydrophobicContact CG-CD1 4.17Å; L57-L224 HydrophobicContact CD2-CD2 4.04Å; M222-L224 HydrophobicContact CB-CD1 4.4Å; M222-L224 HydrophobicContact CB-CD2 4.17Å; M222-L224 HydrophobicContact CB-CG 4Å; L224-N226 PolarHBondContact O-N 3.36Å; L224-K227 HydrophobicContact CB-CB 4.17Å; L224-K227 HydrophobicContact CB-CD 4.46Å; L224-K227 HydrophobicContact CD1-CD 4.33Å; L224-K227 PolarHBondContact O-N 3.34Å; L224-G228 PolarHBondContact N-O 3.19Å; L224-G228 PolarHBondContact O-N 2.95Å; L224-V230 HydrophobicContact CD1-CG2 4.35Å
225P89.7Confident96.8Very high79 Ų7928.1 Ų28.151%0.51316%0.156SC..THydrogen-bonded Turntrans-53.1134.5173.5-24.734.2000111K227P225-K227 PolarHBondContact O-N 2.98Å; P225-K227 VanDerWaalsContact O-N 3.09Å
226N88.6Confident96.8Very high175 Ų17526.7 Ų26.794%0.93616%0.156SC*.THydrogen-bonded Turntrans64.52.9-179.3-46.4-51.5000115.9L224L224-N226 PolarHBondContact O-N 3.36Å
227K93.8Very high96.8Very high70 Ų7034.5 Ų34.530%0.30419%0.192SC..THydrogen-bonded Turntrans-121.8-23.4175.3-58.8-174.7174.288.40113.4R54 L55 L224 P225 V230 M253R54-K227 WeakPolarHBondContact O-CE 3.43Å; R54-K227 PolarHBondContact O-NZ 2.97Å; L55-K227 HydrophobicContact CD2-CD 4.33Å; L55-K227 PolarHBondContact O-NZ 3.07Å; L224-K227 HydrophobicContact CB-CB 4.17Å; L224-K227 HydrophobicContact CB-CD 4.46Å; L224-K227 HydrophobicContact CD1-CD 4.33Å; L224-K227 PolarHBondContact O-N 3.34Å; P225-K227 PolarHBondContact O-N 2.98Å; P225-K227 VanDerWaalsContact O-N 3.09Å; K227-V230 HydrophobicContact CB-CG2 3.98Å; K227-M253 HydrophobicContact CB-CE 4.02Å; K227-M253 HydrophobicContact CD-SD 4.49Å; K227-M253 HydrophobicContact CG-CE 4.25Å
228G94.9Very high96.7Very high29 Ų2936.1 Ų36.130%0.29920%0.2SC..EExtended strand (participates in β ladder)trans69-140.7-176.700000111.6N223 L224 V230N223-G228 WeakPolarHBondContact CA-O 3.21Å; N223-G228 PolarHBondContact OD1-O 3.04Å; L224-G228 PolarHBondContact N-O 3.19Å; L224-G228 PolarHBondContact O-N 2.95Å; G228-V230 PolarHBondContact O-N 2.83Å
229H97.2Very high96.7Very high56 Ų5637.3 Ų37.326%0.25921%0.205SC..EExtended strand (participates in β ladder)trans-69.6119.2178.9-61.3-93.8000110.4Y221 H252 M253Y221-H229 HydrophobicContact CE2-CB 3.99Å; Y221-H229 AromaticContact CE2-ND1 3.52Å; Y221-H229 AromaticContact CZ-ND1 3.58Å; Y221-H229 PolarHBondContact OH-CE1 3Å; Y221-H229 PolarHBondContact OH-ND1 3.47Å; H229-H252 CarbonylContact O-C 3.6Å; H229-H252 WeakPolarHBondContact O-CA 3.38Å; H229-M253 PolarHBondContact O-N 3.43Å
230V98.4Very high96.6Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-116.8136.6175.3179.10000108.3L55 Y221 M222 L224 K227 G228 L232 M253 I255L55-V230 HydrophobicContact CD1-CG1 4.48Å; L55-V230 HydrophobicContact CD2-CG1 3.78Å; L55-V230 HydrophobicContact CD2-CG2 4.35Å; Y221-V230 WeakPolarHBondContact CA-O 3.41Å; Y221-V230 WeakPolarHBondContact CD2-O 3.22Å; M222-V230 HydrophobicContact CB-CB 4.43Å; M222-V230 PolarHBondContact N-O 2.95Å; M222-V230 PolarHBondContact O-N 2.86Å; L224-V230 HydrophobicContact CD1-CG2 4.35Å; K227-V230 HydrophobicContact CB-CG2 3.98Å; G228-V230 PolarHBondContact O-N 2.83Å; V230-L232 HydrophobicContact CG1-CD1 3.91Å; V230-M253 WeakPolarHBondContact CA-O 3.36Å; V230-M253 HydrophobicContact CG2-CB 4.22Å; V230-M253 HydrophobicContact CG2-SD 4.34Å; V230-I255 HydrophobicContact CG1-CD1 3.72Å; V230-I255 HydrophobicContact CG1-CG1 4.3Å
231L98.7Very high96.6Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-129.9114.4174.2-169.871.2000110I184 C219 F246 L249 M253 L254 I255I184-L231 HydrophobicContact CD1-CD1 3.98Å; I184-L231 HydrophobicContact CD1-CD2 3.96Å; C219-L231 HydrophobicContact CB-CD1 3.78Å; C219-L231 HydrophobicContact CB-CG 4.27Å; L231-F246 HydrophobicContact CD2-CD1 4.11Å; L231-L249 HydrophobicContact CD2-CD1 3.71Å; L231-M253 PolarHBondContact N-O 2.89Å; L231-L254 HydrophobicContact CB-CD2 4.02Å; L231-L254 HydrophobicContact CD2-CD2 4.1Å; L231-I255 PolarHBondContact O-N 2.95Å
