A0A077ZDD7_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 13

Component of the Mediator complex, a coactivator involved in regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077ZDD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,945 aa.

>A0A077ZDD7_TRITR|A0A077ZDD7
MIFNDVAEDPVLCAYGRCITQGYLCVWRRLPPVHTSNKIDLRLAAEKELWIFWYGDEPDWGLLCTSLTKIEESSWEKGVEYETRTMLFKALHNQIDRVLLNSGYLRFGKWYAHPLEYPRTNAKNARSKHVIAFCFAFFVHGENNVCVTVSVQRHMPIYRLCRRAFANNPRQAVILAPWSISGEVNVDPECSAAELDAQSQECLQEWLKFYAFPDGVSQRGSAASDSLDKEMDGKSGAVGLPKIIDVIVRGVKLKYPTRFVGLTFDEPTSSSDETIRNGLQRTTGDTDQQEAKEDVCMHLSNLRHLICEKVFEGLVANQRCATEPSPSPLPPAAKELPRDNNESDSCTQPTVAASASSPDESVGAWEFLDISQNDPCRCREKVGIFCHLKCFQKKGQTKCRTSLGKHGLFHRRRDSSINPSSLSAEPTDEEPLSDGSYFGCSVGAVGESDATTFKAQCRTGMVEAAPSPVTTCNDFDAVQISHSKVEHTCAISYVNNDYSLHHRQQQQQQQQAKQLNMENALVAPRFSGAELAKVNSRLLAKSQYYWKQDAESKMQIEETEDVVDTPRDVVSDEFYRHLSTCHWYESDNATTIPLAKKRKKIKLAVHLSDVASSCVDPCPFSAGRSDCYVLSEQDKEMVATDEFLLCGQPSSHLVNPTFEEDAHASEGGILNGAKKESVSSGQLGVNDFDSCALISYGDPIPGTNCSDNEDDPLNAFLSPPPSHSQEEDSVQKPTPKAKQQPECNNGVDMQMSSRCTPSGGKQVTAGGGSATTLDHLGVIYPTPPSQEAVHQMSPEMINQGGAPLHCSGQEMDQCCKDEISWTGRSDLIQSGSKRNGQLEAAIAEETIMSKFLLASSFSSLDSSSLRRGVRSLSAQHVYKPSKLLPSFHGSSTMGHLLPTQPYAIGSTSQGCGGPFMSLPLGQQYTSQLASLRGGIGGGGGSFVHSNASVNFESPNKSIISAPASVRSFSEQSPSTLLNPPSVSSPHFVKTPRTPGADLQSPMSNASSAYARNLSSIEPVSCDFGHTCEGHGLVLALLISDTFIDLHRDSIFDSCPLCVCNMNIRGLEMGFYVNPVKKNDQGCMSASSHWTNKCTCGFSAVRHRYLSYMSGVFYEDEDDATGSVWQRLPASQCNAVEFCRDIVELVRHQSLIPDLTCSLMTFRPSLCASIRSTSSDVRKLTFTYNAVEMQDITDLCKQALEQSVAAIDSVGSARQEAVSFSQALINKWGYSISNDMSDSLETMALLRSLLPLLQESLQKPRGLWQAKHSVEGPLTWRQLHRKCSHRPGSNGREDLSGPEPIPQLLVGCDREWISVSPFSVRLWDRLCLEPFAQPKDVVFIAVVPDSHYVVRKARNFFRELSRTYEAMRLGRHCPITRVLKDGIMRVGKTHAKQLNQKPVDSWFDQFESSADLSRTIGIRHCSKLKLYAQVCRHYLAPHIFSPIWNAFDRSVFSESAKDCQQQANPECSSMLPPPAPLANSANNETNGSDYVGSDGRSADHVGGDLLSGETNLFPHVVVIYLVNPFNFESEEKCKDLNRLVTTGLFRCYLEILQDIPAAFRGCMQLQIIPLQSLLDMALLDEWEGGTDTAKGANRRKLSSTSHFRALALSVFMQIRSIGFSCLQPCMPKVLTGFGPLAGRAELFRRKQDFQSFRLFSAPVILMPRIDRASIMSSVNPGELKDDLGQVLFLTYCLSYEQQWLLSTVTDHLGSMLDSCVINMILNDRKNVVQREVIWTALRRLWDFVVGILATSSRPWRIVIGRFGRLGHEELKAWAHLLSKSQLRSTSRLLREQCSVCQPMPSIFETPAILSACLISTELDPSLRIFPDSFVHDDRFGQNAKQCPLSTPDDVTCTHIMVFPTSALIQINQCCIMTGGLPGTEESEGDFESLWKDLMIGSEGDGLESGLNDLFGSITDTSLMNDNSVNFDSTAGHGRVRILYFFCIFVF
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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
1M27.3Very low59.3Low232 Ų23285.7 Ų85.7100%1.14345%0.451SS*.  047.20-69-176.6163.400111.2
2I32.7Very low61.7Low114 Ų11478.8 Ų78.859%0.58541%0.414SS*.  trans-124.3-6.6-167.3-60179.7000115.3N4I2-N4 CarbonylContact C-O 3.54Å; I2-N4 VanDerWaalsContact C-O 3.25Å
3F44Very low63.5Low78 Ų7875.5 Ų75.534%0.34240%0.401SS..SBendtrans-129.719.1-177.3-62.2-75.4000115A44F3-A44 HydrophobicContact CE1-CB 4.43Å
4N39.2Very low65.2Low128 Ų12870.1 Ų70.168%0.68437%0.372SS*.  -73.5132.8118.1-63.5102.9000107.1I2I2-N4 CarbonylContact C-O 3.54Å; I2-N4 VanDerWaalsContact C-O 3.25Å
5D55.7Low66.8Low65 Ų6566.5 Ų66.535%0.34835%0.352SS..  cis-153.6161.62.4-140.9-81.4000114.8A7 E8D5-A7 VanDerWaalsContact OD1-CB 3.29Å; D5-A7 WeakPolarHBondContact OD1-CB 3.42Å; D5-A7 PolarHBondContact OD1-N 2.83Å; D5-E8 HydrophobicContact CB-CB 4.08Å; D5-E8 HydrophobicContact CB-CG 4.19Å
6V66.5Low68Low21 Ų2162.6 Ų62.613%0.12733%0.333CS..SBendtrans-89.3-24.6170.8-176.40000110.5F209 V1033 L1036V6-F209 HydrophobicContact CG1-CE2 4.35Å; V6-F209 HydrophobicContact CG1-CZ 4.34Å; V6-V1033 HydrophobicContact CG2-CG2 3.96Å; V6-L1036 HydrophobicContact CG1-CD1 3.81Å
7A64.5Low69Low49 Ų4965.2 Ų65.241%0.40534%0.337SS..SBendtrans-81.3-25.2175.800000113.8D5D5-A7 VanDerWaalsContact OD1-CB 3.29Å; D5-A7 WeakPolarHBondContact OD1-CB 3.42Å; D5-A7 PolarHBondContact OD1-N 2.83Å
8E69.1Low69.9Low165 Ų16561.6 Ų61.677%0.77132%0.318SS*.SBendtrans-94.2-11179-65.9-153.6113.200114.2D5 P10D5-E8 HydrophobicContact CB-CB 4.08Å; D5-E8 HydrophobicContact CB-CG 4.19Å; E8-P10 VanDerWaalsContact O-CD 3.25Å; E8-P10 WeakPolarHBondContact O-CD 3.47Å; E8-P10 VanDerWaalsContact O-N 3.16Å
9D81.1Confident70.7Confident27 Ų2758.6 Ų58.614%0.14430%0.303CS..  trans-65.9115.1171.9-175-64.8000109.9V11 L12 C13 K47D9-V11 VanDerWaalsContact C-N 3.3Å; D9-V11 PolarHBondContact O-N 2.92Å; D9-V11 WeakPolarHBondContact OD1-CA 3.45Å; D9-V11 WeakPolarHBondContact OD1-CB 3.41Å; D9-V11 PolarHBondContact OD1-N 3.33Å; D9-L12 HydrophobicContact CB-CB 4.12Å; D9-L12 HydrophobicContact CB-CD1 4.1Å; D9-L12 HydrophobicContact CB-CG 4.24Å; D9-L12 PolarHBondContact O-N 3.27Å; D9-L12 PolarHBondContact OD1-N 2.77Å; D9-C13 WeakPolarHBondContact O-CB 3.08Å; D9-C13 PolarHBondContact O-N 3.41Å; D9-K47 VanDerWaalsContact OD2-CE 3.26Å; D9-K47 WeakPolarHBondContact OD2-CE 3.13Å; D9-K47 IonicContact OD2-NZ 3.38Å; D9-K47 PolarHBondContact OD2-NZ 3.28Å
10P84.3Confident71.1Confident51 Ų5159 Ų5933%0.33131%0.308SS..Hα-helixtrans-67.5-31-171.826.4-34.1000112.6E8 A14 S66E8-P10 VanDerWaalsContact O-CD 3.25Å; E8-P10 WeakPolarHBondContact O-CD 3.47Å; E8-P10 VanDerWaalsContact O-N 3.16Å; P10-A14 WeakPolarHBondContact O-CB 3.48Å; P10-A14 PolarHBondContact O-N 3.37Å; P10-S66 VanDerWaalsContact CB-OG 3.3Å; P10-S66 WeakPolarHBondContact CB-OG 3.38Å
11V88Confident71.5Confident13 Ų1358.8 Ų58.88%0.07931%0.305CS..Hα-helixtrans-74.8-46.8-179.9170.60000110.4D9 A14 Y15 W27 K47 L49 L67D9-V11 VanDerWaalsContact C-N 3.3Å; D9-V11 PolarHBondContact O-N 2.92Å; D9-V11 WeakPolarHBondContact OD1-CA 3.45Å; D9-V11 WeakPolarHBondContact OD1-CB 3.41Å; D9-V11 PolarHBondContact OD1-N 3.33Å; V11-A14 PolarHBondContact O-N 3.1Å; V11-Y15 VanDerWaalsContact O-CB 3.32Å; V11-Y15 WeakPolarHBondContact O-CB 3.5Å; V11-Y15 PolarHBondContact O-N 3.19Å; V11-W27 HydrophobicContact CG1-CB 4.09Å; V11-K47 HydrophobicContact CB-CB 4.05Å; V11-K47 HydrophobicContact CB-CD 4.49Å; V11-K47 HydrophobicContact CG1-CB 3.82Å; V11-K47 HydrophobicContact CG1-CD 4.43Å; V11-K47 HydrophobicContact CG2-CB 4.07Å; V11-L49 HydrophobicContact CG1-CB 4.19Å; V11-L67 HydrophobicContact CG2-CD2 3.75Å
12L87.8Confident73.9Confident2 Ų248.4 Ų48.41%0.0126%0.258CS..Hα-helixtrans-68.1-38178.5-63.8176.7000111.8D9 Y15 G16 W27 L43 K47 F209D9-L12 HydrophobicContact CB-CB 4.12Å; D9-L12 HydrophobicContact CB-CD1 4.1Å; D9-L12 HydrophobicContact CB-CG 4.24Å; D9-L12 PolarHBondContact O-N 3.27Å; D9-L12 PolarHBondContact OD1-N 2.77Å; L12-Y15 PolarHBondContact O-N 3.4Å; L12-G16 PolarHBondContact O-N 2.96Å; L12-W27 HydrophobicContact CD2-CD2 3.7Å; L12-W27 HydrophobicContact CD2-CE3 4.03Å; L12-W27 HydrophobicContact CD2-CG 4.09Å; L12-W27 HydrophobicContact CD2-CH2 4.35Å; L12-W27 HydrophobicContact CD2-CZ2 4.04Å; L12-W27 HydrophobicContact CD2-CZ3 4.34Å; L12-L43 HydrophobicContact CD1-CD2 3.87Å; L12-K47 HydrophobicContact CD2-CD 4.48Å; L12-K47 HydrophobicContact CG-CD 4.33Å; L12-F209 HydrophobicContact CB-CE1 4.32Å; L12-F209 HydrophobicContact CB-CZ 4.4Å; L12-F209 WeakPolarHBondContact O-CE1 3.41Å
13C85.8Confident76.2Confident36 Ų3644.7 Ų44.724%0.24324%0.237CC..Hα-helixtrans-64.1-44.8175.1-169.10000111.4D9 G16 R17D9-C13 WeakPolarHBondContact O-CB 3.08Å; D9-C13 PolarHBondContact O-N 3.41Å; C13-G16 PolarHBondContact O-N 2.93Å; C13-R17 WeakPolarHBondContact O-CG 2.92Å; C13-R17 PolarHBondContact O-N 2.84Å
14A87.5Confident78.3Confident0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-62.6-42.5173.600000112P10 V11 G16 R17 C18 L49 C64 L67P10-A14 WeakPolarHBondContact O-CB 3.48Å; P10-A14 PolarHBondContact O-N 3.37Å; V11-A14 PolarHBondContact O-N 3.1Å; A14-G16 PolarHBondContact O-N 3.15Å; A14-R17 PolarHBondContact O-N 2.74Å; A14-C18 PolarHBondContact O-N 3.42Å; A14-C18 PolarHBondContact O-SG 3.11Å; A14-L49 HydrophobicContact CB-CD2 3.69Å; A14-C64 HydrophobicContact CB-CB 3.82Å; A14-L67 HydrophobicContact CB-CD1 3.51Å; A14-L67 HydrophobicContact CB-CG 4.35Å
15Y88.9Confident80.7Confident16 Ų1636.6 Ų36.66%0.06320%0.197CC..Hα-helixtrans-57.6-48.4175173.1-108.3000111.8V11 L12 R17 C18 I19 C25 W27 L49 N93 F209V11-Y15 VanDerWaalsContact O-CB 3.32Å; V11-Y15 WeakPolarHBondContact O-CB 3.5Å; V11-Y15 PolarHBondContact O-N 3.19Å; L12-Y15 PolarHBondContact O-N 3.4Å; Y15-R17 VanDerWaalsContact C-N 3.32Å; Y15-R17 PolarHBondContact O-N 3.44Å; Y15-C18 WeakPolarHBondContact O-CB 3.47Å; Y15-C18 PolarHBondContact O-N 3.2Å; Y15-C18 VanDerWaalsContact O-N 3.16Å; Y15-I19 HydrophobicContact CD2-CG1 4.21Å; Y15-I19 HydrophobicContact CE1-CG1 4.07Å; Y15-I19 HydrophobicContact CE2-CD1 3.84Å; Y15-I19 HydrophobicContact CE2-CG1 3.74Å; Y15-I19 WeakPolarHBondContact O-CG1 3.33Å; Y15-I19 PolarHBondContact O-N 2.66Å; Y15-C25 HydrophobicContact CD2-CB 4.46Å; Y15-C25 VanDerWaalsContact CD2-SG 3.57Å; Y15-W27 AromaticContact CD1-CD1 3.63Å; Y15-W27 HydrophobicContact CD2-CB 4.37Å; Y15-W27 AromaticContact CD2-CD1 3.85Å; Y15-W27 AromaticContact CE1-CD1 3.75Å; Y15-W27 AromaticContact CE2-CD1 3.96Å; Y15-W27 HydrophobicContact CG-CB 4.39Å; Y15-W27 AromaticContact CG-CD1 3.69Å; Y15-W27 HydrophobicContact CG-CG 4.34Å; Y15-W27 AromaticContact CZ-CD1 3.91Å; Y15-L49 HydrophobicContact CD2-CD1 4.13Å; Y15-N93 PolarHBondContact OH-ND2 2.73Å; Y15-F209 AromaticContact CD1-CD1 3.79Å; Y15-F209 HydrophobicContact CD1-CD1 3.79Å; Y15-F209 HydrophobicContact CD1-CE1 4.05Å; Y15-F209 HydrophobicContact CE1-CD1 4.01Å
16G86.4Confident82.4Confident5 Ų533.5 Ų33.55%0.05218%0.181CC..Hα-helixtrans-60.8-38.7176.500000113L12 C13 A14 I19 T20 K208L12-G16 PolarHBondContact O-N 2.96Å; C13-G16 PolarHBondContact O-N 2.93Å; A14-G16 PolarHBondContact O-N 3.15Å; G16-I19 PolarHBondContact O-N 3.29Å; G16-T20 WeakPolarHBondContact O-CB 3.21Å; G16-T20 WeakPolarHBondContact O-CG2 3.47Å; G16-T20 PolarHBondContact O-N 2.71Å; G16-T20 PolarHBondContact O-OG1 3.35Å; G16-K208 CarbonylContact C-O 3.56Å; G16-K208 WeakPolarHBondContact CA-O 3.47Å; G16-K208 VanDerWaalsContact O-O 3.13Å
17R85Confident83.5Confident107 Ų10732.6 Ų32.640%0.40418%0.175SC..Hα-helixtrans-65.4-42.1173-71.1171.8-178.7-171.32.5112.3C13 A14 Y15 I19 T20 Q21 L63C13-R17 WeakPolarHBondContact O-CG 2.92Å; C13-R17 PolarHBondContact O-N 2.84Å; A14-R17 PolarHBondContact O-N 2.74Å; Y15-R17 VanDerWaalsContact C-N 3.32Å; Y15-R17 PolarHBondContact O-N 3.44Å; R17-I19 PolarHBondContact O-N 2.72Å; R17-T20 WeakPolarHBondContact CA-OG1 3.31Å; R17-T20 PolarHBondContact O-N 3.25Å; R17-T20 PolarHBondContact O-OG1 2.92Å; R17-Q21 WeakPolarHBondContact O-CB 3.31Å; R17-Q21 VanDerWaalsContact O-CG 3.3Å; R17-Q21 WeakPolarHBondContact O-CG 3.44Å; R17-Q21 PolarHBondContact O-N 3.32Å; R17-L63 WeakPolarHBondContact CD-O 3.47Å; R17-L63 PolarHBondContact NH1-O 2.98Å
18C85.5Confident84.5Confident0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-59.3-47.1174.8-71.10000111.5A14 Y15 Q21 G22 Y23 C25 L63A14-C18 PolarHBondContact O-N 3.42Å; A14-C18 PolarHBondContact O-SG 3.11Å; Y15-C18 WeakPolarHBondContact O-CB 3.47Å; Y15-C18 PolarHBondContact O-N 3.2Å; Y15-C18 VanDerWaalsContact O-N 3.16Å; C18-Q21 CarbonylContact O-C 3.25Å; C18-Q21 PolarHBondContact O-N 3.48Å; C18-G22 PolarHBondContact O-N 3.26Å; C18-Y23 PolarHBondContact O-N 2.88Å; C18-C25 HydrophobicContact CB-CB 3.79Å; C18-C25 WeakPolarHBondContact CB-SG 3.39Å; C18-L63 WeakPolarHBondContact SG-CD2 3.49Å
19I83.6Confident85.1Confident4 Ų423.4 Ų23.42%0.02112%0.123CC..Hα-helixtrans-63.4-46.6179.7-67.8-67.6000111.6Y15 G16 R17 Q21 G22 N93 R97Y15-I19 HydrophobicContact CD2-CG1 4.21Å; Y15-I19 HydrophobicContact CE1-CG1 4.07Å; Y15-I19 HydrophobicContact CE2-CD1 3.84Å; Y15-I19 HydrophobicContact CE2-CG1 3.74Å; Y15-I19 WeakPolarHBondContact O-CG1 3.33Å; Y15-I19 PolarHBondContact O-N 2.66Å; G16-I19 PolarHBondContact O-N 3.29Å; R17-I19 PolarHBondContact O-N 2.72Å; I19-Q21 VanDerWaalsContact C-N 3.32Å; I19-Q21 PolarHBondContact O-N 3.18Å; I19-G22 PolarHBondContact O-N 3.31Å; I19-G22 VanDerWaalsContact O-N 3.07Å; I19-N93 HydrophobicContact CD1-CB 4.12Å; I19-R97 PolarHBondContact O-NH1 3.02Å
20T80.1Confident84.8Confident66 Ų6625.5 Ų25.541%0.40513%0.133SC..Hα-helixtrans-63.8-38.6178.4490000111.6G16 R17 G22 A211G16-T20 WeakPolarHBondContact O-CB 3.21Å; G16-T20 WeakPolarHBondContact O-CG2 3.47Å; G16-T20 PolarHBondContact O-N 2.71Å; G16-T20 PolarHBondContact O-OG1 3.35Å; R17-T20 WeakPolarHBondContact CA-OG1 3.31Å; R17-T20 PolarHBondContact O-N 3.25Å; R17-T20 PolarHBondContact O-OG1 2.92Å; T20-G22 VanDerWaalsContact C-N 3.3Å; T20-G22 PolarHBondContact O-N 2.94Å; T20-A211 HydrophobicContact CG2-CB 4.39Å
21Q78.9Confident83.9Confident55 Ų5525 Ų2526%0.25713%0.13SC..Hα-helixtrans-77-13.6173.9-66.1-168.418.600113.5R17 C18 I19 Y23 R1260R17-Q21 WeakPolarHBondContact O-CB 3.31Å; R17-Q21 VanDerWaalsContact O-CG 3.3Å; R17-Q21 WeakPolarHBondContact O-CG 3.44Å; R17-Q21 PolarHBondContact O-N 3.32Å; C18-Q21 CarbonylContact O-C 3.25Å; C18-Q21 PolarHBondContact O-N 3.48Å; I19-Q21 VanDerWaalsContact C-N 3.32Å; I19-Q21 PolarHBondContact O-N 3.18Å; Q21-Y23 HydrophobicContact CB-CD2 3.88Å; Q21-Y23 HydrophobicContact CB-CE2 3.99Å; Q21-R1260 PolarHBondContact O-NH2 3.23Å
22G77.4Confident82.4Confident14 Ų1427.3 Ų27.314%0.14415%0.145CC..THydrogen-bonded Turntrans8026.9177.600000115.4C18 I19 T20 Q94C18-G22 PolarHBondContact O-N 3.26Å; I19-G22 PolarHBondContact O-N 3.31Å; I19-G22 VanDerWaalsContact O-N 3.07Å; T20-G22 VanDerWaalsContact C-N 3.3Å; T20-G22 PolarHBondContact O-N 2.94Å; G22-Q94 PolarHBondContact O-NE2 2.77Å
23Y81.5Confident80.8Confident37 Ų3733 Ų3315%0.14518%0.18CC..  trans-73.7146.3166.9-71.6-70.8000110.7C18 Q21 C25 P58 L63 R1260C18-Y23 PolarHBondContact O-N 2.88Å; Q21-Y23 HydrophobicContact CB-CD2 3.88Å; Q21-Y23 HydrophobicContact CB-CE2 3.99Å; Y23-C25 PolarHBondContact O-N 3.47Å; Y23-P58 HydrophobicContact CD1-CB 4.27Å; Y23-P58 HydrophobicContact CE1-CB 3.6Å; Y23-L63 HydrophobicContact CD2-CD2 3.84Å; Y23-L63 HydrophobicContact CE2-CD2 3.83Å; Y23-R1260 PolarHBondContact OH-NH1 2.9Å
24L87.3Confident79Confident34 Ų3438.3 Ų38.318%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-72.3109.4169.4-78.6154.2000108.1I51 F52 A90 L91 Q94L24-I51 WeakPolarHBondContact O-CA 3.48Å; L24-F52 HydrophobicContact CB-CB 3.91Å; L24-F52 PolarHBondContact O-N 3.08Å; L24-A90 HydrophobicContact CB-CB 4.39Å; L24-A90 HydrophobicContact CD2-CB 4.41Å; L24-L91 HydrophobicContact CD2-CD2 3.81Å; L24-L91 HydrophobicContact CD2-CG 4.23Å; L24-Q94 HydrophobicContact CD2-CB 3.99Å; L24-Q94 HydrophobicContact CD2-CG 4.42Å
25C89.5Confident77Confident1 Ų145.3 Ų45.31%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-143.6156.3-178.165.30000113Y15 C18 Y23 L49 W50 I51 N93Y15-C25 HydrophobicContact CD2-CB 4.46Å; Y15-C25 VanDerWaalsContact CD2-SG 3.57Å; C18-C25 HydrophobicContact CB-CB 3.79Å; C18-C25 WeakPolarHBondContact CB-SG 3.39Å; Y23-C25 PolarHBondContact O-N 3.47Å; C25-L49 HydrophobicContact CB-CD1 4.38Å; C25-W50 CarbonylContact C-O 3.6Å; C25-W50 WeakPolarHBondContact CA-O 3.44Å; C25-W50 WeakPolarHBondContact CB-O 3.5Å; C25-I51 HydrophobicContact CB-CG1 4.5Å; C25-N93 PolarHBondContact O-ND2 3.43Å
26V91.7Very high75.1Confident1 Ų147.6 Ų47.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-148.1141.8172.2630000109.2W50 F52 M86 K89 A90 T1041V26-W50 HydrophobicContact CG1-CB 3.64Å; V26-W50 HydrophobicContact CG1-CG 4.26Å; V26-W50 PolarHBondContact N-O 2.94Å; V26-W50 PolarHBondContact O-N 2.98Å; V26-F52 HydrophobicContact CG1-CE2 4.19Å; V26-M86 HydrophobicContact CG1-CB 3.98Å; V26-M86 HydrophobicContact CG1-SD 4.24Å; V26-K89 HydrophobicContact CB-CG 4.18Å; V26-K89 HydrophobicContact CG2-CB 4.03Å; V26-K89 HydrophobicContact CG2-CG 3.34Å; V26-A90 HydrophobicContact CB-CB 4.37Å; V26-A90 HydrophobicContact CG1-CB 4.46Å; V26-T1041 HydrophobicContact CG2-CG2 3.17Å
27W90.1Very high73.4Confident1 Ų151.5 Ų51.50%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-109.9156.717274.8-84.6000109.5V11 L12 Y15 R29 K47 E48 L49 L1036 D1040V11-W27 HydrophobicContact CG1-CB 4.09Å; L12-W27 HydrophobicContact CD2-CD2 3.7Å; L12-W27 HydrophobicContact CD2-CE3 4.03Å; L12-W27 HydrophobicContact CD2-CG 4.09Å; L12-W27 HydrophobicContact CD2-CH2 4.35Å; L12-W27 HydrophobicContact CD2-CZ2 4.04Å; L12-W27 HydrophobicContact CD2-CZ3 4.34Å; Y15-W27 AromaticContact CD1-CD1 3.63Å; Y15-W27 HydrophobicContact CD2-CB 4.37Å; Y15-W27 AromaticContact CD2-CD1 3.85Å; Y15-W27 AromaticContact CE1-CD1 3.75Å; Y15-W27 AromaticContact CE2-CD1 3.96Å; Y15-W27 HydrophobicContact CG-CB 4.39Å; Y15-W27 AromaticContact CG-CD1 3.69Å; Y15-W27 HydrophobicContact CG-CG 4.34Å; Y15-W27 AromaticContact CZ-CD1 3.91Å; W27-R29 HydrophobicContact CZ3-CG 4.15Å; W27-K47 HydrophobicContact CE3-CD 3.88Å; W27-K47 HydrophobicContact CE3-CG 4.2Å; W27-K47 HydrophobicContact CZ3-CD 3.82Å; W27-K47 HydrophobicContact CZ3-CG 4.17Å; W27-E48 WeakPolarHBondContact CA-O 3.36Å; W27-L49 HydrophobicContact CB-CD1 4.25Å; W27-L1036 WeakPolarHBondContact CZ2-O 3.5Å; W27-D1040 HydrophobicContact CH2-CB 3.72Å; W27-D1040 HydrophobicContact CZ2-CB 3.95Å; W27-D1040 HydrophobicContact CZ3-CB 4.29Å
28R85.2Confident71.9Confident17 Ų1753.8 Ų53.86%0.06430%0.295CS..EExtended strand (participates in β ladder)trans-149.3171.6166.670.7167.2-172.6-154.7-8.5112.8K47 E48 E82 D1040 T1041R28-K47 CarbonylContact O-C 3.51Å; R28-K47 WeakPolarHBondContact O-CA 3.48Å; R28-K47 VanDerWaalsContact O-CB 3.23Å; R28-K47 WeakPolarHBondContact O-CB 3.34Å; R28-E48 HydrophobicContact CG-CG 3.44Å; R28-E48 VanDerWaalsContact CG-CG 3.44Å; R28-E48 WeakPolarHBondContact CG-OE2 3.3Å; R28-E48 IonicContact CZ-OE1 3.35Å; R28-E48 VanDerWaalsContact CZ-OE1 3.31Å; R28-E48 IonicContact CZ-OE2 2.85Å; R28-E48 PolarHBondContact N-O 3.26Å; R28-E48 IonicContact NE-OE1 3.82Å; R28-E48 PolarHBondContact NE-OE1 3.11Å; R28-E48 VanDerWaalsContact NE-OE1 3.09Å; R28-E48 IonicContact NE-OE2 2.64Å; R28-E48 PolarHBondContact NE-OE2 2.91Å; R28-E48 IonicContact NH2-OE1 2.69Å; R28-E48 PolarHBondContact NH2-OE1 3.15Å; R28-E48 IonicContact NH2-OE2 3.09Å; R28-E48 PolarHBondContact NH2-OE2 2.79Å; R28-E48 PolarHBondContact O-N 2.83Å; R28-E82 IonicContact CZ-OE1 3.19Å; R28-E82 IonicContact NH1-OE1 3.66Å; R28-E82 PolarHBondContact NH1-OE1 3.37Å; R28-E82 IonicContact NH2-OE1 2.88Å; R28-E82 PolarHBondContact NH2-OE1 3.04Å; R28-D1040 VanDerWaalsContact CA-OD1 3.23Å; R28-D1040 WeakPolarHBondContact CA-OD1 3.23Å; R28-D1040 WeakPolarHBondContact CB-OD1 3.33Å; R28-T1041 HydrophobicContact CB-CG2 4.18Å; R28-T1041 WeakPolarHBondContact CB-OG1 3.5Å
29R82.1Confident70.6Confident5 Ų555.3 Ų55.32%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-77.6152.7164.2-70.1173-82.8-113.61.9109.9W27 A45 E46 K47 L1037 D1040 F1042W27-R29 HydrophobicContact CZ3-CG 4.15Å; R29-A45 HydrophobicContact CG-CB 4.18Å; R29-E46 CarbonylContact C-O 3.56Å; R29-E46 WeakPolarHBondContact CA-O 3.13Å; R29-K47 HydrophobicContact CG-CG 4.27Å; R29-L1037 VanDerWaalsContact NH1-CD2 3.27Å; R29-L1037 PolarHBondContact NH2-O 3.47Å; R29-D1040 IonicContact CZ-OD2 3.37Å; R29-D1040 IonicContact NE-OD2 2.78Å; R29-D1040 PolarHBondContact NE-OD2 3.3Å; R29-D1040 IonicContact NH1-OD2 3.18Å; R29-D1040 VanDerWaalsContact NH2-CB 3.3Å; R29-D1040 IonicContact NH2-OD2 2.77Å; R29-D1040 PolarHBondContact NH2-OD2 2.97Å; R29-F1042 HydrophobicContact CB-CD2 3.91Å; R29-F1042 HydrophobicContact CB-CE2 3.64Å; R29-F1042 WeakPolarHBondContact O-CE2 3.44Å
30L75.2Confident69.7Low70 Ų7058.2 Ų58.237%0.36632%0.318SS..PPolyproline II helixtrans-76134170.9-88.9156.3000109.6E46 E48L30-E46 HydrophobicContact CB-CB 4.29Å; L30-E46 HydrophobicContact CD1-CB 3.78Å; L30-E46 PolarHBondContact N-O 3.38Å; L30-E48 WeakPolarHBondContact CD2-OE2 3.17Å
31P64.2Low69Low41 Ų4155.6 Ų55.627%0.26630%0.301SS..PPolyproline II helixtrans-60.6137.1174.3-14.825000110.5V33 F1042 F1070P31-V33 PolarHBondContact O-N 3.36Å; P31-V33 VanDerWaalsContact O-N 3.15Å; P31-F1042 HydrophobicContact CB-CZ 4.19Å; P31-F1042 HydrophobicContact CG-CZ 3.95Å; P31-F1070 HydrophobicContact CB-CD1 4.1Å; P31-F1070 HydrophobicContact CB-CE1 3.8Å
32P57Low68.6Low61 Ų6158.3 Ų58.340%0.39631%0.309SS..PPolyproline II helixtrans-61.9119.8176.422.8-31.4000110.3H34 F1070P32-H34 VanDerWaalsContact C-N 3.31Å; P32-H34 PolarHBondContact O-N 3.22Å; P32-F1070 HydrophobicContact CG-CD1 4.48Å; P32-F1070 HydrophobicContact CG-CE1 4.15Å
33V53.6Low68.3Low122 Ų12258.9 Ų58.974%0.73931%0.309SS*.SBendtrans-69.5-27.4-172.1-168.20000111.9P31P31-V33 PolarHBondContact O-N 3.36Å; P31-V33 VanDerWaalsContact O-N 3.15Å
34H47.6Very low67.8Low148 Ų14860 Ų6069%0.68533%0.326SS*.SBendtrans-146.7130.8-177.9-62.2-57.3000114.2P32 S36P32-H34 VanDerWaalsContact C-N 3.31Å; P32-H34 PolarHBondContact O-N 3.22Å; H34-S36 PolarHBondContact O-N 3.16Å
35T46.2Very low67.2Low147 Ų14759.3 Ų59.390%0.90233%0.325SS*.SBendtrans69.35.5152.564.90000123.1
36S50.2Low66.8Low64 Ų6466.6 Ų66.645%0.44836%0.359SS..  trans-120.5106.2173164.20000111.8H34 K38H34-S36 PolarHBondContact O-N 3.16Å; S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 PolarHBondContact OG-N 3.37Å; S36-K38 PolarHBondContact OG-O 3.42Å
37N50.7Low66.5Low87 Ų8767.9 Ų67.947%0.46536%0.364SS..  trans-66.57.8171.6-74-8.7000113.8
38K52.4Low66.4Low155 Ų15568.9 Ų68.967%0.67437%0.369SS*.SBendtrans-104.1122.7175-74.4-174177.1-177.60109.7S36 D40S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 PolarHBondContact OG-N 3.37Å; S36-K38 PolarHBondContact OG-O 3.42Å; K38-D40 PolarHBondContact O-N 3.03Å
39I57.6Low66.6Low32 Ų3269.7 Ų69.716%0.16438%0.375CS..  trans-67.5123.9173.6-55.4158.1000108.4L41 F1070I39-L41 HydrophobicContact CG2-CD2 3.84Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; I39-L41 PolarHBondContact O-N 3.25Å; I39-F1070 WeakPolarHBondContact CD1-O 3.4Å; I39-F1070 WeakPolarHBondContact CG1-O 3.14Å
40D64.5Low67Low65 Ų6571.4 Ų71.435%0.34838%0.381SS..  trans-77.899170.1-170.1-3.6000109.2K38 R42K38-D40 PolarHBondContact O-N 3.03Å; D40-R42 PolarHBondContact O-N 3.45Å; D40-R42 VanDerWaalsContact OD1-CB 3.28Å; D40-R42 WeakPolarHBondContact OD1-CB 3.22Å; D40-R42 VanDerWaalsContact OD1-CG 3.22Å; D40-R42 WeakPolarHBondContact OD1-CG 3.43Å; D40-R42 IonicContact OD1-CZ 2.71Å; D40-R42 PolarHBondContact OD1-N 3.37Å; D40-R42 VanDerWaalsContact OD1-N 3.14Å; D40-R42 IonicContact OD1-NE 3.99Å; D40-R42 PolarHBondContact OD1-NE 3.05Å; D40-R42 IonicContact OD1-NH2 2.68Å; D40-R42 IonicContact OD2-CZ 3.88Å; D40-R42 IonicContact OD2-NE 3.22Å; D40-R42 PolarHBondContact OD2-NE 3.49Å; D40-R42 IonicContact OD2-NH2 3.06Å; D40-R42 PolarHBondContact OD2-NH2 3.28Å
41L66.3Low67.6Low10 Ų1069.1 Ų69.15%0.05237%0.369CS..  trans-80.68.3-179.7-69.8172.6000113.4I39 L1037 I1043 Q1197 Q1201I39-L41 HydrophobicContact CG2-CD2 3.84Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; I39-L41 PolarHBondContact O-N 3.25Å; L41-L1037 WeakPolarHBondContact O-CD2 3.06Å; L41-I1043 HydrophobicContact CD2-CD1 3.91Å; L41-Q1197 HydrophobicContact CD1-CB 3.39Å; L41-Q1197 HydrophobicContact CD1-CG 4.16Å; L41-Q1197 VanDerWaalsContact CD1-OE1 3.26Å; L41-Q1201 HydrophobicContact CB-CG 4.31Å
42R70.7Confident68.7Low112 Ų11268.8 Ų68.842%0.42336%0.363SS..  trans-72142.4175.4-65178.7-60.5153.54110.4D40 A44 A45D40-R42 PolarHBondContact O-N 3.45Å; D40-R42 VanDerWaalsContact OD1-CB 3.28Å; D40-R42 WeakPolarHBondContact OD1-CB 3.22Å; D40-R42 VanDerWaalsContact OD1-CG 3.22Å; D40-R42 WeakPolarHBondContact OD1-CG 3.43Å; D40-R42 IonicContact OD1-CZ 2.71Å; D40-R42 PolarHBondContact OD1-N 3.37Å; D40-R42 VanDerWaalsContact OD1-N 3.14Å; D40-R42 IonicContact OD1-NE 3.99Å; D40-R42 PolarHBondContact OD1-NE 3.05Å; D40-R42 IonicContact OD1-NH2 2.68Å; D40-R42 IonicContact OD2-CZ 3.88Å; D40-R42 IonicContact OD2-NE 3.22Å; D40-R42 PolarHBondContact OD2-NE 3.49Å; D40-R42 IonicContact OD2-NH2 3.06Å; D40-R42 PolarHBondContact OD2-NH2 3.28Å; R42-A44 PolarHBondContact O-N 3.27Å; R42-A45 PolarHBondContact O-N 3.14Å
43L71.7Confident69.8Low26 Ų2670.2 Ų70.214%0.13636%0.361CS..THydrogen-bonded Turntrans-61.8-19.3169.6-80.7168.6000112.5L12 A45 K47 V1033 L1037L12-L43 HydrophobicContact CD1-CD2 3.87Å; L43-A45 PolarHBondContact O-N 2.79Å; L43-K47 WeakPolarHBondContact O-CE 3.37Å; L43-K47 PolarHBondContact O-NZ 2.9Å; L43-V1033 HydrophobicContact CD1-CB 4.21Å; L43-V1033 HydrophobicContact CD1-CG1 3.59Å; L43-V1033 HydrophobicContact CD1-CG2 3.89Å; L43-L1037 HydrophobicContact CD2-CD2 4.12Å; L43-L1037 HydrophobicContact CG-CD2 3.89Å; L43-L1037 HydrophobicContact CG-CG 4.42Å
44A69.8Low70.7Confident61 Ų6172.5 Ų72.550%0.50436%0.358SS..THydrogen-bonded Turntrans-75.9-3.1178.800000114.4F3 R42F3-A44 HydrophobicContact CE1-CB 4.43Å; R42-A44 PolarHBondContact O-N 3.27Å
45A75.8Confident71.9Confident19 Ų1968.6 Ų68.616%0.15736%0.357CS..SBendtrans-64.5154.5176.700000111.9R29 R42 L43 K47R29-A45 HydrophobicContact CG-CB 4.18Å; R42-A45 PolarHBondContact O-N 3.14Å; L43-A45 PolarHBondContact O-N 2.79Å; A45-K47 PolarHBondContact O-NZ 3.45Å
46E80Confident73Confident154 Ų15467.7 Ų67.772%0.7235%0.347SS*.  trans-62.1141.7172.1-66.4-175164.200110.2R29 L30R29-E46 CarbonylContact C-O 3.56Å; R29-E46 WeakPolarHBondContact CA-O 3.13Å; L30-E46 HydrophobicContact CB-CB 4.29Å; L30-E46 HydrophobicContact CD1-CB 3.78Å; L30-E46 PolarHBondContact N-O 3.38Å
47K85.9Confident74.2Confident28 Ų2869.5 Ų69.512%0.12235%0.348CS..EExtended strand (participates in β ladder)trans-135158.1-173.8-65.7172.1-144.669.10110.8D9 V11 L12 W27 R28 R29 L43 A45D9-K47 VanDerWaalsContact OD2-CE 3.26Å; D9-K47 WeakPolarHBondContact OD2-CE 3.13Å; D9-K47 IonicContact OD2-NZ 3.38Å; D9-K47 PolarHBondContact OD2-NZ 3.28Å; V11-K47 HydrophobicContact CB-CB 4.05Å; V11-K47 HydrophobicContact CB-CD 4.49Å; V11-K47 HydrophobicContact CG1-CB 3.82Å; V11-K47 HydrophobicContact CG1-CD 4.43Å; V11-K47 HydrophobicContact CG2-CB 4.07Å; L12-K47 HydrophobicContact CD2-CD 4.48Å; L12-K47 HydrophobicContact CG-CD 4.33Å; W27-K47 HydrophobicContact CE3-CD 3.88Å; W27-K47 HydrophobicContact CE3-CG 4.2Å; W27-K47 HydrophobicContact CZ3-CD 3.82Å; W27-K47 HydrophobicContact CZ3-CG 4.17Å; R28-K47 CarbonylContact O-C 3.51Å; R28-K47 WeakPolarHBondContact O-CA 3.48Å; R28-K47 VanDerWaalsContact O-CB 3.23Å; R28-K47 WeakPolarHBondContact O-CB 3.34Å; R29-K47 HydrophobicContact CG-CG 4.27Å; L43-K47 WeakPolarHBondContact O-CE 3.37Å; L43-K47 PolarHBondContact O-NZ 2.9Å; A45-K47 PolarHBondContact O-NZ 3.45Å
48E88Confident75.3Confident23 Ų2365.6 Ų65.611%0.10733%0.328CS..EExtended strand (participates in β ladder)trans-128.2154.8173.566.1-158.5-92.500110W27 R28 L30 W50W27-E48 WeakPolarHBondContact CA-O 3.36Å; R28-E48 HydrophobicContact CG-CG 3.44Å; R28-E48 VanDerWaalsContact CG-CG 3.44Å; R28-E48 WeakPolarHBondContact CG-OE2 3.3Å; R28-E48 IonicContact CZ-OE1 3.35Å; R28-E48 VanDerWaalsContact CZ-OE1 3.31Å; R28-E48 IonicContact CZ-OE2 2.85Å; R28-E48 PolarHBondContact N-O 3.26Å; R28-E48 IonicContact NE-OE1 3.82Å; R28-E48 PolarHBondContact NE-OE1 3.11Å; R28-E48 VanDerWaalsContact NE-OE1 3.09Å; R28-E48 IonicContact NE-OE2 2.64Å; R28-E48 PolarHBondContact NE-OE2 2.91Å; R28-E48 IonicContact NH2-OE1 2.69Å; R28-E48 PolarHBondContact NH2-OE1 3.15Å; R28-E48 IonicContact NH2-OE2 3.09Å; R28-E48 PolarHBondContact NH2-OE2 2.79Å; R28-E48 PolarHBondContact O-N 2.83Å; L30-E48 WeakPolarHBondContact CD2-OE2 3.17Å; E48-W50 PolarHBondContact OE1-NE1 2.62Å
49L90.1Very high76.4Confident33 Ų3362.8 Ų62.817%0.17332%0.32CS..EExtended strand (participates in β ladder)trans-121.4123.2175.9-178.764.8000108.9V11 A14 Y15 C25 W27 I51 L67V11-L49 HydrophobicContact CG1-CB 4.19Å; A14-L49 HydrophobicContact CB-CD2 3.69Å; Y15-L49 HydrophobicContact CD2-CD1 4.13Å; C25-L49 HydrophobicContact CB-CD1 4.38Å; W27-L49 HydrophobicContact CB-CD1 4.25Å; L49-I51 HydrophobicContact CD2-CD1 3.93Å; L49-I51 HydrophobicContact CD2-CG1 4.16Å; L49-I51 HydrophobicContact CG-CD1 4.31Å; L49-I51 HydrophobicContact CG-CG1 3.99Å; L49-L67 HydrophobicContact CD2-CD1 3.79Å
50W90.2Very high77.1Confident41 Ų4165.9 Ų65.916%0.15533%0.33CS..EExtended strand (participates in β ladder)trans-99.9132.4172.8-68.766.5000109.1C25 V26 E48 F52 T83 M86C25-W50 CarbonylContact C-O 3.6Å; C25-W50 WeakPolarHBondContact CA-O 3.44Å; C25-W50 WeakPolarHBondContact CB-O 3.5Å; V26-W50 HydrophobicContact CG1-CB 3.64Å; V26-W50 HydrophobicContact CG1-CG 4.26Å; V26-W50 PolarHBondContact N-O 2.94Å; V26-W50 PolarHBondContact O-N 2.98Å; E48-W50 PolarHBondContact OE1-NE1 2.62Å; W50-F52 HydrophobicContact CB-CE2 3.97Å; W50-F52 HydrophobicContact CB-CZ 4.32Å; W50-F52 HydrophobicContact CE3-CE1 4.43Å; W50-F52 AromaticContact CE3-CZ 3.89Å; W50-F52 HydrophobicContact CE3-CZ 3.89Å; W50-T83 HydrophobicContact CZ3-CG2 3.91Å; W50-M86 HydrophobicContact CD2-CB 4.11Å; W50-M86 HydrophobicContact CD2-CG 3.96Å; W50-M86 HydrophobicContact CE3-CB 4.12Å; W50-M86 HydrophobicContact CE3-CG 4.28Å; W50-M86 HydrophobicContact CG-CB 4.39Å; W50-M86 HydrophobicContact CG-CG 4.34Å; W50-M86 HydrophobicContact CZ2-CG 4.34Å