232L98.8Very high96.6Very high0 Ų044.2 Ų44.20%024%0.242CC..EExtended strand (participates in β ladder)trans-82124.7165.2-86.158.8000108.1Y47 V50 L51 L55 C219 V220 M222 V230 I255 V257Y47-L232 HydrophobicContact CD2-CD2 4.42Å; Y47-L232 HydrophobicContact CE2-CD2 4.15Å; V50-L232 HydrophobicContact CG1-CD1 4.14Å; V50-L232 HydrophobicContact CG1-CD2 3.97Å; V50-L232 HydrophobicContact CG1-CG 4.23Å; L51-L232 HydrophobicContact CD2-CD2 4.22Å; L55-L232 HydrophobicContact CD1-CD1 4.01Å; C219-L232 WeakPolarHBondContact CA-O 3.44Å; C219-L232 VanDerWaalsContact CB-O 3.29Å; C219-L232 WeakPolarHBondContact CB-O 3.34Å; V220-L232 HydrophobicContact CB-CB 4.12Å; V220-L232 PolarHBondContact N-O 2.66Å; V220-L232 PolarHBondContact O-N 3.35Å; M222-L232 HydrophobicContact CE-CD1 3.72Å; M222-L232 HydrophobicContact CE-CD2 4.19Å; V230-L232 HydrophobicContact CG1-CD1 3.91Å; L232-I255 WeakPolarHBondContact CA-O 3.39Å; L232-I255 HydrophobicContact CD1-CB 3.96Å; L232-I255 HydrophobicContact CD1-CD1 4.04Å; L232-I255 HydrophobicContact CD1-CG1 4.43Å; L232-I255 HydrophobicContact CD1-CG2 4.38Å; L232-I255 HydrophobicContact CG-CB 4.29Å; L232-I255 HydrophobicContact CG-CG2 4.41Å; L232-V257 HydrophobicContact CB-CG2 4.37Å; L232-V257 HydrophobicContact CD2-CG2 4.08Å; L232-V257 HydrophobicContact CG-CG2 3.86Å
233H98.7Very high96.7Very high7 Ų744.7 Ų44.73%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-138.9168.7-178.96882.9000110.5F246 I255 P256 V257H233-F246 HydrophobicContact CB-CD2 3.74Å; H233-F246 HydrophobicContact CB-CE2 3.77Å; H233-F246 HydrophobicContact CB-CG 4.3Å; H233-F246 HydrophobicContact CB-CZ 4.33Å; H233-F246 AromaticContact CG-CD2 3.68Å; H233-F246 AromaticContact ND1-CD2 3.62Å; H233-I255 PolarHBondContact N-O 3.03Å; H233-I255 VanDerWaalsContact N-O 3.12Å; H233-P256 CarbonylContact O-C 3.5Å; H233-P256 WeakPolarHBondContact O-CA 3.34Å; H233-V257 PolarHBondContact O-N 3.41Å
234C98.1Very high96.8Very high8 Ų847.6 Ų47.65%0.05426%0.256CS..  trans-62.2164177.563.40000113.2F239 V243C234-F239 HydrophobicContact CB-CD2 3.62Å; C234-F239 HydrophobicContact CB-CE2 4.27Å; C234-V243 WeakPolarHBondContact O-CG2 3.1Å
235T98.4Very high97Very high15 Ų1548.1 Ų48.19%0.09226%0.259CS..  trans-85.6164.4-178.8880000113E237 E238 F239 P256T235-E237 VanDerWaalsContact C-N 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.48Å; T235-E237 PolarHBondContact O-N 3.4Å; T235-E237 PolarHBondContact OG1-N 2.84Å; T235-E237 PolarHBondContact OG1-OE2 3.4Å; T235-E238 PolarHBondContact N-OE2 3.07Å; T235-E238 PolarHBondContact O-N 3.17Å; T235-E238 WeakPolarHBondContact OG1-CG 3.34Å; T235-F239 PolarHBondContact O-N 2.9Å; T235-P256 HydrophobicContact CG2-CB 4.2Å
236A97.8Very high97.4Very high47 Ų4744.4 Ų44.439%0.38824%0.235SC..THydrogen-bonded Turntrans-70.9-2617900000112.1E238 P240 V243A236-E238 VanDerWaalsContact C-N 3.26Å; A236-P240 WeakPolarHBondContact O-CA 3.43Å; A236-P240 WeakPolarHBondContact O-CB 3.37Å; A236-P240 WeakPolarHBondContact O-CD 3.42Å; A236-V243 HydrophobicContact CB-CB 4.37Å; A236-V243 HydrophobicContact CB-CG1 4.2Å; A236-V243 HydrophobicContact CB-CG2 4.37Å
237E97.6Very high97.8Very high166 Ų16641.1 Ų41.178%0.77621%0.214SC*.THydrogen-bonded Turntrans-67.9-28.7173-59.775.2-162.500111.9T235T235-E237 VanDerWaalsContact C-N 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.48Å; T235-E237 PolarHBondContact O-N 3.4Å; T235-E237 PolarHBondContact OG1-N 2.84Å; T235-E237 PolarHBondContact OG1-OE2 3.4Å
238E96.9Very high97.9Very high33 Ų3344.8 Ų44.815%0.15423%0.23CC..THydrogen-bonded Turntrans-88.7-52.6-177.7-61.3170.3160.800111.6T235 A236 S258 N259 M260T235-E238 PolarHBondContact N-OE2 3.07Å; T235-E238 PolarHBondContact O-N 3.17Å; T235-E238 WeakPolarHBondContact OG1-CG 3.34Å; A236-E238 VanDerWaalsContact C-N 3.26Å; E238-S258 WeakPolarHBondContact OE1-CA 3.33Å; E238-S258 WeakPolarHBondContact OE1-CB 3.34Å; E238-S258 PolarHBondContact OE1-OG 2.86Å; E238-N259 PolarHBondContact OE1-N 3.18Å; E238-N259 VanDerWaalsContact OE1-N 3.1Å; E238-M260 HydrophobicContact CB-CG 4.3Å; E238-M260 HydrophobicContact CB-SD 3.89Å; E238-M260 HydrophobicContact CG-CG 3.52Å; E238-M260 HydrophobicContact CG-SD 3.74Å; E238-M260 VanDerWaalsContact OE1-CG 3.29Å; E238-M260 WeakPolarHBondContact OE1-CG 3.49Å
239F98.1Very high97.9Very high28 Ų2844.5 Ų44.512%0.12322%0.221CC..  trans-137.773.2-175.2-58.1-79.2000111.2D213 I215 A216 C234 T235 E241 S242 V243 M260D213-F239 HydrophobicContact CB-CD1 3.5Å; D213-F239 VanDerWaalsContact CB-CD1 3.5Å; D213-F239 HydrophobicContact CB-CE1 3.95Å; D213-F239 HydrophobicContact CB-CG 4.25Å; D213-F239 VanDerWaalsContact CG-CD1 3.46Å; I215-F239 HydrophobicContact CB-CZ 4.08Å; I215-F239 HydrophobicContact CG2-CE2 4.38Å; I215-F239 HydrophobicContact CG2-CZ 4.05Å; A216-F239 HydrophobicContact CB-CB 4.13Å; A216-F239 HydrophobicContact CB-CD2 4.15Å; A216-F239 HydrophobicContact CB-CG 4.02Å; C234-F239 HydrophobicContact CB-CD2 3.62Å; C234-F239 HydrophobicContact CB-CE2 4.27Å; T235-F239 PolarHBondContact O-N 2.9Å; F239-E241 VanDerWaalsContact C-N 3.33Å; F239-E241 PolarHBondContact O-N 3.49Å; F239-S242 PolarHBondContact O-N 3.07Å; F239-V243 WeakPolarHBondContact O-CG2 3.15Å; F239-V243 PolarHBondContact O-N 3.18Å; F239-M260 HydrophobicContact CE2-SD 3.91Å; F239-M260 HydrophobicContact CZ-CE 4.41Å; F239-M260 HydrophobicContact CZ-SD 4.26Å
240P98.3Very high97.8Very high64 Ų6450.4 Ų50.442%0.41625%0.246SC..Hα-helixtrans-59.7-39.1-171.420.4-32000113.4A236 V243 K244A236-P240 WeakPolarHBondContact O-CA 3.43Å; A236-P240 WeakPolarHBondContact O-CB 3.37Å; A236-P240 WeakPolarHBondContact O-CD 3.42Å; P240-V243 PolarHBondContact O-N 3.03Å; P240-K244 WeakPolarHBondContact O-CG 3.21Å; P240-K244 PolarHBondContact O-N 3.27Å
241E98.5Very high97.6Very high100 Ų10055.4 Ų55.447%0.46727%0.273SS..Hα-helixtrans-72.7-34.2-179.1-58.4-50.7129.900112.2P212 F239 K244P212-E241 HydrophobicContact CG-CB 3.7Å; F239-E241 VanDerWaalsContact C-N 3.33Å; F239-E241 PolarHBondContact O-N 3.49Å; E241-K244 IonicContact OE1-NZ 3.89Å; E241-K244 PolarHBondContact OE1-NZ 3.3Å; E241-K244 WeakPolarHBondContact OE2-CD 2.82Å; E241-K244 IonicContact OE2-NZ 2.83Å; E241-K244 PolarHBondContact OE2-NZ 3.42Å
242S98.5Very high97.6Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-68.7-38.8172.6-66.60000112P212 D213 F239 K244 V245 F246P212-S242 WeakPolarHBondContact CD-OG 3.36Å; P212-S242 WeakPolarHBondContact CG-OG 3.39Å; D213-S242 WeakPolarHBondContact CB-OG 3.26Å; D213-S242 PolarHBondContact N-OG 3.48Å; D213-S242 PolarHBondContact OD2-OG 3.5Å; F239-S242 PolarHBondContact O-N 3.07Å; S242-K244 PolarHBondContact O-N 3.46Å; S242-V245 WeakPolarHBondContact O-CA 3.39Å; S242-V245 VanDerWaalsContact O-CB 3.3Å; S242-V245 WeakPolarHBondContact O-CB 3.37Å; S242-V245 PolarHBondContact O-N 3.09Å; S242-F246 WeakPolarHBondContact O-CD2 3.48Å; S242-F246 PolarHBondContact O-N 2.99Å
243V98.4Very high97.5Very high10 Ų1059.8 Ų59.86%0.06129%0.294CS..Hα-helixtrans-62.7-40.1175.6173.60000112.4C234 A236 F239 P240 V245 F246 E247C234-V243 WeakPolarHBondContact O-CG2 3.1Å; A236-V243 HydrophobicContact CB-CB 4.37Å; A236-V243 HydrophobicContact CB-CG1 4.2Å; A236-V243 HydrophobicContact CB-CG2 4.37Å; F239-V243 WeakPolarHBondContact O-CG2 3.15Å; F239-V243 PolarHBondContact O-N 3.18Å; P240-V243 PolarHBondContact O-N 3.03Å; V243-V245 PolarHBondContact O-N 2.93Å; V243-V245 VanDerWaalsContact O-N 3.12Å; V243-F246 PolarHBondContact O-N 3.12Å; V243-E247 HydrophobicContact CG1-CG 4.25Å; V243-E247 WeakPolarHBondContact O-CG 3.21Å; V243-E247 PolarHBondContact O-N 3.44Å
244K98.4Very high97.5Very high106 Ų10661.5 Ų61.546%0.46130%0.303SS..Hα-helixtrans-57.9-26.6173-69.1172.3-167.5168.30113.2P240 E241 S242P240-K244 WeakPolarHBondContact O-CG 3.21Å; P240-K244 PolarHBondContact O-N 3.27Å; E241-K244 IonicContact OE1-NZ 3.89Å; E241-K244 PolarHBondContact OE1-NZ 3.3Å; E241-K244 WeakPolarHBondContact OE2-CD 2.82Å; E241-K244 IonicContact OE2-NZ 2.83Å; E241-K244 PolarHBondContact OE2-NZ 3.42Å; S242-K244 PolarHBondContact O-N 3.46Å
245V98.6Very high97.6Very high18 Ų1861.1 Ų61.111%0.10930%0.301CS..Hα-helixtrans-74.8-46.2174177.70000110.2L209 V211 S242 V243 E247 K248L209-V245 HydrophobicContact CD1-CG1 3.49Å; L209-V245 VanDerWaalsContact CD1-CG1 3.49Å; L209-V245 HydrophobicContact CD2-CG1 4.11Å; L209-V245 HydrophobicContact CG-CG1 3.67Å; V211-V245 HydrophobicContact CG1-CB 4.13Å; V211-V245 HydrophobicContact CG1-CG1 3.99Å; S242-V245 WeakPolarHBondContact O-CA 3.39Å; S242-V245 VanDerWaalsContact O-CB 3.3Å; S242-V245 WeakPolarHBondContact O-CB 3.37Å; S242-V245 PolarHBondContact O-N 3.09Å; V243-V245 PolarHBondContact O-N 2.93Å; V243-V245 VanDerWaalsContact O-N 3.12Å; V245-E247 VanDerWaalsContact C-N 3.33Å; V245-E247 PolarHBondContact O-N 3.06Å; V245-K248 VanDerWaalsContact O-CB 3.32Å; V245-K248 WeakPolarHBondContact O-CB 3.1Å; V245-K248 PolarHBondContact O-N 3.37Å