51I88.4Confident77.4Confident22 Ų2265.1 Ų65.111%0.11334%0.338CS..EExtended strand (participates in β ladder)trans-127.9129.2177.9-51.1-169.7000107.7L24 C25 L49 W53 P58 W60 L63L24-I51 WeakPolarHBondContact O-CA 3.48Å; C25-I51 HydrophobicContact CB-CG1 4.5Å; L49-I51 HydrophobicContact CD2-CD1 3.93Å; L49-I51 HydrophobicContact CD2-CG1 4.16Å; L49-I51 HydrophobicContact CG-CD1 4.31Å; L49-I51 HydrophobicContact CG-CG1 3.99Å; I51-W53 HydrophobicContact CG2-CE3 4.38Å; I51-W53 WeakPolarHBondContact O-CZ3 3.47Å; I51-P58 HydrophobicContact CG2-CG 4.34Å; I51-W60 HydrophobicContact CD1-CZ3 3.82Å; I51-L63 HydrophobicContact CD1-CD1 3.65Å
52F86.7Confident77.3Confident34 Ų3469.2 Ų69.215%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-113.5136177.8-57.7-89.7000108.9L24 V26 W50 T83 M86 L87 A90L24-F52 HydrophobicContact CB-CB 3.91Å; L24-F52 PolarHBondContact O-N 3.08Å; V26-F52 HydrophobicContact CG1-CE2 4.19Å; W50-F52 HydrophobicContact CB-CE2 3.97Å; W50-F52 HydrophobicContact CB-CZ 4.32Å; W50-F52 HydrophobicContact CE3-CE1 4.43Å; W50-F52 AromaticContact CE3-CZ 3.89Å; W50-F52 HydrophobicContact CE3-CZ 3.89Å; F52-T83 HydrophobicContact CE1-CG2 3.97Å; F52-M86 HydrophobicContact CE2-CB 4.26Å; F52-M86 HydrophobicContact CZ-CB 3.8Å; F52-L87 HydrophobicContact CB-CD1 4.16Å; F52-L87 HydrophobicContact CD1-CB 4.29Å; F52-L87 HydrophobicContact CD1-CD1 3.78Å; F52-L87 HydrophobicContact CD2-CD1 4.3Å; F52-L87 HydrophobicContact CE1-CB 3.87Å; F52-L87 HydrophobicContact CE1-CD1 4.24Å; F52-L87 HydrophobicContact CE2-CB 4.48Å; F52-L87 HydrophobicContact CG-CD1 3.81Å; F52-L87 HydrophobicContact CZ-CB 3.98Å; F52-A90 HydrophobicContact CD2-CB 3.68Å; F52-A90 HydrophobicContact CE2-CB 3.88Å
53W79.6Confident77.2Confident91 Ų9164 Ų6435%0.34534%0.339SS..  trans-142.1159.7176.366.397.8000110.6I51 D56 E57 P58 W60I51-W53 HydrophobicContact CG2-CE3 4.38Å; I51-W53 WeakPolarHBondContact O-CZ3 3.47Å; W53-D56 VanDerWaalsContact CD1-O 3.28Å; W53-E57 HydrophobicContact CZ2-CG 4.03Å; W53-P58 VanDerWaalsContact CD2-CD 3.44Å; W53-P58 HydrophobicContact CD2-CG 4.17Å; W53-P58 HydrophobicContact CE3-CG 4.02Å; W53-P58 HydrophobicContact CG-CG 4.47Å; W53-W60 HydrophobicContact CH2-CH2 4.35Å; W53-W60 HydrophobicContact CH2-CZ2 4.17Å; W53-W60 HydrophobicContact CZ3-CH2 4.08Å; W53-W60 HydrophobicContact CZ3-CZ2 4.31Å
54Y73Confident77Confident170 Ų17063.8 Ų63.867%0.66734%0.34SS*.SBendtrans-119.5129170.7-105.9-89.3000107.9W75Y54-W75 HydrophobicContact CE2-CE3 4.27Å; Y54-W75 AromaticContact CE2-CZ3 3.83Å; Y54-W75 HydrophobicContact CE2-CZ3 3.83Å; Y54-W75 AromaticContact CZ-CZ3 3.99Å; Y54-W75 WeakPolarHBondContact OH-CZ3 3.43Å
55G71.8Confident76.7Confident66 Ų6667.3 Ų67.368%0.6836%0.355SS*.SBendtrans85.9-128.8-178.300000112.6
56D69.9Low76.6Confident128 Ų12869.8 Ų69.868%0.68437%0.372SS*.SBendtrans-66.9140.5-172.9-60.6-33.6000112.3W53W53-D56 VanDerWaalsContact CD1-O 3.28Å
57E74.8Confident76.5Confident102 Ų10265.3 Ų65.348%0.47735%0.352SS..PPolyproline II helixtrans-61.6135.8179.3-167.3177-177.100110.9W53 W60 K69W53-E57 HydrophobicContact CZ2-CG 4.03Å; E57-W60 VanDerWaalsContact CD-NE1 3.34Å; E57-W60 HydrophobicContact CG-CZ2 3.99Å; E57-W60 WeakPolarHBondContact OE1-CZ2 3.44Å; E57-W60 PolarHBondContact OE1-NE1 2.85Å; E57-K69 IonicContact OE1-NZ 3.82Å; E57-K69 PolarHBondContact OE1-NZ 3.17Å
58P74.4Confident76.2Confident6 Ų669.9 Ų69.94%0.03938%0.382CS..PPolyproline II helixtrans-63143.4177.224.5-33.1000111.5Y23 I51 W53 W60 L63Y23-P58 HydrophobicContact CD1-CB 4.27Å; Y23-P58 HydrophobicContact CE1-CB 3.6Å; I51-P58 HydrophobicContact CG2-CG 4.34Å; W53-P58 VanDerWaalsContact CD2-CD 3.44Å; W53-P58 HydrophobicContact CD2-CG 4.17Å; W53-P58 HydrophobicContact CE3-CG 4.02Å; W53-P58 HydrophobicContact CG-CG 4.47Å; P58-W60 HydrophobicContact CG-CH2 4.18Å; P58-W60 HydrophobicContact CG-CZ2 4.15Å; P58-W60 PolarHBondContact O-N 3.25Å; P58-L63 HydrophobicContact CB-CD1 4.41Å
59D75.7Confident75.7Confident96 Ų9674 Ų7451%0.51340%0.4SS..  trans-71.399.3176.6-176.6-2.3000110.6G61 L62D59-G61 PolarHBondContact O-N 3.49Å; D59-G61 VanDerWaalsContact O-N 3.14Å; D59-G61 PolarHBondContact OD1-N 2.81Å; D59-G61 VanDerWaalsContact OD1-N 3.12Å; D59-L62 HydrophobicContact CB-CD1 4.06Å; D59-L62 PolarHBondContact O-N 2.93Å; D59-L62 VanDerWaalsContact O-N 3.1Å
60W72.3Confident75.1Confident97 Ų9779 Ų7937%0.36743%0.426SS..Hα-helixtrans-56.6-28-178.5-56.3108.3000113.4I51 W53 E57 P58 L62 L63 C64I51-W60 HydrophobicContact CD1-CZ3 3.82Å; W53-W60 HydrophobicContact CH2-CH2 4.35Å; W53-W60 HydrophobicContact CH2-CZ2 4.17Å; W53-W60 HydrophobicContact CZ3-CH2 4.08Å; W53-W60 HydrophobicContact CZ3-CZ2 4.31Å; E57-W60 VanDerWaalsContact CD-NE1 3.34Å; E57-W60 HydrophobicContact CG-CZ2 3.99Å; E57-W60 WeakPolarHBondContact OE1-CZ2 3.44Å; E57-W60 PolarHBondContact OE1-NE1 2.85Å; P58-W60 HydrophobicContact CG-CH2 4.18Å; P58-W60 HydrophobicContact CG-CZ2 4.15Å; P58-W60 PolarHBondContact O-N 3.25Å; W60-L62 VanDerWaalsContact C-N 3.26Å; W60-L62 PolarHBondContact O-N 3Å; W60-L63 HydrophobicContact CE3-CD1 4.38Å; W60-L63 PolarHBondContact O-N 2.79Å; W60-C64 PolarHBondContact O-N 3.45Å
61G69.5Low74.3Confident49 Ų4981.9 Ų81.951%0.50544%0.441SS..Hα-helixtrans-65.3-28.6179.300000113.4D59D59-G61 PolarHBondContact O-N 3.49Å; D59-G61 VanDerWaalsContact O-N 3.14Å; D59-G61 PolarHBondContact OD1-N 2.81Å; D59-G61 VanDerWaalsContact OD1-N 3.12Å
62L65.8Low73.6Confident96 Ų9686.6 Ų86.650%0.50346%0.462SS..Hα-helixtrans-81.5-19.6178.7-78.5163.7000113.4D59 W60D59-L62 HydrophobicContact CB-CD1 4.06Å; D59-L62 PolarHBondContact O-N 2.93Å; D59-L62 VanDerWaalsContact O-N 3.1Å; W60-L62 VanDerWaalsContact C-N 3.26Å; W60-L62 PolarHBondContact O-N 3Å
63L68.2Low72.9Confident2 Ų288.5 Ų88.51%0.0148%0.48CS..Hα-helixtrans-89.2-62.7-174.5-64.5175.8000110.8R17 C18 Y23 I51 P58 W60R17-L63 WeakPolarHBondContact CD-O 3.47Å; R17-L63 PolarHBondContact NH1-O 2.98Å; C18-L63 WeakPolarHBondContact SG-CD2 3.49Å; Y23-L63 HydrophobicContact CD2-CD2 3.84Å; Y23-L63 HydrophobicContact CE2-CD2 3.83Å; I51-L63 HydrophobicContact CD1-CD1 3.65Å; P58-L63 HydrophobicContact CB-CD1 4.41Å; W60-L63 HydrophobicContact CE3-CD1 4.38Å; W60-L63 PolarHBondContact O-N 2.79Å
64C66.2Low72.5Confident21 Ų2187.3 Ų87.314%0.14249%0.485CS..  trans-173.8130.2168.9-157.40000110.7A14 W60 S66 L67A14-C64 HydrophobicContact CB-CB 3.82Å; W60-C64 PolarHBondContact O-N 3.45Å; C64-S66 VanDerWaalsContact C-N 3.25Å; C64-S66 PolarHBondContact O-N 2.99Å; C64-S66 PolarHBondContact SG-OG 3.18Å; C64-L67 HydrophobicContact CB-CD1 4.3Å; C64-L67 HydrophobicContact CB-CG 4.23Å
65T64Low72.4Confident135 Ų13582 Ų8283%0.82846%0.464SS*.THydrogen-bonded Turntrans-75.5-9.8-178.854.40000114.2
66S74Confident72.2Confident72 Ų7287.6 Ų87.650%0.50347%0.472SS..THydrogen-bonded Turntrans-93.1-1.2-176.652.20000114.3P10 C64P10-S66 VanDerWaalsContact CB-OG 3.3Å; P10-S66 WeakPolarHBondContact CB-OG 3.38Å; C64-S66 VanDerWaalsContact C-N 3.25Å; C64-S66 PolarHBondContact O-N 2.99Å; C64-S66 PolarHBondContact SG-OG 3.18Å
67L79Confident72Confident60 Ų6091 Ų9131%0.31448%0.481SS..PPolyproline II helixtrans-84.4139.1177.1-66.5177.6000111.6V11 A14 L49 C64V11-L67 HydrophobicContact CG2-CD2 3.75Å; A14-L67 HydrophobicContact CB-CD1 3.51Å; A14-L67 HydrophobicContact CB-CG 4.35Å; L49-L67 HydrophobicContact CD2-CD1 3.79Å; C64-L67 HydrophobicContact CB-CD1 4.3Å; C64-L67 HydrophobicContact CB-CG 4.23Å
68T78.2Confident71.5Confident123 Ų12388.4 Ų88.476%0.75548%0.482SS*.PPolyproline II helixtrans-98.8126.8171.449.60000110.3I70T68-I70 PolarHBondContact O-N 3.49Å
69K78.6Confident71.4Confident110 Ų11089.2 Ų89.248%0.47849%0.487SS..PPolyproline II helixtrans-70.8124.8175.2-166.4174.2-171.1175.90109.7E57 E72E57-K69 IonicContact OE1-NZ 3.82Å; E57-K69 PolarHBondContact OE1-NZ 3.17Å; K69-E72 VanDerWaalsContact CE-OE1 3.28Å; K69-E72 WeakPolarHBondContact CE-OE1 3.37Å; K69-E72 WeakPolarHBondContact CE-OE2 3.37Å; K69-E72 IonicContact NZ-OE1 3.31Å; K69-E72 PolarHBondContact NZ-OE1 3.27Å; K69-E72 IonicContact NZ-OE2 2.8Å; K69-E72 PolarHBondContact NZ-OE2 2.69Å
70I77Confident71.4Confident138 Ų13889.5 Ų89.571%0.70849%0.485SS*.  trans-102.2-44.5-175.4-59.4174.3000111.9T68T68-I70 PolarHBondContact O-N 3.49Å
71E73.8Confident71.6Confident102 Ų10286.3 Ų86.348%0.47747%0.473SS..  trans-135169.2-175.2-158.3-132.276.900111S73E71-S73 WeakPolarHBondContact OE1-CB 3.24Å; E71-S73 PolarHBondContact OE1-N 3.4Å; E71-S73 VanDerWaalsContact OE1-N 3.09Å; E71-S73 PolarHBondContact OE1-OG 2.71Å
72E73.8Confident72.1Confident120 Ų12086.7 Ų86.756%0.56146%0.462SS*.  trans-154.4107171.9-176.9122.5-103.100109.6K69K69-E72 VanDerWaalsContact CE-OE1 3.28Å; K69-E72 WeakPolarHBondContact CE-OE1 3.37Å; K69-E72 WeakPolarHBondContact CE-OE2 3.37Å; K69-E72 IonicContact NZ-OE1 3.31Å; K69-E72 PolarHBondContact NZ-OE1 3.27Å; K69-E72 IonicContact NZ-OE2 2.8Å; K69-E72 PolarHBondContact NZ-OE2 2.69Å
73S71.6Confident72.9Confident75 Ų7582.7 Ų82.752%0.52444%0.441SS..  trans-121.4149176.8490000112.6E71E71-S73 WeakPolarHBondContact OE1-CB 3.24Å; E71-S73 PolarHBondContact OE1-N 3.4Å; E71-S73 VanDerWaalsContact OE1-N 3.09Å; E71-S73 PolarHBondContact OE1-OG 2.71Å
74S71.5Confident73.7Confident65 Ų6584.5 Ų84.546%0.45545%0.448SS..  trans-119144.3177.5170.20000110E76 K77S74-E76 PolarHBondContact O-N 2.83Å; S74-E76 VanDerWaalsContact O-N 3.16Å; S74-E76 PolarHBondContact OG-N 3.49Å; S74-K77 PolarHBondContact O-N 3.29Å
75W70.8Confident74.6Confident60 Ų6084.1 Ų84.123%0.22745%0.445CS..G310 helixtrans-59.7-24.3177.1-146.3-44.5000112.6Y54 K77 G78 V79 L87 E142 V145Y54-W75 HydrophobicContact CE2-CE3 4.27Å; Y54-W75 AromaticContact CE2-CZ3 3.83Å; Y54-W75 HydrophobicContact CE2-CZ3 3.83Å; Y54-W75 AromaticContact CZ-CZ3 3.99Å; Y54-W75 WeakPolarHBondContact OH-CZ3 3.43Å; W75-K77 PolarHBondContact O-N 3.07Å; W75-K77 VanDerWaalsContact O-N 3.13Å; W75-G78 PolarHBondContact O-N 2.96Å; W75-V79 HydrophobicContact CB-CG2 4.29Å; W75-V79 HydrophobicContact CD2-CG2 3.87Å; W75-V79 HydrophobicContact CG-CG2 3.57Å; W75-L87 HydrophobicContact CH2-CD2 3.83Å; W75-L87 HydrophobicContact CZ3-CD2 4.17Å; W75-E142 PolarHBondContact NE1-O 3.48Å; W75-E142 VanDerWaalsContact NE1-O 3.11Å; W75-V145 HydrophobicContact CH2-CG2 3.58Å; W75-V145 HydrophobicContact CZ2-CG2 3.84Å
76E66.7Low75.7Confident182 Ų18278 Ų7885%0.8541%0.407SS*.G310 helixtrans-60.6-24.7-178.4-66.1-176.4161.100113.9S74S74-E76 PolarHBondContact O-N 2.83Å; S74-E76 VanDerWaalsContact O-N 3.16Å; S74-E76 PolarHBondContact OG-N 3.49Å
77K66.1Low76.4Confident199 Ų19975.2 Ų75.287%0.86539%0.387SS*.G310 helixtrans-94.96.9177.6-65.6-175.8-179.8178.50113.5S74 W75S74-K77 PolarHBondContact O-N 3.29Å; W75-K77 PolarHBondContact O-N 3.07Å; W75-K77 VanDerWaalsContact O-N 3.13Å
78G65.2Low76.9Confident48 Ų4872.5 Ų72.550%0.49537%0.372SS..  trans82.1147.5-169.500000112.1W75W75-G78 PolarHBondContact O-N 2.96Å
79V70.9Confident77.6Confident23 Ų2366.9 Ų66.914%0.13934%0.338CS..  trans-100.5121.7-176.4-174.60000109.8W75 T83 R84W75-V79 HydrophobicContact CB-CG2 4.29Å; W75-V79 HydrophobicContact CD2-CG2 3.87Å; W75-V79 HydrophobicContact CG-CG2 3.57Å; V79-T83 HydrophobicContact CG1-CG2 3.6Å; V79-R84 HydrophobicContact CB-CG 4.15Å; V79-R84 HydrophobicContact CG1-CG 3.68Å; V79-R84 PolarHBondContact O-NE 3.05Å; V79-R84 PolarHBondContact O-NH2 3.33Å
80E76.1Confident78.2Confident102 Ų10261.7 Ų61.748%0.47732%0.315SS..  trans-57.7149.7172.7-66.6-16617700111.3E82 T83 R84 K1092E80-E82 VanDerWaalsContact C-N 3.26Å; E80-E82 PolarHBondContact O-N 3.44Å; E80-T83 PolarHBondContact O-N 2.87Å; E80-T83 VanDerWaalsContact O-N 3.15Å; E80-R84 WeakPolarHBondContact O-CG 3.26Å; E80-R84 PolarHBondContact O-N 3.36Å; E80-K1092 IonicContact OE2-NZ 3.31Å
81Y77.9Confident78.8Confident31 Ų3155.8 Ų55.812%0.12229%0.285CS..Hα-helixtrans-55.5-41.9-178.5-179.4-101.1000112.7T83 R84 T85 D1048 F1051 G1096 S1098Y81-T83 PolarHBondContact O-N 3.08Å; Y81-R84 WeakPolarHBondContact O-CB 3.19Å; Y81-R84 PolarHBondContact O-N 3.24Å; Y81-R84 VanDerWaalsContact O-N 3.15Å; Y81-T85 HydrophobicContact CD1-CG2 4.19Å; Y81-T85 HydrophobicContact CE1-CG2 3.72Å; Y81-T85 HydrophobicContact CE2-CG2 4.47Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 VanDerWaalsContact O-N 3.07Å; Y81-D1048 HydrophobicContact CE2-CB 3.85Å; Y81-F1051 HydrophobicContact CD2-CD2 4.16Å; Y81-F1051 AromaticContact CD2-CE2 3.81Å; Y81-F1051 HydrophobicContact CD2-CE2 3.81Å; Y81-F1051 AromaticContact CE2-CD2 3.61Å; Y81-F1051 HydrophobicContact CE2-CD2 3.61Å; Y81-F1051 AromaticContact CE2-CE2 3.75Å; Y81-F1051 HydrophobicContact CE2-CE2 3.75Å; Y81-G1096 WeakPolarHBondContact CE2-O 3.37Å; Y81-G1096 VanDerWaalsContact CZ-O 3.25Å; Y81-G1096 PolarHBondContact OH-O 2.87Å; Y81-S1098 PolarHBondContact OH-OG 3.25Å
82E78.4Confident79.5Confident57 Ų5751.5 Ų51.527%0.26626%0.264SS..Hα-helixtrans-58.3-49.8177.8-175.6171.8-168.100111.3R28 E80 R84 T85 M86R28-E82 IonicContact CZ-OE1 3.19Å; R28-E82 IonicContact NH1-OE1 3.66Å; R28-E82 PolarHBondContact NH1-OE1 3.37Å; R28-E82 IonicContact NH2-OE1 2.88Å; R28-E82 PolarHBondContact NH2-OE1 3.04Å; E80-E82 VanDerWaalsContact C-N 3.26Å; E80-E82 PolarHBondContact O-N 3.44Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.38Å; E82-T85 PolarHBondContact O-N 3.2Å; E82-T85 VanDerWaalsContact O-N 3.1Å; E82-T85 PolarHBondContact O-OG1 2.93Å; E82-M86 PolarHBondContact O-N 3.17Å
83T83.7Confident80.3Confident12 Ų1246.4 Ų46.47%0.07424%0.241CC..Hα-helixtrans-59.1-36.4176-51.70000112.2W50 F52 V79 E80 Y81 M86 L87W50-T83 HydrophobicContact CZ3-CG2 3.91Å; F52-T83 HydrophobicContact CE1-CG2 3.97Å; V79-T83 HydrophobicContact CG1-CG2 3.6Å; E80-T83 PolarHBondContact O-N 2.87Å; E80-T83 VanDerWaalsContact O-N 3.15Å; Y81-T83 PolarHBondContact O-N 3.08Å; T83-M86 PolarHBondContact O-N 3.46Å; T83-L87 WeakPolarHBondContact O-CB 3.25Å; T83-L87 PolarHBondContact O-N 3.37Å
84R83.8Confident81Confident39 Ų3943 Ų4315%0.14722%0.217CC..Hα-helixtrans-62.3-46.1174-61.6175.9-167.7-161.70.7111.9V79 E80 Y81 E82 M86 L87 F88 V139 D1048V79-R84 HydrophobicContact CB-CG 4.15Å; V79-R84 HydrophobicContact CG1-CG 3.68Å; V79-R84 PolarHBondContact O-NE 3.05Å; V79-R84 PolarHBondContact O-NH2 3.33Å; E80-R84 WeakPolarHBondContact O-CG 3.26Å; E80-R84 PolarHBondContact O-N 3.36Å; Y81-R84 WeakPolarHBondContact O-CB 3.19Å; Y81-R84 PolarHBondContact O-N 3.24Å; Y81-R84 VanDerWaalsContact O-N 3.15Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.38Å; R84-M86 VanDerWaalsContact C-N 3.31Å; R84-M86 PolarHBondContact O-N 2.82Å; R84-L87 WeakPolarHBondContact O-CB 3.28Å; R84-L87 PolarHBondContact O-N 2.93Å; R84-F88 HydrophobicContact CB-CE2 4.28Å; R84-F88 HydrophobicContact CB-CZ 4.31Å; R84-F88 WeakPolarHBondContact O-CD1 3.42Å; R84-F88 WeakPolarHBondContact O-CD2 3.42Å; R84-F88 WeakPolarHBondContact O-CG 3.29Å; R84-F88 PolarHBondContact O-N 3.47Å; R84-V139 HydrophobicContact CG-CG2 4.05Å; R84-D1048 IonicContact NH1-OD2 2.72Å
85T85Confident81.8Confident13 Ų1340.2 Ų40.28%0.0820%0.197CC..Hα-helixtrans-62.9-38.8178.964.60000112Y81 E82 F88 K89 H1046 R1047Y81-T85 HydrophobicContact CD1-CG2 4.19Å; Y81-T85 HydrophobicContact CE1-CG2 3.72Å; Y81-T85 HydrophobicContact CE2-CG2 4.47Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 VanDerWaalsContact O-N 3.07Å; E82-T85 PolarHBondContact O-N 3.2Å; E82-T85 VanDerWaalsContact O-N 3.1Å; E82-T85 PolarHBondContact O-OG1 2.93Å; T85-F88 PolarHBondContact O-N 3.23Å; T85-K89 PolarHBondContact O-N 2.96Å; T85-K89 VanDerWaalsContact O-N 3.12Å; T85-H1046 WeakPolarHBondContact CA-O 3.38Å; T85-H1046 VanDerWaalsContact CB-O 3.24Å; T85-H1046 WeakPolarHBondContact CB-O 2.93Å; T85-R1047 HydrophobicContact CG2-CG 4.44Å
86M87.9Confident82.6Confident6 Ų638.2 Ų38.23%0.0319%0.191CC..Hα-helixtrans-66.5-41.9175-65-54.7102.100111.6V26 W50 F52 E82 T83 R84 F88 K89 A90 T1041V26-M86 HydrophobicContact CG1-CB 3.98Å; V26-M86 HydrophobicContact CG1-SD 4.24Å; W50-M86 HydrophobicContact CD2-CB 4.11Å; W50-M86 HydrophobicContact CD2-CG 3.96Å; W50-M86 HydrophobicContact CE3-CB 4.12Å; W50-M86 HydrophobicContact CE3-CG 4.28Å; W50-M86 HydrophobicContact CG-CB 4.39Å; W50-M86 HydrophobicContact CG-CG 4.34Å; W50-M86 HydrophobicContact CZ2-CG 4.34Å; F52-M86 HydrophobicContact CE2-CB 4.26Å; F52-M86 HydrophobicContact CZ-CB 3.8Å; E82-M86 PolarHBondContact O-N 3.17Å; T83-M86 PolarHBondContact O-N 3.46Å; R84-M86 VanDerWaalsContact C-N 3.31Å; R84-M86 PolarHBondContact O-N 2.82Å; M86-F88 PolarHBondContact O-N 2.92Å; M86-K89 PolarHBondContact O-N 2.65Å; M86-A90 PolarHBondContact O-N 2.98Å; M86-T1041 HydrophobicContact CE-CG2 3.97Å; M86-T1041 HydrophobicContact SD-CG2 3.74Å
87L88.8Confident83.5Confident15 Ų1530.4 Ų30.48%0.07915%0.153CC..Hα-helixtrans-59.9-44.3174.8176.363.4000111.5F52 W75 T83 R84 K89 A90 L91 V145F52-L87 HydrophobicContact CB-CD1 4.16Å; F52-L87 HydrophobicContact CD1-CB 4.29Å; F52-L87 HydrophobicContact CD1-CD1 3.78Å; F52-L87 HydrophobicContact CD2-CD1 4.3Å; F52-L87 HydrophobicContact CE1-CB 3.87Å; F52-L87 HydrophobicContact CE1-CD1 4.24Å; F52-L87 HydrophobicContact CE2-CB 4.48Å; F52-L87 HydrophobicContact CG-CD1 3.81Å; F52-L87 HydrophobicContact CZ-CB 3.98Å; W75-L87 HydrophobicContact CH2-CD2 3.83Å; W75-L87 HydrophobicContact CZ3-CD2 4.17Å; T83-L87 WeakPolarHBondContact O-CB 3.25Å; T83-L87 PolarHBondContact O-N 3.37Å; R84-L87 WeakPolarHBondContact O-CB 3.28Å; R84-L87 PolarHBondContact O-N 2.93Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.26Å; L87-L91 HydrophobicContact CD1-CD1 4.5Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.33Å; L87-L91 PolarHBondContact O-N 3.13Å; L87-V145 HydrophobicContact CD2-CG2 4.17Å
88F90.3Very high84.5Confident2 Ų221.2 Ų21.21%0.00911%0.114CC..Hα-helixtrans-65.1-36.7179.1-60.8-22.9000113R84 T85 M86 L91 H92 F137 V139 V145 H1046 D1048R84-F88 HydrophobicContact CB-CE2 4.28Å; R84-F88 HydrophobicContact CB-CZ 4.31Å; R84-F88 WeakPolarHBondContact O-CD1 3.42Å; R84-F88 WeakPolarHBondContact O-CD2 3.42Å; R84-F88 WeakPolarHBondContact O-CG 3.29Å; R84-F88 PolarHBondContact O-N 3.47Å; T85-F88 PolarHBondContact O-N 3.23Å; M86-F88 PolarHBondContact O-N 2.92Å; F88-L91 HydrophobicContact CD1-CD1 4.29Å; F88-H92 PolarHBondContact O-N 3.11Å; F88-H92 PolarHBondContact O-ND1 3.11Å; F88-F137 HydrophobicContact CB-CB 4.22Å; F88-F137 HydrophobicContact CB-CD2 4.47Å; F88-F137 HydrophobicContact CD1-CB 3.46Å; F88-F137 VanDerWaalsContact CD1-CB 3.46Å; F88-F137 HydrophobicContact CD1-CG 4.11Å; F88-F137 HydrophobicContact CD2-CB 4.06Å; F88-F137 HydrophobicContact CE1-CB 3.69Å; F88-F137 HydrophobicContact CE2-CB 4.25Å; F88-F137 HydrophobicContact CG-CB 3.65Å; F88-F137 HydrophobicContact CG-CG 4.41Å; F88-F137 HydrophobicContact CZ-CB 4.07Å; F88-V139 HydrophobicContact CE1-CG2 4.2Å; F88-V139 HydrophobicContact CZ-CG2 3.81Å; F88-V145 HydrophobicContact CD1-CG1 4.46Å; F88-V145 HydrophobicContact CE1-CG1 3.95Å; F88-V145 HydrophobicContact CE1-CG2 4.44Å; F88-H1046 HydrophobicContact CB-CB 3.85Å; F88-D1048 HydrophobicContact CE2-CB 3.71Å; F88-D1048 HydrophobicContact CZ-CB 4.42Å
89K91.1Very high85.7Confident6 Ų619.1 Ų19.13%0.0269%0.092CC..Hα-helixtrans-67.9-40.7172.2176.959.7175.7159.30111.4V26 T85 M86 L87 L91 H92 N93 S1039 T1041 D1044 H1046V26-K89 HydrophobicContact CB-CG 4.18Å; V26-K89 HydrophobicContact CG2-CB 4.03Å; V26-K89 HydrophobicContact CG2-CG 3.34Å; T85-K89 PolarHBondContact O-N 2.96Å; T85-K89 VanDerWaalsContact O-N 3.12Å; M86-K89 PolarHBondContact O-N 2.65Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.89Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 2.76Å; K89-H92 WeakPolarHBondContact O-CB 3.28Å; K89-H92 PolarHBondContact O-N 3.04Å; K89-N93 WeakPolarHBondContact CE-OD1 3.29Å; K89-N93 PolarHBondContact NZ-OD1 3.41Å; K89-N93 VanDerWaalsContact O-CG 3.27Å; K89-N93 PolarHBondContact O-N 3.06Å; K89-N93 PolarHBondContact O-OD1 3Å; K89-S1039 WeakPolarHBondContact CE-O 3.45Å; K89-T1041 HydrophobicContact CB-CG2 4.45Å; K89-T1041 HydrophobicContact CG-CG2 3.94Å; K89-D1044 IonicContact NZ-OD2 3.67Å; K89-D1044 PolarHBondContact NZ-OD2 3.37Å; K89-H1046 HydrophobicContact CB-CB 4.34Å; K89-H1046 WeakPolarHBondContact CD-CD2 3.31Å
90A91.1Very high86.5Confident0 Ų018.6 Ų18.60%09%0.088CC..Hα-helixtrans-61.7-41.3175.400000112L24 V26 F52 M86 L87 N93 Q94L24-A90 HydrophobicContact CB-CB 4.39Å; L24-A90 HydrophobicContact CD2-CB 4.41Å; V26-A90 HydrophobicContact CB-CB 4.37Å; V26-A90 HydrophobicContact CG1-CB 4.46Å; F52-A90 HydrophobicContact CD2-CB 3.68Å; F52-A90 HydrophobicContact CE2-CB 3.88Å; M86-A90 PolarHBondContact O-N 2.98Å; L87-A90 PolarHBondContact O-N 3.26Å; A90-N93 PolarHBondContact O-N 2.89Å; A90-Q94 PolarHBondContact O-N 3.28Å; A90-Q94 VanDerWaalsContact O-N 3.08Å
91L89.9Confident86.9Confident15 Ų1517.1 Ų17.18%0.0798%0.083CC..Hα-helixtrans-60.5-45.4172.5-72.8167.8000111.4L24 L87 F88 K89 Q94 I95 F137 V145 L1256L24-L91 HydrophobicContact CD2-CD2 3.81Å; L24-L91 HydrophobicContact CD2-CG 4.23Å; L87-L91 HydrophobicContact CD1-CD1 4.5Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.33Å; L87-L91 PolarHBondContact O-N 3.13Å; F88-L91 HydrophobicContact CD1-CD1 4.29Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 2.76Å; L91-Q94 PolarHBondContact O-N 3.24Å; L91-I95 WeakPolarHBondContact O-CB 3.4Å; L91-I95 VanDerWaalsContact O-CG1 3.27Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 2.76Å; L91-F137 HydrophobicContact CB-CE1 4.46Å; L91-F137 HydrophobicContact CB-CE2 4.3Å; L91-F137 HydrophobicContact CB-CZ 4.1Å; L91-F137 HydrophobicContact CD1-CD1 4.09Å; L91-F137 HydrophobicContact CD1-CE1 4.02Å; L91-F137 HydrophobicContact CD1-CZ 4.47Å; L91-V145 HydrophobicContact CD1-CG1 4.04Å; L91-L1256 HydrophobicContact CD2-CD2 3.44Å; L91-L1256 VanDerWaalsContact CD2-CD2 3.44Å
92H89.6Confident87.3Confident11 Ų1117.9 Ų17.95%0.0519%0.093CC..Hα-helixtrans-59.7-45.7174.7-87.791.2000112.7F88 K89 Q94 I95 D96 F137 H1046F88-H92 PolarHBondContact O-N 3.11Å; F88-H92 PolarHBondContact O-ND1 3.11Å; K89-H92 WeakPolarHBondContact O-CB 3.28Å; K89-H92 PolarHBondContact O-N 3.04Å; H92-Q94 VanDerWaalsContact C-N 3.27Å; H92-Q94 PolarHBondContact O-N 2.87Å; H92-I95 PolarHBondContact O-N 3.23Å; H92-D96 WeakPolarHBondContact O-CB 3.39Å; H92-D96 PolarHBondContact O-N 2.83Å; H92-F137 AromaticContact CE1-CD2 3.42Å; H92-F137 VanDerWaalsContact CE1-CD2 3.42Å; H92-F137 WeakPolarHBondContact CE1-CD2 3.19Å; H92-F137 AromaticContact CE1-CE2 3.37Å; H92-F137 WeakPolarHBondContact CE1-CE2 3.48Å; H92-F137 AromaticContact ND1-CD2 3.62Å; H92-F137 AromaticContact ND1-CE2 3.45Å; H92-F137 WeakPolarHBondContact ND1-CE2 3.34Å; H92-H1046 AromaticContact CD2-CE1 3.5Å; H92-H1046 AromaticContact CD2-ND1 3.8Å; H92-H1046 AromaticContact CE1-CE1 3.57Å; H92-H1046 AromaticContact CE1-ND1 3.05Å; H92-H1046 PolarHBondContact CE1-ND1 2.75Å; H92-H1046 AromaticContact CG-CE1 3.39Å; H92-H1046 AromaticContact CG-ND1 3.5Å; H92-H1046 AromaticContact ND1-CE1 3.48Å; H92-H1046 PolarHBondContact ND1-CE1 2.91Å; H92-H1046 AromaticContact ND1-CG 3.73Å; H92-H1046 AromaticContact ND1-ND1 3.05Å; H92-H1046 PolarHBondContact ND1-ND1 3.03Å; H92-H1046 AromaticContact NE2-CE1 3.64Å; H92-H1046 AromaticContact NE2-ND1 3.57Å
93N89.4Confident87.8Confident13 Ų1315.4 Ų15.47%0.078%0.083CC..Hα-helixtrans-59.1-40177.9-68-17.2000111.7Y15 I19 C25 K89 A90 R97Y15-N93 PolarHBondContact OH-ND2 2.73Å; I19-N93 HydrophobicContact CD1-CB 4.12Å; C25-N93 PolarHBondContact O-ND2 3.43Å; K89-N93 WeakPolarHBondContact CE-OD1 3.29Å; K89-N93 PolarHBondContact NZ-OD1 3.41Å; K89-N93 VanDerWaalsContact O-CG 3.27Å; K89-N93 PolarHBondContact O-N 3.06Å; K89-N93 PolarHBondContact O-OD1 3Å; A90-N93 PolarHBondContact O-N 2.89Å; N93-R97 PolarHBondContact O-N 3.1Å
94Q86.8Confident88.2Confident5 Ų516.9 Ų16.92%0.0239%0.088CC..Hα-helixtrans-69.9-39.5177.5-176.769.4-12.500112.2G22 L24 A90 L91 H92 R97 V98 S1255G22-Q94 PolarHBondContact O-NE2 2.77Å; L24-Q94 HydrophobicContact CD2-CB 3.99Å; L24-Q94 HydrophobicContact CD2-CG 4.42Å; A90-Q94 PolarHBondContact O-N 3.28Å; A90-Q94 VanDerWaalsContact O-N 3.08Å; L91-Q94 PolarHBondContact O-N 3.24Å; H92-Q94 VanDerWaalsContact C-N 3.27Å; H92-Q94 PolarHBondContact O-N 2.87Å; Q94-R97 PolarHBondContact O-N 3.23Å; Q94-V98 PolarHBondContact O-N 3.14Å; Q94-S1255 VanDerWaalsContact CG-O 3.26Å; Q94-S1255 WeakPolarHBondContact CG-O 3.48Å; Q94-S1255 PolarHBondContact NE2-O 3Å
95I87.9Confident88.6Confident5 Ų515.4 Ų15.43%0.0268%0.083CC..Hα-helixtrans-67.5-45.4176.1-70.9168.2000110.9L91 H92 R97 V98 L99 F135 F137 L1252L91-I95 WeakPolarHBondContact O-CB 3.4Å; L91-I95 VanDerWaalsContact O-CG1 3.27Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 2.76Å; H92-I95 PolarHBondContact O-N 3.23Å; I95-R97 PolarHBondContact O-N 2.89Å; I95-V98 PolarHBondContact O-N 3.05Å; I95-V98 VanDerWaalsContact O-N 3.13Å; I95-L99 HydrophobicContact CG2-CD1 3.55Å; I95-L99 HydrophobicContact CG2-CG 4.01Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 2.83Å; I95-F135 HydrophobicContact CG2-CD2 4.15Å; I95-F135 HydrophobicContact CG2-CE2 3.68Å; I95-F135 HydrophobicContact CG2-CZ 4.2Å; I95-F137 HydrophobicContact CD1-CE2 4.26Å; I95-F137 HydrophobicContact CD1-CZ 3.6Å; I95-L1252 HydrophobicContact CD1-CD2 3.71Å; I95-L1252 HydrophobicContact CG1-CD2 3.82Å; I95-L1252 HydrophobicContact CG2-CD2 4.35Å
96D88.4Confident89Confident19 Ų1915.7 Ų15.710%0.1028%0.082CC..Hα-helixtrans-49.7-48.7174.4-91.1-37.7000109.5H92 L99 L100 R106 Y111H92-D96 WeakPolarHBondContact O-CB 3.39Å; H92-D96 PolarHBondContact O-N 2.83Å; D96-L99 PolarHBondContact O-N 2.97Å; D96-L100 VanDerWaalsContact O-CB 3.25Å; D96-L100 WeakPolarHBondContact O-CB 3.34Å; D96-L100 VanDerWaalsContact O-CD1 3.31Å; D96-L100 WeakPolarHBondContact O-CD1 3.15Å; D96-L100 WeakPolarHBondContact O-CG 3.43Å; D96-L100 PolarHBondContact O-N 3.26Å; D96-R106 VanDerWaalsContact OD1-CD 3.28Å; D96-R106 WeakPolarHBondContact OD1-CD 3.47Å; D96-R106 IonicContact OD2-NH1 3.55Å; D96-R106 PolarHBondContact OD2-NH1 3.15Å; D96-Y111 WeakPolarHBondContact OD1-CE1 3.48Å; D96-Y111 PolarHBondContact OD1-OH 2.88Å
97R85.9Confident89.3Confident17 Ų1715.4 Ų15.46%0.0648%0.081CC..Hα-helixtrans-60.9-47.9178.1-172.6-174.169.9148.3-4113.4I19 N93 Q94 I95 L100 N101I19-R97 PolarHBondContact O-NH1 3.02Å; N93-R97 PolarHBondContact O-N 3.1Å; Q94-R97 PolarHBondContact O-N 3.23Å; I95-R97 PolarHBondContact O-N 2.89Å; R97-L100 PolarHBondContact O-N 3.15Å; R97-N101 PolarHBondContact O-N 3.07Å; R97-N101 VanDerWaalsContact O-N 3.13Å; R97-N101 PolarHBondContact O-ND2 3.25Å
98V86.7Confident89.3Confident7 Ų714.8 Ų14.84%0.0428%0.078CC..Hα-helixtrans-66.9-42.4-178.9174.10000110.9Q94 I95 L100 N101 S102 L1251 S1255Q94-V98 PolarHBondContact O-N 3.14Å; I95-V98 PolarHBondContact O-N 3.05Å; I95-V98 VanDerWaalsContact O-N 3.13Å; V98-L100 PolarHBondContact O-N 3.37Å; V98-N101 WeakPolarHBondContact O-CB 3.22Å; V98-N101 PolarHBondContact O-N 3.26Å; V98-S102 PolarHBondContact O-N 2.92Å; V98-S102 PolarHBondContact O-OG 3.2Å; V98-L1251 HydrophobicContact CG1-CB 4.16Å; V98-L1251 WeakPolarHBondContact CG1-O 3.48Å; V98-S1255 VanDerWaalsContact CG2-CB 3.43Å
99L89.5Confident89.2Confident4 Ų417.6 Ų17.62%0.0219%0.09CC..Hα-helixtrans-64.6-39177.1-72.4-177000112.4I95 D96 N101 S102 G103 Y104 Y111 F133 F135 L1248 L1251I95-L99 HydrophobicContact CG2-CD1 3.55Å; I95-L99 HydrophobicContact CG2-CG 4.01Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 2.83Å; D96-L99 PolarHBondContact O-N 2.97Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 2.89Å; L99-S102 CarbonylContact O-C 3.58Å; L99-S102 PolarHBondContact O-N 3.04Å; L99-S102 VanDerWaalsContact O-N 3.12Å; L99-G103 PolarHBondContact O-N 3.18Å; L99-G103 VanDerWaalsContact O-N 3.07Å; L99-Y104 HydrophobicContact CD2-CD2 4.02Å; L99-Y104 HydrophobicContact CD2-CG 4.35Å; L99-Y104 PolarHBondContact O-N 3.38Å; L99-Y111 HydrophobicContact CB-CD1 4.41Å; L99-Y111 HydrophobicContact CD1-CD1 3.42Å; L99-Y111 VanDerWaalsContact CD1-CD1 3.42Å; L99-Y111 HydrophobicContact CD1-CE1 3.55Å; L99-Y111 HydrophobicContact CD1-CG 3.93Å; L99-F133 HydrophobicContact CD1-CE2 3.99Å; L99-F133 HydrophobicContact CD1-CZ 4.17Å; L99-F133 HydrophobicContact CD2-CZ 4.41Å; L99-F135 HydrophobicContact CD1-CE2 3.85Å; L99-F135 HydrophobicContact CD1-CZ 4.33Å; L99-L1248 HydrophobicContact CD2-CD2 4.03Å; L99-L1251 HydrophobicContact CD2-CD1 3.92Å