246F98.3Very high97.6Very high0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-61.8-38.1177.9-60.1-47.2000112.9I184 L209 V211 A216 C219 L231 H233 S242 V243 K248 L249 L254I184-F246 HydrophobicContact CD1-CE1 4.02Å; I184-F246 HydrophobicContact CG2-CE1 3.93Å; I184-F246 HydrophobicContact CG2-CZ 4.36Å; L209-F246 HydrophobicContact CD2-CD1 3.91Å; L209-F246 HydrophobicContact CD2-CE1 4.21Å; V211-F246 HydrophobicContact CG1-CD1 4.49Å; V211-F246 HydrophobicContact CG1-CE1 3.7Å; V211-F246 HydrophobicContact CG1-CE2 4.47Å; V211-F246 HydrophobicContact CG1-CZ 3.69Å; A216-F246 WeakPolarHBondContact O-CZ 3.4Å; C219-F246 VanDerWaalsContact SG-CZ 3.58Å; L231-F246 HydrophobicContact CD2-CD1 4.11Å; H233-F246 HydrophobicContact CB-CD2 3.74Å; H233-F246 HydrophobicContact CB-CE2 3.77Å; H233-F246 HydrophobicContact CB-CG 4.3Å; H233-F246 HydrophobicContact CB-CZ 4.33Å; H233-F246 AromaticContact CG-CD2 3.68Å; H233-F246 AromaticContact ND1-CD2 3.62Å; S242-F246 WeakPolarHBondContact O-CD2 3.48Å; S242-F246 PolarHBondContact O-N 2.99Å; V243-F246 PolarHBondContact O-N 3.12Å; F246-K248 PolarHBondContact O-N 3.11Å; F246-L249 VanDerWaalsContact O-CB 3.29Å; F246-L249 WeakPolarHBondContact O-CB 3.29Å; F246-L249 PolarHBondContact O-N 3.19Å; F246-L254 HydrophobicContact CB-CD1 4.41Å; F246-L254 VanDerWaalsContact O-CD1 3.31Å; F246-L254 WeakPolarHBondContact O-CD1 3.12Å
247E97.4Very high97.6Very high106 Ų10661.9 Ų61.950%0.49530%0.302SS..THydrogen-bonded Turntrans-57.9-13.8177.6-73.6177.2163.200114.1V243 V245 L249 K250V243-E247 HydrophobicContact CG1-CG 4.25Å; V243-E247 WeakPolarHBondContact O-CG 3.21Å; V243-E247 PolarHBondContact O-N 3.44Å; V245-E247 VanDerWaalsContact C-N 3.33Å; V245-E247 PolarHBondContact O-N 3.06Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-K250 WeakPolarHBondContact O-CE 3.4Å; E247-K250 PolarHBondContact O-NZ 3.1Å
248K95.3Very high97.6Very high147 Ų14755.6 Ų55.664%0.63928%0.276SS*.THydrogen-bonded Turntrans-77.9-17.7174.1-59173-174.3171.40113V245 F246 K250V245-K248 VanDerWaalsContact O-CB 3.32Å; V245-K248 WeakPolarHBondContact O-CB 3.1Å; V245-K248 PolarHBondContact O-N 3.37Å; F246-K248 PolarHBondContact O-N 3.11Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 3.28Å
249L96.5Very high97.6Very high23 Ų2354.3 Ų54.312%0.1227%0.271CS..  trans-77.377.7176.2-61.4177.6000110.7L182 L209 L231 F246 E247 D251 H252 L254L182-L249 HydrophobicContact CD2-CD2 4.09Å; L209-L249 HydrophobicContact CD2-CD1 3.82Å; L209-L249 HydrophobicContact CD2-CD2 4.18Å; L209-L249 HydrophobicContact CD2-CG 4.08Å; L231-L249 HydrophobicContact CD2-CD1 3.71Å; F246-L249 VanDerWaalsContact O-CB 3.29Å; F246-L249 WeakPolarHBondContact O-CB 3.29Å; F246-L249 PolarHBondContact O-N 3.19Å; E247-L249 VanDerWaalsContact C-N 3.34Å; L249-D251 PolarHBondContact O-N 2.55Å; L249-H252 HydrophobicContact CB-CB 3.99Å; L249-H252 PolarHBondContact O-N 3.4Å; L249-L254 HydrophobicContact CB-CD2 4.43Å
250K94.7Very high97.6Very high181 Ų18155.5 Ų55.579%0.78728%0.277SS*.THydrogen-bonded Turntrans-70.1-17.3-174.7-59.9-51.2-173.8-169.10114.6E247 K248E247-K250 WeakPolarHBondContact O-CE 3.4Å; E247-K250 PolarHBondContact O-NZ 3.1Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 3.28Å
251D94.5Very high97.6Very high104 Ų10452.7 Ų52.756%0.55626%0.259SS*.THydrogen-bonded Turntrans-89.4-4.917761.6-30.4000113.2L249L249-D251 PolarHBondContact O-N 2.55Å
252H97.7Very high97.5Very high21 Ų2148 Ų4810%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-103.7138.4179.8-68.164.3000111.8G178 Y221 H229 L249 L254G178-H252 PolarHBondContact O-NE2 3.42Å; Y221-H252 AromaticContact CE2-NE2 3.94Å; H229-H252 CarbonylContact O-C 3.6Å; H229-H252 WeakPolarHBondContact O-CA 3.38Å; L249-H252 HydrophobicContact CB-CB 3.99Å; L249-H252 PolarHBondContact O-N 3.4Å; H252-L254 HydrophobicContact CB-CD2 3.84Å; H252-L254 HydrophobicContact CB-CG 4.47Å; H252-L254 PolarHBondContact O-N 2.67Å
253M97.9Very high97.5Very high71 Ų7149.1 Ų49.135%0.3524%0.244SC..EExtended strand (participates in β ladder)trans-76101.2158.9-178.5-177.4-60.900108.5K227 H229 V230 L231 I255K227-M253 HydrophobicContact CB-CE 4.02Å; K227-M253 HydrophobicContact CD-SD 4.49Å; K227-M253 HydrophobicContact CG-CE 4.25Å; H229-M253 PolarHBondContact O-N 3.43Å; V230-M253 WeakPolarHBondContact CA-O 3.36Å; V230-M253 HydrophobicContact CG2-CB 4.22Å; V230-M253 HydrophobicContact CG2-SD 4.34Å; L231-M253 PolarHBondContact N-O 2.89Å; M253-I255 HydrophobicContact CG-CG1 4.33Å; M253-I255 HydrophobicContact SD-CD1 4.37Å