100L87.8Confident89.3Confident12 Ų1218.2 Ų18.26%0.0639%0.092CC..Hα-helixtrans-58-42.9172.5-81.2161.6000112.1D96 R97 V98 S102 G103 Y104 L105 Y210 R258 F259D96-L100 VanDerWaalsContact O-CB 3.25Å; D96-L100 WeakPolarHBondContact O-CB 3.34Å; D96-L100 VanDerWaalsContact O-CD1 3.31Å; D96-L100 WeakPolarHBondContact O-CD1 3.15Å; D96-L100 WeakPolarHBondContact O-CG 3.43Å; D96-L100 PolarHBondContact O-N 3.26Å; R97-L100 PolarHBondContact O-N 3.15Å; V98-L100 PolarHBondContact O-N 3.37Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.82Å; L100-G103 PolarHBondContact O-N 3.38Å; L100-Y104 WeakPolarHBondContact CA-O 3.29Å; L100-L105 HydrophobicContact CD2-CD2 3.68Å; L100-Y210 HydrophobicContact CD1-CD1 4.13Å; L100-R258 PolarHBondContact O-NH2 3.49Å; L100-F259 HydrophobicContact CD1-CZ 4.46Å; L100-F259 HydrophobicContact CD2-CE1 3.9Å; L100-F259 HydrophobicContact CD2-CZ 3.75Å
101N85.2Confident89.5Confident70 Ų7018.3 Ų18.337%0.3749%0.093SC..Hα-helixtrans-65.6-33.7175.7-69.9-26.1000112.3R97 V98 L99 G103 A211 F212 P213R97-N101 PolarHBondContact O-N 3.07Å; R97-N101 VanDerWaalsContact O-N 3.13Å; R97-N101 PolarHBondContact O-ND2 3.25Å; V98-N101 WeakPolarHBondContact O-CB 3.22Å; V98-N101 PolarHBondContact O-N 3.26Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 2.89Å; N101-G103 VanDerWaalsContact C-N 3.29Å; N101-G103 PolarHBondContact O-N 2.81Å; N101-A211 PolarHBondContact OD1-O 3.4Å; N101-F212 WeakPolarHBondContact OD1-CA 3.44Å; N101-P213 WeakPolarHBondContact OD1-CD 3.47Å
102S87.1Confident89.6Confident47 Ų4717.6 Ų17.633%0.3299%0.089SC..THydrogen-bonded Turntrans-832.4175-52.50000114.3V98 L99 L100 L1251V98-S102 PolarHBondContact O-N 2.92Å; V98-S102 PolarHBondContact O-OG 3.2Å; L99-S102 CarbonylContact O-C 3.58Å; L99-S102 PolarHBondContact O-N 3.04Å; L99-S102 VanDerWaalsContact O-N 3.12Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.82Å; S102-L1251 VanDerWaalsContact OG-CD2 3.31Å; S102-L1251 WeakPolarHBondContact OG-CD2 3.41Å
103G87.7Confident89.8Confident6 Ų620.3 Ų20.36%0.06210%0.101CC..THydrogen-bonded Turntrans89.66175.400000116.2L99 L100 N101 H113L99-G103 PolarHBondContact O-N 3.18Å; L99-G103 VanDerWaalsContact O-N 3.07Å; L100-G103 PolarHBondContact O-N 3.38Å; N101-G103 VanDerWaalsContact C-N 3.29Å; N101-G103 PolarHBondContact O-N 2.81Å; G103-H113 PolarHBondContact O-CD2 2.97Å; G103-H113 VanDerWaalsContact O-CD2 3.27Å
104Y92.1Very high89.9Confident43 Ų4319.9 Ų19.917%0.16910%0.1CC..  trans-83.1143.5171-66.6-92000110.5L99 L100 H113 F133 L1251L99-Y104 HydrophobicContact CD2-CD2 4.02Å; L99-Y104 HydrophobicContact CD2-CG 4.35Å; L99-Y104 PolarHBondContact O-N 3.38Å; L100-Y104 WeakPolarHBondContact CA-O 3.29Å; Y104-H113 HydrophobicContact CD1-CB 3.83Å; Y104-H113 HydrophobicContact CE1-CB 3.8Å; Y104-H113 HydrophobicContact CG-CB 4.48Å; Y104-F133 AromaticContact CD1-CE1 3.66Å; Y104-F133 HydrophobicContact CD1-CE1 3.66Å; Y104-F133 AromaticContact CD1-CZ 3.85Å; Y104-F133 HydrophobicContact CD1-CZ 3.85Å; Y104-F133 AromaticContact CE1-CE1 3.61Å; Y104-F133 HydrophobicContact CE1-CE1 3.61Å; Y104-F133 HydrophobicContact CE1-CZ 4.04Å; Y104-F133 HydrophobicContact CG-CZ 4.41Å; Y104-L1251 HydrophobicContact CE2-CD1 4.36Å
105L92.9Very high90Very high8 Ų821.8 Ų21.84%0.04211%0.109CC..EExtended strand (participates in β ladder)trans-117.6140.5171.7-63.2-179.5000109.4L100 F107 Y111 A112 P114 A176 R258L100-L105 HydrophobicContact CD2-CD2 3.68Å; L105-F107 HydrophobicContact CB-CD2 4.4Å; L105-F107 HydrophobicContact CB-CE2 3.72Å; L105-F107 HydrophobicContact CB-CZ 3.97Å; L105-F107 HydrophobicContact CD1-CE2 4.37Å; L105-F107 HydrophobicContact CD1-CZ 3.88Å; L105-Y111 WeakPolarHBondContact O-CA 3.49Å; L105-A112 PolarHBondContact N-O 2.66Å; L105-A112 PolarHBondContact O-N 3.37Å; L105-P114 HydrophobicContact CB-CG 4.3Å; L105-P114 HydrophobicContact CD1-CG 3.57Å; L105-P114 HydrophobicContact CG-CG 3.94Å; L105-A176 HydrophobicContact CB-CB 4.25Å; L105-A176 HydrophobicContact CD1-CB 4.44Å; L105-R258 VanDerWaalsContact CD1-O 3.22Å; L105-R258 WeakPolarHBondContact CD1-O 3.29Å
106R93.5Very high89.9Confident19 Ų1926.3 Ų26.37%0.07213%0.13CC..EExtended strand (participates in β ladder)trans-82.7135.5168.5-176.6177.9164.4-168-4.4109.1D96 G108 W110 Y111 A176 P177 D1044D96-R106 VanDerWaalsContact OD1-CD 3.28Å; D96-R106 WeakPolarHBondContact OD1-CD 3.47Å; D96-R106 IonicContact OD2-NH1 3.55Å; D96-R106 PolarHBondContact OD2-NH1 3.15Å; R106-G108 PolarHBondContact NE-O 2.83Å; R106-G108 PolarHBondContact NH2-O 3.32Å; R106-W110 CarbonylContact C-O 3.57Å; R106-Y111 HydrophobicContact CB-CD1 3.99Å; R106-Y111 HydrophobicContact CB-CE1 3.89Å; R106-Y111 HydrophobicContact CG-CE1 4.26Å; R106-A176 WeakPolarHBondContact O-CB 3.5Å; R106-P177 HydrophobicContact CB-CB 4.21Å; R106-P177 HydrophobicContact CG-CB 4.43Å; R106-P177 CarbonylContact O-C 3.29Å; R106-P177 WeakPolarHBondContact O-CA 3.37Å; R106-D1044 IonicContact CZ-OD1 2.89Å; R106-D1044 IonicContact CZ-OD2 3.82Å; R106-D1044 IonicContact NH1-OD1 3.54Å; R106-D1044 IonicContact NH1-OD2 3.25Å; R106-D1044 PolarHBondContact NH1-OD2 3.48Å; R106-D1044 IonicContact NH2-OD1 3.04Å; R106-D1044 PolarHBondContact NH2-OD1 2.88Å; R106-D1044 IonicContact NH2-OD2 3.89Å; R106-D1044 PolarHBondContact NH2-OD2 3.12Å
107F92.9Very high89.5Confident0 Ų026.5 Ų26.50%013%0.13CC..EExtended strand (participates in β ladder)trans-131.2107166.9-58.8-84.9000107.9L105 K109 W110 I157 I174 A176 P177 W1227 G1228L105-F107 HydrophobicContact CB-CD2 4.4Å; L105-F107 HydrophobicContact CB-CE2 3.72Å; L105-F107 HydrophobicContact CB-CZ 3.97Å; L105-F107 HydrophobicContact CD1-CE2 4.37Å; L105-F107 HydrophobicContact CD1-CZ 3.88Å; F107-K109 PolarHBondContact O-N 3.31Å; F107-K109 VanDerWaalsContact O-N 3.11Å; F107-W110 PolarHBondContact N-O 2.7Å; F107-W110 PolarHBondContact O-N 3.31Å; F107-W110 VanDerWaalsContact O-N 3.08Å; F107-I157 HydrophobicContact CD2-CD1 3.68Å; F107-I157 HydrophobicContact CE2-CD1 3.62Å; F107-I157 HydrophobicContact CE2-CG2 4.28Å; F107-I157 HydrophobicContact CG-CD1 4.18Å; F107-I157 HydrophobicContact CZ-CD1 4.06Å; F107-I157 HydrophobicContact CZ-CG2 4.09Å; F107-I174 HydrophobicContact CB-CD1 4.15Å; F107-I174 HydrophobicContact CD1-CD1 3.7Å; F107-I174 HydrophobicContact CD1-CG1 3.74Å; F107-I174 HydrophobicContact CD1-CG2 4.24Å; F107-I174 HydrophobicContact CE1-CD1 4.35Å; F107-I174 HydrophobicContact CE1-CG1 4.13Å; F107-I174 HydrophobicContact CE1-CG2 3.84Å; F107-I174 HydrophobicContact CG-CD1 4.1Å; F107-I174 HydrophobicContact CZ-CG2 4.44Å; F107-A176 HydrophobicContact CD1-CB 3.98Å; F107-A176 HydrophobicContact CE1-CB 3.73Å; F107-A176 HydrophobicContact CZ-CB 4.27Å; F107-P177 CarbonylContact C-O 3.54Å; F107-P177 WeakPolarHBondContact CA-O 3.47Å; F107-W1227 HydrophobicContact CB-CE3 3.74Å; F107-W1227 HydrophobicContact CB-CZ3 3.68Å; F107-W1227 HydrophobicContact CD2-CE3 4.31Å; F107-W1227 HydrophobicContact CD2-CH2 4.3Å; F107-W1227 AromaticContact CD2-CZ3 3.78Å; F107-W1227 HydrophobicContact CD2-CZ3 3.78Å; F107-W1227 HydrophobicContact CG-CE3 4.25Å; F107-W1227 HydrophobicContact CG-CZ3 4.09Å; F107-G1228 CarbonylContact O-C 3.46Å; F107-G1228 WeakPolarHBondContact O-CA 3.39Å
108G90.5Very high89Confident1 Ų126.7 Ų26.71%0.0113%0.133CC..THydrogen-bonded Turntrans62.4-111.2-172.400000110.8R106 P177 Y1229R106-G108 PolarHBondContact NE-O 2.83Å; R106-G108 PolarHBondContact NH2-O 3.32Å; G108-P177 PolarHBondContact N-O 2.85Å; G108-Y1229 WeakPolarHBondContact CA-OH 3.44Å
109K87.6Confident88.2Confident62 Ų6235.3 Ų35.327%0.2717%0.165SC..THydrogen-bonded Turntrans-90.6-18.9177.6-69.2178.5171.4170.60113.9F107 C134 E1187 G1228 Y1229F107-K109 PolarHBondContact O-N 3.31Å; F107-K109 VanDerWaalsContact O-N 3.11Å; K109-C134 WeakPolarHBondContact O-CB 3.28Å; K109-E1187 WeakPolarHBondContact CE-OE1 3.5Å; K109-E1187 WeakPolarHBondContact CE-OE2 3.43Å; K109-E1187 IonicContact NZ-OE1 3.43Å; K109-E1187 PolarHBondContact NZ-OE1 3.06Å; K109-E1187 IonicContact NZ-OE2 3.42Å; K109-E1187 PolarHBondContact NZ-OE2 3.42Å; K109-G1228 PolarHBondContact N-O 3.42Å; K109-Y1229 HydrophobicContact CG-CD1 4.44Å
110W92.3Very high87.1Confident18 Ų1838.9 Ų38.97%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-106.3128.8-164.4-63.6102.4000112R106 F107 A132 F133 C134 Q152 W1227 G1228 S1230R106-W110 CarbonylContact C-O 3.57Å; F107-W110 PolarHBondContact N-O 2.7Å; F107-W110 PolarHBondContact O-N 3.31Å; F107-W110 VanDerWaalsContact O-N 3.08Å; W110-A132 HydrophobicContact CB-CB 4.19Å; W110-A132 HydrophobicContact CD2-CB 4.45Å; W110-A132 HydrophobicContact CE3-CB 4.05Å; W110-A132 HydrophobicContact CG-CB 4.49Å; W110-F133 CarbonylContact C-O 3.55Å; W110-F133 WeakPolarHBondContact CA-O 3.14Å; W110-C134 HydrophobicContact CD2-CB 4.4Å; W110-C134 HydrophobicContact CE3-CB 4.03Å; W110-C134 HydrophobicContact CZ3-CB 4.13Å; W110-Q152 VanDerWaalsContact CD2-NE2 3.3Å; W110-Q152 HydrophobicContact CE3-CG 4.01Å; W110-Q152 HydrophobicContact CH2-CG 3.78Å; W110-Q152 HydrophobicContact CZ2-CG 4.37Å; W110-Q152 HydrophobicContact CZ3-CG 3.56Å; W110-W1227 HydrophobicContact CB-CH2 4.39Å; W110-W1227 HydrophobicContact CB-CZ3 3.96Å; W110-G1228 VanDerWaalsContact CD1-O 3.29Å; W110-S1230 PolarHBondContact NE1-O 2.98Å
111Y94.6Very high85.7Confident3 Ų343.9 Ų43.91%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-86.3132.8166.5-62.2-93.9000109.2D96 L99 L105 R106 A132 F133 F135D96-Y111 WeakPolarHBondContact OD1-CE1 3.48Å; D96-Y111 PolarHBondContact OD1-OH 2.88Å; L99-Y111 HydrophobicContact CB-CD1 4.41Å; L99-Y111 HydrophobicContact CD1-CD1 3.42Å; L99-Y111 VanDerWaalsContact CD1-CD1 3.42Å; L99-Y111 HydrophobicContact CD1-CE1 3.55Å; L99-Y111 HydrophobicContact CD1-CG 3.93Å; L105-Y111 WeakPolarHBondContact O-CA 3.49Å; R106-Y111 HydrophobicContact CB-CD1 3.99Å; R106-Y111 HydrophobicContact CB-CE1 3.89Å; R106-Y111 HydrophobicContact CG-CE1 4.26Å; Y111-A132 VanDerWaalsContact O-CA 3.3Å; Y111-A132 WeakPolarHBondContact O-CA 3.33Å; Y111-F133 VanDerWaalsContact CB-CZ 3.45Å; Y111-F133 HydrophobicContact CD2-CD2 4.33Å; Y111-F133 HydrophobicContact CD2-CE2 4.17Å; Y111-F133 WeakPolarHBondContact CD2-O 3.44Å; Y111-F133 HydrophobicContact CG-CD2 4.45Å; Y111-F133 AromaticContact CG-CE2 3.95Å; Y111-F133 HydrophobicContact CG-CE2 3.95Å; Y111-F133 HydrophobicContact CG-CZ 4.22Å; Y111-F133 PolarHBondContact N-O 2.87Å; Y111-F133 WeakPolarHBondContact O-CD1 3.44Å; Y111-F133 PolarHBondContact O-N 2.83Å; Y111-F135 HydrophobicContact CD2-CD2 4.1Å; Y111-F135 HydrophobicContact CD2-CE2 4.02Å; Y111-F135 AromaticContact CE2-CD2 3.63Å; Y111-F135 HydrophobicContact CE2-CD2 3.63Å; Y111-F135 AromaticContact CE2-CE2 3.86Å; Y111-F135 HydrophobicContact CE2-CE2 3.86Å
112A93.9Very high84.5Confident0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-143.9153.817000000110.3L105 P114 V130 W1227L105-A112 PolarHBondContact N-O 2.66Å; L105-A112 PolarHBondContact O-N 3.37Å; A112-P114 WeakPolarHBondContact O-CD 3.42Å; A112-V130 HydrophobicContact CB-CG1 4.29Å; A112-V130 HydrophobicContact CB-CG2 4.07Å; A112-W1227 HydrophobicContact CB-CH2 3.58Å; A112-W1227 HydrophobicContact CB-CZ2 4.18Å
113H92.5Very high83Confident67 Ų6748.8 Ų48.831%0.3124%0.236SC..  trans-91.7108.8170.9-174.1-74.4000108.6G103 Y104 L115 R159G103-H113 PolarHBondContact O-CD2 2.97Å; G103-H113 VanDerWaalsContact O-CD2 3.27Å; Y104-H113 HydrophobicContact CD1-CB 3.83Å; Y104-H113 HydrophobicContact CE1-CB 3.8Å; Y104-H113 HydrophobicContact CG-CB 4.48Å; H113-L115 PolarHBondContact O-N 3.39Å; H113-R159 PolarHBondContact CE1-NH2 3.42Å; H113-R159 PolarHBondContact NE2-NH2 3.19Å; H113-R159 VanDerWaalsContact NE2-NH2 3.16Å
114P91.5Very high81.5Confident5 Ų556.3 Ų56.33%0.03228%0.275CS..PPolyproline II helixtrans-60.6137-179.9-19.731.6000111.1L105 A112 I157 R159L105-P114 HydrophobicContact CB-CG 4.3Å; L105-P114 HydrophobicContact CD1-CG 3.57Å; L105-P114 HydrophobicContact CG-CG 3.94Å; A112-P114 WeakPolarHBondContact O-CD 3.42Å; P114-I157 CarbonylContact C-O 3.55Å; P114-I157 WeakPolarHBondContact CA-O 3.12Å; P114-I157 HydrophobicContact CB-CG2 4.29Å; P114-R159 HydrophobicContact CB-CG 3.76Å
115L89.5Confident79.9Confident44 Ų4457.5 Ų57.523%0.2329%0.294CS..BIsolated β-bridgetrans-78.3156.9-178.5-58.8178.9000111.4H113 S127 P156 I157 Y158 R159H113-L115 PolarHBondContact O-N 3.39Å; L115-S127 VanDerWaalsContact CD1-CB 3.43Å; L115-P156 HydrophobicContact CD1-CB 3.7Å; L115-I157 PolarHBondContact N-O 2.91Å; L115-Y158 HydrophobicContact CB-CD1 3.86Å; L115-Y158 HydrophobicContact CB-CE1 4.05Å; L115-Y158 HydrophobicContact CD1-CE1 4.35Å; L115-Y158 CarbonylContact O-C 3.55Å; L115-Y158 VanDerWaalsContact O-CA 3.26Å; L115-Y158 WeakPolarHBondContact O-CA 3.39Å; L115-R159 PolarHBondContact O-N 2.94Å
116E84.8Confident78.6Confident100 Ų10060.8 Ų60.847%0.46731%0.305SS..PPolyproline II helixtrans-70.6140.2169-73.6-175.2-171.100111.3Y158 L227E116-Y158 WeakPolarHBondContact O-CD1 3.37Å; E116-L227 WeakPolarHBondContact OE1-CD2 3.32Å
117Y80.7Confident77.3Confident24 Ų2462.7 Ų62.79%0.09432%0.321CS..PPolyproline II helixtrans-62.4131176.8-164-86.3000110.3R119 C161 R163 A164 L262 F264Y117-R119 PolarHBondContact O-N 3.21Å; Y117-C161 WeakPolarHBondContact CB-SG 3.41Å; Y117-C161 VanDerWaalsContact CG-SG 3.51Å; Y117-R163 HydrophobicContact CD1-CB 4.28Å; Y117-R163 HydrophobicContact CE1-CB 4.42Å; Y117-A164 HydrophobicContact CD2-CB 4.05Å; Y117-A164 HydrophobicContact CE2-CB 3.58Å; Y117-L262 HydrophobicContact CD2-CD1 3.88Å; Y117-L262 HydrophobicContact CE2-CD1 4.04Å; Y117-F264 HydrophobicContact CD2-CZ 4.22Å; Y117-F264 HydrophobicContact CE2-CE1 4.26Å; Y117-F264 HydrophobicContact CE2-CE2 4.02Å; Y117-F264 AromaticContact CE2-CZ 3.33Å; Y117-F264 HydrophobicContact CE2-CZ 3.33Å; Y117-F264 AromaticContact CZ-CZ 3.69Å
118P76.3Confident76.5Confident20 Ų2071.3 Ų71.313%0.1336%0.359CS..PPolyproline II helixtrans-57.4134-174.9-19.628.2000112.1T120 R126 Y158P118-T120 VanDerWaalsContact C-N 3.26Å; P118-T120 PolarHBondContact O-N 3.32Å; P118-R126 HydrophobicContact CB-CG 4.46Å; P118-R126 HydrophobicContact CG-CG 3.8Å; P118-Y158 HydrophobicContact CG-CE1 4.05Å
119R68.8Low76.2Confident189 Ų18973.9 Ų73.971%0.71337%0.371SS*.SBendtrans-72.1-18.8176.6-64.8-174.3-174-1750.7113.3Y117Y117-R119 PolarHBondContact O-N 3.21Å
120T66Low76.3Confident78 Ų7871.4 Ų71.448%0.47936%0.361SS..SBendtrans-124.3144.9-178.362.30000110.8P118 A122P118-T120 VanDerWaalsContact C-N 3.26Å; P118-T120 PolarHBondContact O-N 3.32Å; T120-A122 PolarHBondContact O-N 2.9Å; T120-A122 VanDerWaalsContact O-N 3.15Å
121N60.1Low76.2Confident117 Ų11772.6 Ų72.663%0.62637%0.368SS*.  trans-73.14.1175.7-74.9-20.1000113.4K123N121-K123 PolarHBondContact O-N 3.39Å
122A59.4Low76Confident54 Ų5472.4 Ų72.445%0.44637%0.367SS..  trans-67.1107.6179.700000110T120 N124 A125T120-A122 PolarHBondContact O-N 2.9Å; T120-A122 VanDerWaalsContact O-N 3.15Å; A122-N124 PolarHBondContact O-N 3.49Å; A122-A125 HydrophobicContact CB-CB 4.47Å; A122-A125 PolarHBondContact O-N 2.8Å
123K55.8Low76Confident167 Ų16772.4 Ų72.473%0.72637%0.367SS*.G310 helixtrans-51-31-179.3-69-172.6177.4-172.10113.3N121 A125N121-K123 PolarHBondContact O-N 3.39Å; K123-A125 VanDerWaalsContact C-N 3.32Å; K123-A125 PolarHBondContact O-N 3.18Å
124N56.3Low75.9Confident164 Ų16470.2 Ų70.288%0.87736%0.359SS*.G310 helixtrans-75.2-12.9-178.4-64.8-11.6000114.7A122A122-N124 PolarHBondContact O-N 3.49Å
125A57.9Low75.8Confident68 Ų6870.7 Ų70.756%0.56236%0.361SS*.G310 helixtrans-93.2-3.2-178.500000113.8A122 K123A122-A125 HydrophobicContact CB-CB 4.47Å; A122-A125 PolarHBondContact O-N 2.8Å; K123-A125 VanDerWaalsContact C-N 3.32Å; K123-A125 PolarHBondContact O-N 3.18Å
126R64.6Low75.6Confident77 Ų7770.3 Ų70.329%0.29136%0.364SS..SBendtrans-79.6136.4-178.7-63.2-171177.8-178.2-3.9110.5P118 K128P118-R126 HydrophobicContact CB-CG 4.46Å; P118-R126 HydrophobicContact CG-CG 3.8Å; R126-K128 PolarHBondContact O-N 2.87Å
127S68Low75.7Confident58 Ų5866.2 Ų66.241%0.40634%0.344SS..  trans-57.9135.3171.8-174.50000109.3L115 H129 P156L115-S127 VanDerWaalsContact CD1-CB 3.43Å; S127-H129 VanDerWaalsContact C-N 3.32Å; S127-H129 PolarHBondContact OG-O 3.29Å; S127-P156 WeakPolarHBondContact O-CG 3.43Å
128K74.4Confident75.9Confident182 Ų18266.5 Ų66.579%0.79135%0.346SS*.SBendtrans-75.9-23-178.7-65.7-176.7179.8179.80112.7R126R126-K128 PolarHBondContact O-N 2.87Å
129H84.9Confident76Confident55 Ų5565.9 Ų65.926%0.25534%0.342SS..  trans-157.1166.7-176.866.1-76.1000111.8S127 R153 H154S127-H129 VanDerWaalsContact C-N 3.32Å; S127-H129 PolarHBondContact OG-O 3.29Å; H129-R153 HydrophobicContact CB-CB 4.26Å; H129-R153 PolarHBondContact NE2-NE 2.93Å; H129-H154 CarbonylContact C-O 3.51Å; H129-H154 WeakPolarHBondContact CA-O 3.36Å; H129-H154 VanDerWaalsContact CB-O 3.26Å; H129-H154 WeakPolarHBondContact CB-O 3.36Å
130V89.1Confident76.1Confident10 Ų1059.5 Ų59.56%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-119.3149.5163.666.90000108.7A112 H154 W1227A112-V130 HydrophobicContact CB-CG1 4.29Å; A112-V130 HydrophobicContact CB-CG2 4.07Å; V130-H154 HydrophobicContact CG1-CB 4Å; V130-H154 PolarHBondContact N-O 3.42Å; V130-H154 PolarHBondContact O-N 3.37Å; V130-W1227 HydrophobicContact CG1-CZ2 3.85Å
131I90.4Very high76.1Confident42 Ų4257.8 Ų57.822%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-81.5120.1171.3-57.3-61.1000108V151 R153 L1244I131-V151 HydrophobicContact CG2-CG1 3.57Å; I131-R153 HydrophobicContact CD1-CG 4.05Å; I131-L1244 HydrophobicContact CG2-CD2 3.91Å
132A92Very high76.2Confident0 Ų057.8 Ų57.80%031%0.314CS..EExtended strand (participates in β ladder)trans-108.8139.5175.200000109.6W110 Y111 V151 Q152 H154 W1227W110-A132 HydrophobicContact CB-CB 4.19Å; W110-A132 HydrophobicContact CD2-CB 4.45Å; W110-A132 HydrophobicContact CE3-CB 4.05Å; W110-A132 HydrophobicContact CG-CB 4.49Å; Y111-A132 VanDerWaalsContact O-CA 3.3Å; Y111-A132 WeakPolarHBondContact O-CA 3.33Å; A132-V151 WeakPolarHBondContact O-CA 3.43Å; A132-Q152 HydrophobicContact CB-CG 4.41Å; A132-Q152 PolarHBondContact N-O 2.8Å; A132-Q152 PolarHBondContact O-N 2.84Å; A132-H154 HydrophobicContact CB-CB 4.01Å; A132-W1227 HydrophobicContact CB-CH2 4.21Å
133F92.6Very high76.7Confident0 Ų059.6 Ų59.60%032%0.316CS..EExtended strand (participates in β ladder)trans-139.5159177.661.8-83.8000113L99 Y104 W110 Y111 F135 V149 S150 V151 L1244 L1248L99-F133 HydrophobicContact CD1-CE2 3.99Å; L99-F133 HydrophobicContact CD1-CZ 4.17Å; L99-F133 HydrophobicContact CD2-CZ 4.41Å; Y104-F133 AromaticContact CD1-CE1 3.66Å; Y104-F133 HydrophobicContact CD1-CE1 3.66Å; Y104-F133 AromaticContact CD1-CZ 3.85Å; Y104-F133 HydrophobicContact CD1-CZ 3.85Å; Y104-F133 AromaticContact CE1-CE1 3.61Å; Y104-F133 HydrophobicContact CE1-CE1 3.61Å; Y104-F133 HydrophobicContact CE1-CZ 4.04Å; Y104-F133 HydrophobicContact CG-CZ 4.41Å; W110-F133 CarbonylContact C-O 3.55Å; W110-F133 WeakPolarHBondContact CA-O 3.14Å; Y111-F133 VanDerWaalsContact CB-CZ 3.45Å; Y111-F133 HydrophobicContact CD2-CD2 4.33Å; Y111-F133 HydrophobicContact CD2-CE2 4.17Å; Y111-F133 WeakPolarHBondContact CD2-O 3.44Å; Y111-F133 HydrophobicContact CG-CD2 4.45Å; Y111-F133 AromaticContact CG-CE2 3.95Å; Y111-F133 HydrophobicContact CG-CE2 3.95Å; Y111-F133 HydrophobicContact CG-CZ 4.22Å; Y111-F133 PolarHBondContact N-O 2.87Å; Y111-F133 WeakPolarHBondContact O-CD1 3.44Å; Y111-F133 PolarHBondContact O-N 2.83Å; F133-F135 HydrophobicContact CD2-CE2 4.01Å; F133-F135 AromaticContact CD2-CZ 3.98Å; F133-F135 HydrophobicContact CD2-CZ 3.98Å; F133-F135 AromaticContact CE2-CE2 3.72Å; F133-F135 HydrophobicContact CE2-CE2 3.72Å; F133-F135 AromaticContact CE2-CZ 3.7Å; F133-F135 HydrophobicContact CE2-CZ 3.7Å; F133-V149 HydrophobicContact CB-CG1 4.2Å; F133-V149 HydrophobicContact CD2-CG1 4.48Å; F133-S150 CarbonylContact C-O 3.56Å; F133-S150 WeakPolarHBondContact CA-O 3.01Å; F133-S150 WeakPolarHBondContact CB-O 3.35Å; F133-V151 HydrophobicContact CB-CG2 4.19Å; F133-L1244 HydrophobicContact CB-CD2 3.71Å; F133-L1244 HydrophobicContact CD1-CD1 4.07Å; F133-L1244 HydrophobicContact CD1-CD2 3.74Å; F133-L1244 HydrophobicContact CD1-CG 4.44Å; F133-L1244 HydrophobicContact CE1-CD1 4.17Å; F133-L1244 HydrophobicContact CG-CD2 3.83Å; F133-L1248 HydrophobicContact CD2-CD1 3.81Å; F133-L1248 HydrophobicContact CE1-CD2 4.41Å; F133-L1248 HydrophobicContact CE2-CD1 3.81Å; F133-L1248 HydrophobicContact CE2-CD2 3.68Å; F133-L1248 HydrophobicContact CE2-CG 4.41Å; F133-L1248 HydrophobicContact CG-CD1 4.32Å; F133-L1248 HydrophobicContact CZ-CD1 4.33Å; F133-L1248 HydrophobicContact CZ-CD2 3.63Å
134C90.9Very high77.6Confident21 Ų2155.3 Ų55.314%0.14230%0.301CS..EExtended strand (participates in β ladder)trans-143.8158.9175.370.90000111.5K109 W110 V149 S150K109-C134 WeakPolarHBondContact O-CB 3.28Å; W110-C134 HydrophobicContact CD2-CB 4.4Å; W110-C134 HydrophobicContact CE3-CB 4.03Å; W110-C134 HydrophobicContact CZ3-CB 4.13Å; C134-V149 WeakPolarHBondContact O-CA 3.31Å; C134-S150 PolarHBondContact N-O 2.82Å; C134-S150 PolarHBondContact O-N 3.08Å
135F89.6Confident78.8Confident15 Ų1549.9 Ų49.97%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-109.1142.8-179.3-58.7-81.3000110.9I95 L99 Y111 F133 F137 V147 T148 V149 L1248 L1252I95-F135 HydrophobicContact CG2-CD2 4.15Å; I95-F135 HydrophobicContact CG2-CE2 3.68Å; I95-F135 HydrophobicContact CG2-CZ 4.2Å; L99-F135 HydrophobicContact CD1-CE2 3.85Å; L99-F135 HydrophobicContact CD1-CZ 4.33Å; Y111-F135 HydrophobicContact CD2-CD2 4.1Å; Y111-F135 HydrophobicContact CD2-CE2 4.02Å; Y111-F135 AromaticContact CE2-CD2 3.63Å; Y111-F135 HydrophobicContact CE2-CD2 3.63Å; Y111-F135 AromaticContact CE2-CE2 3.86Å; Y111-F135 HydrophobicContact CE2-CE2 3.86Å; F133-F135 HydrophobicContact CD2-CE2 4.01Å; F133-F135 AromaticContact CD2-CZ 3.98Å; F133-F135 HydrophobicContact CD2-CZ 3.98Å; F133-F135 AromaticContact CE2-CE2 3.72Å; F133-F135 HydrophobicContact CE2-CE2 3.72Å; F133-F135 AromaticContact CE2-CZ 3.7Å; F133-F135 HydrophobicContact CE2-CZ 3.7Å; F135-F137 HydrophobicContact CB-CE2 4.13Å; F135-V147 HydrophobicContact CB-CG2 4Å; F135-V147 HydrophobicContact CD1-CG2 3.74Å; F135-V147 HydrophobicContact CG-CG2 4.33Å; F135-T148 WeakPolarHBondContact CA-O 3.43Å; F135-V149 HydrophobicContact CD1-CG2 3.76Å; F135-V149 HydrophobicContact CE1-CG2 3.8Å; F135-L1248 HydrophobicContact CE1-CD1 4.43Å; F135-L1248 HydrophobicContact CZ-CD1 4.24Å; F135-L1252 HydrophobicContact CE1-CD1 4.19Å; F135-L1252 HydrophobicContact CE1-CD2 4.16Å; F135-L1252 HydrophobicContact CZ-CD2 4.26Å
136A85.9Confident80.1Confident35 Ų3547.6 Ų47.629%0.28925%0.254SS..EExtended strand (participates in β ladder)trans-132.9133.2163.900000109.7V147 T148A136-V147 CarbonylContact O-C 3.59Å; A136-V147 WeakPolarHBondContact O-CA 3.29Å; A136-T148 PolarHBondContact N-O 3.3Å; A136-T148 PolarHBondContact O-N 2.97Å; A136-T148 PolarHBondContact O-OG1 3.11Å
137F86.5Confident81Confident15 Ų1546.7 Ų46.77%0.06626%0.257CS..EExtended strand (participates in β ladder)trans-104.8147.5-177.2-68.5-86000111.1F88 L91 H92 I95 F135 V145 C146 V147 S1049F88-F137 HydrophobicContact CB-CB 4.22Å; F88-F137 HydrophobicContact CB-CD2 4.47Å; F88-F137 HydrophobicContact CD1-CB 3.46Å; F88-F137 VanDerWaalsContact CD1-CB 3.46Å; F88-F137 HydrophobicContact CD1-CG 4.11Å; F88-F137 HydrophobicContact CD2-CB 4.06Å; F88-F137 HydrophobicContact CE1-CB 3.69Å; F88-F137 HydrophobicContact CE2-CB 4.25Å; F88-F137 HydrophobicContact CG-CB 3.65Å; F88-F137 HydrophobicContact CG-CG 4.41Å; F88-F137 HydrophobicContact CZ-CB 4.07Å; L91-F137 HydrophobicContact CB-CE1 4.46Å; L91-F137 HydrophobicContact CB-CE2 4.3Å; L91-F137 HydrophobicContact CB-CZ 4.1Å; L91-F137 HydrophobicContact CD1-CD1 4.09Å; L91-F137 HydrophobicContact CD1-CE1 4.02Å; L91-F137 HydrophobicContact CD1-CZ 4.47Å; H92-F137 AromaticContact CE1-CD2 3.42Å; H92-F137 VanDerWaalsContact CE1-CD2 3.42Å; H92-F137 WeakPolarHBondContact CE1-CD2 3.19Å; H92-F137 AromaticContact CE1-CE2 3.37Å; H92-F137 WeakPolarHBondContact CE1-CE2 3.48Å; H92-F137 AromaticContact ND1-CD2 3.62Å; H92-F137 AromaticContact ND1-CE2 3.45Å; H92-F137 WeakPolarHBondContact ND1-CE2 3.34Å; I95-F137 HydrophobicContact CD1-CE2 4.26Å; I95-F137 HydrophobicContact CD1-CZ 3.6Å; F135-F137 HydrophobicContact CB-CE2 4.13Å; F137-V145 HydrophobicContact CD1-CG1 3.76Å; F137-C146 WeakPolarHBondContact CA-O 3.26Å; F137-V147 HydrophobicContact CD1-CB 3.78Å; F137-V147 HydrophobicContact CD1-CG2 3.94Å; F137-V147 HydrophobicContact CE1-CB 3.63Å; F137-V147 HydrophobicContact CE1-CG2 3.63Å; F137-V147 HydrophobicContact CE2-CG2 4.29Å; F137-V147 HydrophobicContact CG-CG2 4.41Å; F137-V147 HydrophobicContact CZ-CB 4.31Å; F137-V147 HydrophobicContact CZ-CG2 3.81Å; F137-S1049 PolarHBondContact O-N 3.19Å
138F83.9Confident81.8Confident30 Ų3047 Ų4713%0.13226%0.256CS..EExtended strand (participates in β ladder)trans-146.5151.6170.464.1-80.8000110.6H140 C146 T148 D1048 I1050F138-H140 HydrophobicContact CD2-CB 4.27Å; F138-H140 HydrophobicContact CE2-CB 3.97Å; F138-C146 HydrophobicContact CD1-CB 3.85Å; F138-C146 HydrophobicContact CD2-CB 3.96Å; F138-C146 HydrophobicContact CE1-CB 3.35Å; F138-C146 HydrophobicContact CE2-CB 3.5Å; F138-C146 HydrophobicContact CG-CB 4.13Å; F138-C146 HydrophobicContact CZ-CB 3.18Å; F138-C146 PolarHBondContact N-O 3.4Å; F138-C146 PolarHBondContact O-N 2.66Å; F138-T148 HydrophobicContact CD1-CG2 4.27Å; F138-T148 HydrophobicContact CE1-CG2 3.68Å; F138-D1048 WeakPolarHBondContact CA-OD1 3.43Å; F138-D1048 WeakPolarHBondContact CB-OD1 3.21Å; F138-I1050 HydrophobicContact CB-CB 4.42Å; F138-I1050 HydrophobicContact CD2-CD1 4.37Å
139V78.5Confident82.3Confident6 Ų640 Ų404%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-89127170.7-179.40000108.6R84 F88 N144 V145 D1048R84-V139 HydrophobicContact CG-CG2 4.05Å; F88-V139 HydrophobicContact CE1-CG2 4.2Å; F88-V139 HydrophobicContact CZ-CG2 3.81Å; V139-N144 WeakPolarHBondContact CA-O 3.3Å; V139-V145 HydrophobicContact CG2-CG2 4.48Å; V139-D1048 PolarHBondContact N-OD1 2.74Å
140H71.7Confident82.3Confident55 Ų5539.5 Ų39.526%0.25523%0.231SC..EExtended strand (participates in β ladder)trans-110.9127.1171.4-170.9-59.4000110.5F138 N144 C1282F138-H140 HydrophobicContact CD2-CB 4.27Å; F138-H140 HydrophobicContact CE2-CB 3.97Å; H140-N144 PolarHBondContact N-O 2.66Å; H140-N144 WeakPolarHBondContact O-CB 3.39Å; H140-N144 PolarHBondContact O-N 2.72Å; H140-C1282 VanDerWaalsContact CE1-CB 3.43Å; H140-C1282 WeakPolarHBondContact CE1-CB 3.31Å; H140-C1282 PolarHBondContact CE1-SG 2.77Å; H140-C1282 PolarHBondContact ND1-SG 3Å
141G65.2Low82.2Confident42 Ų4239.3 Ų39.343%0.43323%0.23SC..THydrogen-bonded Turntrans67.5-144.8-175.300000111
142E63.2Low81.9Confident118 Ų11837.8 Ų37.855%0.55122%0.222SC*.THydrogen-bonded Turntrans-89.6-37.7-176.6-67.8172.5179.400112.5W75 R1285W75-E142 PolarHBondContact NE1-O 3.48Å; W75-E142 VanDerWaalsContact NE1-O 3.11Å; E142-R1285 IonicContact OE1-CZ 3.09Å; E142-R1285 IonicContact OE1-NH1 2.92Å; E142-R1285 IonicContact OE1-NH2 3.94Å; E142-R1285 PolarHBondContact OE1-NH2 2.96Å; E142-R1285 IonicContact OE2-CZ 2.88Å; E142-R1285 IonicContact OE2-NH2 2.61Å; E142-R1285 PolarHBondContact OE2-NH2 2.88Å
143N69.8Low81.7Confident92 Ų9240.2 Ų40.249%0.49223%0.231SC..THydrogen-bonded Turntrans-129.90.2-163.6-60.5-18000115.5
144N75.1Confident81.4Confident77 Ų7740.2 Ų40.241%0.41223%0.231SC..EExtended strand (participates in β ladder)trans-103.5123.2-176.4-63.4-45.7000111.3V139 H140V139-N144 WeakPolarHBondContact CA-O 3.3Å; H140-N144 PolarHBondContact N-O 2.66Å; H140-N144 WeakPolarHBondContact O-CB 3.39Å; H140-N144 PolarHBondContact O-N 2.72Å
145V81.1Confident81.1Confident50 Ų5042.8 Ų42.830%0.30324%0.242SC..EExtended strand (participates in β ladder)trans-91.3119.2166.9176.90000108.4W75 L87 F88 L91 F137 V139W75-V145 HydrophobicContact CH2-CG2 3.58Å; W75-V145 HydrophobicContact CZ2-CG2 3.84Å; L87-V145 HydrophobicContact CD2-CG2 4.17Å; F88-V145 HydrophobicContact CD1-CG1 4.46Å; F88-V145 HydrophobicContact CE1-CG1 3.95Å; F88-V145 HydrophobicContact CE1-CG2 4.44Å; L91-V145 HydrophobicContact CD1-CG1 4.04Å; F137-V145 HydrophobicContact CD1-CG1 3.76Å; V139-V145 HydrophobicContact CG2-CG2 4.48Å
146C84.2Confident81Confident20 Ų2042.6 Ų42.614%0.13524%0.242CC..EExtended strand (participates in β ladder)trans-103.1151.7176.2-63.80000110F137 F138F137-C146 WeakPolarHBondContact CA-O 3.26Å; F138-C146 HydrophobicContact CD1-CB 3.85Å; F138-C146 HydrophobicContact CD2-CB 3.96Å; F138-C146 HydrophobicContact CE1-CB 3.35Å; F138-C146 HydrophobicContact CE2-CB 3.5Å; F138-C146 HydrophobicContact CG-CB 4.13Å; F138-C146 HydrophobicContact CZ-CB 3.18Å; F138-C146 PolarHBondContact N-O 3.4Å; F138-C146 PolarHBondContact O-N 2.66Å
147V85.2Confident81.2Confident58 Ų5841 Ų4135%0.35223%0.229SC..EExtended strand (participates in β ladder)trans-127.7132.217665.80000109.8F135 A136 F137F135-V147 HydrophobicContact CB-CG2 4Å; F135-V147 HydrophobicContact CD1-CG2 3.74Å; F135-V147 HydrophobicContact CG-CG2 4.33Å; A136-V147 CarbonylContact O-C 3.59Å; A136-V147 WeakPolarHBondContact O-CA 3.29Å; F137-V147 HydrophobicContact CD1-CB 3.78Å; F137-V147 HydrophobicContact CD1-CG2 3.94Å; F137-V147 HydrophobicContact CE1-CB 3.63Å; F137-V147 HydrophobicContact CE1-CG2 3.63Å; F137-V147 HydrophobicContact CE2-CG2 4.29Å; F137-V147 HydrophobicContact CG-CG2 4.41Å; F137-V147 HydrophobicContact CZ-CB 4.31Å; F137-V147 HydrophobicContact CZ-CG2 3.81Å
148T84.1Confident81.4Confident63 Ų6340.7 Ų40.739%0.38723%0.227SC..EExtended strand (participates in β ladder)trans-100.4143.8166.164.40000109.3F135 A136 F138F135-T148 WeakPolarHBondContact CA-O 3.43Å; A136-T148 PolarHBondContact N-O 3.3Å; A136-T148 PolarHBondContact O-N 2.97Å; A136-T148 PolarHBondContact O-OG1 3.11Å; F138-T148 HydrophobicContact CD1-CG2 4.27Å; F138-T148 HydrophobicContact CE1-CG2 3.68Å
149V85.3Confident81.6Confident35 Ų3543.6 Ų43.621%0.21224%0.237CC..EExtended strand (participates in β ladder)trans-121.4115.1178.4-174.30000108.6F133 C134 F135 V151 L1245 L1248F133-V149 HydrophobicContact CB-CG1 4.2Å; F133-V149 HydrophobicContact CD2-CG1 4.48Å; C134-V149 WeakPolarHBondContact O-CA 3.31Å; F135-V149 HydrophobicContact CD1-CG2 3.76Å; F135-V149 HydrophobicContact CE1-CG2 3.8Å; V149-V151 HydrophobicContact CG1-CG2 4.04Å; V149-L1245 HydrophobicContact CB-CD2 3.74Å; V149-L1245 HydrophobicContact CG1-CD2 4.09Å; V149-L1245 HydrophobicContact CG2-CD2 3.87Å; V149-L1248 HydrophobicContact CG1-CD1 4.25Å
150S83.9Confident82Confident45 Ų4544.1 Ų44.132%0.31524%0.24SC..EExtended strand (participates in β ladder)trans-90.5135.7172.6-64.20000109.6F133 C134F133-S150 CarbonylContact C-O 3.56Å; F133-S150 WeakPolarHBondContact CA-O 3.01Å; F133-S150 WeakPolarHBondContact CB-O 3.35Å; C134-S150 PolarHBondContact N-O 2.82Å; C134-S150 PolarHBondContact O-N 3.08Å
151V86.4Confident82.7Confident6 Ų643 Ų434%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-130.3134.6-175.9-171.90000110.3I131 A132 F133 V149 S1236 T1241 L1244 R1822I131-V151 HydrophobicContact CG2-CG1 3.57Å; A132-V151 WeakPolarHBondContact O-CA 3.43Å; F133-V151 HydrophobicContact CB-CG2 4.19Å; V149-V151 HydrophobicContact CG1-CG2 4.04Å; V151-S1236 WeakPolarHBondContact CG1-OG 3.38Å; V151-S1236 PolarHBondContact O-OG 3.21Å; V151-T1241 HydrophobicContact CB-CG2 4.1Å; V151-T1241 HydrophobicContact CG2-CG2 3.85Å; V151-L1244 HydrophobicContact CB-CD2 4.27Å; V151-L1244 HydrophobicContact CG1-CD2 3.58Å; V151-L1244 HydrophobicContact CG2-CD2 3.63Å; V151-R1822 PolarHBondContact O-NH1 3.36Å; V151-R1822 VanDerWaalsContact O-NH1 3.09Å; V151-R1822 PolarHBondContact O-NH2 2.87Å
152Q85.6Confident83.4Confident10 Ų1046 Ų465%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-152162.7-179.657.2179.2400112.8W110 A132 H154 S1230W110-Q152 VanDerWaalsContact CD2-NE2 3.3Å; W110-Q152 HydrophobicContact CE3-CG 4.01Å; W110-Q152 HydrophobicContact CH2-CG 3.78Å; W110-Q152 HydrophobicContact CZ2-CG 4.37Å; W110-Q152 HydrophobicContact CZ3-CG 3.56Å; A132-Q152 HydrophobicContact CB-CG 4.41Å; A132-Q152 PolarHBondContact N-O 2.8Å; A132-Q152 PolarHBondContact O-N 2.84Å; Q152-H154 PolarHBondContact NE2-CD2 2.98Å; Q152-H154 PolarHBondContact NE2-NE2 2.89Å; Q152-S1230 PolarHBondContact NE2-O 3.22Å
153R87Confident84.1Confident51 Ų5146.5 Ų46.519%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-90.8126.6175.2-63.8-175174.5133.9-12.4110.1H129 I131 S1232 D1234 M1235 E1240H129-R153 HydrophobicContact CB-CB 4.26Å; H129-R153 PolarHBondContact NE2-NE 2.93Å; I131-R153 HydrophobicContact CD1-CG 4.05Å; R153-S1232 WeakPolarHBondContact O-CB 3.17Å; R153-S1232 PolarHBondContact O-OG 2.88Å; R153-D1234 PolarHBondContact N-O 3.47Å; R153-M1235 PolarHBondContact NH1-O 2.79Å; R153-E1240 IonicContact CZ-OE1 3.49Å; R153-E1240 IonicContact CZ-OE2 2.79Å; R153-E1240 IonicContact NE-OE1 3.17Å; R153-E1240 IonicContact NE-OE2 3.5Å; R153-E1240 PolarHBondContact NE-OE2 3.04Å; R153-E1240 IonicContact NH2-OE1 3.64Å; R153-E1240 PolarHBondContact NH2-OE1 3.35Å; R153-E1240 IonicContact NH2-OE2 3.18Å; R153-E1240 PolarHBondContact NH2-OE2 3.28Å
154H86.1Confident84.6Confident0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-119.1163.4-179.2-97.5-129.6000112.2H129 V130 A132 Q152 F1181 W1227 S1230H129-H154 CarbonylContact C-O 3.51Å; H129-H154 WeakPolarHBondContact CA-O 3.36Å; H129-H154 VanDerWaalsContact CB-O 3.26Å; H129-H154 WeakPolarHBondContact CB-O 3.36Å; V130-H154 HydrophobicContact CG1-CB 4Å; V130-H154 PolarHBondContact N-O 3.42Å; V130-H154 PolarHBondContact O-N 3.37Å; A132-H154 HydrophobicContact CB-CB 4.01Å; Q152-H154 PolarHBondContact NE2-CD2 2.98Å; Q152-H154 PolarHBondContact NE2-NE2 2.89Å; H154-F1181 AromaticContact CD2-CE1 3.85Å; H154-F1181 AromaticContact NE2-CE1 3.9Å; H154-W1227 HydrophobicContact CB-CZ2 3.66Å; H154-W1227 PolarHBondContact CE1-O 3.09Å; H154-W1227 VanDerWaalsContact CE1-O 3.3Å; H154-W1227 AromaticContact CG-CZ2 3.97Å; H154-W1227 AromaticContact ND1-CD2 3.66Å; H154-W1227 AromaticContact ND1-CE2 3.34Å; H154-W1227 VanDerWaalsContact ND1-CE2 3.34Å; H154-W1227 AromaticContact ND1-CZ2 3.57Å; H154-W1227 AromaticContact ND1-NE1 3.68Å; H154-S1230 PolarHBondContact CE1-O 2.89Å; H154-S1230 VanDerWaalsContact CE1-O 3.25Å; H154-S1230 PolarHBondContact NE2-O 2.82Å; H154-S1230 VanDerWaalsContact NE2-O 3.1Å
155M85Confident84.9Confident76 Ų7639.6 Ų39.637%0.37420%0.195SC..PPolyproline II helixtrans-59.5137.3171.1-171.770.799.200109I157 F1181 W1227M155-I157 PolarHBondContact O-N 3.06Å; M155-F1181 HydrophobicContact CB-CE2 4.44Å; M155-F1181 HydrophobicContact CB-CZ 4.3Å; M155-W1227 PolarHBondContact O-NE1 3.03Å
156P87Confident84.7Confident11 Ų1141.1 Ų41.17%0.07121%0.213CC..PPolyproline II helixtrans-59.7133.2-178.925.5-37.4000112.4L115 S127 Y158L115-P156 HydrophobicContact CD1-CB 3.7Å; S127-P156 WeakPolarHBondContact O-CG 3.43Å; P156-Y158 HydrophobicContact CB-CE2 3.81Å; P156-Y158 HydrophobicContact CG-CE2 3.97Å
157I89.8Confident84.1Confident1 Ų146 Ų461%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-102.1136164.9-64.1-179.1000107.8F107 P114 L115 M155 I174 L262 T263 W1227F107-I157 HydrophobicContact CD2-CD1 3.68Å; F107-I157 HydrophobicContact CE2-CD1 3.62Å; F107-I157 HydrophobicContact CE2-CG2 4.28Å; F107-I157 HydrophobicContact CG-CD1 4.18Å; F107-I157 HydrophobicContact CZ-CD1 4.06Å; F107-I157 HydrophobicContact CZ-CG2 4.09Å; P114-I157 CarbonylContact C-O 3.55Å; P114-I157 WeakPolarHBondContact CA-O 3.12Å; P114-I157 HydrophobicContact CB-CG2 4.29Å; L115-I157 PolarHBondContact N-O 2.91Å; M155-I157 PolarHBondContact O-N 3.06Å; I157-I174 HydrophobicContact CD1-CD1 4.46Å; I157-I174 HydrophobicContact CD1-CG2 4.36Å; I157-I174 HydrophobicContact CG2-CG2 4.43Å; I157-L262 WeakPolarHBondContact CA-O 3.32Å; I157-T263 HydrophobicContact CG1-CG2 4.06Å; I157-W1227 HydrophobicContact CD1-CD2 3.44Å; I157-W1227 VanDerWaalsContact CD1-CD2 3.44Å; I157-W1227 HydrophobicContact CD1-CE3 3.62Å; I157-W1227 HydrophobicContact CD1-CG 4.12Å; I157-W1227 HydrophobicContact CD1-CH2 3.68Å; I157-W1227 HydrophobicContact CD1-CZ2 3.43Å; I157-W1227 VanDerWaalsContact CD1-CZ2 3.43Å; I157-W1227 HydrophobicContact CD1-CZ3 3.76Å; I157-W1227 HydrophobicContact CG1-CD2 4.16Å; I157-W1227 HydrophobicContact CG1-CZ2 3.85Å
158Y90.7Very high83.8Confident8 Ų847.2 Ų47.23%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-109149.9178-60-90.5000111.8L115 E116 P118 P156 L262 F264L115-Y158 HydrophobicContact CB-CD1 3.86Å; L115-Y158 HydrophobicContact CB-CE1 4.05Å; L115-Y158 HydrophobicContact CD1-CE1 4.35Å; L115-Y158 CarbonylContact O-C 3.55Å; L115-Y158 VanDerWaalsContact O-CA 3.26Å; L115-Y158 WeakPolarHBondContact O-CA 3.39Å; E116-Y158 WeakPolarHBondContact O-CD1 3.37Å; P118-Y158 HydrophobicContact CG-CE1 4.05Å; P156-Y158 HydrophobicContact CB-CE2 3.81Å; P156-Y158 HydrophobicContact CG-CE2 3.97Å; Y158-L262 PolarHBondContact N-O 3.21Å; Y158-L262 PolarHBondContact O-N 3.15Å; Y158-F264 AromaticContact CD2-CD2 3.62Å; Y158-F264 HydrophobicContact CD2-CD2 3.62Å; Y158-F264 AromaticContact CD2-CE2 3.5Å; Y158-F264 HydrophobicContact CD2-CE2 3.5Å; Y158-F264 VanDerWaalsContact CD2-CE2 3.5Å; Y158-F264 AromaticContact CE2-CD2 3.51Å; Y158-F264 HydrophobicContact CE2-CD2 3.51Å; Y158-F264 AromaticContact CE2-CE2 3.62Å; Y158-F264 HydrophobicContact CE2-CE2 3.62Å; Y158-F264 HydrophobicContact CG-CE2 4.19Å
159R89.2Confident83.5Confident91 Ų9147.2 Ų47.234%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-66.5138.9168.7-66.8-174178.2158.10.3110.1H113 P114 L115 C161H113-R159 PolarHBondContact CE1-NH2 3.42Å; H113-R159 PolarHBondContact NE2-NH2 3.19Å; H113-R159 VanDerWaalsContact NE2-NH2 3.16Å; P114-R159 HydrophobicContact CB-CG 3.76Å; L115-R159 PolarHBondContact O-N 2.94Å; R159-C161 PolarHBondContact O-N 3.32Å
160L87Confident83.5Confident18 Ų1852.9 Ų52.99%0.09426%0.261CS..  trans-61.3130.7172.9-163.967.6000110F165 V173 L240 I244 T257 V260 L262L160-F165 HydrophobicContact CD1-CE2 3.82Å; L160-F165 HydrophobicContact CD1-CZ 3.69Å; L160-F165 HydrophobicContact CD2-CE2 4.35Å; L160-F165 HydrophobicContact CD2-CZ 4.21Å; L160-F165 HydrophobicContact CG-CE2 4.02Å; L160-F165 HydrophobicContact CG-CZ 4.17Å; L160-V173 HydrophobicContact CD1-CG1 4.31Å; L160-L240 HydrophobicContact CB-CD1 4.47Å; L160-L240 HydrophobicContact CD2-CD1 4.26Å; L160-L240 HydrophobicContact CG-CD1 3.95Å; L160-I244 HydrophobicContact CD2-CD1 3.9Å; L160-T257 HydrophobicContact CD2-CG2 4.18Å; L160-V260 HydrophobicContact CD2-CB 4.26Å; L160-V260 HydrophobicContact CD2-CG1 4.04Å; L160-L262 HydrophobicContact CD1-CD1 3.9Å; L160-L262 HydrophobicContact CD1-CD2 3.57Å; L160-L262 HydrophobicContact CD1-CG 3.71Å
161C85.2Confident83.6Confident30 Ų3051.8 Ų51.820%0.20325%0.251CS..  trans-145.9157.917774.10000110.6Y117 R159 R163 A164 F165Y117-C161 WeakPolarHBondContact CB-SG 3.41Å; Y117-C161 VanDerWaalsContact CG-SG 3.51Å; R159-C161 PolarHBondContact O-N 3.32Å; C161-R163 PolarHBondContact O-N 3.18Å; C161-R163 VanDerWaalsContact O-N 3.13Å; C161-A164 VanDerWaalsContact O-CB 3.29Å; C161-A164 WeakPolarHBondContact O-CB 3.37Å; C161-A164 PolarHBondContact O-N 3.34Å; C161-F165 WeakPolarHBondContact O-CD2 3.26Å
162R80Confident83.7Confident107 Ų10754.1 Ų54.140%0.40427%0.271SS..G310 helixtrans-57.5-31.3-178.4-163.9172-175.7163.22.2112.7A164 F165 P188 V238 L240R162-A164 PolarHBondContact O-N 3.09Å; R162-F165 PolarHBondContact O-N 3.32Å; R162-P188 PolarHBondContact NH2-O 3.11Å; R162-V238 PolarHBondContact NH1-O 2.87Å; R162-L240 HydrophobicContact CB-CG 4.42Å
163R78.7Confident84Confident128 Ų12853.9 Ų53.948%0.48327%0.27SS..G310 helixtrans-63.6-27.8177.4-60.8-175.5-172.7114.68113.2Y117 C161 F165 A166Y117-R163 HydrophobicContact CD1-CB 4.28Å; Y117-R163 HydrophobicContact CE1-CB 4.42Å; C161-R163 PolarHBondContact O-N 3.18Å; C161-R163 VanDerWaalsContact O-N 3.13Å; R163-F165 PolarHBondContact O-N 3.14Å; R163-A166 WeakPolarHBondContact O-CB 3.4Å; R163-A166 PolarHBondContact O-N 3.45Å
164A80Confident84.3Confident2 Ų251.4 Ų51.42%0.01726%0.26CS..G310 helixtrans-62.9-30.2177.800000112.2Y117 C161 R162 L262Y117-A164 HydrophobicContact CD2-CB 4.05Å; Y117-A164 HydrophobicContact CE2-CB 3.58Å; C161-A164 VanDerWaalsContact O-CB 3.29Å; C161-A164 WeakPolarHBondContact O-CB 3.37Å; C161-A164 PolarHBondContact O-N 3.34Å; R162-A164 PolarHBondContact O-N 3.09Å; A164-L262 HydrophobicContact CB-CD1 3.52Å
165F82.1Confident84.7Confident22 Ų2251.4 Ų51.410%0.09626%0.26CS..G310 helixtrans-86.8-5.8-178.5-59.5-80.3000114L160 C161 R162 R163 N167 N168 P169 Q171 V184 V186 L240L160-F165 HydrophobicContact CD1-CE2 3.82Å; L160-F165 HydrophobicContact CD1-CZ 3.69Å; L160-F165 HydrophobicContact CD2-CE2 4.35Å; L160-F165 HydrophobicContact CD2-CZ 4.21Å; L160-F165 HydrophobicContact CG-CE2 4.02Å; L160-F165 HydrophobicContact CG-CZ 4.17Å; C161-F165 WeakPolarHBondContact O-CD2 3.26Å; R162-F165 PolarHBondContact O-N 3.32Å; R163-F165 PolarHBondContact O-N 3.14Å; F165-N167 VanDerWaalsContact C-N 3.26Å; F165-N167 PolarHBondContact O-N 2.89Å; F165-N168 WeakPolarHBondContact CA-O 3.35Å; F165-P169 WeakPolarHBondContact CD1-O 3.38Å; F165-Q171 HydrophobicContact CD1-CB 4.29Å; F165-Q171 HydrophobicContact CE1-CB 3.81Å; F165-Q171 HydrophobicContact CZ-CB 4.48Å; F165-V184 HydrophobicContact CE1-CB 4.36Å; F165-V184 HydrophobicContact CE1-CG1 3.9Å; F165-V184 HydrophobicContact CZ-CB 4.32Å; F165-V184 HydrophobicContact CZ-CG1 3.67Å; F165-V186 HydrophobicContact CD1-CB 4.17Å; F165-V186 HydrophobicContact CD1-CG2 4.26Å; F165-V186 HydrophobicContact CD2-CG2 4.38Å; F165-V186 HydrophobicContact CE1-CB 4.21Å; F165-V186 HydrophobicContact CE1-CG2 3.81Å; F165-V186 HydrophobicContact CE2-CG2 3.94Å; F165-V186 HydrophobicContact CG-CB 4.31Å; F165-V186 HydrophobicContact CZ-CB 4.39Å; F165-V186 HydrophobicContact CZ-CG2 3.62Å; F165-L240 HydrophobicContact CE2-CD1 4.35Å; F165-L240 HydrophobicContact CE2-CD2 4.2Å
166A76.4Confident85Confident81 Ų8147.9 Ų47.967%0.66924%0.243SC*.G310 helixtrans-64.7-30-175.800000113.2R163R163-A166 WeakPolarHBondContact O-CB 3.4Å; R163-A166 PolarHBondContact O-N 3.45Å
167N70.9Confident85.2Confident124 Ų12447.8 Ų47.866%0.66324%0.242SC*.THydrogen-bonded Turntrans-106.8-24.5-178.2-60.8-38000113.4F165F165-N167 VanDerWaalsContact C-N 3.26Å; F165-N167 PolarHBondContact O-N 2.89Å
168N78.6Confident85.2Confident83 Ų8348 Ų4844%0.44424%0.243SC..  trans-144.5111.7178.1-170.7-6.3000108.7F165 R170F165-N168 WeakPolarHBondContact CA-O 3.35Å; N168-R170 PolarHBondContact ND2-O 3.31Å; N168-R170 PolarHBondContact O-N 3.06Å; N168-R170 PolarHBondContact OD1-N 3.46Å; N168-R170 PolarHBondContact OD1-O 3.26Å
169P79.1Confident85.3Confident62 Ų6247.6 Ų47.640%0.40324%0.242SC..SBendtrans-66-22.3-178.827-34.4000112.3F165 N185 V186F165-P169 WeakPolarHBondContact CD1-O 3.38Å; P169-N185 WeakPolarHBondContact O-CA 3.45Å; P169-N185 PolarHBondContact O-OD1 3.5Å; P169-N185 VanDerWaalsContact O-OD1 3.13Å; P169-V186 PolarHBondContact O-N 3.31Å
170R83.8Confident85.4Confident154 Ų15443.5 Ų43.558%0.58123%0.227SC*.EExtended strand (participates in β ladder)trans-103.4122.1174.2-68.5-173.4-178.4-175.71.6110.5N168 N185N168-R170 PolarHBondContact ND2-O 3.31Å; N168-R170 PolarHBondContact O-N 3.06Å; N168-R170 PolarHBondContact OD1-N 3.46Å; N168-R170 PolarHBondContact OD1-O 3.26Å; R170-N185 HydrophobicContact CG-CB 4.24Å
171Q87.2Confident85.6Confident23 Ų2344.2 Ų44.211%0.10723%0.233CC..EExtended strand (participates in β ladder)trans-124.4126.2-176.3-170.355.961.100110.6F165 E183 V184 L262F165-Q171 HydrophobicContact CD1-CB 4.29Å; F165-Q171 HydrophobicContact CE1-CB 3.81Å; F165-Q171 HydrophobicContact CZ-CB 4.48Å; Q171-E183 WeakPolarHBondContact O-CA 3.36Å; Q171-V184 PolarHBondContact N-O 3.41Å; Q171-V184 PolarHBondContact O-N 3.01Å; Q171-L262 HydrophobicContact CB-CD2 4.32Å; Q171-L262 HydrophobicContact CG-CD2 3.06Å; Q171-L262 HydrophobicContact CG-CG 4.49Å
172A88.7Confident85.9Confident55 Ų5543.1 Ų43.146%0.45523%0.227SC..EExtended strand (participates in β ladder)trans-68.6130.7170.100000109.2
173V91.7Very high86.4Confident4 Ų442 Ų422%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-130.6159.4-175.2-63.80000111.6L160 L175 G182 V184 V246 V260 G261 L262L160-V173 HydrophobicContact CD1-CG1 4.31Å; V173-L175 HydrophobicContact CG2-CD2 4.22Å; V173-G182 VanDerWaalsContact CG2-C 3.47Å; V173-G182 VanDerWaalsContact CG2-O 3.26Å; V173-G182 WeakPolarHBondContact CG2-O 3.42Å; V173-G182 PolarHBondContact N-O 2.9Å; V173-G182 PolarHBondContact O-N 3.35Å; V173-V184 HydrophobicContact CB-CG2 4.46Å; V173-V184 HydrophobicContact CG1-CB 4.24Å; V173-V184 HydrophobicContact CG1-CG2 3.88Å; V173-V184 HydrophobicContact CG2-CG2 3.77Å; V173-V246 HydrophobicContact CG2-CG1 4.04Å; V173-V260 HydrophobicContact CB-CG1 3.54Å; V173-V260 HydrophobicContact CG1-CG1 3.55Å; V173-V260 HydrophobicContact CG2-CG1 3.84Å; V173-G261 CarbonylContact C-O 3.59Å; V173-G261 VanDerWaalsContact CA-O 3.27Å; V173-G261 WeakPolarHBondContact CA-O 3.48Å; V173-G261 WeakPolarHBondContact CB-O 3.42Å; V173-L262 HydrophobicContact CG1-CD2 3.95Å
174I93Very high86.9Confident0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-115.3131171.2-176.7176.6000109F107 I157 S179 I180 G261 T263 N1225 W1227F107-I174 HydrophobicContact CB-CD1 4.15Å; F107-I174 HydrophobicContact CD1-CD1 3.7Å; F107-I174 HydrophobicContact CD1-CG1 3.74Å; F107-I174 HydrophobicContact CD1-CG2 4.24Å; F107-I174 HydrophobicContact CE1-CD1 4.35Å; F107-I174 HydrophobicContact CE1-CG1 4.13Å; F107-I174 HydrophobicContact CE1-CG2 3.84Å; F107-I174 HydrophobicContact CG-CD1 4.1Å; F107-I174 HydrophobicContact CZ-CG2 4.44Å; I157-I174 HydrophobicContact CD1-CD1 4.46Å; I157-I174 HydrophobicContact CD1-CG2 4.36Å; I157-I174 HydrophobicContact CG2-CG2 4.43Å; I174-S179 WeakPolarHBondContact CD1-OG 3.12Å; I174-I180 WeakPolarHBondContact CA-O 3.29Å; I174-G261 WeakPolarHBondContact CG2-O 3.48Å; I174-G261 PolarHBondContact N-O 3.37Å; I174-G261 PolarHBondContact O-N 3.05Å; I174-T263 HydrophobicContact CB-CG2 4.49Å; I174-T263 HydrophobicContact CG2-CG2 3.92Å; I174-N1225 HydrophobicContact CD1-CB 4.01Å; I174-N1225 HydrophobicContact CG1-CB 4.07Å; I174-W1227 HydrophobicContact CD1-CB 4.03Å; I174-W1227 HydrophobicContact CD1-CE3 4.48Å
175L94.1Very high87.1Confident0 Ų038.9 Ų38.90%022%0.219CC..EExtended strand (participates in β ladder)trans-99.3123.8-178.5-53.1179.2000111.3V173 W178 S179 I180 V246 V248 Y255 V260V173-L175 HydrophobicContact CG2-CD2 4.22Å; L175-W178 PolarHBondContact O-N 2.89Å; L175-S179 WeakPolarHBondContact O-CA 3.47Å; L175-S179 PolarHBondContact O-N 3.37Å; L175-I180 HydrophobicContact CB-CB 4.2Å; L175-I180 HydrophobicContact CD1-CB 4.32Å; L175-I180 HydrophobicContact CD1-CG2 4.25Å; L175-I180 PolarHBondContact N-O 3.26Å; L175-I180 PolarHBondContact O-N 3.03Å; L175-V246 HydrophobicContact CD1-CG1 4.04Å; L175-V246 HydrophobicContact CD2-CG1 4.02Å; L175-V246 HydrophobicContact CD2-CG2 4.03Å; L175-V246 HydrophobicContact CG-CG1 4.45Å; L175-V248 HydrophobicContact CD1-CG2 3.8Å; L175-Y255 HydrophobicContact CB-CE1 4.11Å; L175-Y255 HydrophobicContact CD2-CD1 4.12Å; L175-Y255 HydrophobicContact CD2-CE1 4.36Å; L175-V260 HydrophobicContact CD2-CB 4.36Å; L175-V260 HydrophobicContact CD2-CG1 4.13Å; L175-V260 HydrophobicContact CD2-CG2 3.83Å
176A92.7Very high86.8Confident1 Ų139.3 Ų39.31%0.00822%0.223CC..THydrogen-bonded Turntrans-79.1146.116800000110.2L105 R106 F107 Y255 F259L105-A176 HydrophobicContact CB-CB 4.25Å; L105-A176 HydrophobicContact CD1-CB 4.44Å; R106-A176 WeakPolarHBondContact O-CB 3.5Å; F107-A176 HydrophobicContact CD1-CB 3.98Å; F107-A176 HydrophobicContact CE1-CB 3.73Å; F107-A176 HydrophobicContact CZ-CB 4.27Å; A176-Y255 WeakPolarHBondContact O-CE1 3.44Å; A176-Y255 PolarHBondContact O-OH 3.49Å; A176-F259 HydrophobicContact CB-CB 4.23Å; A176-F259 HydrophobicContact CB-CD1 4.02Å; A176-F259 PolarHBondContact N-O 3.14Å
177P89.9Confident86.3Confident9 Ų940.1 Ų40.16%0.05822%0.216CC..THydrogen-bonded Turncis-89.2-6.26.730.7-30.2000115.4R106 F107 G108 Y210R106-P177 HydrophobicContact CB-CB 4.21Å; R106-P177 HydrophobicContact CG-CB 4.43Å; R106-P177 CarbonylContact O-C 3.29Å; R106-P177 WeakPolarHBondContact O-CA 3.37Å; F107-P177 CarbonylContact C-O 3.54Å; F107-P177 WeakPolarHBondContact CA-O 3.47Å; G108-P177 PolarHBondContact N-O 2.85Å; P177-Y210 HydrophobicContact CG-CE1 4.36Å
178W89.8Confident85.5Confident6 Ų638.9 Ų38.92%0.02322%0.215CC..THydrogen-bonded Turntrans-100.92.8-162.6-56.2115.3000116.3L175 I180 I1038 S1039 D1044 Y1229L175-W178 PolarHBondContact O-N 2.89Å; W178-I180 VanDerWaalsContact C-N 3.29Å; W178-I180 HydrophobicContact CB-CD1 4.11Å; W178-I180 HydrophobicContact CB-CG1 4.02Å; W178-I180 PolarHBondContact O-N 3.28Å; W178-I1038 HydrophobicContact CB-CG2 4.5Å; W178-I1038 HydrophobicContact CD2-CB 4.08Å; W178-I1038 HydrophobicContact CD2-CG2 3.26Å; W178-I1038 HydrophobicContact CE3-CG2 3.58Å; W178-I1038 HydrophobicContact CG-CB 4.24Å; W178-I1038 HydrophobicContact CG-CD1 4.18Å; W178-I1038 HydrophobicContact CG-CG2 3.66Å; W178-I1038 HydrophobicContact CH2-CG2 4.19Å; W178-I1038 HydrophobicContact CZ2-CB 4.28Å; W178-I1038 HydrophobicContact CZ2-CG2 3.9Å; W178-I1038 HydrophobicContact CZ3-CG2 4.02Å; W178-S1039 VanDerWaalsContact CZ2-CA 3.5Å; W178-D1044 HydrophobicContact CH2-CB 3.55Å; W178-D1044 VanDerWaalsContact CH2-CG 3.46Å; W178-D1044 HydrophobicContact CZ3-CB 3.93Å; W178-Y1229 PolarHBondContact O-OH 3.44Å; W178-Y1229 VanDerWaalsContact O-OH 3.12Å
179S92.4Very high84.3Confident0 Ų043.8 Ų43.80%024%0.235CC..THydrogen-bonded Turntrans61.336.8-177.5-167.70000112.5I174 L175 N1225 G1228I174-S179 WeakPolarHBondContact CD1-OG 3.12Å; L175-S179 WeakPolarHBondContact O-CA 3.47Å; L175-S179 PolarHBondContact O-N 3.37Å; S179-N1225 WeakPolarHBondContact O-CB 3.3Å; S179-N1225 PolarHBondContact O-N 2.95Å; S179-N1225 PolarHBondContact OG-O 3.35Å; S179-G1228 WeakPolarHBondContact OG-CA 3.45Å; S179-G1228 PolarHBondContact OG-N 3.02Å; S179-G1228 VanDerWaalsContact OG-N 3.13Å
180I92.5Very high83Confident5 Ų544.8 Ų44.83%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-75.6132.9177.7-63.3167.3000108.8I174 L175 W178 V248 L1034 I1038 L1223 I1224I174-I180 WeakPolarHBondContact CA-O 3.29Å; L175-I180 HydrophobicContact CB-CB 4.2Å; L175-I180 HydrophobicContact CD1-CB 4.32Å; L175-I180 HydrophobicContact CD1-CG2 4.25Å; L175-I180 PolarHBondContact N-O 3.26Å; L175-I180 PolarHBondContact O-N 3.03Å; W178-I180 VanDerWaalsContact C-N 3.29Å; W178-I180 HydrophobicContact CB-CD1 4.11Å; W178-I180 HydrophobicContact CB-CG1 4.02Å; W178-I180 PolarHBondContact O-N 3.28Å; I180-V248 HydrophobicContact CG2-CG1 3.71Å; I180-V248 HydrophobicContact CG2-CG2 4.11Å; I180-L1034 HydrophobicContact CD1-CD2 4.06Å; I180-L1034 HydrophobicContact CD1-CG 4.48Å; I180-I1038 HydrophobicContact CD1-CD1 3.94Å; I180-L1223 HydrophobicContact CG2-CD1 4.48Å; I180-I1224 HydrophobicContact CG1-CD1 4.21Å
181S91.2Very high81.3Confident33 Ų3341 Ų4123%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-77.1129.6174.3-62.10000109.9L1223 N1225S181-L1223 PolarHBondContact N-O 2.97Å; S181-N1225 WeakPolarHBondContact OG-CA 3.38Å; S181-N1225 WeakPolarHBondContact OG-CB 3.02Å; S181-N1225 PolarHBondContact OG-N 3.4Å; S181-N1225 VanDerWaalsContact OG-N 3.11Å
182G90.5Very high79.5Confident7 Ų741.7 Ų41.77%0.07225%0.25CC..EExtended strand (participates in β ladder)trans-141.3172.5174.800000111.9V173 I247V173-G182 VanDerWaalsContact CG2-C 3.47Å; V173-G182 VanDerWaalsContact CG2-O 3.26Å; V173-G182 WeakPolarHBondContact CG2-O 3.42Å; V173-G182 PolarHBondContact N-O 2.9Å; V173-G182 PolarHBondContact O-N 3.35Å; G182-I247 WeakPolarHBondContact CA-O 3.38Å
183E90.9Very high77.6Confident82 Ų8243 Ų4338%0.38326%0.26SS..EExtended strand (participates in β ladder)trans-122.5136.8171.7-66.6-178.3-174.200109.2Q171 I247Q171-E183 WeakPolarHBondContact O-CA 3.36Å; E183-I247 PolarHBondContact N-O 2.91Å; E183-I247 PolarHBondContact O-N 3.13Å
184V88.9Confident75.5Confident0 Ų051.2 Ų51.20%030%0.298CS..EExtended strand (participates in β ladder)trans-113.5128.8172.8174.70000108F165 Q171 V173 V186 I244 V246 V260F165-V184 HydrophobicContact CE1-CB 4.36Å; F165-V184 HydrophobicContact CE1-CG1 3.9Å; F165-V184 HydrophobicContact CZ-CB 4.32Å; F165-V184 HydrophobicContact CZ-CG1 3.67Å; Q171-V184 PolarHBondContact N-O 3.41Å; Q171-V184 PolarHBondContact O-N 3.01Å; V173-V184 HydrophobicContact CB-CG2 4.46Å; V173-V184 HydrophobicContact CG1-CB 4.24Å; V173-V184 HydrophobicContact CG1-CG2 3.88Å; V173-V184 HydrophobicContact CG2-CG2 3.77Å; V184-V186 HydrophobicContact CG1-CG2 3.84Å; V184-I244 HydrophobicContact CG1-CD1 3.41Å; V184-I244 VanDerWaalsContact CG1-CD1 3.41Å; V184-I244 HydrophobicContact CG1-CG1 3.89Å; V184-V246 HydrophobicContact CG2-CB 4.36Å; V184-V246 HydrophobicContact CG2-CG1 4.16Å; V184-V246 HydrophobicContact CG2-CG2 3.9Å; V184-V260 HydrophobicContact CG2-CG1 4.24Å
185N84.8Confident73.6Confident66 Ų6657.3 Ų57.335%0.35333%0.33SS..EExtended strand (participates in β ladder)trans-115.4119.3170.8-169.232.6000108.1P169 R170P169-N185 WeakPolarHBondContact O-CA 3.45Å; P169-N185 PolarHBondContact O-OD1 3.5Å; P169-N185 VanDerWaalsContact O-OD1 3.13Å; R170-N185 HydrophobicContact CG-CB 4.24Å
186V74.9Confident72Confident30 Ų3061.2 Ų61.218%0.18235%0.351CS..  trans-115114.9174.1-178.90000107.6F165 P169 V184 I244F165-V186 HydrophobicContact CD1-CB 4.17Å; F165-V186 HydrophobicContact CD1-CG2 4.26Å; F165-V186 HydrophobicContact CD2-CG2 4.38Å; F165-V186 HydrophobicContact CE1-CB 4.21Å; F165-V186 HydrophobicContact CE1-CG2 3.81Å; F165-V186 HydrophobicContact CE2-CG2 3.94Å; F165-V186 HydrophobicContact CG-CB 4.31Å; F165-V186 HydrophobicContact CZ-CB 4.39Å; F165-V186 HydrophobicContact CZ-CG2 3.62Å; P169-V186 PolarHBondContact O-N 3.31Å; V184-V186 HydrophobicContact CG1-CG2 3.84Å; V186-I244 HydrophobicContact CG2-CD1 3.71Å
187D65.9Low70.9Confident99 Ų9964.9 Ų64.953%0.52938%0.382SS..  trans-64.9126.7172-80.5-34.8000109.2E189 C190D187-E189 PolarHBondContact O-N 2.98Å; D187-C190 WeakPolarHBondContact O-CB 3.49Å; D187-C190 PolarHBondContact O-N 2.9Å
188P55Low70Confident98 Ų9869.6 Ų69.664%0.63640%0.403SS*.THydrogen-bonded Turntrans-62.9-18.9-174.621.5-30.6000113.3R162R162-P188 PolarHBondContact NH2-O 3.11Å
189E53.1Low69.4Low185 Ų18570.8 Ų70.886%0.86441%0.412SS*.THydrogen-bonded Turntrans-89.9-6.5177.8-60.5-168.1169.400114.1D187 S191D187-E189 PolarHBondContact O-N 2.98Å; E189-S191 PolarHBondContact O-N 2.87Å
190C51.8Low68.7Low84 Ų8475.8 Ų75.857%0.56844%0.435SS*.  trans-68.7102.7175.9-101.70000110.3D187 A192D187-C190 WeakPolarHBondContact O-CB 3.49Å; D187-C190 PolarHBondContact O-N 2.9Å; C190-A192 PolarHBondContact O-N 2.91Å
191S47.5Very low68.2Low73 Ų7381.5 Ų81.551%0.5146%0.462SS..  trans-64120.9167.954.30000109.1E189 A193E189-S191 PolarHBondContact O-N 2.87Å; S191-A193 PolarHBondContact O-N 3.38Å
192A51.3Low67.8Low39 Ų3980.7 Ų80.732%0.32246%0.456SS..THydrogen-bonded Turntrans-74.648.117000000111.3C190 V238 G239C190-A192 PolarHBondContact O-N 2.91Å; A192-V238 HydrophobicContact CB-CB 4.34Å; A192-V238 HydrophobicContact CB-CG1 3.78Å; A192-G239 WeakPolarHBondContact CB-O 3.32Å
193A48.1Very low67.4Low81 Ų8180.7 Ų80.767%0.66945%0.454SS*.THydrogen-bonded Turntrans-114-5.5175.600000112.5S191S191-A193 PolarHBondContact O-N 3.38Å
194E47.3Very low67.1Low177 Ų17781.5 Ų81.583%0.82746%0.458SS*.  trans-101.578.8168.6-72.8-178.7165.600109D196E194-D196 PolarHBondContact O-N 3.18Å
195L53.2Low66.9Low129 Ų12983.1 Ų83.168%0.67547%0.466SS*.  trans-64.885.4158.4-89.5155.8000107.2A197L195-A197 PolarHBondContact O-N 3.02Å
196D61.5Low67Low82 Ų8280 Ų8044%0.43945%0.449SS..  trans-56.2126167-171.716.1000107.8E194 Q198 S199 Q200E194-D196 PolarHBondContact O-N 3.18Å; D196-Q198 PolarHBondContact O-N 3.19Å; D196-S199 WeakPolarHBondContact O-CB 3.42Å; D196-S199 PolarHBondContact O-N 3.2Å; D196-Q200 PolarHBondContact O-N 3.24Å
197A69.6Low67.6Low78 Ų7879.9 Ų79.965%0.64545%0.447SS*.Hα-helixtrans-52.4-31.4-178.300000111.1L195 S199 Q200 E201L195-A197 PolarHBondContact O-N 3.02Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 2.85Å; A197-Q200 PolarHBondContact O-N 2.83Å; A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 3.27Å
198Q70Confident68.4Low108 Ų10879.6 Ų79.651%0.50544%0.441SS..Hα-helixtrans-63.8-32.9175.8-154.2-178.336.200113.7D196 C202D196-Q198 PolarHBondContact O-N 3.19Å; Q198-C202 VanDerWaalsContact O-CB 3.25Å; Q198-C202 WeakPolarHBondContact O-CB 3.3Å; Q198-C202 PolarHBondContact O-N 2.93Å
199S76.6Confident69.9Low30 Ų3075.6 Ų75.621%0.2141%0.414CS..Hα-helixtrans-73.1-36.8176.9-64.20000111.6D196 A197 L203 I243D196-S199 WeakPolarHBondContact O-CB 3.42Å; D196-S199 PolarHBondContact O-N 3.2Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 2.85Å; S199-L203 WeakPolarHBondContact O-CB 3.25Å; S199-L203 PolarHBondContact O-N 3.31Å; S199-I243 WeakPolarHBondContact O-CG1 3.41Å
200Q79.3Confident71.4Confident105 Ų10568.2 Ų68.249%0.49138%0.378SS..Hα-helixtrans-72.4-38.5176.5-166.4154.9-12.700111.3D196 A197 L203 Q204D196-Q200 PolarHBondContact O-N 3.24Å; A197-Q200 PolarHBondContact O-N 2.83Å; Q200-L203 PolarHBondContact O-N 2.78Å; Q200-Q204 WeakPolarHBondContact O-CG 3.44Å; Q200-Q204 PolarHBondContact O-N 2.76Å