254L98.5Very high97.4Very high43 Ų4351 Ų5123%0.22525%0.251CS..EExtended strand (participates in β ladder)trans-81.6129.4178.9-59.4-179.3000110.8L231 F246 L249 H252L231-L254 HydrophobicContact CB-CD2 4.02Å; L231-L254 HydrophobicContact CD2-CD2 4.1Å; F246-L254 HydrophobicContact CB-CD1 4.41Å; F246-L254 VanDerWaalsContact O-CD1 3.31Å; F246-L254 WeakPolarHBondContact O-CD1 3.12Å; L249-L254 HydrophobicContact CB-CD2 4.43Å; H252-L254 HydrophobicContact CB-CD2 3.84Å; H252-L254 HydrophobicContact CB-CG 4.47Å; H252-L254 PolarHBondContact O-N 2.67Å
255I98.6Very high97.4Very high0 Ų046.1 Ų46.10%023%0.23CC..EExtended strand (participates in β ladder)trans-126.9103.6178.6-56.1-178.7000108.5V50 R54 L55 V230 L231 L232 H233 M253 V257V50-I255 HydrophobicContact CG1-CD1 4.35Å; V50-I255 HydrophobicContact CG1-CG2 3.94Å; V50-I255 HydrophobicContact CG2-CG2 4.26Å; R54-I255 HydrophobicContact CG-CD1 4.4Å; L55-I255 HydrophobicContact CD2-CD1 3.64Å; V230-I255 HydrophobicContact CG1-CD1 3.72Å; V230-I255 HydrophobicContact CG1-CG1 4.3Å; L231-I255 PolarHBondContact O-N 2.95Å; L232-I255 WeakPolarHBondContact CA-O 3.39Å; L232-I255 HydrophobicContact CD1-CB 3.96Å; L232-I255 HydrophobicContact CD1-CD1 4.04Å; L232-I255 HydrophobicContact CD1-CG1 4.43Å; L232-I255 HydrophobicContact CD1-CG2 4.38Å; L232-I255 HydrophobicContact CG-CB 4.29Å; L232-I255 HydrophobicContact CG-CG2 4.41Å; H233-I255 PolarHBondContact N-O 3.03Å; H233-I255 VanDerWaalsContact N-O 3.12Å; M253-I255 HydrophobicContact CG-CG1 4.33Å; M253-I255 HydrophobicContact SD-CD1 4.37Å; I255-V257 HydrophobicContact CG2-CG2 4.07Å
256P98.4Very high97.2Very high71 Ų7147.3 Ų47.346%0.46124%0.235SC..EExtended strand (participates in β ladder)trans-69.6133.5174.128.1-32.9000110H233 T235H233-P256 CarbonylContact O-C 3.5Å; H233-P256 WeakPolarHBondContact O-CA 3.34Å; T235-P256 HydrophobicContact CG2-CB 4.2Å
257V98.1Very high97.1Very high8 Ų847.5 Ų47.55%0.04824%0.237CC..  trans-135.5129.4176.8-173.70000109.3Y47 V50 L232 H233 I255 L269Y47-V257 HydrophobicContact CD2-CG1 4.01Å; V50-V257 HydrophobicContact CG2-CG2 4.42Å; L232-V257 HydrophobicContact CB-CG2 4.37Å; L232-V257 HydrophobicContact CD2-CG2 4.08Å; L232-V257 HydrophobicContact CG-CG2 3.86Å; H233-V257 PolarHBondContact O-N 3.41Å; I255-V257 HydrophobicContact CG2-CG2 4.07Å; V257-L269 HydrophobicContact CB-CD2 4.12Å; V257-L269 HydrophobicContact CG1-CD2 4.2Å
258S98.1Very high97.1Very high33 Ų3343 Ų4323%0.23122%0.218CC..  trans-80140.8179.3-174.50000111.7E43 E238E43-S258 PolarHBondContact OE1-OG 2.66Å; E238-S258 WeakPolarHBondContact OE1-CA 3.33Å; E238-S258 WeakPolarHBondContact OE1-CB 3.34Å; E238-S258 PolarHBondContact OE1-OG 2.86Å
259N97.7Very high97.2Very high7 Ų736.3 Ų36.34%0.03719%0.19CC..  trans-144.39-177-155.563.8000114.7E43 E238 E261 K262 V263 G267 A268 L269E43-N259 VanDerWaalsContact OE2-C 3.26Å; E238-N259 PolarHBondContact OE1-N 3.18Å; E238-N259 VanDerWaalsContact OE1-N 3.1Å; N259-E261 VanDerWaalsContact C-N 3.29Å; N259-E261 PolarHBondContact O-N 2.81Å; N259-K262 PolarHBondContact O-N 3.22Å; N259-K262 VanDerWaalsContact O-N 3.09Å; N259-K262 WeakPolarHBondContact OD1-CE 3.47Å; N259-K262 PolarHBondContact OD1-NZ 3.15Å; N259-V263 WeakPolarHBondContact O-CG2 3.48Å; N259-V263 PolarHBondContact O-N 3.21Å; N259-V263 VanDerWaalsContact O-N 3.11Å; N259-G267 PolarHBondContact ND2-O 2.85Å; N259-A268 VanDerWaalsContact ND2-C 3.33Å; N259-A268 WeakPolarHBondContact ND2-CA 3.37Å; N259-A268 PolarHBondContact ND2-O 3.21Å; N259-L269 HydrophobicContact CB-CD2 3.94Å
260M96.9Very high97.3Very high52 Ų5235.8 Ų35.826%0.25619%0.188SC..Hα-helixtrans-61.6-32-165.6-69.3-45.7-61.300114.7E43 E238 F239 K262 V263 K264E43-M260 PolarHBondContact OE2-N 3.15Å; E238-M260 HydrophobicContact CB-CG 4.3Å; E238-M260 HydrophobicContact CB-SD 3.89Å; E238-M260 HydrophobicContact CG-CG 3.52Å; E238-M260 HydrophobicContact CG-SD 3.74Å; E238-M260 VanDerWaalsContact OE1-CG 3.29Å; E238-M260 WeakPolarHBondContact OE1-CG 3.49Å; F239-M260 HydrophobicContact CE2-SD 3.91Å; F239-M260 HydrophobicContact CZ-CE 4.41Å; F239-M260 HydrophobicContact CZ-SD 4.26Å; M260-K262 VanDerWaalsContact C-N 3.3Å; M260-K262 PolarHBondContact O-N 2.82Å; M260-V263 HydrophobicContact CE-CB 4.43Å; M260-V263 HydrophobicContact CE-CG1 4.33Å; M260-V263 PolarHBondContact O-N 3.27Å; M260-K264 PolarHBondContact O-N 3.14Å
261E98.1Very high97.4Very high6 Ų627.6 Ų27.63%0.02815%0.153CC..Hα-helixtrans-69.1-33.8179.9-66-55.5131.500111.9V35 D36 R39 A40 E43 N259 K264V35-E261 HydrophobicContact CG1-CB 4.36Å; D36-E261 PolarHBondContact N-OE2 3.37Å; R39-E261 HydrophobicContact CB-CG 3.83Å; R39-E261 WeakPolarHBondContact CD-OE1 3.46Å; R39-E261 HydrophobicContact CG-CG 3.62Å; R39-E261 IonicContact CZ-OE1 3.95Å; R39-E261 IonicContact NE-OE1 3.73Å; R39-E261 IonicContact NH1-OE1 3.82Å; A40-E261 HydrophobicContact CB-CB 3.65Å; A40-E261 HydrophobicContact CB-CG 4.34Å; E43-E261 PolarHBondContact OE2-N 3.38Å; N259-E261 VanDerWaalsContact C-N 3.29Å; N259-E261 PolarHBondContact O-N 2.81Å; E261-K264 WeakPolarHBondContact O-CB 3.38Å; E261-K264 PolarHBondContact O-N 2.81Å; E261-K264 IonicContact OE1-NZ 3.86Å; E261-K264 PolarHBondContact OE1-NZ 3.47Å; E261-K264 WeakPolarHBondContact OE2-CE 3.32Å; E261-K264 IonicContact OE2-NZ 2.68Å; E261-K264 PolarHBondContact OE2-NZ 3.15Å
262K97.6Very high97.6Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-77.9-28.8176.9-66.6-178.2-60-59.70111.9I19 E43 V72 F73 N259 M260 K264 V265 D266 G267 C272I19-K262 HydrophobicContact CD1-CD 4.17Å; E43-K262 IonicContact OE2-NZ 3.95Å; V72-K262 HydrophobicContact CG2-CD 4.35Å; F73-K262 HydrophobicContact CE1-CB 4.11Å; F73-K262 HydrophobicContact CE1-CD 4.3Å; F73-K262 HydrophobicContact CE1-CG 4.43Å; F73-K262 HydrophobicContact CZ-CB 4.2Å; F73-K262 HydrophobicContact CZ-CG 4.49Å; N259-K262 PolarHBondContact O-N 3.22Å; N259-K262 VanDerWaalsContact O-N 3.09Å; N259-K262 WeakPolarHBondContact OD1-CE 3.47Å; N259-K262 PolarHBondContact OD1-NZ 3.15Å; M260-K262 VanDerWaalsContact C-N 3.3Å; M260-K262 PolarHBondContact O-N 2.82Å; K262-K264 PolarHBondContact O-N 3.2Å; K262-V265 CarbonylContact O-C 3.43Å; K262-V265 WeakPolarHBondContact O-CG2 3.27Å; K262-V265 PolarHBondContact O-N 3.45Å; K262-D266 PolarHBondContact O-N 3.35Å; K262-G267 CarbonylContact C-O 3.6Å; K262-G267 WeakPolarHBondContact O-CA 3.1Å; K262-G267 PolarHBondContact O-N 3.47Å; K262-C272 WeakPolarHBondContact CE-SG 3.48Å
263V96.9Very high97.6Very high25 Ų2522 Ų2215%0.15212%0.124CC..Hα-helixtrans-59.4-31.7171.9171.30000112.1I215 N259 M260 V265 D266 G267I215-V263 HydrophobicContact CD1-CG1 3.92Å; I215-V263 HydrophobicContact CG2-CG1 4.22Å; I215-V263 HydrophobicContact CG2-CG2 4.05Å; N259-V263 WeakPolarHBondContact O-CG2 3.48Å; N259-V263 PolarHBondContact O-N 3.21Å; N259-V263 VanDerWaalsContact O-N 3.11Å; M260-V263 HydrophobicContact CE-CB 4.43Å; M260-V263 HydrophobicContact CE-CG1 4.33Å; M260-V263 PolarHBondContact O-N 3.27Å; V263-V265 PolarHBondContact O-N 3.48Å; V263-D266 PolarHBondContact O-N 3.28Å; V263-G267 VanDerWaalsContact CA-O 3.23Å; V263-G267 WeakPolarHBondContact CA-O 3.47Å; V263-G267 WeakPolarHBondContact CG2-O 3.43Å; V263-G267 PolarHBondContact N-O 2.83Å
264K97.6Very high97.7Very high49 Ų4919 Ų1921%0.21311%0.11CC..THydrogen-bonded Turntrans-63.9-19.8176.4-62.5171.7-176.9175.50113.4A33 E34 V35 M260 E261 K262A33-K264 HydrophobicContact CB-CB 4.12Å; A33-K264 HydrophobicContact CB-CD 3.95Å; A33-K264 HydrophobicContact CB-CG 3.81Å; E34-K264 VanDerWaalsContact O-CD 3.24Å; E34-K264 WeakPolarHBondContact O-CD 3.46Å; E34-K264 WeakPolarHBondContact O-CE 3.41Å; E34-K264 PolarHBondContact O-NZ 2.82Å; V35-K264 HydrophobicContact CG2-CB 4.08Å; V35-K264 HydrophobicContact CG2-CD 4.41Å; M260-K264 PolarHBondContact O-N 3.14Å; E261-K264 WeakPolarHBondContact O-CB 3.38Å; E261-K264 PolarHBondContact O-N 2.81Å; E261-K264 IonicContact OE1-NZ 3.86Å; E261-K264 PolarHBondContact OE1-NZ 3.47Å; E261-K264 WeakPolarHBondContact OE2-CE 3.32Å; E261-K264 IonicContact OE2-NZ 2.68Å; E261-K264 PolarHBondContact OE2-NZ 3.15Å; K262-K264 PolarHBondContact O-N 3.2Å
265V97.3Very high97.6Very high4 Ų418.1 Ų18.12%0.02411%0.105CC..THydrogen-bonded Turntrans-115.635.3174.7-61.70000111.3L23 A27 R29 V35 F73 K262 V263 G267L23-V265 HydrophobicContact CD2-CG2 4.27Å; A27-V265 HydrophobicContact CB-CB 4.16Å; A27-V265 HydrophobicContact CB-CG1 4.03Å; R29-V265 HydrophobicContact CB-CB 4.19Å; R29-V265 HydrophobicContact CB-CG1 4.12Å; V35-V265 HydrophobicContact CG2-CG1 3.74Å; F73-V265 HydrophobicContact CE2-CG2 3.91Å; F73-V265 HydrophobicContact CZ-CG2 3.69Å; K262-V265 CarbonylContact O-C 3.43Å; K262-V265 WeakPolarHBondContact O-CG2 3.27Å; K262-V265 PolarHBondContact O-N 3.45Å; V263-V265 PolarHBondContact O-N 3.48Å; V265-G267 PolarHBondContact O-N 3.48Å; V265-G267 VanDerWaalsContact O-N 3.09Å