201E81Confident72.2Confident125 Ų12565.3 Ų65.358%0.58436%0.36SS*.Hα-helixtrans-60.8-49171.3-174.1171.7-15400111.7A197 L203 Q204 E205A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 3.27Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.93Å; E201-Q204 WeakPolarHBondContact O-CA 3.49Å; E201-Q204 WeakPolarHBondContact O-CB 3.38Å; E201-Q204 PolarHBondContact O-N 3.02Å; E201-E205 PolarHBondContact O-N 2.91Å
202C82.3Confident73.3Confident16 Ų1663 Ų6311%0.10834%0.341CS..Hα-helixtrans-56.5-43.6175.7-173.40000111.7Q198 Q204 E205 W206Q198-C202 VanDerWaalsContact O-CB 3.25Å; Q198-C202 WeakPolarHBondContact O-CB 3.3Å; Q198-C202 PolarHBondContact O-N 2.93Å; C202-Q204 VanDerWaalsContact C-N 3.35Å; C202-Q204 PolarHBondContact O-N 3.47Å; C202-E205 WeakPolarHBondContact O-CB 3.46Å; C202-E205 PolarHBondContact O-N 2.94Å; C202-W206 VanDerWaalsContact O-CD1 3.28Å; C202-W206 PolarHBondContact O-N 3.26Å; C202-W206 VanDerWaalsContact O-N 3.07Å
203L83.4Confident73.7Confident7 Ų764.7 Ų64.74%0.03735%0.349CS..Hα-helixtrans-62-41.2175.6-175.166.4000112.2S199 Q200 E201 E205 W206 L207 F212 K242 I243S199-L203 WeakPolarHBondContact O-CB 3.25Å; S199-L203 PolarHBondContact O-N 3.31Å; Q200-L203 PolarHBondContact O-N 2.78Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.93Å; L203-E205 VanDerWaalsContact C-N 3.28Å; L203-E205 PolarHBondContact O-N 3.45Å; L203-W206 PolarHBondContact O-N 3.12Å; L203-L207 HydrophobicContact CG-CD1 4.32Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.34Å; L203-F212 HydrophobicContact CD1-CZ 4.06Å; L203-K242 HydrophobicContact CD2-CB 3.95Å; L203-K242 HydrophobicContact CD2-CD 3.65Å; L203-K242 HydrophobicContact CD2-CG 4.45Å; L203-I243 HydrophobicContact CB-CD1 4.09Å; L203-I243 HydrophobicContact CB-CG1 4.03Å; L203-I243 HydrophobicContact CD1-CD1 4.06Å; L203-I243 HydrophobicContact CD1-CG1 4.47Å
204Q83.7Confident73.6Confident99 Ų9965.1 Ų65.146%0.46334%0.34SS..Hα-helixtrans-63.1-34.8176.2-70.2-60-35.900112.1Q200 E201 C202 L207 K208Q200-Q204 WeakPolarHBondContact O-CG 3.44Å; Q200-Q204 PolarHBondContact O-N 2.76Å; E201-Q204 WeakPolarHBondContact O-CA 3.49Å; E201-Q204 WeakPolarHBondContact O-CB 3.38Å; E201-Q204 PolarHBondContact O-N 3.02Å; C202-Q204 VanDerWaalsContact C-N 3.35Å; C202-Q204 PolarHBondContact O-N 3.47Å; Q204-L207 PolarHBondContact O-N 2.96Å; Q204-K208 PolarHBondContact O-N 3.32Å
205E84.8Confident73.1Confident35 Ų3560 Ų6016%0.16433%0.334CS..Hα-helixtrans-66.3-45.1173.2-65.8-171.6152.700112.5E201 C202 L203 L207 K208 F209 H1030 L1032E201-E205 PolarHBondContact O-N 2.91Å; C202-E205 WeakPolarHBondContact O-CB 3.46Å; C202-E205 PolarHBondContact O-N 2.94Å; L203-E205 VanDerWaalsContact C-N 3.28Å; L203-E205 PolarHBondContact O-N 3.45Å; E205-L207 VanDerWaalsContact C-N 3.28Å; E205-L207 PolarHBondContact O-N 3.48Å; E205-K208 WeakPolarHBondContact O-CB 3.35Å; E205-K208 PolarHBondContact O-N 3.07Å; E205-K208 VanDerWaalsContact O-N 3.15Å; E205-F209 WeakPolarHBondContact O-CD2 3.35Å; E205-H1030 IonicContact OE2-CE1 2.67Å; E205-L1032 HydrophobicContact CB-CD2 3.74Å
206W87.8Confident72.1Confident0 Ų058.4 Ų58.40%033%0.33CS..Hα-helixtrans-58.4-40.6175.1-8691.1000112.1C202 L203 K208 F209 Y210 Y255 P256 L1032 A1035C202-W206 VanDerWaalsContact O-CD1 3.28Å; C202-W206 PolarHBondContact O-N 3.26Å; C202-W206 VanDerWaalsContact O-N 3.07Å; L203-W206 PolarHBondContact O-N 3.12Å; W206-K208 PolarHBondContact O-N 3.49Å; W206-F209 PolarHBondContact O-N 2.83Å; W206-Y210 AromaticContact CE3-CD2 3.64Å; W206-Y210 HydrophobicContact CE3-CD2 3.64Å; W206-Y210 HydrophobicContact CE3-CE2 4.02Å; W206-Y210 HydrophobicContact CE3-CG 4.44Å; W206-Y210 AromaticContact CZ3-CD2 3.87Å; W206-Y210 HydrophobicContact CZ3-CD2 3.87Å; W206-Y210 AromaticContact CZ3-CE2 3.81Å; W206-Y210 HydrophobicContact CZ3-CE2 3.81Å; W206-Y210 PolarHBondContact O-N 2.9Å; W206-Y255 HydrophobicContact CH2-CD2 4.1Å; W206-Y255 HydrophobicContact CH2-CE1 4.2Å; W206-Y255 AromaticContact CH2-CE2 3.48Å; W206-Y255 HydrophobicContact CH2-CE2 3.48Å; W206-Y255 VanDerWaalsContact CH2-CE2 3.48Å; W206-Y255 AromaticContact CH2-CZ 3.53Å; W206-Y255 AromaticContact CZ2-CD2 3.81Å; W206-Y255 HydrophobicContact CZ2-CD2 3.81Å; W206-Y255 AromaticContact CZ2-CE2 3.62Å; W206-Y255 HydrophobicContact CZ2-CE2 3.62Å; W206-Y255 HydrophobicContact CZ2-CG 4.44Å; W206-P256 HydrophobicContact CB-CG 4.07Å; W206-P256 HydrophobicContact CD2-CG 3.47Å; W206-P256 VanDerWaalsContact CD2-CG 3.47Å; W206-P256 VanDerWaalsContact CE2-CD 3.45Å; W206-P256 HydrophobicContact CE3-CG 3.86Å; W206-P256 HydrophobicContact CG-CG 3.56Å; W206-P256 HydrophobicContact CZ2-CG 4.41Å; W206-P256 HydrophobicContact CZ3-CG 4.48Å; W206-L1032 HydrophobicContact CD2-CD1 3.91Å; W206-L1032 HydrophobicContact CE3-CD1 4.13Å; W206-L1032 HydrophobicContact CG-CD1 4.26Å; W206-L1032 HydrophobicContact CZ2-CB 4.29Å; W206-A1035 HydrophobicContact CH2-CB 3.59Å; W206-A1035 HydrophobicContact CZ2-CB 4.39Å; W206-A1035 HydrophobicContact CZ3-CB 4.05Å
207L86.7Confident70.4Confident27 Ų2759.7 Ų59.714%0.14135%0.345CS..Hα-helixtrans-63.5-21.8179.3-74.3170.7000113.7L203 Q204 E205 F209 F212L203-L207 HydrophobicContact CG-CD1 4.32Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.34Å; Q204-L207 PolarHBondContact O-N 2.96Å; E205-L207 VanDerWaalsContact C-N 3.28Å; E205-L207 PolarHBondContact O-N 3.48Å; L207-F209 VanDerWaalsContact C-N 3.27Å; L207-F209 PolarHBondContact O-N 2.89Å; L207-F212 HydrophobicContact CD2-CD1 4.05Å; L207-F212 HydrophobicContact CD2-CD2 3.91Å; L207-F212 HydrophobicContact CD2-CE1 3.81Å; L207-F212 HydrophobicContact CD2-CE2 3.7Å; L207-F212 HydrophobicContact CD2-CG 4.07Å; L207-F212 HydrophobicContact CD2-CZ 3.63Å; L207-F212 WeakPolarHBondContact CD2-O 3.46Å; L207-F212 HydrophobicContact CG-CZ 4.36Å
208K83.5Confident68.4Low94 Ų9464.2 Ų64.241%0.40935%0.353SS..Hα-helixtrans-67.2-28.8173.9-63.8169.8-171.7170.10112.2G16 Q204 E205 W206G16-K208 CarbonylContact C-O 3.56Å; G16-K208 WeakPolarHBondContact CA-O 3.47Å; G16-K208 VanDerWaalsContact O-O 3.13Å; Q204-K208 PolarHBondContact O-N 3.32Å; E205-K208 WeakPolarHBondContact O-CB 3.35Å; E205-K208 PolarHBondContact O-N 3.07Å; E205-K208 VanDerWaalsContact O-N 3.15Å; W206-K208 PolarHBondContact O-N 3.49Å
209F86.2Confident66.4Low14 Ų1470.5 Ų70.56%0.06137%0.372CS..Hα-helixtrans-110.9-29.1-174.4-59.9-78.8000113.1V6 L12 Y15 E205 W206 L207 L1032 L1036V6-F209 HydrophobicContact CG1-CE2 4.35Å; V6-F209 HydrophobicContact CG1-CZ 4.34Å; L12-F209 HydrophobicContact CB-CE1 4.32Å; L12-F209 HydrophobicContact CB-CZ 4.4Å; L12-F209 WeakPolarHBondContact O-CE1 3.41Å; Y15-F209 AromaticContact CD1-CD1 3.79Å; Y15-F209 HydrophobicContact CD1-CD1 3.79Å; Y15-F209 HydrophobicContact CD1-CE1 4.05Å; Y15-F209 HydrophobicContact CE1-CD1 4.01Å; E205-F209 WeakPolarHBondContact O-CD2 3.35Å; W206-F209 PolarHBondContact O-N 2.83Å; L207-F209 VanDerWaalsContact C-N 3.27Å; L207-F209 PolarHBondContact O-N 2.89Å; F209-L1032 HydrophobicContact CD2-CD1 4Å; F209-L1032 HydrophobicContact CD2-CD2 4.11Å; F209-L1032 HydrophobicContact CE2-CD2 4.08Å; F209-L1036 HydrophobicContact CD1-CD2 3.82Å; F209-L1036 HydrophobicContact CE1-CD2 4.05Å; F209-L1036 HydrophobicContact CE2-CD1 4.26Å; F209-L1036 HydrophobicContact CG-CD2 4.05Å; F209-L1036 HydrophobicContact CZ-CD1 4.2Å; F209-L1036 HydrophobicContact CZ-CD2 4.5Å
210Y83Confident64Low30 Ų3073.4 Ų73.412%0.11841%0.407CS..SBendtrans-127.273.6179.5-62-88.7000108.8L100 P177 W206 F212 F259L100-Y210 HydrophobicContact CD1-CD1 4.13Å; P177-Y210 HydrophobicContact CG-CE1 4.36Å; W206-Y210 AromaticContact CE3-CD2 3.64Å; W206-Y210 HydrophobicContact CE3-CD2 3.64Å; W206-Y210 HydrophobicContact CE3-CE2 4.02Å; W206-Y210 HydrophobicContact CE3-CG 4.44Å; W206-Y210 AromaticContact CZ3-CD2 3.87Å; W206-Y210 HydrophobicContact CZ3-CD2 3.87Å; W206-Y210 AromaticContact CZ3-CE2 3.81Å; W206-Y210 HydrophobicContact CZ3-CE2 3.81Å; W206-Y210 PolarHBondContact O-N 2.9Å; Y210-F212 WeakPolarHBondContact O-CD1 3.45Å; Y210-F212 VanDerWaalsContact O-CE1 3.24Å; Y210-F212 WeakPolarHBondContact O-CE1 3.38Å; Y210-F212 PolarHBondContact O-N 3.01Å; Y210-F259 HydrophobicContact CD1-CE1 4.07Å; Y210-F259 HydrophobicContact CD1-CZ 4.26Å; Y210-F259 HydrophobicContact CG-CE1 4.35Å; Y210-F259 HydrophobicContact CG-CZ 4.2Å
211A69.3Low61.6Low23 Ų2373.8 Ų73.819%0.1942%0.421CS..  trans-68113.4-175.900000111.6T20 N101T20-A211 HydrophobicContact CG2-CB 4.39Å; N101-A211 PolarHBondContact OD1-O 3.4Å
212F71.6Confident59Low24 Ų2472.9 Ų72.911%0.10544%0.435CS..  trans-129143.3169.650.6-92.5000110.6N101 L203 L207 Y210 D214 F259N101-F212 WeakPolarHBondContact OD1-CA 3.44Å; L203-F212 HydrophobicContact CD1-CZ 4.06Å; L207-F212 HydrophobicContact CD2-CD1 4.05Å; L207-F212 HydrophobicContact CD2-CD2 3.91Å; L207-F212 HydrophobicContact CD2-CE1 3.81Å; L207-F212 HydrophobicContact CD2-CE2 3.7Å; L207-F212 HydrophobicContact CD2-CG 4.07Å; L207-F212 HydrophobicContact CD2-CZ 3.63Å; L207-F212 WeakPolarHBondContact CD2-O 3.46Å; L207-F212 HydrophobicContact CG-CZ 4.36Å; Y210-F212 WeakPolarHBondContact O-CD1 3.45Å; Y210-F212 VanDerWaalsContact O-CE1 3.24Å; Y210-F212 WeakPolarHBondContact O-CE1 3.38Å; Y210-F212 PolarHBondContact O-N 3.01Å; F212-D214 PolarHBondContact O-N 3.35Å; F212-F259 HydrophobicContact CD1-CE2 4.01Å; F212-F259 HydrophobicContact CD1-CZ 4.33Å; F212-F259 AromaticContact CE1-CE2 3.61Å; F212-F259 HydrophobicContact CE1-CE2 3.61Å; F212-F259 HydrophobicContact CE1-CZ 4.19Å; F212-F259 HydrophobicContact CZ-CE2 4.36Å
213P58.2Low56.4Low75 Ų7576.7 Ų76.749%0.48747%0.467SS..  trans-68.4121.9-17923.3-30000111.1N101 G215 V216N101-P213 WeakPolarHBondContact OD1-CD 3.47Å; P213-G215 PolarHBondContact O-N 2.74Å; P213-V216 HydrophobicContact CB-CG2 3.84Å
214D45.8Very low53.8Low89 Ų8980.7 Ų80.748%0.47650%0.496SS..SBendtrans-80.441.6177.1-163.828.1000111.9F212 K242F212-D214 PolarHBondContact O-N 3.35Å; D214-K242 IonicContact OD1-NZ 3.82Å; D214-K242 PolarHBondContact OD1-NZ 2.85Å; D214-K242 IonicContact OD2-NZ 3.52Å; D214-K242 PolarHBondContact OD2-NZ 2.94Å
215G38.6Very low51.1Low69 Ų6983.7 Ų83.771%0.71152%0.515SS*.  trans98.6117-172.600000114P213P213-G215 PolarHBondContact O-N 2.74Å
216V31.2Very low48.3Very low96 Ų9687 Ų8758%0.58254%0.542SS*.  trans-117.8101.1168.7173.90000108.4P213P213-V216 HydrophobicContact CB-CG2 3.84Å
217S26.4Very low45.8Very low110 Ų11091.3 Ų91.377%0.76957%0.565SS**  trans-64.9135.1144.5-173.30000107.4
218Q27.3Very low43.3Very low172 Ų17298.2 Ų98.280%0.80460%0.602SS**  trans85.475173.9-51.8-179.56.200118.1
219R28.2Very low40.8Very low241 Ų241102.8 Ų102.891%0.90962%0.622SS**  -156.3116125-112.9178.1-168.6-162.62.2109.6S221R219-S221 PolarHBondContact O-N 3.49Å
220G26.6Very low38.4Very low90 Ų90109.1 Ų109.193%0.92865%0.652SS**  trans-60.4118.3-177.700000112
221S28.2Very low35.7Very low114 Ų114116.3 Ų116.380%0.79769%0.688SS**  trans-146.2117.5149.8-160.20000107.6R219 A223R219-S221 PolarHBondContact O-N 3.49Å; S221-A223 PolarHBondContact O-N 3.21Å; S221-A223 VanDerWaalsContact O-N 3.11Å
222A26.7Very low33.9Very low106 Ų106121.9 Ų121.988%0.87672%0.715SS**SBendtrans-71.4100.6-176.500000110.2
223A28.1Very low32Very low95 Ų95124.8 Ų124.879%0.78575%0.752SS**SBendtrans155.970.3146.500000112.1S221S221-A223 PolarHBondContact O-N 3.21Å; S221-A223 VanDerWaalsContact O-N 3.11Å
224S27.8Very low30.8Very low91 Ų91131.1 Ų131.164%0.63677%0.772SS**SBendtrans-176.5-11.4153.254.10000115.6S226S224-S226 PolarHBondContact O-N 2.99Å
225D26.1Very low30.1Very low162 Ų162131.3 Ų131.387%0.86678%0.78SS**  trans-88.562.9-174.3-80.5-6.2000114.5
226S27.2Very low29.8Very low105 Ų105132 Ų13273%0.73479%0.787SS**  trans-119.711.5167.662.80000114.5S224S224-S226 PolarHBondContact O-N 2.99Å
227L34.5Very low30.2Very low90 Ų90129.8 Ų129.847%0.47178%0.779SS.*SBendtrans-109.7-4-164.8-96.3149.6000118.1E116E116-L227 WeakPolarHBondContact OE1-CD2 3.32Å
228D34.8Very low31.4Very low172 Ų172127.9 Ų127.992%0.9276%0.763SS**SBendtrans-113.316.4177.1-74.6-30.2000115
229K31.7Very low33.2Very low190 Ų190122.2 Ų122.283%0.82675%0.75SS**  trans-101.294.1161.4-79.3-176.9178.8176.20108.9M231K229-M231 PolarHBondContact O-N 3.49Å
230E34.1Very low35.4Very low148 Ų148112.7 Ų112.769%0.69272%0.717SS**  trans-5990.4155.2-78.4-163.7147.100108.3D232E230-D232 PolarHBondContact O-N 3.3Å
231M27.6Very low38Very low180 Ų180111.1 Ų111.189%0.88769%0.69SS**  trans-84.473.7167.1-158.8161.481.300107.4K229K229-M231 PolarHBondContact O-N 3.49Å
232D31.9Very low40.6Very low140 Ų140110.9 Ų110.975%0.74968%0.675SS**  trans-138.383.5159.7-109.3-24.8000108.3E230 K234E230-D232 PolarHBondContact O-N 3.3Å; D232-K234 PolarHBondContact O-N 3.17Å
233G31Very low43.5Very low86 Ų86106.5 Ų106.589%0.88764%0.637SS**THydrogen-bonded Turntrans-68.134.5178.800000115.1
234K32.7Very low46.5Very low208 Ų208102.5 Ų102.590%0.90460%0.602SS**THydrogen-bonded Turntrans-1419.2176.9-73.5-168.4177.5176.40116.4D232D232-K234 PolarHBondContact O-N 3.17Å
235S31.8Very low49.4Very low93 Ų93101 Ų10165%0.6559%0.587SS**  trans-147.6116.3168.3179.70000110.4A237S235-A237 PolarHBondContact O-N 2.87Å
236G32.6Very low52.6Low82 Ų8293.2 Ų93.285%0.84555%0.545SS*.  trans-72.757.2178.900000113.4V238G236-V238 PolarHBondContact O-N 2.83Å
237A39.8Very low55.6Low51 Ų5190.8 Ų90.842%0.42152%0.523SS..  trans-77.9105.3179.700000110.3S235S235-A237 PolarHBondContact O-N 2.87Å
238V51.4Low58.3Low70 Ų7086.6 Ų86.642%0.42450%0.501SS..PPolyproline II helixtrans-69.4138.8177.7-159.80000110.6R162 A192 G236R162-V238 PolarHBondContact NH1-O 2.87Å; A192-V238 HydrophobicContact CB-CB 4.34Å; A192-V238 HydrophobicContact CB-CG1 3.78Å; G236-V238 PolarHBondContact O-N 2.83Å
239G64.2Low60.5Low52 Ų5280.5 Ų80.554%0.53647%0.465SS..PPolyproline II helixtrans-62.1164.2173.300000113.5A192A192-G239 WeakPolarHBondContact CB-O 3.32Å
240L75.3Confident62.9Low41 Ų4173 Ų7322%0.21544%0.442CS..PPolyproline II helixtrans-62.8149.5174-75.2172.6000110.9L160 R162 F165 T257L160-L240 HydrophobicContact CB-CD1 4.47Å; L160-L240 HydrophobicContact CD2-CD1 4.26Å; L160-L240 HydrophobicContact CG-CD1 3.95Å; R162-L240 HydrophobicContact CB-CG 4.42Å; F165-L240 HydrophobicContact CE2-CD1 4.35Å; F165-L240 HydrophobicContact CE2-CD2 4.2Å; L240-T257 HydrophobicContact CB-CG2 4.42Å; L240-T257 HydrophobicContact CD1-CG2 4.44Å
241P81Confident65.5Low58 Ų5866.5 Ų66.538%0.37741%0.413SS..PPolyproline II helixtrans-63.4153.6176.529.1-35.8000111.3I243 T257P241-I243 VanDerWaalsContact C-N 3.31Å; P241-I243 WeakPolarHBondContact CB-O 3.3Å; P241-I243 WeakPolarHBondContact CG-O 3.49Å; P241-I243 PolarHBondContact O-N 3.17Å; P241-T257 WeakPolarHBondContact O-CB 3.21Å; P241-T257 PolarHBondContact O-OG1 3.48Å
242K83.2Confident68.5Low109 Ų10960.8 Ų60.847%0.47438%0.383SS..SBendtrans-69.5-28.3-179.8-63-170.2-175.8-168.80113.1L203 D214 T257L203-K242 HydrophobicContact CD2-CB 3.95Å; L203-K242 HydrophobicContact CD2-CD 3.65Å; L203-K242 HydrophobicContact CD2-CG 4.45Å; D214-K242 IonicContact OD1-NZ 3.82Å; D214-K242 PolarHBondContact OD1-NZ 2.85Å; D214-K242 IonicContact OD2-NZ 3.52Å; D214-K242 PolarHBondContact OD2-NZ 2.94Å; K242-T257 PolarHBondContact O-N 3.07Å; K242-T257 PolarHBondContact O-OG1 3.08Å
243I86.9Confident71.3Confident14 Ų1454.1 Ų54.17%0.07235%0.347CS..EExtended strand (participates in β ladder)trans-117138.6171.7-64.1-75.4000107S199 L203 P241 K254 Y255 P256S199-I243 WeakPolarHBondContact O-CG1 3.41Å; L203-I243 HydrophobicContact CB-CD1 4.09Å; L203-I243 HydrophobicContact CB-CG1 4.03Å; L203-I243 HydrophobicContact CD1-CD1 4.06Å; L203-I243 HydrophobicContact CD1-CG1 4.47Å; P241-I243 VanDerWaalsContact C-N 3.31Å; P241-I243 WeakPolarHBondContact CB-O 3.3Å; P241-I243 WeakPolarHBondContact CG-O 3.49Å; P241-I243 PolarHBondContact O-N 3.17Å; I243-K254 HydrophobicContact CG2-CB 3.91Å; I243-K254 HydrophobicContact CG2-CG 4.41Å; I243-Y255 WeakPolarHBondContact CA-O 3.26Å; I243-P256 HydrophobicContact CD1-CB 4.23Å; I243-P256 HydrophobicContact CD1-CG 3.94Å
244I89.9Confident74.1Confident11 Ų1152.6 Ų52.66%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-130.7148.6179.4-163.4158.6000110.4L160 V184 V186 V246 Y255 V260L160-I244 HydrophobicContact CD2-CD1 3.9Å; V184-I244 HydrophobicContact CG1-CD1 3.41Å; V184-I244 VanDerWaalsContact CG1-CD1 3.41Å; V184-I244 HydrophobicContact CG1-CG1 3.89Å; V186-I244 HydrophobicContact CG2-CD1 3.71Å; I244-V246 HydrophobicContact CG2-CG2 4.04Å; I244-V246 PolarHBondContact O-N 3.31Å; I244-Y255 PolarHBondContact N-O 2.92Å; I244-Y255 PolarHBondContact O-N 2.88Å; I244-V260 HydrophobicContact CG2-CG2 4.05Å
245D90.5Very high76.9Confident58 Ų5842.8 Ų42.831%0.3127%0.273SS..EExtended strand (participates in β ladder)trans-79.1119173-69.9-27.5000109.5K252D245-K252 VanDerWaalsContact CB-CE 3.49Å; D245-K252 HydrophobicContact CB-CG 4.34Å; D245-K252 WeakPolarHBondContact OD2-CE 3.36Å; D245-K252 IonicContact OD2-NZ 3.43Å; D245-K252 PolarHBondContact OD2-NZ 2.88Å
246V91.7Very high79.7Confident0 Ų038.4 Ų38.40%024%0.243CC..EExtended strand (participates in β ladder)trans-111132.2174.5-171.20000108.9V173 L175 V184 I244 V248 L253 V260V173-V246 HydrophobicContact CG2-CG1 4.04Å; L175-V246 HydrophobicContact CD1-CG1 4.04Å; L175-V246 HydrophobicContact CD2-CG1 4.02Å; L175-V246 HydrophobicContact CD2-CG2 4.03Å; L175-V246 HydrophobicContact CG-CG1 4.45Å; V184-V246 HydrophobicContact CG2-CB 4.36Å; V184-V246 HydrophobicContact CG2-CG1 4.16Å; V184-V246 HydrophobicContact CG2-CG2 3.9Å; I244-V246 HydrophobicContact CG2-CG2 4.04Å; I244-V246 PolarHBondContact O-N 3.31Å; V246-V248 HydrophobicContact CG1-CG2 4.23Å; V246-L253 PolarHBondContact N-O 2.96Å; V246-L253 PolarHBondContact O-N 3.23Å; V246-V260 HydrophobicContact CG2-CG2 4.23Å
247I91.5Very high82.5Confident54 Ų5435.4 Ų35.428%0.27721%0.208SC..EExtended strand (participates in β ladder)trans-95.6112.2174.4-57.6174.2000108.2G182 E183 V251G182-I247 WeakPolarHBondContact CA-O 3.38Å; E183-I247 PolarHBondContact N-O 2.91Å; E183-I247 PolarHBondContact O-N 3.13Å; I247-V251 CarbonylContact C-O 3.57Å; I247-V251 WeakPolarHBondContact CA-O 3.48Å
248V90.1Very high84.8Confident1 Ų138.3 Ų38.31%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-103.5100.3174.4178.60000108.2L175 I180 V246 G250 V251 L253 L1199 L1223L175-V248 HydrophobicContact CD1-CG2 3.8Å; I180-V248 HydrophobicContact CG2-CG1 3.71Å; I180-V248 HydrophobicContact CG2-CG2 4.11Å; V246-V248 HydrophobicContact CG1-CG2 4.23Å; V248-G250 PolarHBondContact O-N 3.2Å; V248-V251 PolarHBondContact N-O 3.32Å; V248-V251 PolarHBondContact O-N 3.26Å; V248-L253 HydrophobicContact CB-CD1 4.15Å; V248-L253 HydrophobicContact CG2-CD1 3.77Å; V248-L1199 HydrophobicContact CG1-CD2 4.16Å; V248-L1223 HydrophobicContact CG1-CD1 3.69Å
249R82.6Confident86.7Confident44 Ų4435.1 Ų35.117%0.16619%0.189CC..THydrogen-bonded Turntrans47.730.9-177.8-56.8-172.5179.2155.6-28.5115.6F1219 Q1221 L1223R249-F1219 HydrophobicContact CB-CD1 3.78Å; R249-F1219 HydrophobicContact CB-CE1 3.93Å; R249-F1219 HydrophobicContact CG-CD1 4.19Å; R249-F1219 VanDerWaalsContact NH1-CB 3.33Å; R249-Q1221 VanDerWaalsContact CZ-O 3.31Å; R249-Q1221 PolarHBondContact NE-O 3.11Å; R249-Q1221 VanDerWaalsContact NE-O 3.1Å; R249-Q1221 PolarHBondContact NH2-O 3.3Å; R249-L1223 HydrophobicContact CG-CD1 4.14Å
250G82.2Confident88Confident33 Ų3332.8 Ų32.834%0.3416%0.164SC..THydrogen-bonded Turntrans105.7-4.1-179.400000115.3V248 T1026 C1027V248-G250 PolarHBondContact O-N 3.2Å; G250-T1026 WeakPolarHBondContact O-CB 3.4Å; G250-C1027 PolarHBondContact O-N 3.05Å
251V86.9Confident88.8Confident11 Ų1130.9 Ų30.97%0.06715%0.154CC..EExtended strand (participates in β ladder)trans-96.5123.1168.7-177.80000109.3I247 V248 L253 C1027 L1199 V1203I247-V251 CarbonylContact C-O 3.57Å; I247-V251 WeakPolarHBondContact CA-O 3.48Å; V248-V251 PolarHBondContact N-O 3.32Å; V248-V251 PolarHBondContact O-N 3.26Å; V251-L253 HydrophobicContact CG1-CD2 3.73Å; V251-L253 HydrophobicContact CG1-CG 4.25Å; V251-C1027 CarbonylContact C-O 3.58Å; V251-C1027 WeakPolarHBondContact CA-O 3.26Å; V251-L1199 HydrophobicContact CB-CD1 4.14Å; V251-L1199 HydrophobicContact CG1-CD1 4.13Å; V251-L1199 HydrophobicContact CG2-CD1 4.29Å; V251-L1199 HydrophobicContact CG2-CD2 4.2Å; V251-L1199 HydrophobicContact CG2-CG 4.22Å; V251-V1203 HydrophobicContact CB-CG2 4.41Å; V251-V1203 HydrophobicContact CG1-CG2 3.6Å; V251-V1203 HydrophobicContact CG2-CG2 3.85Å
252K90.7Very high89.2Confident61 Ų6128.1 Ų28.127%0.26514%0.137SC..EExtended strand (participates in β ladder)trans-84.1121.9176.2-171.9-176.7178.4-168.70109.7D245 C1027 E1028 G1029D245-K252 VanDerWaalsContact CB-CE 3.49Å; D245-K252 HydrophobicContact CB-CG 4.34Å; D245-K252 WeakPolarHBondContact OD2-CE 3.36Å; D245-K252 IonicContact OD2-NZ 3.43Å; D245-K252 PolarHBondContact OD2-NZ 2.88Å; K252-C1027 PolarHBondContact N-O 3.08Å; K252-E1028 HydrophobicContact CB-CG 4.5Å; K252-G1029 PolarHBondContact O-N 3.37Å
253L90.8Very high89Confident0 Ų023.6 Ų23.60%012%0.118CC..EExtended strand (participates in β ladder)trans-122.7131-178.2-57.5178.1000110.5V246 V248 V251 Y255 G1029 L1034 L1199V246-L253 PolarHBondContact N-O 2.96Å; V246-L253 PolarHBondContact O-N 3.23Å; V248-L253 HydrophobicContact CB-CD1 4.15Å; V248-L253 HydrophobicContact CG2-CD1 3.77Å; V251-L253 HydrophobicContact CG1-CD2 3.73Å; V251-L253 HydrophobicContact CG1-CG 4.25Å; L253-Y255 PolarHBondContact O-N 3.44Å; L253-G1029 WeakPolarHBondContact CD2-O 3.48Å; L253-L1034 HydrophobicContact CD1-CD2 3.6Å; L253-L1199 HydrophobicContact CD1-CD1 4.25Å
254K89.9Confident88.2Confident53 Ų5325.3 Ų25.323%0.2313%0.125CC..EExtended strand (participates in β ladder)trans-74.7119.5166-70.3-172.7178-171.80109.6I243I243-K254 HydrophobicContact CG2-CB 3.91Å; I243-K254 HydrophobicContact CG2-CG 4.41Å
255Y91.6Very high86.5Confident2 Ų231.3 Ų31.31%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-133.9141.3-175.3-139.4-101.5000112.2L175 A176 W206 I243 I244 L253 T257 F259 V260L175-Y255 HydrophobicContact CB-CE1 4.11Å; L175-Y255 HydrophobicContact CD2-CD1 4.12Å; L175-Y255 HydrophobicContact CD2-CE1 4.36Å; A176-Y255 WeakPolarHBondContact O-CE1 3.44Å; A176-Y255 PolarHBondContact O-OH 3.49Å; W206-Y255 HydrophobicContact CH2-CD2 4.1Å; W206-Y255 HydrophobicContact CH2-CE1 4.2Å; W206-Y255 AromaticContact CH2-CE2 3.48Å; W206-Y255 HydrophobicContact CH2-CE2 3.48Å; W206-Y255 VanDerWaalsContact CH2-CE2 3.48Å; W206-Y255 AromaticContact CH2-CZ 3.53Å; W206-Y255 AromaticContact CZ2-CD2 3.81Å; W206-Y255 HydrophobicContact CZ2-CD2 3.81Å; W206-Y255 AromaticContact CZ2-CE2 3.62Å; W206-Y255 HydrophobicContact CZ2-CE2 3.62Å; W206-Y255 HydrophobicContact CZ2-CG 4.44Å; I243-Y255 WeakPolarHBondContact CA-O 3.26Å; I244-Y255 PolarHBondContact N-O 2.92Å; I244-Y255 PolarHBondContact O-N 2.88Å; L253-Y255 PolarHBondContact O-N 3.44Å; Y255-T257 PolarHBondContact O-N 3.3Å; Y255-F259 HydrophobicContact CD1-CB 3.97Å; Y255-F259 HydrophobicContact CE1-CB 3.61Å; Y255-V260 HydrophobicContact CD1-CG2 4.23Å
256P91.9Very high84Confident1 Ų135.1 Ų35.11%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-63.1127.5174.8-21.832.9000112.2W206 I243 R258 F259W206-P256 HydrophobicContact CB-CG 4.07Å; W206-P256 HydrophobicContact CD2-CG 3.47Å; W206-P256 VanDerWaalsContact CD2-CG 3.47Å; W206-P256 VanDerWaalsContact CE2-CD 3.45Å; W206-P256 HydrophobicContact CE3-CG 3.86Å; W206-P256 HydrophobicContact CG-CG 3.56Å; W206-P256 HydrophobicContact CZ2-CG 4.41Å; W206-P256 HydrophobicContact CZ3-CG 4.48Å; I243-P256 HydrophobicContact CD1-CB 4.23Å; I243-P256 HydrophobicContact CD1-CG 3.94Å; P256-R258 PolarHBondContact O-N 3.49Å; P256-R258 VanDerWaalsContact O-N 3.11Å; P256-F259 HydrophobicContact CB-CD2 3.85Å; P256-F259 HydrophobicContact CB-CE2 4.45Å; P256-F259 HydrophobicContact CG-CD2 4.41Å; P256-F259 PolarHBondContact O-N 3.45Å
257T90Very high81Confident20 Ų2040.7 Ų40.712%0.12321%0.209CC..G310 helixtrans-57.2-32.5-175.7-60.40000112.7L160 L240 P241 K242 Y255 F259 V260L160-T257 HydrophobicContact CD2-CG2 4.18Å; L240-T257 HydrophobicContact CB-CG2 4.42Å; L240-T257 HydrophobicContact CD1-CG2 4.44Å; P241-T257 WeakPolarHBondContact O-CB 3.21Å; P241-T257 PolarHBondContact O-OG1 3.48Å; K242-T257 PolarHBondContact O-N 3.07Å; K242-T257 PolarHBondContact O-OG1 3.08Å; Y255-T257 PolarHBondContact O-N 3.3Å; T257-F259 PolarHBondContact O-N 3.21Å; T257-V260 PolarHBondContact O-N 3.05Å; T257-V260 VanDerWaalsContact O-N 3.15Å
258R88.4Confident77.9Confident111 Ų11142.1 Ų42.142%0.41922%0.221SC..G310 helixtrans-63.9-22.6177.1-172.7174.9178100.1-7.2113.4L100 L105 P256 V260L100-R258 PolarHBondContact O-NH2 3.49Å; L105-R258 VanDerWaalsContact CD1-O 3.22Å; L105-R258 WeakPolarHBondContact CD1-O 3.29Å; P256-R258 PolarHBondContact O-N 3.49Å; P256-R258 VanDerWaalsContact O-N 3.11Å; R258-V260 VanDerWaalsContact C-N 3.35Å
259F91.8Very high74.8Confident3 Ų347.9 Ų47.91%0.01326%0.261CS..G310 helixtrans-93.84.6179.8-71.3-111000112.5L100 A176 Y210 F212 Y255 P256 T257L100-F259 HydrophobicContact CD1-CZ 4.46Å; L100-F259 HydrophobicContact CD2-CE1 3.9Å; L100-F259 HydrophobicContact CD2-CZ 3.75Å; A176-F259 HydrophobicContact CB-CB 4.23Å; A176-F259 HydrophobicContact CB-CD1 4.02Å; A176-F259 PolarHBondContact N-O 3.14Å; Y210-F259 HydrophobicContact CD1-CE1 4.07Å; Y210-F259 HydrophobicContact CD1-CZ 4.26Å; Y210-F259 HydrophobicContact CG-CE1 4.35Å; Y210-F259 HydrophobicContact CG-CZ 4.2Å; F212-F259 HydrophobicContact CD1-CE2 4.01Å; F212-F259 HydrophobicContact CD1-CZ 4.33Å; F212-F259 AromaticContact CE1-CE2 3.61Å; F212-F259 HydrophobicContact CE1-CE2 3.61Å; F212-F259 HydrophobicContact CE1-CZ 4.19Å; F212-F259 HydrophobicContact CZ-CE2 4.36Å; Y255-F259 HydrophobicContact CD1-CB 3.97Å; Y255-F259 HydrophobicContact CE1-CB 3.61Å; P256-F259 HydrophobicContact CB-CD2 3.85Å; P256-F259 HydrophobicContact CB-CE2 4.45Å; P256-F259 HydrophobicContact CG-CD2 4.41Å; P256-F259 PolarHBondContact O-N 3.45Å; T257-F259 PolarHBondContact O-N 3.21Å
260V92.3Very high72.1Confident3 Ų348.6 Ų48.62%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-103.7113.4-179.5-171.90000109.6L160 V173 L175 V184 I244 V246 Y255 T257 R258L160-V260 HydrophobicContact CD2-CB 4.26Å; L160-V260 HydrophobicContact CD2-CG1 4.04Å; V173-V260 HydrophobicContact CB-CG1 3.54Å; V173-V260 HydrophobicContact CG1-CG1 3.55Å; V173-V260 HydrophobicContact CG2-CG1 3.84Å; L175-V260 HydrophobicContact CD2-CB 4.36Å; L175-V260 HydrophobicContact CD2-CG1 4.13Å; L175-V260 HydrophobicContact CD2-CG2 3.83Å; V184-V260 HydrophobicContact CG2-CG1 4.24Å; I244-V260 HydrophobicContact CG2-CG2 4.05Å; V246-V260 HydrophobicContact CG2-CG2 4.23Å; Y255-V260 HydrophobicContact CD1-CG2 4.23Å; T257-V260 PolarHBondContact O-N 3.05Å; T257-V260 VanDerWaalsContact O-N 3.15Å; R258-V260 VanDerWaalsContact C-N 3.35Å
261G91.1Very high69.4Low1 Ų151.7 Ų51.71%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-99.9151.4176.500000112.6V173 I174V173-G261 CarbonylContact C-O 3.59Å; V173-G261 VanDerWaalsContact CA-O 3.27Å; V173-G261 WeakPolarHBondContact CA-O 3.48Å; V173-G261 WeakPolarHBondContact CB-O 3.42Å; I174-G261 WeakPolarHBondContact CG2-O 3.48Å; I174-G261 PolarHBondContact N-O 3.37Å; I174-G261 PolarHBondContact O-N 3.05Å
262L89.7Confident66.5Low1 Ų157.5 Ų57.51%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-104.9125.2173.8-70.4173.7000110.8Y117 I157 Y158 L160 A164 Q171 V173Y117-L262 HydrophobicContact CD2-CD1 3.88Å; Y117-L262 HydrophobicContact CE2-CD1 4.04Å; I157-L262 WeakPolarHBondContact CA-O 3.32Å; Y158-L262 PolarHBondContact N-O 3.21Å; Y158-L262 PolarHBondContact O-N 3.15Å; L160-L262 HydrophobicContact CD1-CD1 3.9Å; L160-L262 HydrophobicContact CD1-CD2 3.57Å; L160-L262 HydrophobicContact CD1-CG 3.71Å; A164-L262 HydrophobicContact CB-CD1 3.52Å; Q171-L262 HydrophobicContact CB-CD2 4.32Å; Q171-L262 HydrophobicContact CG-CD2 3.06Å; Q171-L262 HydrophobicContact CG-CG 4.49Å; V173-L262 HydrophobicContact CG1-CD2 3.95Å
263T79.1Confident63.4Low14 Ų1463.1 Ų63.19%0.08635%0.347CS..EExtended strand (participates in β ladder)trans-112128.5169.8530000109I157 I174I157-T263 HydrophobicContact CG1-CG2 4.06Å; I174-T263 HydrophobicContact CB-CG2 4.49Å; I174-T263 HydrophobicContact CG2-CG2 3.92Å
264F70.2Confident60.4Low49 Ų4968 Ų6822%0.21538%0.377CS..  trans-92.4104.3169.2-65.1-78.8000108.7Y117 Y158 E266Y117-F264 HydrophobicContact CD2-CZ 4.22Å; Y117-F264 HydrophobicContact CE2-CE1 4.26Å; Y117-F264 HydrophobicContact CE2-CE2 4.02Å; Y117-F264 AromaticContact CE2-CZ 3.33Å; Y117-F264 HydrophobicContact CE2-CZ 3.33Å; Y117-F264 AromaticContact CZ-CZ 3.69Å; Y158-F264 AromaticContact CD2-CD2 3.62Å; Y158-F264 HydrophobicContact CD2-CD2 3.62Å; Y158-F264 AromaticContact CD2-CE2 3.5Å; Y158-F264 HydrophobicContact CD2-CE2 3.5Å; Y158-F264 VanDerWaalsContact CD2-CE2 3.5Å; Y158-F264 AromaticContact CE2-CD2 3.51Å; Y158-F264 HydrophobicContact CE2-CD2 3.51Å; Y158-F264 AromaticContact CE2-CE2 3.62Å; Y158-F264 HydrophobicContact CE2-CE2 3.62Å; Y158-F264 HydrophobicContact CG-CE2 4.19Å; F264-E266 PolarHBondContact O-N 3.38Å
265D53.3Low57.7Low138 Ų13874 Ų7474%0.73841%0.41SS*.PPolyproline II helixtrans-70.2118.1153.9-72.3-31000106P267D265-P267 VanDerWaalsContact O-CD 3.23Å; D265-P267 WeakPolarHBondContact O-CD 3.33Å; D265-P267 VanDerWaalsContact O-N 3.07Å
266E37.9Very low54.6Low137 Ų13783.5 Ų83.564%0.6445%0.446SS*.PPolyproline II helixtrans-57118.4167.1-86.2-153.214100106.8F264 T268F264-E266 PolarHBondContact O-N 3.38Å; E266-T268 PolarHBondContact O-N 3.32Å
267P29.4Very low51.6Low117 Ų11791 Ų9176%0.7649%0.486SS*.PPolyproline II helixtrans-62.5116.6171.726.3-30.1000105.4D265 S269D265-P267 VanDerWaalsContact O-CD 3.23Å; D265-P267 WeakPolarHBondContact O-CD 3.33Å; D265-P267 VanDerWaalsContact O-N 3.07Å; P267-S269 PolarHBondContact O-N 2.93Å
268T26.7Very low48.6Very low85 Ų8593.3 Ų93.352%0.52151%0.513SS..  trans-49.2115.6159.937.40000105.9E266 S270 L853E266-T268 PolarHBondContact O-N 3.32Å; T268-S270 PolarHBondContact O-N 3.48Å; T268-L853 HydrophobicContact CG2-CD1 3.85Å; T268-L853 HydrophobicContact CG2-CG 4.19Å
269S24Very low45.7Very low122 Ų12295.8 Ų95.885%0.85353%0.534SS*.  trans-64.278.3166.553.80000107.5P267P267-S269 PolarHBondContact O-N 2.93Å
270S26.8Very low42.6Very low59 Ų59103.1 Ų103.141%0.41357%0.568SS.*  trans-89.6102.8160.162.90000106.6T268 D272T268-S270 PolarHBondContact O-N 3.48Å; S270-D272 PolarHBondContact O-N 3.43Å
271S24.5Very low39.6Very low98 Ų98113.3 Ų113.369%0.68561%0.606SS**  trans-37.2122.6153.5470000111.5
272D25.8Very low36.8Very low132 Ų132118.8 Ų118.871%0.70664%0.64SS**  trans-159.969.9151.8-100.2-20.6000109.6S270 K850S270-D272 PolarHBondContact O-N 3.43Å; D272-K850 IonicContact OD2-NZ 2.66Å; D272-K850 PolarHBondContact OD2-NZ 2.67Å
273E25.9Very low33.7Very low179 Ų179125.5 Ų125.584%0.83668%0.681SS**  trans-114.6131.4137.4-82.3-163.3151.700103.5
274T28.8Very low31.4Very low104 Ų104128.5 Ų128.564%0.63872%0.715SS**  cis-172.6150.12013.40000106.7
275I31.7Very low29.4Very low177 Ų177133.4 Ų133.491%0.90874%0.743SS**  trans-123.1106.5140.1-64.5-173.6000108.1
276R27.3Very low28.3Very low202 Ų202131.8 Ų131.876%0.76274%0.739SS**  trans-62.4148169.3-69.8174.7163170.4-4.1111.5
277N29Very low27.7Very low159 Ų159131.8 Ų131.885%0.8574%0.743SS**  165.6130.1108.2-80-29.3000109.2
278G26Very low27.7Very low68 Ų68134.2 Ų134.270%0.70174%0.744SS**  cis175.6173.40.600000112.9
279L29.3Very low27.8Very low163 Ų163137.8 Ų137.885%0.85376%0.755SS**  trans-163.2110.7145.3-142.676.3000110
280Q26.6Very low27.8Very low157 Ų157140.5 Ų140.573%0.73475%0.754SS**  trans37.9134.5140.6-84.7176-2.400124.2
281R29.1Very low27.8Very low217 Ų217142.8 Ų142.882%0.81978%0.776SS**  trans83.8135.7149.2-66.8169.3-178.1-165.80.9116.4
282T30.9Very low28Very low117 Ų117146.6 Ų146.672%0.71878%0.78SS**  cis-169.9131.5820.90000109.6
283T26.2Very low27.9Very low142 Ų142147.9 Ų147.987%0.87178%0.782SS**  trans32.1129.9137.557.80000124
284G29.2Very low27.8Very low76 Ų76146.6 Ų146.678%0.78478%0.781SS**  trans120.9145.9138.200000115
285D28.5Very low27.7Very low152 Ų152147.9 Ų147.981%0.81379%0.788SS**  cis-172.4154.4-27.4-138.4-14.3000105.8
286T30.2Very low27.2Very low105 Ų105144.9 Ų144.964%0.64478%0.782SS**  trans69.8111.7153.340.10000124
287D26.7Very low27Very low136 Ų136142.4 Ų142.473%0.72778%0.781SS**  92.6136111.3-73.5-12000125.3
288Q29.5Very low26.9Very low168 Ų168142.1 Ų142.179%0.78577%0.774SS**  trans84.8134.2154-7416939.500118.2
289Q27.9Very low26.9Very low160 Ų160147.7 Ų147.775%0.74879%0.787SS**  cis-169.3158-1-164.2153.7-1.200109.3
290E23.7Very low26.6Very low180 Ų180144.2 Ų144.284%0.84178%0.776SS**  trans-55145-179.5-60.8163.5131.100116.3
291A28Very low26.7Very low106 Ų106143.1 Ų143.188%0.87678%0.775SS**  trans-147.2133.3143.100000110.5
292K27.6Very low26.6Very low178 Ų178140.5 Ų140.577%0.77478%0.777SS**  trans-77.3156.4-167.3-72.3174164.2-170.60115.8
293E23.6Very low26.3Very low160 Ų160146 Ų14675%0.74879%0.785SS**  trans57.3145.6133.7-68.8171147.100122.2
294D23.2Very low26.2Very low151 Ų151146.2 Ų146.281%0.80778%0.775SS**  trans80.9105.8168.2-64.4-23.2000118.8
295V26.7Very low25.9Very low131 Ų131148.9 Ų148.979%0.79477%0.771SS**  -160.5105.4110.2176.60000109.8
296C22.5Very low25.9Very low115 Ų115148 Ų14878%0.77777%0.765SS**  trans-90.2150.4141.6-172.70000107.3
297M23.5Very low25.5Very low150 Ų150149.1 Ų149.174%0.73978%0.775SS**  trans86.790.6172.4-53.5-72.5-80.900117.8
298H26.2Very low25.3Very low152 Ų152150.2 Ų150.270%0.70478%0.776SS**  trans-161.752.4143.4-104.1-45.5000114
299L26Very low25.2Very low185 Ų185150.3 Ų150.397%0.96977%0.774SS**  trans-106.538.1168.7-137.595.3000113.1
300S23.7Very low25.1Very low90 Ų90148.6 Ų148.663%0.62977%0.774SS**SBendtrans-129.610.9-178.852.40000115.8
301N26.9Very low25.1Very low134 Ų134149.9 Ų149.972%0.71778%0.777SS**SBendtrans-12024.1-178.5-81.1-16000115.7
302L28.1Very low24.9Very low163 Ų163153.1 Ų153.185%0.85377%0.774SS**SBendtrans-116.627.9177.4-136.1129.9000113.5
303R25Very low24.8Very low232 Ų232147.8 Ų147.888%0.87577%0.77SS**SBendtrans-143.150.1-177.3-63.8-173.5174.6-176.8-1.9113.3
304H22.7Very low24.9Very low147 Ų147148.1 Ų148.168%0.68178%0.776SS**SBendtrans-146-61.2168-105.8-85.8000109.5I306 C307H304-I306 PolarHBondContact O-N 3.27Å; H304-C307 PolarHBondContact O-N 3.29Å
305L24Very low24.9Very low132 Ų132147.9 Ų147.969%0.69178%0.779SS**THydrogen-bonded Turntrans-59130140.7-89.464.1000106.3
306I27.4Very low24.8Very low134 Ų134145.4 Ų145.469%0.68777%0.773SS**THydrogen-bonded Turncis-117.780.23.6-63.6169.8000107.4H304 K309H304-I306 PolarHBondContact O-N 3.27Å; I306-K309 HydrophobicContact CG2-CB 4.08Å
307C22.6Very low25Very low127 Ų127147.8 Ų147.886%0.85878%0.778SS**SBendtrans-109.123.3157.5-930000110.9H304H304-C307 PolarHBondContact O-N 3.29Å
308E23.5Very low25.1Very low159 Ų159149.8 Ų149.874%0.74379%0.786SS**SBendtrans-140.928.1-177.1-138.6-178.9-164.300113.3
309K26.4Very low25.2Very low170 Ų170154.5 Ų154.574%0.73980%0.797SS**SBendtrans-135.219169.7-82.9-149.5172.6-166.30115.3I306I306-K309 HydrophobicContact CG2-CB 4.08Å
310V26.3Very low25.2Very low124 Ų124151.4 Ų151.475%0.75279%0.79SS**SBendtrans-119.7-0.4174.2-176.50000112
311F23.3Very low25.2Very low208 Ų208151.5 Ų151.591%0.91280%0.796SS**SBendtrans-106.210.9173.7-113.3-87.5000114.7
312E23.6Very low25.2Very low174 Ų174152 Ų15281%0.81380%0.804SS**SBendtrans-115.516.8171.4-81.7-171.9149.900113.1
313G26.6Very low24.9Very low66 Ų66152.8 Ų152.868%0.6880%0.803SS**SBendtrans-103.3-1.6-18000000116
314L24Very low25.1Very low167 Ų167147.7 Ų147.787%0.87480%0.8SS**SBendtrans-120.315.6-171.9-90.8157.8000114.4
315V24.9Very low25.2Very low145 Ų145145.4 Ų145.488%0.87980%0.8SS**SBendtrans-131.263.1167.8-171.60000109.4
316A24.6Very low25.4Very low80 Ų80145.1 Ų145.166%0.66181%0.807SS**  trans-17086.6160.500000109.7
317N26.3Very low25.5Very low164 Ų164144.3 Ų144.388%0.87781%0.813SS**  trans16977.6136.1-85.4-20.9000111.1
318Q25.9Very low25.8Very low193 Ų193143.9 Ų143.990%0.90281%0.809SS**  trans-155.287.5141.7-105.5-174.528.100107.7
319R27.8Very low25.9Very low251 Ų251144.1 Ų144.195%0.94781%0.814SS**  trans-166.4142.7139.6-104.5167.4-163.1-175.55.8110.4
320C25.5Very low26.1Very low120 Ų120141.9 Ų141.981%0.81182%0.817SS**  trans-54.7154.5-169.2-57.70000115.6
321A23.4Very low26.4Very low92 Ų92141.6 Ų141.676%0.7682%0.817SS**  trans23.9111.6133.100000117.5
322T27Very low26.7Very low143 Ų143136.5 Ų136.588%0.87781%0.814SS**  -168.8132.2118.626.40000108.6
323E22.6Very low27.1Very low180 Ų180132.1 Ų132.184%0.84181%0.808SS**  trans-54.3160.1167.6-51.2-173.1136.800111.5
324P27.8Very low27.2Very low125 Ų125138 Ų13881%0.81281%0.814SS**  -139.9148.682.526.8-5.9000115.4
325S26.1Very low27.5Very low99 Ų99138.6 Ų138.669%0.69281%0.813SS**PPolyproline II helixtrans-46.6149.9173.759.70000116.8
326P27.9Very low27.6Very low127 Ų127139.4 Ų139.483%0.82581%0.811SS**PPolyproline II helixtrans-82.5135.215733.4-27.5000110.9
327S28.8Very low28.3Very low116 Ų116140.4 Ų140.481%0.81181%0.811SS**PPolyproline II helixtrans-72162.5-172.636.20000115.6
328P29.3Very low28.4Very low119 Ų119142.8 Ų142.877%0.77381%0.808SS**  trans-128.1117.4153.532.6-16.5000113.9
329L26.8Very low28.6Very low163 Ų163138.9 Ų138.985%0.85379%0.793SS**  trans51.7145.3147.4-61.1168.7000121.3
330P30.3Very low28.8Very low123 Ų123133 Ų13380%0.79978%0.78SS**  -137.9161.6116.337.1-25.1000114.5
331P32.8Very low29Very low118 Ų118133.2 Ų133.277%0.76677%0.773SS**  trans-97.5148-17836.5-30.4000114.4
332A29.5Very low29.3Very low102 Ų102136.1 Ų136.184%0.84377%0.771SS**  trans56.9142.4144.400000119
333A30.3Very low29.4Very low82 Ų82133.8 Ų133.868%0.67876%0.761SS**  cis-171.5170.324.100000110.9
334K30.5Very low29.8Very low189 Ų189132 Ų13282%0.82276%0.758SS**  trans80.3129.5160.4-61.6-179.5-178.2-1760115.5
335E28.9Very low29.7Very low179 Ų179130.5 Ų130.584%0.83675%0.75SS**  cis-158.3156.921.7-114.4163.5-150.500110.7
336L28.3Very low29.6Very low163 Ų163131.3 Ų131.385%0.85375%0.754SS**  trans-81.6-173.3-179.4-85156.8000112.2
337P38.8Very low29.7Very low101 Ų101131.5 Ų131.566%0.65675%0.753SS**  cis-143.7-174.6-35.236.8-17.1000115.4
338R28.6Very low29.5Very low213 Ų213134.5 Ų134.580%0.80475%0.754SS**  trans107.5123.4136.8-90.2-176.3179.5169.42121.4
339D30.3Very low29.8Very low112 Ų112133.9 Ų133.960%0.59975%0.75SS**  trans92107.6130.7-64.2-16.5000122
340N30.4Very low29.8Very low127 Ų127131.8 Ų131.868%0.67974%0.744SS**  76.5130.5115.9-61.8-19.6000122.5
341N29.8Very low29.6Very low124 Ų124132.5 Ų132.566%0.66375%0.746SS**  trans70.6145.8135.3-74.815.7000117.7
342E29.8Very low29.4Very low153 Ų153131.1 Ų131.172%0.71575%0.745SS**  cis-170154.38.9-121.4161.815600108.2
343S29.7Very low29.3Very low95 Ų95130.7 Ų130.766%0.66474%0.741SS**  trans62.8145.8137.393.10000118.7
344D30.1Very low29.1Very low143 Ų143132.6 Ų132.677%0.76575%0.75SS**  cis-171.5173.927.7-92.9-48.9000105.8
345S26Very low28.9Very low92 Ų92128.2 Ų128.264%0.64375%0.748SS**  cis177.8153.6-31.662.50000105.4
346C24.3Very low29Very low116 Ų116125.5 Ų125.578%0.78475%0.75SS**  trans61.8143.7161.9-83.70000119.1
347T30Very low28.8Very low132 Ų132123 Ų12381%0.8175%0.745SS**  cis-172.8150.738.8-11.40000108.7
348Q25.9Very low28.9Very low178 Ų178123.1 Ų123.183%0.83275%0.746SS**  trans-72.6-172.5160.7-55.6-172.2-33.600110.4
349P35.3Very low28.9Very low106 Ų106119.7 Ų119.769%0.68874%0.744SS**  cis-146.5179.10.541.2-18.8000117.3
350T26.4Very low28.8Very low119 Ų119122.8 Ų122.873%0.7376%0.755SS**  trans38.4125.9147430000125.8
351V26.5Very low28.8Very low138 Ų138121.3 Ų121.384%0.83675%0.754SS**  82.7129.7124.6178.20000122.3
352A28Very low28.7Very low89 Ų89122.7 Ų122.774%0.73677%0.767SS**  trans96.297.9148.600000121.6
353A26.7Very low28.6Very low94 Ų94118.5 Ų118.578%0.77777%0.765SS**  61.4140.5108.700000123.7
354S26.9Very low28.4Very low122 Ų122117 Ų11785%0.85376%0.758SS**  trans83.4139.515575.50000116.7
355A25.8Very low27.9Very low96 Ų96121.8 Ų121.879%0.79377%0.766SS**  cis-169.7148.7-2.400000108.3
356S30.3Very low27.7Very low123 Ų123120.8 Ų120.886%0.8675%0.751SS**  trans-173.6124.1136.756.20000111.2
357S26.1Very low27.5Very low109 Ų109125 Ų12576%0.76276%0.756SS**  trans-89.7-161.7174.555.50000111.1
358P40.6Very low27.1Very low105 Ų105124.9 Ų124.968%0.68275%0.75SS**  -138.3-149.9-59.338.7-17.2000111.5
359D27.4Very low26.9Very low141 Ų141120.9 Ų120.975%0.75474%0.735SS**  trans97.4130.8176-66.9-13.8000113.6
360E28.7Very low26.3Very low176 Ų176121 Ų12182%0.82273%0.728SS**  cis-165.415810.1-107.5171.716200102.9
361S30.5Very low26.1Very low96 Ų96118 Ų11867%0.67171%0.712SS**  cis179.6143.226.945.80000108.2
362V27Very low26Very low153 Ų153118.1 Ų118.193%0.92770%0.704SS**  52.9133.6127.5-1710000119.3
363G27.8Very low25.9Very low65 Ų65120.6 Ų120.667%0.6771%0.705SS**  cis167.7172.37.800000111
364A25.3Very low25.8Very low64 Ų64123.2 Ų123.253%0.52971%0.705SS.*  trans53.5132.9153.700000120.5
365W21.4Very low25.9Very low244 Ų244123.2 Ų123.292%0.92470%0.702SS**  cis95.816945.1-68.2141.4000115.2
366E20.8Very low25.9Very low70 Ų70123.6 Ų123.633%0.32770%0.698SS.*  trans98.253.9152.6-65.1148.1-100.400124.2R624E366-R624 IonicContact OE1-CZ 3.48Å; E366-R624 IonicContact OE1-NE 3.33Å; E366-R624 PolarHBondContact OE1-NE 3.36Å; E366-R624 IonicContact OE1-NH2 2.77Å; E366-R624 PolarHBondContact OE1-NH2 2.91Å; E366-R624 WeakPolarHBondContact OE2-CG 3.47Å; E366-R624 IonicContact OE2-CZ 3.65Å; E366-R624 IonicContact OE2-NE 2.83Å; E366-R624 PolarHBondContact OE2-NE 3.41Å; E366-R624 IonicContact OE2-NH2 3.7Å
367F19.8Very low25.8Very low204 Ų204129.5 Ų129.590%0.89570%0.702SS**  trans79.2162.4138.6-81.7-95.8000125.7
368L21.4Very low25.8Very low131 Ų131129.4 Ų129.469%0.68670%0.7SS**  trans-38.8146.2-178.5-90.699.6000122.9
369D22.8Very low25.1Very low94 Ų94134.8 Ų134.850%0.50371%0.706SS.*  63.9-175.7120.3-150.918.2000123.2P619D369-P619 WeakPolarHBondContact O-CA 3.31Å; D369-P619 WeakPolarHBondContact O-CB 3.42Å
370I23.2Very low25.1Very low108 Ų108136.5 Ų136.555%0.55471%0.71SS**  trans93.776.8178.6-49.8168.1000112.8Q372 C618I370-Q372 PolarHBondContact O-N 3.02Å; I370-C618 WeakPolarHBondContact O-CA 3.46Å; I370-C618 WeakPolarHBondContact O-CB 3.15Å
371S21.8Very low25Very low57 Ų57138.5 Ų138.540%0.39972%0.716SS.*  trans-30.9121.3156.239.30000112.7P617 C618S371-P617 CarbonylContact C-O 3.14Å; S371-P617 WeakPolarHBondContact CA-O 3.16Å; S371-C618 PolarHBondContact N-SG 3.43Å
372Q24.3Very low24.7Very low140 Ų140139.3 Ų139.365%0.65472%0.717SS**  trans-152.2109.9160.5-71.1-154.94.500113I370 P617I370-Q372 PolarHBondContact O-N 3.02Å; Q372-P617 PolarHBondContact N-O 2.88Å
373N26.5Very low24.6Very low141 Ų141134.8 Ų134.875%0.75470%0.701SS**  trans60.5108.2132.7-67.1-14.2000121.7
374D24.1Very low24.4Very low148 Ų148138.3 Ų138.379%0.79170%0.703SS**  trans-12.9146.5139.9-79.9-37.5000117.3
375P29.3Very low24.3Very low122 Ų122144.3 Ų144.379%0.79272%0.717SS**  -151.2177.252.341.8-21.2000119.5
376C24.7Very low24.4Very low104 Ų104137.8 Ų137.870%0.70371%0.708SS**  trans-50135.4171.6171.40000116.2
377R29.4Very low24.5Very low247 Ų247140.1 Ų140.193%0.93272%0.719SS**  trans-154127.2135.8-111.2178.2-171.6-166.33.4111.7
378C24.4Very low24.7Very low107 Ų107138.6 Ų138.672%0.72372%0.719SS**  trans-55.8151.4-179.3-42.70000113.5
379R25.8Very low24.8Very low218 Ų218139.3 Ų139.382%0.82372%0.716SS**  trans6689.9132.9-164.6-177.3-168.2172.83.1116.8
380E28.9Very low24.9Very low177 Ų177140.9 Ų140.983%0.82773%0.733SS**  -179.789.5125.1-101.8177-175.300112
381K26.6Very low24.9Very low218 Ų218144.4 Ų144.495%0.94875%0.745SS**  -134.575.6122.5-87-169.2-179.9177.20106.1
382V23.8Very low24.9Very low114 Ų114149.9 Ų149.969%0.69176%0.764SS**  trans-113.2121.1168177.10000105.7
383G23.9Very low25.1Very low58 Ų58152.8 Ų152.860%0.59878%0.775SS**  trans145.6116.116800000113.1
384I24.3Very low25Very low138 Ų138156 Ų15671%0.70878%0.782SS**  75.4129.169.4-67.5167000109.3C386I384-C386 HydrophobicContact CG1-CB 4.37Å
385F22.5Very low25.3Very low190 Ų190152 Ų15283%0.83378%0.775SS**  cis-79.210629.5-64.5-73.5000118.8H387F385-H387 PolarHBondContact O-N 3.42Å
386C23.9Very low25.1Very low107 Ų107154.9 Ų154.972%0.72378%0.778SS**  -59.1114.2123.7-1650000106.8I384I384-C386 HydrophobicContact CG1-CB 4.37Å
387H23.3Very low25.4Very low120 Ų120155 Ų15556%0.55678%0.775SS**  trans-169.798.2152.5-113.3-55.7000111.1F385 K389F385-H387 PolarHBondContact O-N 3.42Å; H387-K389 WeakPolarHBondContact ND1-CG 3.45Å
388L23.4Very low25.5Very low171 Ų171151.8 Ų151.890%0.89577%0.768SS**  -137.293.7111.9-94.2122.7000105.4
389K25Very low25.6Very low147 Ų147152.1 Ų152.164%0.63977%0.771SS**  66.9109.191.5-77.2-170.1176.3170.20111.8H387 F391H387-K389 WeakPolarHBondContact ND1-CG 3.45Å; K389-F391 PolarHBondContact O-N 2.97Å
390C23.1Very low25.9Very low127 Ų127152.7 Ų152.786%0.85877%0.773SS**  trans-41.8123.8146.4-65.60000111.2
391F23.4Very low26.2Very low182 Ų182149.5 Ų149.580%0.79877%0.765SS**  trans-135.7105.5137.1-104.3-87.9000104K389K389-F391 PolarHBondContact O-N 2.97Å
392Q22.6Very low26.2Very low172 Ų172143.3 Ų143.380%0.80475%0.75SS**  35.6108.682.6-98.7-168.3-8.200113.3
393K29.2Very low26.6Very low201 Ų201145.1 Ų145.187%0.87476%0.755SS**  trans-20.5128152.6-72.8175.6171.4177.30114.5
394K23.6Very low26.7Very low209 Ų209145.5 Ų145.591%0.90976%0.759SS**  -139.6113.8122.2-88.6-174.3178.5177.20105.8
395G30.4Very low27.1Very low62 Ų62147.1 Ų147.164%0.63976%0.761SS**  cis84.297.917.100000109.9
396Q25.3Very low27.4Very low183 Ų183146.1 Ų146.186%0.85576%0.758SS**  trans-164.4131.3155.1-88.5-161.3-22.700103.2
397T29.9Very low27.6Very low106 Ų106143.7 Ų143.765%0.6575%0.751SS**  cis179.6138.128.4200000103.9
398K32.4Very low27.7Very low180 Ų180144.6 Ų144.678%0.78376%0.76SS**  -167.8129.654.7-109151.1-177.7-1770106.3
399C27.1Very low27.6Very low114 Ų114144.7 Ų144.777%0.7775%0.753SS**  65.5116.597.2-64.20000111.1
400R31.5Very low27.6Very low230 Ų230145.2 Ų145.287%0.86876%0.757SS**  -17915456.4-108.4168.3167.6169.7-5.4103
401T34.3Very low27.7Very low110 Ų110148.5 Ų148.568%0.67575%0.752SS**  cis-179.5119.133.4110000101.6
402S27.6Very low28Very low88 Ų88149.3 Ų149.362%0.61575%0.749SS**  76.613872.880.80000114.7
403L31.4Very low28Very low153 Ų153151.8 Ų151.880%0.80175%0.751SS**  trans76.9119169.7-73.189.6000114.5
404G27.1Very low28Very low66 Ų66148.4 Ų148.468%0.6874%0.743SS**  cis104120.145.200000105.7
405K31.5Very low28.1Very low172 Ų172143.6 Ų143.675%0.74874%0.736SS**  -174.3140.277-91.6-176.8170.7175.40109.8
406H29.9Very low28.1Very low169 Ų169145.3 Ų145.378%0.78274%0.738SS**  trans51.7135.9136.5-61.5-71.9000118.5
407G28.7Very low28.2Very low56 Ų56143.6 Ų143.658%0.57773%0.733SS**  cis151.8126.225.600000104.8
408L23.5Very low28Very low139 Ų139144.6 Ų144.673%0.72873%0.734SS**  78.8110.3105.6-91.8125.7000113.4
409F21.5Very low28.2Very low172 Ų172142.7 Ų142.775%0.75474%0.74SS**  50.6113.5125.9-78.3-97.4000116.7
410H26.1Very low28.1Very low158 Ų158141.2 Ų141.273%0.73173%0.731SS**  179.5141.3110.1-104.6-62.8000112.9
411R25.4Very low27.8Very low197 Ų197135 Ų13574%0.74372%0.723SS**  trans70.6131.7141.4-79.8177.1172.2169.7-0.6116.1
412R28.6Very low27.4Very low198 Ų198137.6 Ų137.675%0.74773%0.732SS**  cis-15813816-99.8161.3-179.8-174.2-0.8104.9
413R22.6Very low27.3Very low225 Ų225138.7 Ų138.785%0.84974%0.74SS**  50.7118.979.9-100.3-172.9-155.6169.94.4110.4
414D29.2Very low27.1Very low129 Ų129136.3 Ų136.369%0.6974%0.742SS**  -167156.166-75.9-51.7000112.3
415S26.4Very low27Very low109 Ų109141.9 Ų141.976%0.76275%0.75SS**  trans45.4130.814361.50000119.9
416S29.9Very low27.4Very low98 Ų98138.3 Ų138.369%0.68575%0.745SS**  cis-175.6133.947.747.60000113.7
417I27.8Very low27.5Very low147 Ų147136 Ų13675%0.75474%0.742SS**  67.899.1126.2-55.8171.4000119
418N25.6Very low27.5Very low127 Ų127139.9 Ų139.968%0.67975%0.75SS**  86.4154.2101.7-73.8-6.1000115.8
419P35.9Very low28Very low139 Ų139142.9 Ų142.990%0.90376%0.76SS**  -135129103.235.2-22.9000113.3
420S25.4Very low28.5Very low83 Ų83143.3 Ų143.358%0.5877%0.765SS**  trans-139.2119.1163.853.90000108.3
421S26.2Very low29.2Very low101 Ų101141 Ų14171%0.70676%0.764SS**  trans56.7121.914062.50000123.1
422L25.3Very low29.4Very low163 Ų163139.7 Ų139.785%0.85377%0.771SS**  81.1124123.7-79.2154.1000122.7
423S25.3Very low29.7Very low112 Ų112134.3 Ų134.378%0.78376%0.764SS**  trans70.1113.7138.166.60000122
424A28Very low30.1Very low102 Ų102131.1 Ų131.184%0.84376%0.763SS**  -174.3121.512500000110.7
425E24.5Very low30.1Very low183 Ų183128.4 Ų128.486%0.85577%0.766SS**  trans-92.2-171162-71.6-153.2148.800110.4
426P40.3Very low30.1Very low97 Ų97128.6 Ų128.663%0.6377%0.767SS**  cis-132.5178.1-26.418.65.8000112.7
427T31.5Very low30Very low120 Ų120133.9 Ų133.974%0.73677%0.774SS**  trans148.1125.2130.841.40000115.4
428D29.4Very low29.8Very low138 Ų138136.4 Ų136.474%0.73878%0.779SS**  trans62.784.3137.4-51.5-20000121.3
429E33Very low29.7Very low202 Ų202132.8 Ų132.894%0.94477%0.772SS**  -139.5159.6110.2-76.8-158.188.600108.2
430E31Very low29.1Very low182 Ų182132.6 Ų132.685%0.8577%0.773SS**  trans-120.2-111.5-169.8-74.3-168.8104.100116.7
431P41Very low29.1Very low109 Ų109134 Ų13471%0.70878%0.783SS**  -133.2155.8-125.438.5-19.6000117.6
432L31.4Very low29.1Very low170 Ų170136.3 Ų136.389%0.8979%0.792SS**  trans-170.4151.5132.5-108.1170.4000114.6
433S33.7Very low29.1Very low85 Ų85132 Ų13259%0.59479%0.786SS**  trans9.7133.4151.4173.50000119.9
434D30.3Very low29.2Very low157 Ų157131 Ų13184%0.8479%0.785SS**  cis-170.9150.8-5.1-85.8-44.7000103.6
435G29.8Very low29.2Very low72 Ų72133.3 Ų133.374%0.74279%0.789SS**  cis139.8151.727.800000105.7
436S27.1Very low29.4Very low114 Ų114127.6 Ų127.680%0.79778%0.779SS**  cis-176.9171.1-8.157.30000109.3
437Y26.9Very low28.8Very low209 Ų209132.4 Ų132.482%0.8279%0.793SS**  trans-57.7176.4174.8-45.1-83.4000114.7
438F25.2Very low28.8Very low199 Ų199131.5 Ų131.587%0.87379%0.791SS**  cis-158.9-17517.9-141.2-11.2000113.5
439G21.8Very low28.6Very low52 Ų52132.6 Ų132.654%0.53680%0.798SS.*  trans-109.5169.1159.100000112.5
440C23.7Very low28.4Very low134 Ų134126.8 Ų126.891%0.90578%0.784SS**  trans84156.3172.3-63.30000118.2
441S25.9Very low28.3Very low113 Ų113124.3 Ų124.379%0.7978%0.781SS**  trans-141.3140.7-132.9-53.80000117.1
442V26.1Very low27.7Very low150 Ų150124.6 Ų124.691%0.90978%0.781SS**  trans64.5116.5150.5179.70000119.7
443G26.2Very low27.4Very low71 Ų71124.5 Ų124.573%0.73277%0.774SS**  trans161.582.2157.200000109.6
444A27.2Very low27Very low92 Ų92129 Ų12976%0.7678%0.783SS**  88.1136.671.600000114.9
445V27Very low26.7Very low151 Ų151125.3 Ų125.392%0.91577%0.774SS**  trans91.6123.7160.7-161.30000116.8
446G28.4Very low26.4Very low63 Ų63130.7 Ų130.765%0.64978%0.78SS**  cis-174178.37.700000116.5
447E28.9Very low26.2Very low197 Ų197130 Ų13092%0.92177%0.774SS**  trans65.5134.4157.9-63.2-178.9168.100118.7
448S30.2Very low26Very low101 Ų101130.8 Ų130.871%0.70678%0.775SS**  cis-168.71444.550.50000110.2
449D26.6Very low26Very low162 Ų162128 Ų12887%0.86678%0.775SS**  trans63.5134.8145.8-67.1-17.3000125.9
450A28.9Very low26.1Very low80 Ų80129.1 Ų129.166%0.66179%0.787SS**  trans105.198.4136.800000120.7
451T27.3Very low26.1Very low129 Ų129131.1 Ų131.179%0.79179%0.785SS**  75.4138.4128.270.60000121.7
452T28.9Very low26.1Very low115 Ų115131.1 Ų131.171%0.70678%0.78SS**  trans10798.4138.5-52.70000119.1
453F25.9Very low26.1Very low169 Ų169132.6 Ų132.674%0.74178%0.777SS**  trans83.2125.6130-89.2-115.4000123.8
454K24.5Very low26.1Very low180 Ų180134.1 Ų134.178%0.78378%0.783SS**  38.6117.5128.3-82.3-173.1176.9178.10118.4
455A24.1Very low26.1Very low79 Ų79134.4 Ų134.465%0.65379%0.785SS**  88.312572.300000113.5
456Q23.7Very low26.4Very low184 Ų184133.3 Ų133.386%0.8678%0.781SS**  trans54.8144166-64.9179.4-24.200115
457C23.3Very low26.3Very low100 Ų100135.3 Ų135.368%0.67679%0.785SS**  170.6156.884.7-87.90000108.7
458R22.7Very low26.6Very low225 Ų225131.4 Ų131.485%0.84978%0.777SS**  trans33124.6136.2-69.9178.6160.8166.9-5.2118.7G460R458-G460 PolarHBondContact O-N 2.89Å
459T23.8Very low26.3Very low141 Ų141132.7 Ų132.787%0.86578%0.78SS**  -15.4112.6125.537.30000114.9
460G25.1Very low26.5Very low76 Ų76131.6 Ų131.678%0.78478%0.78SS**  trans-121.2114.7157.600000107.9R458R458-G460 PolarHBondContact O-N 2.89Å
461M23.5Very low26.3Very low175 Ų175133 Ų13386%0.86278%0.78SS**  trans-67.8178.6175.7-73.2178.761.900112.9
462V26.2Very low26.4Very low114 Ų114133.3 Ų133.369%0.69179%0.786SS**  trans105.5118.7148.9-167.50000111.1
463E26.1Very low26.2Very low180 Ų180134.4 Ų134.484%0.84179%0.787SS**  cis-164.2134.439.8-144.2150.1-144.600112
464A26.8Very low26.3Very low104 Ų104132.7 Ų132.786%0.8679%0.786SS**SBendtrans-171.892.6138.200000109.4
465A25.5Very low26.4Very low97 Ų97132.7 Ų132.780%0.80279%0.786SS**  trans143.1119.5145.200000112.2
466P33.8Very low26.6Very low129 Ų129135.3 Ų135.384%0.83879%0.789SS**  trans-102.3166-173.439.2-33.3000114.1
467S26.5Very low26.8Very low105 Ų105130.6 Ų130.673%0.73478%0.782SS**  trans-73.6168.1166.563.30000111.9
468P35.6Very low27.1Very low114 Ų114131.6 Ų131.674%0.7479%0.785SS**  -156.3155.885.237-15.1000118.4
469V24.3Very low27.2Very low128 Ų128128.8 Ų128.878%0.77678%0.781SS**  trans20.5123.9141.7-168.50000121.2
470T29.1Very low27.5Very low140 Ų140128 Ų12886%0.85977%0.77SS**  trans-142.5135.4137.6-460000110.7
471T25.4Very low27.5Very low110 Ų110128.8 Ų128.868%0.67576%0.764SS**  trans-72.7151178.745.60000115.1
472C29.1Very low27.7Very low135 Ų135128.5 Ų128.591%0.91276%0.76SS**  trans-161.9142.9139.6-97.10000110.9
473N24.8Very low27.6Very low138 Ų138127.5 Ų127.574%0.73876%0.758SS**  trans-92.3171.5-166.5-64.3-29000115.3
474D27.4Very low27.7Very low133 Ų133127.9 Ų127.971%0.71176%0.757SS**  trans69.6138.6147.3-56.4-31.1000118
475F27.8Very low27.7Very low180 Ų180128.4 Ų128.479%0.78975%0.749SS**  cis-149.816013.4-95-90.3000105.1
476D27.7Very low27.7Very low134 Ų134131 Ų13172%0.71775%0.745SS**  cis-165.6139.528.6-124.2-32.2000110.8
477A28.5Very low27.4Very low85 Ų85131.8 Ų131.870%0.70274%0.737SS**  trans42.8136.1134.900000121.1
478V29.1Very low27.3Very low121 Ų121132.3 Ų132.373%0.73374%0.736SS**  cis-165.3121.336.61650000106.3
479Q26.1Very low26.8Very low165 Ų165132.3 Ų132.377%0.77174%0.737SS**  50.6138.2110.2-77.6-167.3-24.900115.9
480I28.3Very low26.8Very low125 Ų125130.5 Ų130.564%0.64174%0.736SS**  cis-176.1139.927.8-114.7164.1000107.3
481S26.7Very low26.6Very low93 Ų93131.3 Ų131.365%0.6573%0.733SS**  trans46.4150.8134.594.30000121.2
482H27.7Very low26.4Very low169 Ų169130.3 Ų130.378%0.78273%0.731SS**  cis179.31421.3-124.1-105.5000106
483S23.9Very low26.2Very low92 Ų92134.2 Ų134.264%0.64373%0.728SS**  trans37121.6141.964.70000122.5
484K28Very low26.3Very low188 Ų188133.2 Ų133.282%0.81773%0.727SS**  170.6120.8110.9-96.7-179.2172.9179.50108.9
485V26.6Very low26.2Very low115 Ų115133.4 Ų133.470%0.69773%0.727SS**  60.3125.483.61720000110.3
486E25.4Very low26.2Very low153 Ų153131 Ų13172%0.71572%0.723SS**  cis-170.6148.71.5-101.1174.5168.200106.3
487H27Very low26.2Very low144 Ų144129.8 Ų129.867%0.66772%0.717SS**  trans45.3114.1137-75-80.9000122.7
488T25Very low26.2Very low116 Ų116135.5 Ų135.571%0.71272%0.721SS**  64.1124.893.253.70000115.3
489C24.6Very low26.2Very low115 Ų115134.1 Ų134.178%0.77772%0.717SS**  -169.5142.570.7-85.80000110.1
490A23.8Very low26.3Very low90 Ų90133.2 Ų133.274%0.74472%0.717SS**  51.612994.200000114
491I25.5Very low26.4Very low156 Ų156134.5 Ų134.580%0.872%0.72SS**  cis-167.5139.343.7-71.8179000110.9
492S22.2Very low26.5Very low90 Ų90136.3 Ų136.363%0.62972%0.718SS**  trans39.7134.8142.699.80000128.3
493Y24.7Very low26.6Very low216 Ų216139 Ų13985%0.84772%0.721SS**  trans80.1110.5135.4-78.3-61.3000122.7
494V25.7Very low26.9Very low118 Ų118144.5 Ų144.572%0.71574%0.736SS**  156.5125102.1174.20000112.8
495N26.6Very low26.9Very low136 Ų136142.9 Ų142.973%0.72773%0.732SS**  trans52.4132.1150.7-64.9-8.4000125.9
496N27Very low27Very low130 Ų130146.6 Ų146.670%0.69574%0.742SS**  trans59.6137.6136.1-76.228000118.8
497D27.4Very low27.3Very low109 Ų109148.6 Ų148.658%0.58375%0.751SS**  cis-176.1153.327.2-123.1-25.3000109.6
498Y28.5Very low27.5Very low205 Ų205150.6 Ų150.680%0.80476%0.76SS**  trans54.3143.7161-63.9-76.9000120
499S29.7Very low27.6Very low91 Ų91153.6 Ų153.664%0.63677%0.766SS**  cis-177.4141.2-3.949.50000108.9
500L27.4Very low27.9Very low146 Ų146157.2 Ų157.276%0.76477%0.772SS**  trans53.9116.2141.2-79.4151.1000121.1
501H30.2Very low28.2Very low153 Ų153162.2 Ų162.271%0.70878%0.78SS**  178.513387.4-122.1-86.6000113
502H30Very low28.4Very low131 Ų131159.1 Ų159.161%0.60678%0.778SS**  trans23.7134.4141.9-83.1-86.7000119.1
503R29.3Very low28.6Very low225 Ų225165 Ų16585%0.84979%0.792SS**  178.1114.453.4-146.2178.9-168.3170.42.4108.7
504Q30.6Very low28.7Very low207 Ų207163.8 Ų163.897%0.96779%0.794SS**  trans-159.481.9144-118.6177.210.100108.3
505Q27.5Very low28.8Very low155 Ų155166.1 Ų166.172%0.72480%0.802SS**  trans-119.888.2-176.1-169.4-178.433.200106