266D95.9Very high97.6Very high42 Ų4218.1 Ų18.123%0.22511%0.105CC..THydrogen-bonded Turntrans62.112.9175.6-53.6-28000115.3R29 T30 L169 K262 V263R29-D266 WeakPolarHBondContact CA-OD2 3.33Å; T30-D266 WeakPolarHBondContact CB-OD2 3.48Å; T30-D266 PolarHBondContact N-OD1 3.46Å; T30-D266 PolarHBondContact N-OD2 3.09Å; T30-D266 PolarHBondContact OG1-OD2 3.02Å; L169-D266 HydrophobicContact CD2-CB 3.73Å; K262-D266 PolarHBondContact O-N 3.35Å; V263-D266 PolarHBondContact O-N 3.28Å
267G95.5Very high97.2Very high4 Ų416.7 Ų16.74%0.04110%0.097CC..  trans-86.3141.8177.600000114N259 K262 V263 V265N259-G267 PolarHBondContact ND2-O 2.85Å; K262-G267 CarbonylContact C-O 3.6Å; K262-G267 WeakPolarHBondContact O-CA 3.1Å; K262-G267 PolarHBondContact O-N 3.47Å; V263-G267 VanDerWaalsContact CA-O 3.23Å; V263-G267 WeakPolarHBondContact CA-O 3.47Å; V263-G267 WeakPolarHBondContact CG2-O 3.43Å; V263-G267 PolarHBondContact N-O 2.83Å; V265-G267 PolarHBondContact O-N 3.48Å; V265-G267 VanDerWaalsContact O-N 3.09Å
268A96.4Very high96.4Very high11 Ų1119.5 Ų19.59%0.09111%0.109CC..  trans-123.1-171.8177.200000112.2N218 N259 C271 C272N218-A268 HydrophobicContact CB-CB 3.76Å; N218-A268 WeakPolarHBondContact OD1-CB 3.4Å; N259-A268 VanDerWaalsContact ND2-C 3.33Å; N259-A268 WeakPolarHBondContact ND2-CA 3.37Å; N259-A268 PolarHBondContact ND2-O 3.21Å; A268-C271 PolarHBondContact N-SG 2.83Å; A268-C271 PolarHBondContact O-N 2.82Å; A268-C272 PolarHBondContact O-SG 3.49Å
269L98.1Very high94.9Very high7 Ų722.4 Ų22.44%0.03712%0.121CC..THydrogen-bonded Turntrans-68.3-40.4-176.4-70.9177.1000112.7Y47 N218 V220 V257 N259 C271Y47-L269 HydrophobicContact CD2-CD2 4.29Å; Y47-L269 HydrophobicContact CE2-CD2 4.38Å; Y47-L269 PolarHBondContact OH-O 3.23Å; N218-L269 PolarHBondContact OD1-N 3Å; V220-L269 HydrophobicContact CG2-CB 4.03Å; V257-L269 HydrophobicContact CB-CD2 4.12Å; V257-L269 HydrophobicContact CG1-CD2 4.2Å; N259-L269 HydrophobicContact CB-CD2 3.94Å; L269-C271 VanDerWaalsContact C-N 3.27Å; L269-C271 PolarHBondContact O-N 3.05Å
270T98.4Very high92.8Very high13 Ų1327.7 Ų27.78%0.0816%0.156CC..G310 helixtrans-66.8-33.1178.365.30000111.5E75 N218 C219 V220 C272 S273E75-T270 WeakPolarHBondContact OE1-CB 2.98Å; E75-T270 PolarHBondContact OE1-OG1 2.85Å; E75-T270 WeakPolarHBondContact OE2-CB 3.41Å; E75-T270 PolarHBondContact OE2-OG1 2.95Å; N218-T270 PolarHBondContact ND2-OG1 2.72Å; N218-T270 WeakPolarHBondContact OD1-CG2 3.48Å; N218-T270 PolarHBondContact OD1-N 3.45Å; N218-T270 PolarHBondContact OD1-OG1 2.83Å; C219-T270 VanDerWaalsContact O-CG2 3.26Å; C219-T270 WeakPolarHBondContact O-CG2 3.42Å; V220-T270 HydrophobicContact CG2-CG2 4.02Å; T270-C272 PolarHBondContact O-N 3.02Å; T270-S273 PolarHBondContact O-N 3.01Å
271C97.4Very high90.1Very high9 Ų932.5 Ų32.56%0.06118%0.183CC..G310 helixtrans-59.5-27.5-175.4-53.30000113.3F73 V74 E75 A268 L269F73-C271 CarbonylContact C-O 3.42Å; F73-C271 VanDerWaalsContact C-O 3.24Å; F73-C271 VanDerWaalsContact CA-O 3.24Å; F73-C271 WeakPolarHBondContact CA-O 3.17Å; F73-C271 HydrophobicContact CB-CB 4.38Å; F73-C271 HydrophobicContact CD1-CB 3.69Å; F73-C271 HydrophobicContact CE1-CB 4.48Å; F73-C271 HydrophobicContact CG-CB 4.39Å; V74-C271 PolarHBondContact N-O 2.85Å; V74-C271 VanDerWaalsContact N-O 3.14Å; E75-C271 PolarHBondContact N-O 2.92Å; E75-C271 PolarHBondContact OE2-N 3.33Å; A268-C271 PolarHBondContact N-SG 2.83Å; A268-C271 PolarHBondContact O-N 2.82Å; L269-C271 VanDerWaalsContact C-N 3.27Å; L269-C271 PolarHBondContact O-N 3.05Å
272C98.3Very high87.5Confident0 Ų041.1 Ų41.10%023%0.227CC..G310 helixtrans-87-1.4-170.7-60.40000114.3V16 Y47 K262 A268 T270V16-C272 WeakPolarHBondContact CG1-O 3.23Å; Y47-C272 HydrophobicContact CD1-CB 4.25Å; Y47-C272 HydrophobicContact CE1-CB 3.81Å; K262-C272 WeakPolarHBondContact CE-SG 3.48Å; A268-C272 PolarHBondContact O-SG 3.49Å; T270-C272 PolarHBondContact O-N 3.02Å