506Q28.1Very low28.8Very low193 Ų193167 Ų16790%0.90281%0.806SS**SBendtrans-166.742.4166.2-121.1177.819.300113
507Q31.8Very low28.7Very low195 Ų195169.8 Ų169.891%0.91182%0.817SS**SBendtrans-162.726167.8-118167.32200115.8
508Q31Very low28.6Very low185 Ų185173.3 Ų173.386%0.86483%0.83SS**  trans-137.649.2173.2-82.6-174.7-9.600112.2
509Q27.6Very low28.5Very low179 Ų179171.3 Ų171.384%0.83683%0.833SS**SBendtrans-126.120.1169-92.2-176.9-5.100113.6
510Q31.4Very low28.2Very low192 Ų192172 Ų17290%0.89784%0.844SS**SBendtrans-121.110172.3-86.3-179.4-13.800114.6
511Q30.7Very low28.1Very low195 Ų195171 Ų17191%0.91184%0.84SS**SBendtrans-128.224.4175.5-92-178-8.500114.3
512A28.8Very low27.8Very low91 Ų91168 Ų16875%0.75283%0.831SS**SBendtrans-133.936174.100000113
513K26.9Very low27.5Very low212 Ų212163.7 Ų163.792%0.92282%0.819SS**SBendtrans-126.522.7170-95.1-171.9176.4-176.30113.3
514Q27.7Very low27.3Very low192 Ų192156.5 Ų156.590%0.89780%0.801SS**SBendtrans-130.124.8-179.3-120.3176.42.800113.5
515L26.8Very low27.1Very low167 Ų167153.6 Ų153.687%0.87478%0.781SS**SBendtrans-140.764.3172.9-94.4154.4000108.2
516N26.6Very low27.1Very low155 Ų155155.2 Ų155.283%0.82979%0.786SS**SBendtrans-168.855.3164.2-100.9-13.9000108.6
517M25.2Very low27Very low187 Ų187148.4 Ų148.492%0.92176%0.76SS**SBendtrans-161.551.3167.8-132.6-179.793.800109.5
518E24.3Very low26.8Very low183 Ų183141 Ų14186%0.85574%0.736SS**  trans-164.886.8171.3-113.7175.9-171.100107.1
519N26.3Very low26.8Very low163 Ų163134.6 Ų134.687%0.87272%0.715SS**  trans-167.956.5161.6-93.3-24.5000108.4
520A24Very low26.8Very low105 Ų105133.7 Ų133.787%0.86871%0.71SS**  trans-99.976.7156.200000106.3
521L25.6Very low26.9Very low127 Ų127129.9 Ų129.967%0.66570%0.696SS**  trans-140.2102.7171.6-100.4155.5000106.4A523L521-A523 PolarHBondContact O-N 2.72Å
522V24.9Very low26.9Very low88 Ų88123.7 Ų123.753%0.53368%0.678SS.*  trans-56119.1171.7-177.60000107L1787 Q1791V522-L1787 HydrophobicContact CB-CD1 4.46Å; V522-L1787 HydrophobicContact CG2-CD1 4.48Å; V522-Q1791 HydrophobicContact CB-CG 4.19Å; V522-Q1791 HydrophobicContact CG1-CG 4.26Å; V522-Q1791 VanDerWaalsContact O-CG 3.3Å; V522-Q1791 WeakPolarHBondContact O-CG 3.34Å
523A23.3Very low26.9Very low41 Ų41127.3 Ų127.334%0.33968%0.676SS.*  trans-117.7144165.400000106.5L521 R525 F1648L521-A523 PolarHBondContact O-N 2.72Å; A523-R525 PolarHBondContact O-N 3.11Å; A523-F1648 HydrophobicContact CB-CZ 3.9Å
524P24Very low27Very low74 Ų74121.5 Ų121.548%0.48166%0.659SS.*  trans-72.686.1177.830.6-30.9000107.5
525R26Very low27.4Very low146 Ų146116 Ų11655%0.55164%0.635SS**  trans-102.284.4174.2-79-173.9174-179.9-2.8108.3A523 D1647 F1648A523-R525 PolarHBondContact O-N 3.11Å; R525-D1647 IonicContact NH2-OD2 3.32Å; R525-F1648 HydrophobicContact CG-CE1 4.05Å; R525-F1648 HydrophobicContact CG-CZ 4.06Å
526F27.6Very low27.6Very low190 Ų190111.2 Ų111.283%0.83362%0.616SS**  trans-104.666.8149.8-78.1-74.9000108.8G528F526-G528 PolarHBondContact O-N 3.06Å
527S27.8Very low28Very low49 Ų49113.6 Ų113.634%0.34361%0.613SS.*  trans-78109.1153.852.60000107.3A529S527-A529 PolarHBondContact O-N 2.95Å
528G27.4Very low28.5Very low40 Ų40109.8 Ų109.841%0.41260%0.596SS.*THydrogen-bonded Turntrans-63.323.7-176.200000117F526F526-G528 PolarHBondContact O-N 3.06Å
529A29.5Very low29Very low50 Ų50105.1 Ų105.141%0.41358%0.577SS.*THydrogen-bonded Turntrans-92.1-23.4-176.500000114.3S527S527-A529 PolarHBondContact O-N 2.95Å
530E28.3Very low29.7Very low160 Ų160100 Ų10075%0.74856%0.557SS**SBendtrans-88.7-23.7-172.2-66.4-160144.900115A532 K533E530-A532 VanDerWaalsContact C-N 3.25Å; E530-A532 PolarHBondContact O-N 3.26Å; E530-K533 PolarHBondContact O-N 3.33Å
531L32.5Very low30.4Very low113 Ų113101.8 Ų101.859%0.59255%0.545SS*.Hα-helixtrans-69.6-22.5173.2-113.494.6000113K533 V534 N535L531-K533 VanDerWaalsContact C-N 3.31Å; L531-K533 PolarHBondContact O-N 3.32Å; L531-V534 PolarHBondContact O-N 2.65Å; L531-N535 PolarHBondContact O-N 3.28Å; L531-N535 VanDerWaalsContact O-N 3.13Å
532A30.7Very low31Very low64 Ų6498.4 Ų98.453%0.52953%0.532SS..Hα-helixtrans-67.1-28.2178.900000113.1E530 S536E530-A532 VanDerWaalsContact C-N 3.25Å; E530-A532 PolarHBondContact O-N 3.26Å; A532-S536 WeakPolarHBondContact O-CB 3.46Å; A532-S536 PolarHBondContact O-N 3.37Å; A532-S536 VanDerWaalsContact O-N 3.17Å; A532-S536 PolarHBondContact O-OG 2.92Å
533K28.8Very low31.7Very low167 Ų167100.6 Ų100.673%0.72654%0.536SS*.Hα-helixtrans-79.5-24.3176.9-80.6-178.9178.3173.80113.6E530 L531 S536E530-K533 PolarHBondContact O-N 3.33Å; L531-K533 VanDerWaalsContact C-N 3.31Å; L531-K533 PolarHBondContact O-N 3.32Å; K533-S536 PolarHBondContact O-OG 3.18Å
534V29.9Very low32.5Very low91 Ų91106 Ų10655%0.55255%0.549SS*.Hα-helixtrans-82.5-38.6176.3-178.30000110.3L531 R537 L538L531-V534 PolarHBondContact O-N 2.65Å; V534-R537 PolarHBondContact O-N 3.3Å; V534-L538 HydrophobicContact CG1-CD1 4.35Å; V534-L538 PolarHBondContact O-N 3.33Å
535N36Very low33.1Very low75 Ų75110.1 Ų110.140%0.40156%0.556SS.*Hα-helixtrans-69.3-32.6174.4-90.8-12.3000113.3L531 R537 L538 L539L531-N535 PolarHBondContact O-N 3.28Å; L531-N535 VanDerWaalsContact O-N 3.13Å; N535-R537 VanDerWaalsContact C-N 3.34Å; N535-R537 PolarHBondContact O-N 2.89Å; N535-L538 PolarHBondContact O-N 2.88Å; N535-L539 VanDerWaalsContact O-CB 3.29Å; N535-L539 WeakPolarHBondContact O-CB 3.4Å; N535-L539 PolarHBondContact O-N 2.89Å
536S32Very low33.7Very low67 Ų67112.5 Ų112.547%0.46957%0.565SS.*Hα-helixtrans-66.8-31.8176.264.80000113.3A532 K533 A540A532-S536 WeakPolarHBondContact O-CB 3.46Å; A532-S536 PolarHBondContact O-N 3.37Å; A532-S536 VanDerWaalsContact O-N 3.17Å; A532-S536 PolarHBondContact O-OG 2.92Å; K533-S536 PolarHBondContact O-OG 3.18Å; S536-A540 WeakPolarHBondContact O-CB 3.26Å; S536-A540 PolarHBondContact O-N 2.99Å
537R33.8Very low34.2Very low206 Ų206109.7 Ų109.778%0.77755%0.553SS**Hα-helixtrans-74.5-31.8173.1-85.2-177.7171.9173.3-1.5113.3V534 N535 K541V534-R537 PolarHBondContact O-N 3.3Å; N535-R537 VanDerWaalsContact C-N 3.34Å; N535-R537 PolarHBondContact O-N 2.89Å; R537-K541 PolarHBondContact O-N 3.43Å; R537-K541 VanDerWaalsContact O-N 3.12Å
538L36.2Very low34.7Very low107 Ų107112.5 Ų112.556%0.5656%0.56SS**Hα-helixtrans-78.3-39.1176.4-98.4143.7000112.3V534 N535 K541 S542V534-L538 HydrophobicContact CG1-CD1 4.35Å; V534-L538 PolarHBondContact O-N 3.33Å; N535-L538 PolarHBondContact O-N 2.88Å; L538-K541 PolarHBondContact O-N 2.85Å; L538-S542 PolarHBondContact O-N 3.18Å
539L34.9Very low35.2Very low85 Ų85115.4 Ų115.445%0.44557%0.566SS.*Hα-helixtrans-66.9-38.1169.8-85.4153.4000111.8N535 K541 S542 Q543N535-L539 VanDerWaalsContact O-CB 3.29Å; N535-L539 WeakPolarHBondContact O-CB 3.4Å; N535-L539 PolarHBondContact O-N 2.89Å; L539-K541 VanDerWaalsContact C-N 3.29Å; L539-K541 PolarHBondContact O-N 3.18Å; L539-S542 PolarHBondContact O-N 2.82Å; L539-S542 PolarHBondContact O-OG 3.22Å; L539-Q543 VanDerWaalsContact O-CB 3.28Å; L539-Q543 WeakPolarHBondContact O-CB 3.05Å; L539-Q543 WeakPolarHBondContact O-CG 3.21Å; L539-Q543 PolarHBondContact O-N 3.44Å
540A41Very low35.6Very low55 Ų55115.9 Ų115.946%0.45557%0.57SS.*Hα-helixtrans-64.7-33.6171.900000112.2S536 Y544S536-A540 WeakPolarHBondContact O-CB 3.26Å; S536-A540 PolarHBondContact O-N 2.99Å; A540-Y544 WeakPolarHBondContact O-CB 3.37Å; A540-Y544 PolarHBondContact O-N 3.36Å
541K38.3Very low36Very low143 Ų143113.4 Ų113.462%0.62256%0.559SS**Hα-helixtrans-72.1-41.3172.7-91.6-175.7173.1-1760112.6R537 L538 L539 Y544 Y545R537-K541 PolarHBondContact O-N 3.43Å; R537-K541 VanDerWaalsContact O-N 3.12Å; L538-K541 PolarHBondContact O-N 2.85Å; L539-K541 VanDerWaalsContact C-N 3.29Å; L539-K541 PolarHBondContact O-N 3.18Å; K541-Y544 WeakPolarHBondContact O-CB 3.46Å; K541-Y544 PolarHBondContact O-N 3.36Å; K541-Y545 WeakPolarHBondContact O-CD2 3.41Å; K541-Y545 PolarHBondContact O-N 3.39Å; K541-Y545 VanDerWaalsContact O-N 3.08Å
542S38.6Very low36.1Very low55 Ų55112 Ų11239%0.38556%0.558SS.*Hα-helixtrans-70.3-34.7177.578.20000112.2L538 L539 Y544 Y545 W546L538-S542 PolarHBondContact O-N 3.18Å; L539-S542 PolarHBondContact O-N 2.82Å; L539-S542 PolarHBondContact O-OG 3.22Å; S542-Y544 VanDerWaalsContact C-N 3.33Å; S542-Y545 PolarHBondContact O-N 3.39Å; S542-W546 PolarHBondContact O-N 3.32Å
543Q38.8Very low36.3Very low135 Ų135117 Ų11763%0.63157%0.568SS**Hα-helixtrans-66.3-32.8170.4-76.2-177.1-18.800112.2L539 K547L539-Q543 VanDerWaalsContact O-CB 3.28Å; L539-Q543 WeakPolarHBondContact O-CB 3.05Å; L539-Q543 WeakPolarHBondContact O-CG 3.21Å; L539-Q543 PolarHBondContact O-N 3.44Å; Q543-K547 WeakPolarHBondContact O-CB 3.43Å; Q543-K547 PolarHBondContact O-N 3.38Å
544Y40.4Very low36.4Very low155 Ų155117 Ų11761%0.60857%0.572SS**Hα-helixtrans-68.3-38.3173.4-162.8-90.1000112.3A540 K541 S542 Q548A540-Y544 WeakPolarHBondContact O-CB 3.37Å; A540-Y544 PolarHBondContact O-N 3.36Å; K541-Y544 WeakPolarHBondContact O-CB 3.46Å; K541-Y544 PolarHBondContact O-N 3.36Å; S542-Y544 VanDerWaalsContact C-N 3.33Å; Y544-Q548 PolarHBondContact O-N 2.74Å
545Y37.6Very low36.2Very low159 Ų159120.6 Ų120.662%0.62458%0.583SS**Hα-helixtrans-70.7-38.1174.6-79.9-71.1000112.6K541 S542 Q548 D549K541-Y545 WeakPolarHBondContact O-CD2 3.41Å; K541-Y545 PolarHBondContact O-N 3.39Å; K541-Y545 VanDerWaalsContact O-N 3.08Å; S542-Y545 PolarHBondContact O-N 3.39Å; Y545-Q548 PolarHBondContact O-N 3.39Å; Y545-D549 WeakPolarHBondContact O-CB 3.37Å; Y545-D549 PolarHBondContact O-N 2.74Å
546W36.9Very low36Very low197 Ų197124.4 Ų124.475%0.74660%0.602SS**Hα-helixtrans-71-32.1174.3-83.339.3000112.7S542 D549 A550S542-W546 PolarHBondContact O-N 3.32Å; W546-D549 PolarHBondContact O-N 3.38Å; W546-A550 VanDerWaalsContact O-CB 3.3Å; W546-A550 WeakPolarHBondContact O-CB 3.05Å; W546-A550 PolarHBondContact O-N 3.43Å
547K38.3Very low35.9Very low131 Ų131130.3 Ų130.357%0.5762%0.622SS**Hα-helixtrans-64.4-46.7170-113.5-170.4166-1700111.5Q543 D549 A550 E551Q543-K547 WeakPolarHBondContact O-CB 3.43Å; Q543-K547 PolarHBondContact O-N 3.38Å; K547-D549 VanDerWaalsContact C-N 3.31Å; K547-D549 PolarHBondContact O-N 3.47Å; K547-A550 PolarHBondContact O-N 3.22Å; K547-E551 VanDerWaalsContact CD-OE1 3.29Å; K547-E551 WeakPolarHBondContact CD-OE1 3.47Å; K547-E551 WeakPolarHBondContact CE-OE1 2.85Å; K547-E551 VanDerWaalsContact CG-OE1 3.32Å; K547-E551 WeakPolarHBondContact CG-OE1 3.44Å; K547-E551 IonicContact NZ-OE1 2.72Å; K547-E551 WeakPolarHBondContact O-CB 3.39Å; K547-E551 VanDerWaalsContact O-CD 3.22Å; K547-E551 WeakPolarHBondContact O-CG 3.44Å; K547-E551 PolarHBondContact O-N 2.71Å
548Q39.7Very low35.5Very low108 Ų108129.1 Ų129.151%0.50563%0.625SS.*Hα-helixtrans-63-35.1176.4-95.7-167.8-20.200113.2Y544 Y545 S552Y544-Q548 PolarHBondContact O-N 2.74Å; Y545-Q548 PolarHBondContact O-N 3.39Å; Q548-S552 WeakPolarHBondContact O-CB 3.5Å; Q548-S552 PolarHBondContact O-N 2.87Å
549D37.9Very low35.2Very low101 Ų101130.4 Ų130.454%0.5464%0.638SS.*Hα-helixtrans-77.9-33.7-178.8-134.324.6000112.5Y545 W546 K547 S552 K553Y545-D549 WeakPolarHBondContact O-CB 3.37Å; Y545-D549 PolarHBondContact O-N 2.74Å; W546-D549 PolarHBondContact O-N 3.38Å; K547-D549 VanDerWaalsContact C-N 3.31Å; K547-D549 PolarHBondContact O-N 3.47Å; D549-S552 PolarHBondContact O-OG 3.02Å; D549-K553 PolarHBondContact O-N 3.49Å
550A38.1Very low35Very low59 Ų59135.3 Ų135.349%0.48866%0.659SS.*Hα-helixtrans-71-46.3169.600000111.8W546 K547 S552 K553 M554W546-A550 VanDerWaalsContact O-CB 3.3Å; W546-A550 WeakPolarHBondContact O-CB 3.05Å; W546-A550 PolarHBondContact O-N 3.43Å; K547-A550 PolarHBondContact O-N 3.22Å; A550-S552 PolarHBondContact O-N 3.45Å; A550-K553 CarbonylContact O-C 3.5Å; A550-K553 WeakPolarHBondContact O-CA 3.24Å; A550-K553 PolarHBondContact O-N 2.62Å; A550-M554 PolarHBondContact O-N 3.3Å
551E35.1Very low34.2Very low109 Ų109140.1 Ų140.151%0.50968%0.677SS.*Hα-helixtrans-64.6-25.2179.1-68.3159.8175.800111.4K547K547-E551 VanDerWaalsContact CD-OE1 3.29Å; K547-E551 WeakPolarHBondContact CD-OE1 3.47Å; K547-E551 WeakPolarHBondContact CE-OE1 2.85Å; K547-E551 VanDerWaalsContact CG-OE1 3.32Å; K547-E551 WeakPolarHBondContact CG-OE1 3.44Å; K547-E551 IonicContact NZ-OE1 2.72Å; K547-E551 WeakPolarHBondContact O-CB 3.39Å; K547-E551 VanDerWaalsContact O-CD 3.22Å; K547-E551 WeakPolarHBondContact O-CG 3.44Å; K547-E551 PolarHBondContact O-N 2.71Å
552S36.1Very low33.8Very low82 Ų82140.4 Ų140.457%0.57369%0.69SS**THydrogen-bonded Turntrans-80.6-15170.386.70000114.9Q548 D549 A550Q548-S552 WeakPolarHBondContact O-CB 3.5Å; Q548-S552 PolarHBondContact O-N 2.87Å; D549-S552 PolarHBondContact O-OG 3.02Å; A550-S552 PolarHBondContact O-N 3.45Å
553K34.8Very low33.1Very low171 Ų171143.4 Ų143.474%0.74371%0.706SS**SBendtrans-99.60.1175.7-79.3177.4177.5169.40113.5D549 A550D549-K553 PolarHBondContact O-N 3.49Å; A550-K553 CarbonylContact O-C 3.5Å; A550-K553 WeakPolarHBondContact O-CA 3.24Å; A550-K553 PolarHBondContact O-N 2.62Å
554M29.8Very low32.6Very low165 Ų165144.4 Ų144.481%0.81372%0.715SS**SBendtrans-110.925.9-177.3-133.9-176.793.200113.7A550A550-M554 PolarHBondContact O-N 3.3Å
555Q26.2Very low31.8Very low167 Ų167143 Ų14378%0.7872%0.723SS**SBendtrans-128.490.1163.9-74.4-172-4.700108.2
556I32.1Very low31.4Very low156 Ų156141.5 Ų141.580%0.873%0.733SS**SBendtrans170.3125.2149.7-84.6149.8000106
557E30.5Very low31Very low190 Ų190143.7 Ų143.789%0.88874%0.741SS**  trans8983.7173.3-68.7173.7-176.100118.3
558E24.6Very low30.3Very low181 Ų181145.2 Ų145.285%0.84676%0.755SS**  trans-94.7159146.5-79.1-177152.500110.2
559T30.4Very low29.8Very low134 Ų134146.3 Ų146.382%0.82277%0.769SS**  trans91.8125.5170.270.80000115.2
560E30.5Very low29.4Very low189 Ų189147.9 Ų147.988%0.88378%0.782SS**  cis-149.4162.622.8-70.3-175.8139.400113.2
561D24.2Very low29.1Very low156 Ų156148 Ų14883%0.83478%0.779SS**  trans-65.1142.7178.5-62.1-61.4000116.2
562V28.9Very low28.8Very low149 Ų149148.7 Ų148.790%0.90379%0.787SS**  trans-151.7132.8135.3-179.40000110.8
563V24.6Very low28.6Very low118 Ų118150.6 Ų150.672%0.71579%0.787SS**  trans-61.7134177.1173.80000113.6
564D28Very low28.9Very low155 Ų155147.6 Ų147.683%0.82977%0.774SS**  trans-166.4125.7137.4-102.5-25.4000113.8
565T24.4Very low29.2Very low126 Ų126146.1 Ų146.177%0.77376%0.76SS**  trans-75.5137.5177.8410000113.5
566P28.6Very low29.5Very low128 Ų128146.6 Ų146.683%0.83175%0.754SS**  trans-104129.9160.633-23.1000112.2
567R27.7Very low29.6Very low242 Ų242145.1 Ų145.191%0.91374%0.744SS**  trans-64.7135.6-179.3-73.8171.8167.6169.8-4.4113.5V569R567-V569 PolarHBondContact O-N 3.46Å
568D24.6Very low29.6Very low163 Ų163142.8 Ų142.887%0.87274%0.737SS**  trans-57.4117.6154.8-75.6-51.4000112
569V28Very low29.8Very low131 Ų131138.5 Ų138.579%0.79473%0.727SS**  trans-153.9103.2145.2-1740000108.7R567R567-V569 PolarHBondContact O-N 3.46Å
570V30.6Very low29.6Very low134 Ų134136.5 Ų136.581%0.81272%0.715SS**  trans-101111.6159.3176.20000106.4
571S30.6Very low29.3Very low61 Ų61132.6 Ų132.643%0.42771%0.707SS.*  trans-67.1146.1-176.663.60000112.5E573S571-E573 PolarHBondContact O-N 3.38Å; S571-E573 WeakPolarHBondContact OG-CB 3.4Å
572D30.6Very low29.5Very low125 Ų125133.8 Ų133.867%0.66871%0.707SS**THydrogen-bonded Turntrans-58.62.5170.2-86.4-31.4000114.6R576D572-R576 PolarHBondContact O-N 2.99Å
573E31.8Very low29.6Very low122 Ų122137.6 Ų137.657%0.5771%0.705SS**Hα-helixtrans-76.4-25.4-172.7-159.2163.2-166.300113.1S571 H577S571-E573 PolarHBondContact O-N 3.38Å; S571-E573 WeakPolarHBondContact OG-CB 3.4Å; E573-H577 PolarHBondContact O-N 3.02Å; E573-H577 PolarHBondContact O-ND1 3.14Å
574F40.2Very low29.7Very low108 Ų108141 Ų14147%0.47471%0.707SS.*Hα-helixtrans-74.4-32.4176.8-178.7-102.4000113.1
575Y36.6Very low29.6Very low134 Ų134140.8 Ų140.853%0.52570%0.701SS.*Hα-helixtrans-83-22.3175.1-77.1-80.8000112.7K1387Y575-K1387 VanDerWaalsContact OH-CE 3.22Å; Y575-K1387 WeakPolarHBondContact OH-CE 3.44Å
576R32Very low29.8Very low176 Ų176139.5 Ų139.566%0.66470%0.697SS**Hα-helixtrans-71.1-35169.2-80.6-167.3-176.2140.62113.1D572 L578 S579 T580D572-R576 PolarHBondContact O-N 2.99Å; R576-L578 VanDerWaalsContact C-N 3.26Å; R576-L578 PolarHBondContact O-N 3.16Å; R576-S579 WeakPolarHBondContact CA-OG 3.45Å; R576-S579 PolarHBondContact O-N 3.41Å; R576-S579 PolarHBondContact O-OG 3.12Å; R576-T580 WeakPolarHBondContact O-CG2 3.33Å; R576-T580 PolarHBondContact O-N 3.48Å; R576-T580 PolarHBondContact O-OG1 3.38Å
577H33.8Very low29.7Very low125 Ų125139.8 Ų139.858%0.57969%0.692SS**THydrogen-bonded Turntrans-66.6-21.2-178.5-89.877.3000114.9E573 S579E573-H577 PolarHBondContact O-N 3.02Å; E573-H577 PolarHBondContact O-ND1 3.14Å; H577-S579 VanDerWaalsContact C-N 3.34Å
578L30.2Very low29.8Very low142 Ų142135.9 Ų135.974%0.74369%0.689SS**THydrogen-bonded Turntrans-85.6-5.6171.6-86.9155.4000113.4R576R576-L578 VanDerWaalsContact C-N 3.26Å; R576-L578 PolarHBondContact O-N 3.16Å
579S29.2Very low29.9Very low90 Ų90132.1 Ų132.163%0.62968%0.68SS**SBendtrans-108.2-1.3178.565.40000114.3R576 H577R576-S579 WeakPolarHBondContact CA-OG 3.45Å; R576-S579 PolarHBondContact O-N 3.41Å; R576-S579 PolarHBondContact O-OG 3.12Å; H577-S579 VanDerWaalsContact C-N 3.34Å
580T25.7Very low30Very low93 Ų93132.2 Ų132.257%0.57168%0.681SS**  trans-112.820.7-169.346.10000115.2R576R576-T580 WeakPolarHBondContact O-CG2 3.33Å; R576-T580 PolarHBondContact O-N 3.48Å; R576-T580 PolarHBondContact O-OG1 3.38Å
581C24.6Very low29.9Very low106 Ų106131.6 Ų131.672%0.71668%0.678SS**  trans-114.972.5174.9-68.30000111.6
582H29Very low29.7Very low181 Ų181136.2 Ų136.284%0.83870%0.696SS**SBendtrans-152.8138.5147.4-99.6-75000109.7
583W30.1Very low29.7Very low230 Ų230135.3 Ų135.387%0.87170%0.697SS**  trans-74.5139-165.6-70.874.2000114.2
584Y27.4Very low29.4Very low189 Ų189136.6 Ų136.674%0.74171%0.707SS**  trans35138142.5-85.6-92.1000119.6
585E26.3Very low28.8Very low150 Ų150136.2 Ų136.270%0.70172%0.724SS**  cis-173.9145.618.4-152.6163.5-145.300105.9
586S27.4Very low28.3Very low100 Ų100138.5 Ų138.570%0.69974%0.737SS**  150163.386.781.50000106.6
587D26.7Very low28Very low134 Ų134140.6 Ų140.672%0.71775%0.751SS**  cis-173.2147.2-7.2-114.1-21000107.4
588N29.9Very low27.5Very low160 Ų160145.2 Ų145.286%0.85676%0.763SS**  trans159.1136.5139.4-88-20.1000110.5
589A26.9Very low27.2Very low83 Ų83148.2 Ų148.269%0.68677%0.77SS**  cis-179.6125.6-24.400000105.4
590T29.5Very low26.8Very low134 Ų134152.5 Ų152.582%0.82278%0.777SS**  trans-15698.4145.337.70000110.6
591T28.7Very low26.6Very low120 Ų120155.3 Ų155.374%0.73679%0.787SS**  trans65.596.9137510000122.3
592I26.9Very low26.4Very low158 Ų158159.6 Ų159.681%0.8179%0.794SS**  77.7147.7125.2-94.4163.7000120.3
593P30.9Very low26Very low106 Ų106157.1 Ų157.169%0.68879%0.786SS**  cis-137.1176.7-13.637.2-17.1000119.1
594L24.5Very low25.7Very low149 Ų149150.2 Ų150.278%0.7878%0.778SS**  trans-17.2148.9159-65.9117.6000121.2
595A29.1Very low25.4Very low101 Ų101145.8 Ų145.884%0.83577%0.771SS**  cis-158.4158.144.500000116.4
596K25.1Very low25.3Very low182 Ų182147 Ų14779%0.79178%0.776SS**  trans-80.6155.6-166.1-60.3162.7178.1172.20115.5
597K27Very low25Very low219 Ų219148.3 Ų148.395%0.95277%0.774SS**  -151.4111.4126.6-110.9173.9-173.7176.70112.8
598R22Very low24.9Very low222 Ų222146 Ų14684%0.83877%0.769SS**  trans-85.8152.4164.8-81.2176.6165.9174.9-4.9110.1
599K24.5Very low24.6Very low205 Ų205144.7 Ų144.789%0.89176%0.761SS**  trans-168.9109.1132.1-98.3172.2-173.2-171.60107
600K21.7Very low24.6Very low181 Ų181146.6 Ų146.679%0.78777%0.765SS**  57.3116.278.5-83.9-167.9175-176.90113.7
601I20.7Very low24.4Very low151 Ų151143.6 Ų143.677%0.77475%0.753SS**  165109.7117.9-80.9161.7000108.1
602K20.8Very low24.1Very low196 Ų196144.3 Ų144.385%0.85276%0.763SS**  59.8125.2109.1-58.6-179.1170.6-175.90115.6
603L21Very low24Very low130 Ų130140.7 Ų140.768%0.68175%0.752SS**  trans-129.4106.7153.6-116161.2000110.1K1589L603-K1589 PolarHBondContact O-NZ 2.93Å
604A22.5Very low23.8Very low85 Ų85141 Ų14170%0.70276%0.756SS**  trans-58.8167.416800000112.2K1589A604-K1589 PolarHBondContact O-NZ 2.92Å
605V22Very low23.9Very low96 Ų96139.3 Ų139.358%0.58275%0.751SS**  trans-107.7140.3174.7168.20000107.6L607V605-L607 HydrophobicContact CG1-CG 4.28Å
606H23.1Very low23.7Very low175 Ų175140.9 Ų140.981%0.8175%0.745SS**  trans-155.5114.5142-119.3-85.9000104
607L22.3Very low23.8Very low128 Ų128135 Ų13567%0.6773%0.726SS**  48.7119.975.1-69.2165.3000109.6V605V605-L607 HydrophobicContact CG1-CG 4.28Å
608S23.3Very low23.7Very low86 Ų86127.4 Ų127.460%0.60170%0.7SS**  cis179.1-175.216.7510000104
609D25Very low24.6Very low131 Ų131120.1 Ų120.170%0.70168%0.681SS**  cis173.2165.433-127.5-21.5000110.2
610V26.4Very low24.9Very low124 Ų124119 Ų11975%0.75268%0.676SS**  trans78.9127.7140.3172.40000117.8
611A25.9Very low25.2Very low71 Ų71114.8 Ų114.859%0.58767%0.67SS**  cis-158.3138.47.600000109.3
612S21.7Very low25.6Very low135 Ų135111.5 Ų111.594%0.94467%0.666SS**SBend-109.989.9100.441.60000112.1
613S25.4Very low26Very low82 Ų82105.5 Ų105.557%0.57366%0.659SS**  trans-82.4138.3154.553.80000107.2
614C26.4Very low26.5Very low113 Ų113107.2 Ų107.276%0.76466%0.656SS**  -169.116658.4-64.50000109.2
615V27.2Very low26.8Very low112 Ų112107.3 Ų107.368%0.67965%0.652SS**  cis179.8127.5-12.9147.90000101.6P617V615-P617 HydrophobicContact CG1-CB 4.18Å
616D23.7Very low27.1Very low134 Ų134109.8 Ų109.872%0.71766%0.662SS**  trans-94.2133.5144.8-95.6-34.2000105.7
617P28.3Very low27.2Very low60 Ų60105.6 Ų105.639%0.3965%0.651SS.*  trans-98126.6177.932.7-25.4000111S371 Q372 V615S371-P617 CarbonylContact C-O 3.14Å; S371-P617 WeakPolarHBondContact CA-O 3.16Å; Q372-P617 PolarHBondContact N-O 2.88Å; V615-P617 HydrophobicContact CG1-CB 4.18Å
618C25.1Very low27.5Very low59 Ų59109.6 Ų109.640%0.39966%0.659SS.*  trans-98.5-155.1172.5-36.90000109.8I370 S371I370-C618 WeakPolarHBondContact O-CA 3.46Å; I370-C618 WeakPolarHBondContact O-CB 3.15Å; S371-C618 PolarHBondContact N-SG 3.43Å
619P40.2Very low27.6Very low69 Ų69111 Ų11145%0.44866%0.664SS.*  cis-138.6-160.6-31.235.7-15.4000111.6D369D369-P619 WeakPolarHBondContact O-CA 3.31Å; D369-P619 WeakPolarHBondContact O-CB 3.42Å
620F29.5Very low27.7Very low180 Ų180112.1 Ų112.179%0.78967%0.669SS**  trans145.7137.7138.2-89-82.9000110.7
621S28.6Very low27.7Very low93 Ų93110.8 Ų110.865%0.6567%0.665SS**  cis175149.5-12.450.40000110.3
622A30Very low27.7Very low83 Ų83115.2 Ų115.269%0.68667%0.673SS**  trans44.1147.9142.200000121.4
623G29.7Very low28Very low69 Ų69115.9 Ų115.971%0.71166%0.662SS**  cis174.8173.811.500000105.4
624R30.6Very low28Very low167 Ų167118 Ų11863%0.6367%0.667SS**  cis177.8154.529.2-154.7-175.7-146.6-165.50.9110.4E366E366-R624 IonicContact OE1-CZ 3.48Å; E366-R624 IonicContact OE1-NE 3.33Å; E366-R624 PolarHBondContact OE1-NE 3.36Å; E366-R624 IonicContact OE1-NH2 2.77Å; E366-R624 PolarHBondContact OE1-NH2 2.91Å; E366-R624 WeakPolarHBondContact OE2-CG 3.47Å; E366-R624 IonicContact OE2-CZ 3.65Å; E366-R624 IonicContact OE2-NE 2.83Å; E366-R624 PolarHBondContact OE2-NE 3.41Å; E366-R624 IonicContact OE2-NH2 3.7Å
625S28.4Very low28Very low86 Ų86120.8 Ų120.860%0.60167%0.666SS**  trans61.9146.5142.845.50000121.3
626D27.9Very low27.9Very low149 Ų149123.7 Ų123.780%0.79767%0.672SS**  cis179.7168.25.4-93.3-24.4000105.4
627C26.3Very low28Very low87 Ų87125 Ų12559%0.58868%0.675SS**  cis-176174.1-0.6-105.40000108.7
628Y29Very low27.9Very low211 Ų211127.8 Ų127.883%0.82769%0.691SS**  trans87.4105161.2-61.9-73000118.7
629V24.6Very low27.9Very low117 Ų117128.7 Ų128.771%0.70970%0.703SS**  83.2109.759.5-176.90000114.1
630L27.7Very low27.4Very low154 Ų154131.3 Ų131.381%0.80672%0.718SS**  158.5128.7119.9-86177.2000115.6
631S26.7Very low27.3Very low95 Ų95129.7 Ų129.766%0.66472%0.718SS**  trans51.1124.213871.10000125.2
632E25.9Very low27.1Very low164 Ų164133.7 Ų133.777%0.76673%0.726SS**  73125.5126-71.4-166.214400124.4
633Q27.1Very low27Very low150 Ų150138.9 Ų138.970%0.70173%0.734SS**  trans77.2124.2135.6-73.3-17813.400122.5
634D26.1Very low26.9Very low127 Ų127141.8 Ų141.868%0.67973%0.732SS**  trans68.6115.6139.2-76.3-10000122.4
635K26.3Very low26.7Very low171 Ų171140.8 Ų140.874%0.74374%0.739SS**  trans71.8121130.7-71.4-177.7179.8174.50120.3
636E24.8Very low26.4Very low172 Ų172142.9 Ų142.980%0.80475%0.751SS**  trans73.1126.9132.4-82.7-175.515700120.2
637M25.5Very low26.4Very low161 Ų161139.3 Ų139.379%0.79375%0.75SS**  trans94.5103.6144.7-72.8-174.18600119.8
638V26Very low26.3Very low119 Ų119144 Ų14472%0.72176%0.763SS**  71.3106.2117.5-179.90000117.7
639A25.5Very low26.8Very low79 Ų79138.8 Ų138.865%0.65376%0.755SS**  trans54.8126.8131.500000119.7
640T29.3Very low26.8Very low124 Ų124138.4 Ų138.476%0.76176%0.758SS**  -177.3134.998.1240000112.5
641D27.6Very low26.8Very low145 Ų145135.9 Ų135.978%0.77575%0.753SS**  trans72.895.4140.8-59.5-6.6000122.5
642E23.6Very low26.9Very low177 Ų177139.6 Ų139.683%0.82776%0.759SS**  16.9131.9121-65.1-168.8141.900120
643F28.6Very low27Very low193 Ų193138.4 Ų138.485%0.84676%0.758SS**  -160.2110.6128.1-105.8-74.5000112.4
644L28.3Very low27.1Very low130 Ų130137.1 Ų137.168%0.68176%0.76SS**  trans43125.5134.8-61.4174.7000124
645L25.5Very low27Very low146 Ų146137.6 Ų137.676%0.76476%0.762SS**  67.7118.8121.2-71.8166.8000122.7
646C22.6Very low27.4Very low129 Ų129135 Ų13587%0.87276%0.763SS**  71.9129.1113.6-143.40000120.8
647G28.5Very low27.5Very low74 Ų74131.6 Ų131.676%0.76375%0.754SS**  trans16398.1158.500000114.9
648Q23.9Very low27.6Very low185 Ų185132.4 Ų132.486%0.86475%0.753SS**  trans-91.9-172.5148.9-69.8-155.2-41.600109.2
649P38.4Very low27.7Very low102 Ų102133.9 Ų133.966%0.66275%0.753SS**  -126.9-178.2-7538.1-21.2000113.1
650S24.3Very low27.7Very low110 Ų110137.5 Ų137.577%0.76976%0.756SS**  trans78.2127.1156.474.80000120.8
651S27.9Very low27.6Very low100 Ų100137.9 Ų137.970%0.69975%0.753SS**  169.6136129.944.20000114.5
652H28.9Very low27.4Very low173 Ų173134.6 Ų134.680%0.80175%0.746SS**  trans68.1137.8139.7-66.5-42.3000119.2
653L28Very low27.5Very low139 Ų139135.3 Ų135.373%0.72875%0.749SS**  cis-173155.611.3-153.482.2000109.7
654V29.9Very low27.5Very low124 Ų124130.3 Ų130.375%0.75274%0.744SS**  trans102.7109149.2-166.20000120.2
655N23.9Very low27.4Very low136 Ų136128.9 Ų128.973%0.72774%0.744SS**  trans-59.9165.1163.7-65.5-25.3000113.9
656P34Very low27.3Very low117 Ų117130.4 Ų130.476%0.7675%0.748SS**  -128.7128.380.4518.6000112.2
657T27.8Very low27.5Very low100 Ų100128.4 Ų128.461%0.61375%0.749SS**  65.9109.392.363.40000115.9
658F27.9Very low27.5Very low178 Ų178127.9 Ų127.978%0.78174%0.743SS**  165.1106.8114-98-81000106.8
659E27.4Very low27.8Very low151 Ų151126.4 Ų126.471%0.70674%0.74SS**  56.3109.584.1-85.8-179.5-174.400112
660E26.2Very low27.2Very low155 Ų155128.1 Ų128.172%0.72474%0.743SS**  87.4137.283.3-98.4-176.1168.600113
661D26Very low27.6Very low132 Ų132130.5 Ų130.571%0.70675%0.747SS**  trans70.8102.3149-61.7-16.9000121.6
662A24.3Very low27.7Very low76 Ų76128.7 Ų128.763%0.62874%0.744SS**  50.9138.6100.500000120.6
663H24.9Very low27.8Very low191 Ų191125 Ų12588%0.88474%0.743SS**  trans81.7109.4155.9-62.4-70.3000119.7
664A29.8Very low27.7Very low89 Ų89126.9 Ų126.974%0.73675%0.745SS**  165.9105.2125.700000107.8
665S24.6Very low27.6Very low99 Ų99128.4 Ų128.469%0.69274%0.742SS**  67.6126.578.280.40000115.4
666E24.8Very low27.9Very low179 Ų179128.7 Ų128.784%0.83674%0.739SS**  trans7229.3156.2-45.6-3894.600120.8
667G25.6Very low27.5Very low87 Ų87127.9 Ų127.990%0.89774%0.736SS**  trans-93.7118.4157.600000111.6
668G29.6Very low27.6Very low62 Ų62129.2 Ų129.264%0.63974%0.744SS**  cis-176.8-155.4-2.300000112.4
669I30.2Very low27.6Very low154 Ų154125.4 Ų125.479%0.7974%0.739SS**  trans-89.4118.2-176.3-80170.5000109.9
670L25.8Very low27.8Very low139 Ų139123.9 Ų123.973%0.72875%0.745SS**  64.2120.570.2-83.5152.1000113.8
671N32.3Very low27.9Very low159 Ų159120 Ų12085%0.8575%0.747SS**  166.9118.4125.7-82.2-25.3000107.4
672G29Very low28.2Very low63 Ų63121.9 Ų121.965%0.64975%0.752SS**  cis134.4150.815.800000108.6
673A31.2Very low28.3Very low94 Ų94125.6 Ų125.678%0.77776%0.76SS**  trans73.8140157.600000116.4
674K26.9Very low28.6Very low179 Ų179119.5 Ų119.578%0.77875%0.748SS**  cis175.6151.6-14.6-117.8167.5-179.7175.10102.7
675K28.1Very low28.7Very low156 Ų156121 Ų12168%0.67875%0.748SS**  trans78.7136.7140-81.4167154.1-112.90120.8
676E28.4Very low28.9Very low143 Ų143122.2 Ų122.267%0.66875%0.747SS**  trans7997.1141.6-69.4160.2-151.700115.4
677S26.6Very low29.3Very low100 Ų100118.7 Ų118.770%0.69973%0.734SS**  76.7130.375.1750000115