273S98.6Very high86.9Confident6 Ų643.2 Ų43.24%0.04224%0.239CC..  trans-148.6151.9174.2650000114.5V15 Y47 V74 T270V15-S273 CarbonylContact O-C 3.56Å; V15-S273 VanDerWaalsContact O-CA 3.27Å; V15-S273 WeakPolarHBondContact O-CA 3.4Å; Y47-S273 WeakPolarHBondContact OH-CB 3.5Å; Y47-S273 PolarHBondContact OH-OG 2.87Å; V74-S273 VanDerWaalsContact CG2-CA 3.48Å; T270-S273 PolarHBondContact O-N 3.01Å
274V98.6Very high86.4Confident8 Ų844.2 Ų44.25%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-107115.7162.1174.90000107.7A14 V15 V74 V80 M102 L106 I276A14-V274 CarbonylContact C-O 3.48Å; A14-V274 WeakPolarHBondContact CA-O 3.24Å; V15-V274 HydrophobicContact CB-CB 4.4Å; V15-V274 PolarHBondContact N-O 2.82Å; V15-V274 PolarHBondContact O-N 3.01Å; V74-V274 HydrophobicContact CB-CG2 4.33Å; V74-V274 HydrophobicContact CG2-CG2 4.3Å; V74-V274 WeakPolarHBondContact O-CG2 3.45Å; V80-V274 HydrophobicContact CB-CG1 4.29Å; V80-V274 HydrophobicContact CG2-CG1 3.48Å; V80-V274 VanDerWaalsContact CG2-CG1 3.48Å; M102-V274 HydrophobicContact CE-CG2 3.97Å; M102-V274 HydrophobicContact SD-CG2 4.42Å; L106-V274 HydrophobicContact CD2-CG1 4.46Å; V274-I276 HydrophobicContact CG1-CG1 4.37Å
275L98.1Very high85.8Confident26 Ų2643.9 Ų43.914%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-92.3137.4-176.7-60.6178000111.7Y11 A14 L57 V220 M222Y11-L275 HydrophobicContact CD1-CB 3.56Å; Y11-L275 HydrophobicContact CD2-CB 3.99Å; Y11-L275 HydrophobicContact CD2-CD1 3.73Å; Y11-L275 HydrophobicContact CD2-CG 4.4Å; Y11-L275 HydrophobicContact CE1-CB 3.66Å; Y11-L275 HydrophobicContact CE2-CB 4.07Å; Y11-L275 HydrophobicContact CE2-CD1 3.56Å; Y11-L275 HydrophobicContact CE2-CG 4.46Å; Y11-L275 HydrophobicContact CG-CB 3.72Å; Y11-L275 HydrophobicContact CG-CD1 4.31Å; A14-L275 HydrophobicContact CB-CD2 3.81Å; L57-L275 HydrophobicContact CD1-CD2 4.29Å; V220-L275 HydrophobicContact CG1-CD1 3.57Å; M222-L275 HydrophobicContact CG-CD1 4.33Å; M222-L275 HydrophobicContact SD-CD1 4.45Å
276I96.9Very high85.1Confident0 Ų046.2 Ų46.20%026%0.258CS..EExtended strand (participates in β ladder)trans-134.2133-169-55.9164000111.2T12 H13 V15 V80 L106 L109 L111 V274T12-I276 PolarHBondContact N-O 3.26Å; T12-I276 PolarHBondContact OG1-O 2.77Å; T12-I276 VanDerWaalsContact OG1-O 3.05Å; H13-I276 HydrophobicContact CB-CB 4.25Å; H13-I276 PolarHBondContact N-O 3.03Å; H13-I276 VanDerWaalsContact N-O 3.09Å; H13-I276 PolarHBondContact O-N 3.42Å; V15-I276 HydrophobicContact CG2-CD1 3.79Å; V80-I276 HydrophobicContact CG1-CG1 4.32Å; V80-I276 HydrophobicContact CG2-CG1 4.44Å; L106-I276 HydrophobicContact CD2-CD1 3.5Å; L106-I276 VanDerWaalsContact CD2-CD1 3.5Å; L106-I276 HydrophobicContact CD2-CG1 4.43Å; L109-I276 HydrophobicContact CD1-CD1 3.41Å; L109-I276 VanDerWaalsContact CD1-CD1 3.41Å; L111-I276 HydrophobicContact CD1-CD1 4.19Å; L111-I276 HydrophobicContact CD1-CG1 4.36Å; L111-I276 HydrophobicContact CD1-CG2 4.06Å; L111-I276 HydrophobicContact CD2-CG2 4.16Å; V274-I276 HydrophobicContact CG1-CG1 4.37Å
277S91.6Very high84.4Confident41 Ų4146.5 Ų46.529%0.28726%0.26SS..  trans-103100.3174.8-44.10000109H10 Y11H10-S277 VanDerWaalsContact O-CB 3.3Å; H10-S277 WeakPolarHBondContact O-CB 3.5Å; H10-S277 PolarHBondContact O-OG 3.27Å; Y11-S277 WeakPolarHBondContact CD1-OG 3.42Å
278K81Confident83.7Confident67 Ų6749.3 Ų49.329%0.29128%0.275SS..  trans-84.9132.7169.4-106.6-175.4147.61660109.3T12 L109 N110T12-K278 PolarHBondContact OG1-N 3.17Å; L109-K278 WeakPolarHBondContact O-CE 3.42Å; L109-K278 PolarHBondContact O-NZ 2.95Å; N110-K278 PolarHBondContact OD1-NZ 2.92Å
279N66.8Low82.8Confident93 Ų9352.1 Ų52.150%0.49729%0.288SS..  trans-67.4127.2165.8-90.3-41.4000108.7E83 N281E83-N279 PolarHBondContact OE1-ND2 2.75Å; N279-N281 PolarHBondContact O-N 3.27Å; N279-N281 VanDerWaalsContact O-N 3.07Å
280P52.9Low81.6Confident118 Ų11855.5 Ų55.577%0.76631%0.307SS*.THydrogen-bonded Turntrans-69.8-1.1178.326.2-32.4000114
281N41.1Very low80.2Confident154 Ų15459.1 Ų59.182%0.82433%0.326SS*.THydrogen-bonded Turntrans-104.317.2-174.8-68.1-25000114N279N279-N281 PolarHBondContact O-N 3.27Å; N279-N281 VanDerWaalsContact O-N 3.07Å
282I41.4Very low78.7Confident187 Ų18763.6 Ų63.696%0.95935%0.35SS*.  trans-126.10170-54.6178.5000108.8

Retrieved 282 of 282 residues in 312.1 ms (Link to these results)

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