678V29.1Very low29.6Very low128 Ų128123 Ų12378%0.77673%0.728SS**  trans97.3103.9152.7-170.90000119.2
679S28.9Very low29.4Very low97 Ų97126.8 Ų126.868%0.67873%0.734SS**  trans42.9136.2135.680.10000125.2
680S30.9Very low29.4Very low119 Ų119123.4 Ų123.483%0.83272%0.724SS**  117.5135.311970.40000120
681G29.7Very low29.5Very low74 Ų74121.5 Ų121.576%0.76372%0.721SS**  trans87.2150.3157.700000117
682Q30.5Very low29.4Very low172 Ų172118 Ų11880%0.80471%0.714SS**  cis-179.6150.1-10-138.9-179.8-33.600107.2
683L27.4Very low29.5Very low154 Ų154121.7 Ų121.781%0.80672%0.718SS**  trans69.3136.2147.7-73.8154.5000122
684G31Very low29.5Very low62 Ų62124.3 Ų124.364%0.63972%0.718SS**  trans15975.3141.700000120.7
685V31.9Very low29.6Very low121 Ų121119.1 Ų119.173%0.73370%0.704SS**  43.6118.1127.8-105.70000119.5
686N29.3Very low29.8Very low124 Ų124121.6 Ų121.666%0.66371%0.711SS**  103149.691.1-88.325.7000111.4
687D33.9Very low29.9Very low106 Ų106117.9 Ų117.957%0.56771%0.711SS**  cis-177.515822.5-115.8-15.3000112.3
688F30.8Very low29.7Very low176 Ų176119.6 Ų119.677%0.77271%0.712SS**  trans60.5117.1149.5-68.5-65.5000120.8
689D26.4Very low30.1Very low142 Ų142119.1 Ų119.176%0.75971%0.712SS**  cis63.1137.635-122.141.4000112.1
690S29Very low30Very low84 Ų84121.9 Ų121.959%0.58772%0.717SS**  cis174.5164.832.8-1430000105.3
691C28.1Very low30.2Very low98 Ų98122.1 Ų122.166%0.66272%0.716SS**  142.4160.489.3-113.70000107.7
692A30.2Very low30.1Very low86 Ų86121.5 Ų121.571%0.71171%0.71SS**  cis-171.8159.516.900000110.6
693L31.2Very low30Very low140 Ų140119.4 Ų119.473%0.73371%0.709SS**  cis-143.3-67-16.8-135.2173.1000110.4
694I31.5Very low30Very low149 Ų149119 Ų11976%0.76471%0.708SS**  cis-164.8133.4-34.2-173.6174.6000106.4
695S28.7Very low30Very low70 Ų70121.8 Ų121.849%0.4972%0.716SS.*  cis-161.9153.5-25.5-94.10000104.5
696Y32.2Very low30.1Very low208 Ų208120.6 Ų120.682%0.81671%0.713SS**  cis-155.3146.240.9-86.9-88.6000106.6
697G29.9Very low30.3Very low65 Ų65121 Ų12167%0.6772%0.715SS**  cis106.417242.800000109.1
698D23.4Very low30.2Very low136 Ų136122.4 Ų122.473%0.72772%0.723SS**  cis-153.1139.5-23.5-75.7-48000106.9
699P37.3Very low30.3Very low119 Ų119121.4 Ų121.477%0.77372%0.72SS**  trans-127.3-163.9-154.936.9-17.6000117
700I26.1Very low30.6Very low155 Ų155121.3 Ų121.380%0.79572%0.72SS**  trans79.2-174.7171-11-177.6000114.7
701P35Very low30.6Very low124 Ų124124.7 Ų124.781%0.80573%0.731SS**  -129166.9-122.643.5-26.4000118.6
702G28.1Very low31.4Very low61 Ų61124.1 Ų124.163%0.62973%0.726SS**  trans138.7105.6160.100000113.7
703T28Very low31.3Very low128 Ų128127 Ų12779%0.78573%0.729SS**  83.2117.588.653.10000116.9
704N27.4Very low31.2Very low146 Ų146127.2 Ų127.278%0.78173%0.731SS**  trans87.1110.2139.4-60.3-7000121.1
705C32.2Very low30.9Very low119 Ų119125 Ų12580%0.80474%0.735SS**  171.9111.8106.2-870000108.3
706S33.7Very low30.7Very low96 Ų96130.7 Ų130.767%0.67175%0.751SS**  75.3130.5102.3105.40000112
707D33.1Very low30.3Very low132 Ų132127.6 Ų127.671%0.70675%0.748SS**  cis-161.8147.423.8-77-47.9000106
708N32.5Very low30Very low137 Ų137129.8 Ų129.873%0.73375%0.753SS**  168.6149.454.4-103.7-10.5000106.1
709E33.2Very low30.6Very low154 Ų154128.8 Ų128.872%0.7275%0.754SS**  cis-158.2144.3-4.7-76.9-158.9141.700109.4
710D31.1Very low30.2Very low141 Ų141129 Ų12975%0.75476%0.756SS**  trans65.386.3137.9-55.7-15.8000126.1
711D29.6Very low30.5Very low155 Ų155127.1 Ų127.183%0.82975%0.754SS**  13.1169.9106.4-120.120000123.3
712P44.5Very low30.1Very low86 Ų86126 Ų12656%0.55875%0.748SS**  -148.2-175-72.545.6-25.9000117.9
713L28.8Very low30.2Very low147 Ų147131.4 Ų131.477%0.7776%0.757SS**  trans40.9148.7141.2-65.9162.2000121.8
714N28.4Very low30.3Very low143 Ų143129.4 Ų129.477%0.76575%0.748SS**  cis179.8157.728.2-119.4-22.5000109.6
715A26Very low30.4Very low104 Ų104130.1 Ų130.186%0.8675%0.747SS**  trans155.7167.913900000116
716F24.3Very low30.2Very low188 Ų188131 Ų13183%0.82574%0.739SS**  trans-125.3160.3-149.3-118.5-72.8000112.4
717L23.3Very low30Very low143 Ų143134.1 Ų134.175%0.74974%0.743SS**  trans77127.8146.9-61.4168.8000123.5
718S23.4Very low30Very low112 Ų112134.3 Ų134.378%0.78374%0.744SS**  trans63.9155.6134.2-69.80000121.6
719P36.9Very low29.9Very low115 Ų115132.3 Ų132.375%0.74774%0.741SS**  trans-106173.8-139.341.4-35.2000114.3
720P28.8Very low29.9Very low124 Ų124130.2 Ų130.281%0.80574%0.738SS**  trans-112.5153.4178.438.1-26.9000114.2
721P31.4Very low30Very low115 Ų115131.1 Ų131.175%0.74774%0.738SS**  trans-108.8131.6146.332.6-21.4000111.4
722S26.7Very low30Very low99 Ų99132.2 Ų132.269%0.69274%0.735SS**  trans25.6117.9145.252.90000120.9
723H31.2Very low29.7Very low176 Ų176133.4 Ų133.482%0.81574%0.743SS**  176.4135.597.3-112-82.1000113.8
724S28.9Very low29.9Very low86 Ų86132.6 Ų132.660%0.60175%0.745SS**  trans63.8122.5142.757.80000123.9
725Q29.5Very low30.6Very low161 Ų161132.2 Ų132.275%0.75275%0.75SS**  trans67.5140.2134.8-67.3-179.6-57.800118
726E28.9Very low30.8Very low137 Ų137137 Ų13764%0.6475%0.751SS**  cis-166.4141.24.4-121162.6-162.200107.3
727E30.1Very low31.3Very low162 Ų162132.7 Ų132.776%0.75775%0.751SS**  trans69.1142.1137.1-72.6-176.815900126.2
728D32.2Very low31.7Very low135 Ų135134.6 Ų134.672%0.72275%0.753SS**  trans91.293.8156.7-73.4-31.9000120
729S30.7Very low32.1Very low95 Ų95136.5 Ų136.566%0.66475%0.749SS**  97125.869.864.40000110.6
730V32.8Very low31.7Very low111 Ų111139 Ų13967%0.67375%0.751SS**  -178.9122.178.3154.70000111.2
731Q33Very low32.3Very low159 Ų159138.8 Ų138.874%0.74375%0.75SS**  trans64.5144.2130.1-64.5-179.42.800122.5
732K30.6Very low32.2Very low178 Ų178142.2 Ų142.277%0.77476%0.756SS**  cis170.8-173.8-7.5-118.6-179.6-177.71740105.8
733P37.1Very low32.2Very low112 Ų112143 Ų14373%0.72776%0.76SS**  cis-140.3164.3-424.50.8000117.1
734T34.4Very low32.2Very low130 Ų130141.1 Ų141.180%0.79876%0.756SS**  trans-107.7172.8150.844.40000110.1
735P43.5Very low32.2Very low134 Ų134144.1 Ų144.187%0.8777%0.765SS**  trans-122.6146.1155.433.5-19.4000115.1
736K29.2Very low32.2Very low205 Ų205139.5 Ų139.589%0.89176%0.76SS**  trans-102.4167.2179.9-70.5179.2171-178.90112.7
737A34.7Very low32.1Very low98 Ų98139.1 Ų139.181%0.8177%0.768SS**  165.7137.7120.500000111.3
738K31.4Very low31.9Very low182 Ų182138 Ų13879%0.79177%0.767SS**  -158.6132.561.2-91.3180170.3178.70111.9
739Q31.2Very low31.6Very low152 Ų152138.8 Ų138.871%0.7177%0.768SS**  74138.6100.2-65.7-176.5-39.100116.8
740Q30.5Very low31.4Very low167 Ų167141.7 Ų141.778%0.7877%0.771SS**  cis-171.1146.9-13.5-116.9169.7-104.400111
741P40Very low31.1Very low121 Ų121145.3 Ų145.379%0.78678%0.783SS**  trans-135.4166.5-176.543.4-29.5000119.3
742E30.1Very low30.7Very low186 Ų186143.2 Ų143.287%0.86979%0.785SS**  trans-147.2131.6172.8-65.9-173.1161.300111.4
743C26.8Very low30.6Very low117 Ų117139.8 Ų139.879%0.79178%0.784SS**  61.3133.775.1-52.90000113.7
744N30.3Very low30Very low136 Ų136145.6 Ų145.673%0.72779%0.792SS**  cis-173.7150.834.2-115.8-12.1000112.6
745N28.9Very low29.8Very low149 Ų149145.1 Ų145.180%0.79779%0.792SS**  trans36.7150.1136.3-54.8-19.1000123.3
746G29.2Very low28.9Very low63 Ų63145.3 Ų145.365%0.64979%0.791SS**  cis169164.34.700000113.2
747V27Very low29.4Very low130 Ų130141.5 Ų141.579%0.78879%0.787SS**  trans42.1143139.6-110.20000120.9
748D26.9Very low29.2Very low139 Ų139142 Ų14274%0.74379%0.785SS**  cis-174.4169.644.5-122.6-35.4000115.8
749M26.2Very low29.1Very low151 Ų151137.5 Ų137.574%0.74479%0.79SS**  trans-38.3171171.5-77-170.1143.700119.7
750Q24.9Very low28.9Very low156 Ų156134 Ų13473%0.72980%0.795SS**  cis-175.5153.911.4-122.2176-6.800108.9
751M27.8Very low28.8Very low186 Ų186135.2 Ų135.292%0.91680%0.797SS**  162.1142.9129.1-92.6-162.9160.700116.4
752S25.2Very low28.3Very low115 Ų115137.9 Ų137.980%0.80480%0.799SS**  trans-69171.8177.5-190000114
753S27.6Very low28Very low106 Ų106135.1 Ų135.174%0.74180%0.795SS**  cis-177.7154.96.1510000111.5
754R24.6Very low27.9Very low235 Ų235136.5 Ų136.589%0.88780%0.8SS**  trans99.9134.5137.1-137-177.5-98.1-151.8-5.8123
755C29.4Very low27.6Very low119 Ų119134.3 Ų134.380%0.80480%0.801SS**  trans105.2101.7154.1-67.20000119.9
756T25.4Very low27.4Very low139 Ų139131.3 Ų131.385%0.85381%0.805SS**  trans-78.8165.5169.645.40000112.8
757P38.7Very low27.1Very low125 Ų125132.4 Ų132.481%0.81282%0.816SS**  cis-129.8-156.240.345.2-27.8000113.1
758S31.1Very low26.8Very low108 Ų108129.9 Ų129.976%0.75582%0.817SS**  cis-154.7139.1849.10000112.1
759G28.6Very low26.6Very low88 Ų88129.2 Ų129.291%0.90782%0.823SS**  trans82.7112.7162.400000114.6
760G27.6Very low26.4Very low78 Ų78126.1 Ų126.180%0.80482%0.821SS**  cis141.9132.517.300000104.4
761K29.6Very low26.2Very low193 Ų193125 Ų12584%0.83983%0.825SS**  cis-144.5125.56.4-80.4173.7171.6178.10105.5
762Q28Very low25.9Very low177 Ų177122.1 Ų122.183%0.82782%0.818SS**  58.2106.2102.4-78.6-178.8-24.500113.5
763V24.7Very low25.8Very low127 Ų127122 Ų12277%0.7781%0.808SS**  cis67.3112.548-171.60000113.6A765V763-A765 HydrophobicContact CG1-CB 4.42Å
764T24.4Very low25.6Very low147 Ų147120.5 Ų120.590%0.90279%0.791SS**  trans-116.1125140.938.30000108.2
765A24.9Very low25.5Very low90 Ų90117.5 Ų117.574%0.74479%0.787SS**  trans-103143.9168.300000108V763V763-A765 HydrophobicContact CG1-CB 4.42Å
766G23.3Very low25.2Very low85 Ų85117.3 Ų117.388%0.87678%0.778SS**  trans-76.1170.5177.400000114.5
767G22.7Very low25.1Very low86 Ų86114 Ų11489%0.88777%0.771SS**  trans158.897.4162.700000113.3
768G21.7Very low24.4Very low78 Ų78113.2 Ų113.280%0.80476%0.764SS**  trans122.7111.8143.100000117.7
769S22.1Very low24.1Very low125 Ų125113.3 Ų113.387%0.87476%0.755SS**  trans63.495.7140.51790000118.2
770A22Very low24Very low86 Ų86111.7 Ų111.771%0.71172%0.722SS**  trans-161.8115.7149.400000112.4
771T21.7Very low23.8Very low132 Ų132110.3 Ų110.381%0.8170%0.699SS**  trans12.1112.3138.151.50000117.9L773T771-L773 PolarHBondContact O-N 3.31Å
772T21.5Very low23.6Very low126 Ų126105.5 Ų105.577%0.77369%0.686SS**  trans-67.7115.3161.749.60000109.9
773L22Very low23.4Very low112 Ų11299.8 Ų99.859%0.58666%0.664SS**  trans-137.3104.4168.4-152.483.2000110.8T771 N1289T771-L773 PolarHBondContact O-N 3.31Å; L773-N1289 HydrophobicContact CD1-CB 4.25Å
774D23.1Very low23.4Very low74 Ų7499.6 Ų99.640%0.39667%0.665SS.*  trans46.9108.7140.3-57.9-26.2000121.3S1288D774-S1288 VanDerWaalsContact OD1-CB 3.22Å; D774-S1288 WeakPolarHBondContact OD1-CB 3.42Å; D774-S1288 PolarHBondContact OD1-OG 3.33Å; D774-S1288 WeakPolarHBondContact OD2-CB 3.41Å; D774-S1288 PolarHBondContact OD2-OG 3.07Å
775H23.9Very low23.5Very low173 Ų17397 Ų9780%0.80165%0.653SS**  trans-97.9119.8160.9-65.2-68.5000110.8
776L23.2Very low23.6Very low115 Ų115100.5 Ų100.560%0.60265%0.654SS**  trans-116.488.5166.9-90.4161.6000110.1L1294L776-L1294 HydrophobicContact CD1-CD1 3.91Å
777G22.3Very low23.5Very low70 Ų70105.3 Ų105.372%0.72265%0.654SS**  trans-147.337.2171.300000111.3
778V24.3Very low23.6Very low107 Ų107105 Ų10565%0.64864%0.643SS**  trans-128.578.9-179.7-170.70000109Y780V778-Y780 VanDerWaalsContact CG1-O 3.29Å; V778-Y780 WeakPolarHBondContact CG1-O 3.37Å
779I25Very low23.8Very low111 Ų111107 Ų10757%0.56964%0.639SS**SBendtrans-94.8112.2147.3-59.6170.9000102.3P1858I779-P1858 HydrophobicContact CB-CG 4.06Å; I779-P1858 HydrophobicContact CD1-CG 3.67Å; I779-P1858 HydrophobicContact CG1-CG 4.43Å; I779-P1858 HydrophobicContact CG2-CG 4.13Å
780Y25.4Very low23.9Very low54 Ų54109.7 Ų109.721%0.21264%0.637CS.*SBendtrans87.5124.2-170.5-58.8-82.7000117.3V778 I1050 F1857V778-Y780 VanDerWaalsContact CG1-O 3.29Å; V778-Y780 WeakPolarHBondContact CG1-O 3.37Å; Y780-I1050 HydrophobicContact CD1-CD1 4.29Å; Y780-I1050 HydrophobicContact CD1-CG1 3.52Å; Y780-I1050 HydrophobicContact CE1-CB 4.01Å; Y780-I1050 HydrophobicContact CE1-CD1 4.17Å; Y780-I1050 HydrophobicContact CE1-CG1 3.08Å; Y780-I1050 HydrophobicContact CE1-CG2 4.44Å; Y780-I1050 WeakPolarHBondContact CE1-O 3.29Å; Y780-I1050 PolarHBondContact OH-O 3.38Å; Y780-F1857 WeakPolarHBondContact OH-CD1 3.15Å
781P24.2Very low24Very low49 Ų49115.1 Ų115.132%0.31865%0.648SS.*PPolyproline II helixtrans-80.8116.6165.231.9-25.6000108.8
782T26Very low24.1Very low92 Ų92118 Ų11856%0.56465%0.654SS**PPolyproline II helixtrans-57139.5155.7-27.60000107.7I1912T782-I1912 HydrophobicContact CG2-CG2 4.2Å
783P24.1Very low24.3Very low57 Ų57117.7 Ų117.737%0.3766%0.657SS.*PPolyproline II helixtrans-60145.2175.7-1225.3000109.1S785P783-S785 PolarHBondContact O-N 3.36Å; P783-S785 VanDerWaalsContact O-N 3.07Å
784P23.5Very low24.6Very low122 Ų122117.9 Ų117.979%0.79267%0.665SS**PPolyproline II helixtrans-63.9116.1169.427.6-29.4000107.4Q786P784-Q786 PolarHBondContact O-N 3.43Å
785S26.6Very low24.7Very low94 Ų94122 Ų12266%0.65768%0.682SS**PPolyproline II helixtrans-59.3122.4162.345.90000107.4P783 E787P783-S785 PolarHBondContact O-N 3.36Å; P783-S785 VanDerWaalsContact O-N 3.07Å; S785-E787 VanDerWaalsContact C-N 3.33Å; S785-E787 PolarHBondContact O-N 2.82Å
786Q26.5Very low24.9Very low162 Ų162123 Ų12376%0.75769%0.689SS**  trans-69.481.5-171.8-161.2175.712.400110.8P784 A788P784-Q786 PolarHBondContact O-N 3.43Å; Q786-A788 PolarHBondContact O-N 3.23Å
787E22.1Very low25.1Very low187 Ų187123.4 Ų123.487%0.87469%0.691SS**  trans-75.973.9158.2-77.8-173.3159.600109S785S785-E787 VanDerWaalsContact C-N 3.33Å; S785-E787 PolarHBondContact O-N 2.82Å
788A24.8Very low25.3Very low79 Ų79126.6 Ų126.665%0.65369%0.692SS**  trans-157.248167.700000111.6Q786Q786-A788 PolarHBondContact O-N 3.23Å
789V26.2Very low25.6Very low119 Ų119130 Ų13072%0.72170%0.701SS**  trans-129.350.8162.1-167.30000109.5
790H24.2Very low25.7Very low183 Ų183128.7 Ų128.785%0.84771%0.714SS**  trans-143.384.9163.6-82.5-36.3000108.5
791Q24Very low25.9Very low200 Ų200130 Ų13094%0.93574%0.744SS**  trans166.786148.6-90.9164.94600109.8
792M24.2Very low26Very low192 Ų192132.7 Ų132.795%0.94677%0.771SS**  trans-114143.9144.3-80.3-167.7171.300108
793S23.9Very low26.3Very low119 Ų119134.2 Ų134.283%0.83278%0.782SS**  trans-66.9141.7-169.9-53.30000113.4
794P28.7Very low26.5Very low116 Ų116139.5 Ų139.575%0.75381%0.806SS**  trans-82-155.9164.837.1-35.1000110.7
795E25.3Very low26.6Very low161 Ų161141.7 Ų141.775%0.75281%0.805SS**  trans75.788.3173.7-60-167.9175.700116.9
796M27.5Very low26.5Very low193 Ų193142 Ų14295%0.95181%0.807SS**  -140.4131.4101.2-79-152.677.500111.3
797I27.3Very low26.5Very low125 Ų125139.9 Ų139.964%0.64181%0.81SS**  trans-86.7162.8-176.9-73164.4000110.5
798N28Very low26.7Very low137 Ų137134.2 Ų134.273%0.73380%0.801SS**  trans84.4130.1162.1-84.8-14.8000116.3
799Q30Very low26.7Very low179 Ų179138.7 Ų138.784%0.83681%0.809SS**  cis-154.1152.516-83.814323.200105.2
800G27.1Very low26.5Very low83 Ų83139.6 Ų139.686%0.85681%0.805SS**  cis133.7129.93600000107.2
801G29.4Very low26.5Very low82 Ų82137.8 Ų137.885%0.84580%0.799SS**  trans160.8117.2171.200000114.5
802A26.7Very low26.4Very low105 Ų105134.6 Ų134.687%0.86879%0.788SS**  trans-84.4145.1-151.300000118
803P31.5Very low26.4Very low124 Ų124133.6 Ų133.681%0.80578%0.781SS**  trans-103.6174.4173.540.7-34.5000114.2
804L28.4Very low26.3Very low168 Ų168132.7 Ų132.788%0.8877%0.774SS**  trans-138112171.7-80.1160.2000109.8
805H26.9Very low26.1Very low167 Ų167131.6 Ų131.677%0.77377%0.768SS**  849781.6-135.1-95.8000113.5
806C24.5Very low26Very low102 Ų102132.7 Ų132.769%0.68977%0.77SS**  86.3142.8105.7-71.10000114.1
807S25.7Very low25.9Very low116 Ų116130 Ų13081%0.81176%0.76SS**  cis-176.9158.426.341.10000111.9
808G26Very low25.7Very low68 Ų68131.6 Ų131.670%0.70177%0.765SS**  trans91.1115.8149.200000118
809Q24.6Very low25.7Very low174 Ų174131.5 Ų131.581%0.81376%0.762SS**  57.7138.492.5-88.4-172.2-44.800113.9
810E23.4Very low25.3Very low137 Ų137127 Ų12764%0.6475%0.751SS**  cis-176.4160.53.5-128.8168.7-145.500106.7
811M22.5Very low25.2Very low146 Ų146133.2 Ų133.272%0.71975%0.749SS**  trans69.3135.7150.2-68.6-152.5-104.500125.4
812D23.4Very low25Very low132 Ų132135.3 Ų135.371%0.70675%0.745SS**  trans80.5120132.8-75.3-1.6000125.7
813Q23.2Very low25.1Very low171 Ų171134.3 Ų134.380%0.79975%0.745SS**  66.2130.9121-137.877.80.300122.8
814C23.1Very low24.6Very low101 Ų101137.2 Ų137.268%0.68274%0.74SS**  trans93.8114.9139.3-1390000120
815C23.3Very low24.5Very low93 Ų93133.9 Ų133.963%0.62873%0.731SS**  82.3122117.2-55.90000120.7
816K22.5Very low24.5Very low184 Ų184132.4 Ų132.480%0.873%0.729SS**  64.7116.8129.5-73.5-176179-179.20116.6
817D25.7Very low24.4Very low136 Ų136135 Ų13573%0.72774%0.735SS**  170.6161.774.6-90.2-29.4000105.1
818E23.5Very low24.6Very low159 Ų159137 Ų13774%0.74374%0.735SS**  cis175.8171.8-11-164.4-175.7-143.500104.4
819I27.6Very low24.5Very low134 Ų134141.9 Ų141.969%0.68774%0.739SS**  trans93.392.6159.5-49.5159.9000115.5
820S22.3Very low24.6Very low86 Ų86139.2 Ų139.260%0.60174%0.74SS**  58128.178.871.90000114.1
821W25.9Very low24.8Very low213 Ų213136.3 Ų136.381%0.80775%0.747SS**  -177.6137.278.1-88.978.7000111.1
822T23.6Very low25.2Very low125 Ų125134 Ų13477%0.76775%0.745SS**  trans49.9136.1136.766.40000124.1
823G28.8Very low25.5Very low84 Ų84135.9 Ų135.987%0.86675%0.747SS**  trans156.3102.6146.600000117.4
824R22.7Very low25.8Very low185 Ų185137.5 Ų137.570%0.69875%0.746SS**  trans-84.2141157.1-97.5-179.5171.7179-2108.9L883 L884R824-L883 PolarHBondContact NH2-O 3Å; R824-L884 PolarHBondContact NH2-O 3.39Å
825S24.5Very low26Very low98 Ų98140.2 Ų140.269%0.68575%0.753SS**  trans174.2148.7137.9-141.60000112.9
826D27.4Very low26.3Very low137 Ų137139.1 Ų139.173%0.73376%0.757SS**  trans59.5127.2150.2-49.5-36.1000119.9
827L22.6Very low26.5Very low156 Ų156139.4 Ų139.482%0.81776%0.762SS**  cis72.579.126.9-137.1142.3000116.2
828I29.1Very low26.5Very low158 Ų158140 Ų14081%0.8176%0.764SS**  trans-147.6102.1158.2-65-175.5000106.6
829Q24.2Very low26.5Very low170 Ų170140.8 Ų140.879%0.79477%0.768SS**  42.4117.891.8-84.5-174.8-8.500113.8
830S27.2Very low26.3Very low119 Ų119139.1 Ų139.183%0.83277%0.774SS**  164.4155.161.651.40000110.6
831G28.7Very low26.4Very low76 Ų76139.1 Ų139.178%0.78478%0.779SS**  trans93.4121.8153.100000115.7
832S30.5Very low26.4Very low96 Ų96136.7 Ų136.767%0.67178%0.78SS**  cis-173.6135.819.9-169.30000110
833K29.5Very low26.4Very low172 Ų172134.7 Ų134.775%0.74878%0.777SS**  trans56.9137.3139-67.7176.2-172173.70118.2
834R29.8Very low26.1Very low206 Ų206139.2 Ų139.278%0.77778%0.775SS**  cis-175.6141.329.1-125167.7-176.6177-1.3109.5
835N26.5Very low26.2Very low158 Ų158138.3 Ų138.385%0.84578%0.779SS**  trans46.6135.9133.3-677.1000124.2
836G29.7Very low26.1Very low69 Ų69139.6 Ų139.671%0.71178%0.783SS**  trans127.887.1131.500000113.7
837Q26.4Very low25.9Very low190 Ų190140.8 Ų140.889%0.88879%0.787SS**  51.6111.881.6-91.5-175.4-28.900115.8
838L27Very low25.8Very low150 Ų150141.7 Ų141.779%0.78579%0.789SS**  167.2125.6119.9-128.173.1000106.4
839E23Very low25.5Very low174 Ų174138.6 Ų138.681%0.81378%0.782SS**  cis68.6129.945.8-124.4-177.8-148.800115.3
840A23.9Very low25.5Very low99 Ų99136.4 Ų136.482%0.81877%0.77SS**  trans79.9140.2171.900000116.3
841A23.9Very low25.2Very low87 Ų87139.7 Ų139.772%0.71977%0.769SS**  cis-166.8-179.324.700000111.8
842I26.1Very low24.9Very low161 Ų161140.7 Ų140.783%0.82676%0.756SS**  trans9497.1162.1-46.5170.7000113
843A22.4Very low24.6Very low83 Ų83141.5 Ų141.569%0.68675%0.753SS**  87.2138.662.600000113.6
844E23.9Very low24.2Very low180 Ų180136.7 Ų136.784%0.84175%0.745SS**  trans74.6140.8171.4-60.4177.3175.600116
845E24.1Very low23.9Very low166 Ų166131.5 Ų131.578%0.77674%0.74SS**  cis-161.9153.90.6-125.4-177.9170.900108.8
846T22.1Very low23.7Very low124 Ų124128.2 Ų128.276%0.76173%0.73SS**  trans-56.1141169.8-34.60000112.5
847I24Very low23.5Very low162 Ų162133.6 Ų133.683%0.83173%0.734SS**  trans-169130.2135.8-90.2145000109.4
848M21Very low23.3Very low175 Ų175129.2 Ų129.286%0.86272%0.724SS**  trans-110.6156.5-179.2-152.9-167.3-165.400109.1
849S21.7Very low23.2Very low93 Ų93127.4 Ų127.465%0.6572%0.724SS**  trans71.1164.2-179.186.40000114.7
850K23.6Very low23.2Very low125 Ų125127 Ų12754%0.54373%0.726SS.*  cis-109.8-139.54-61.8-174.4177.5-172.70112D272D272-K850 IonicContact OD2-NZ 2.66Å; D272-K850 PolarHBondContact OD2-NZ 2.67Å
851F20.9Very low23.2Very low187 Ų187129.3 Ų129.382%0.8273%0.725SS**  trans-162158.2-156.4-102.5-102.7000109.7
852L22.8Very low23.2Very low98 Ų98129.7 Ų129.751%0.51372%0.723SS.*  trans70.6118143.1-70.8158.5000123.2
853L23.6Very low23.2Very low113 Ų113127 Ų12759%0.59272%0.718SS**SBend-14999.9114.6-85.9173.4000106.7T268 K1178T268-L853 HydrophobicContact CG2-CD1 3.85Å; T268-L853 HydrophobicContact CG2-CG 4.19Å; L853-K1178 VanDerWaalsContact CD2-NZ 3.3Å
854A22.2Very low23.5Very low70 Ų70127.3 Ų127.358%0.57972%0.715SS**SBend-133.7133.390.900000112.7
855S23.5Very low23.6Very low98 Ų98125.1 Ų125.169%0.68571%0.708SS**SBendtrans57.590.2-177.750.10000117.5
856S23Very low23.8Very low89 Ų89125.8 Ų125.862%0.62270%0.704SS**  44.3110.9128.7-23.90000116.5
857F23.5Very low23.9Very low182 Ų182129.9 Ų129.980%0.79871%0.705SS**  -171148.356.6-95-93.3000108.9
858S23.2Very low24Very low98 Ų98125.5 Ų125.569%0.68570%0.7SS**  trans-115.4122.4154.457.30000109
859S24.9Very low24.2Very low112 Ų112123 Ų12378%0.78369%0.694SS**  -173.7123.7125.760.60000109.8
860L22.5Very low24.4Very low164 Ų164129.8 Ų129.886%0.85971%0.706SS**  trans-76.5154.7171.9-73.8122.8000111.8
861D23.7Very low24.5Very low148 Ų148128.4 Ų128.479%0.79171%0.712SS**  -168.4113.9120.3-107.2-24.1000107.7
862S25.1Very low24.7Very low96 Ų96127.3 Ų127.367%0.67171%0.714SS**  71.8134.581.477.30000111.7
863S25.8Very low24.8Very low105 Ų105127.7 Ų127.773%0.73473%0.725SS**  cis-165.9162.725.961.20000106.7
864S29Very low24.9Very low89 Ų89127.1 Ų127.162%0.62274%0.736SS**  178.9127.754.5-89.90000108.8
865L25.3Very low25Very low133 Ų133132.3 Ų132.370%0.69675%0.749SS**  76.8135.7106-68.6167.5000114.8
866R27.5Very low25.1Very low181 Ų181137.1 Ų137.168%0.68376%0.76SS**  cis-175169.621.4-99.5165.7-160.2-146.80.1105.3
867R25.4Very low25.1Very low210 Ų210138.5 Ų138.579%0.79276%0.764SS**  cis-177.1156.412.8-123.8174.4-159.8-179.50.8109
868G26.6Very low25.1Very low70 Ų70141 Ų14172%0.72277%0.77SS**  trans108.3139.8140.200000116.9
869V24.5Very low25.1Very low122 Ų122145.3 Ų145.374%0.73978%0.776SS**  cis172.4144.9-28.6143.10000105.5
870R26.7Very low25.6Very low235 Ų235145.2 Ų145.289%0.88777%0.773SS**  trans77.6148.3168.6-73.4158.7-166.5-146.93.4116.9
871S24Very low25.8Very low97 Ų97142.9 Ų142.968%0.67877%0.771SS**  cis160.6123.2-12.6155.60000104.6
872L26.5Very low25.9Very low163 Ų163145 Ų14585%0.85377%0.773SS**  trans169.3121.9130.9-96.3144.6000112.5
873S23.5Very low26Very low106 Ų106146.6 Ų146.674%0.74177%0.773SS**  trans-68.5149.6160.850.80000112.8
874A27.5Very low26Very low101 Ų101148.8 Ų148.884%0.83578%0.775SS**  -169.4116.3127.800000111.2
875Q22.6Very low26Very low180 Ų180149.4 Ų149.484%0.84178%0.778SS**  trans-69.7147.8154.7-69.7173-34.700109.1
876H27.1Very low26.1Very low198 Ų198147 Ų14792%0.91777%0.772SS**  -153.8126.2129.5-95.4117.2000111.5
877V22.7Very low25.9Very low118 Ų118147.6 Ų147.672%0.71578%0.78SS**  trans-72138.4168169.30000109.4
878Y23.3Very low25.9Very low235 Ų235145.8 Ų145.892%0.92278%0.78SS**  trans-144.6131.3144.9-127.9-90.5000110.5
879K24.2Very low25.9Very low189 Ų189145.6 Ų145.682%0.82278%0.778SS**  trans-93.4168.8-175.7-104.8-166.3175.9175.90111.9
880P35.4Very low25.9Very low110 Ų110145.3 Ų145.371%0.71478%0.782SS**  trans-109.9178.2-142.642.5-37.3000114.9
881S26Very low25.9Very low115 Ų115139.5 Ų139.580%0.80478%0.777SS**  trans-158.2121.6150.6-79.20000114.3
882K26.2Very low26Very low192 Ų192140.9 Ų140.984%0.83578%0.781SS**  trans25.8125.5142.9-52.7-177.8175.9179.90121.1
883L26.2Very low26Very low130 Ų130141.6 Ų141.668%0.68178%0.782SS**  159.4113.6105.6-83.4176.1000112R824R824-L883 PolarHBondContact NH2-O 3Å
884L27Very low26.4Very low150 Ų150140 Ų14079%0.78578%0.783SS**  trans-52.8174.4152.1-84.3155000111.3R824R824-L884 PolarHBondContact NH2-O 3.39Å
885P29Very low26.4Very low103 Ų103143.4 Ų143.467%0.66978%0.781SS**  cis-145.9169.825.334.4-9.7000118.7
886S25.7Very low26.7Very low83 Ų83142.2 Ų142.258%0.5878%0.78SS**  trans-33.4151.6157.744.10000119.2
887F24.8Very low26.9Very low193 Ų193139.8 Ų139.885%0.84677%0.773SS**  -142.7119.1123.9-91.9-84.9000107.4
888H24Very low27.4Very low171 Ų171139.1 Ų139.179%0.79277%0.771SS**  54.1129.6100.3-81.5-80.8000114.4
889G27.6Very low27.6Very low66 Ų66133.7 Ų133.768%0.6876%0.763SS**  cis176.3-162.47.400000116.3S891G889-S891 PolarHBondContact O-N 2.88Å
890S24.1Very low27.6Very low117 Ų117133.5 Ų133.582%0.81877%0.765SS**  trans-31.7127.9155.9-165.60000110.4
891S26.8Very low27.5Very low112 Ų112132.8 Ų132.878%0.78376%0.76SS**  -156.9157.589.450.80000114.4G889G889-S891 PolarHBondContact O-N 2.88Å
892T26Very low27.7Very low126 Ų126137.1 Ų137.177%0.77376%0.76SS**  trans-54.6141.5176.430.30000115.4
893M26.5Very low27.7Very low178 Ų178131.9 Ų131.988%0.87775%0.753SS**  trans67.5107144.2-76.5-92.1153.400120.5
894G31.1Very low27.9Very low74 Ų74134.1 Ų134.176%0.76376%0.764SS**  92.277.4118.500000120
895H29.3Very low28Very low171 Ų171129.6 Ų129.679%0.79275%0.753SS**  trans-14.8135.3139.7-93.1-77.4000116.2
896L28.1Very low28.1Very low155 Ų155130.1 Ų130.181%0.81276%0.759SS**  cis-163.1150.649.8-92.4134.2000114.1
897L30.2Very low28.4Very low148 Ų148132.5 Ų132.578%0.77577%0.77SS**  trans-42.2167.2164.5-88.9141.8000117.4
898P33.5Very low28.6Very low104 Ų104127.5 Ų127.568%0.67576%0.759SS**  -157.6-16853.546.2-23.5000120.4
899T28.1Very low29Very low120 Ų120128.7 Ų128.774%0.73677%0.765SS**  trans63.2102.5159.4580000118.7
900Q24.5Very low28.9Very low185 Ų185128.6 Ų128.686%0.86476%0.764SS**  47.9149.776.6-78-147.3-9.700115.7
901P31.9Very low29Very low95 Ų95129.8 Ų129.862%0.61777%0.771SS**  cis-135.2-177.518.619.610.3000112.2
902Y31.2Very low28.9Very low207 Ų207128.1 Ų128.181%0.81277%0.771SS**  cis-166.412849.4-98.4-91.1000107.1
903A26.2Very low29.4Very low82 Ų82125.6 Ų125.668%0.67877%0.77SS**  63126.993.900000114.4
904I31.3Very low29.8Very low177 Ų177122.6 Ų122.691%0.90876%0.764SS**  -173.9147.874-73.1155.3000105.6
905G29Very low29.6Very low55 Ų55127.5 Ų127.557%0.56777%0.765SS**  cis-153.7151.310.800000110.3
906S30.7Very low29.3Very low113 Ų113126.4 Ų126.479%0.7976%0.762SS**  90.3122.398.563.40000110.4
907T31.4Very low29.1Very low134 Ų134123.5 Ų123.582%0.82275%0.754SS**  cis-177.4156.525.6310000103.9
908S29.9Very low29.3Very low87 Ų87124 Ų12461%0.60876%0.757SS**  cis174.7145.3-0.347.90000106
909Q31.3Very low29.3Very low197 Ų197124.2 Ų124.292%0.92176%0.758SS**  trans62.9141144.5-64.1171.50.100118.6
910G26.5Very low29.1Very low63 Ų63126.4 Ų126.465%0.64976%0.764SS**  cis143.3142.611.200000109.3
911C24.7Very low29.5Very low143 Ų143120.7 Ų120.797%0.96676%0.756SS**  trans77.9148.3154.3-57.50000120.4
912G25.1Very low29.5Very low76 Ų76125.3 Ų125.378%0.78477%0.769SS**  trans-69.4175.3-172.300000116.3
913G36.6Very low29Very low74 Ų74123.7 Ų123.776%0.76377%0.769SS**  trans-55.2171.4-165.200000116.5
914P36.4Very low29.1Very low114 Ų114130 Ų13074%0.7478%0.776SS**  -155.4-163.473.141.7-20000114.3
915F24.9Very low28.7Very low177 Ų177126.5 Ų126.578%0.77676%0.764SS**  trans77.7126.6154.9-89.4-112.3000120.9
916M24Very low28.5Very low149 Ų149128.1 Ų128.173%0.73477%0.766SS**  57.7107.3125.8-66.3-68.2178.500118.6
917S23.7Very low28.2Very low93 Ų93130.9 Ų130.965%0.6577%0.767SS**  74.7104.6101.673.20000114.2
918L33.7Very low27.8Very low160 Ų160132.2 Ų132.284%0.83877%0.768SS**  53.7133.397.6-84.3159.9000113.9
919P33.4Very low27.5Very low108 Ų108132.3 Ų132.370%0.70177%0.774SS**  -149.4149.7100.326.2-4.3000117.7
920L25.7Very low27.1Very low165 Ų165128.2 Ų128.286%0.86477%0.767SS**  trans64.8121.3139.5-81.574000118
921G31.4Very low26.9Very low66 Ų66132 Ų13268%0.6877%0.772SS**SBendcis-145.2147.737.800000117
922Q31.8Very low26.9Very low192 Ų192136.4 Ų136.490%0.89777%0.768SS**  trans68.593.2154.1-58.5-177.5-8.100116.1
923Q22.2Very low27Very low173 Ų173136.3 Ų136.381%0.80877%0.767SS**  cis51.8107.637.3-89.5-167.4-17.500115.3
924Y27.5Very low26.4Very low213 Ų213136 Ų13684%0.83576%0.764SS**  -178.394.5122.8-96.1-79.2000106.6
925T23.4Very low25.9Very low105 Ų105139.2 Ų139.264%0.64477%0.773SS**  60135.7100.867.90000116.8
926S23.4Very low26Very low89 Ų89134 Ų13462%0.62277%0.769SS**  trans99.2125.8131.778.60000118.7
927Q25.8Very low26.1Very low171 Ų171131 Ų13180%0.79978%0.777SS**  trans82.3121138.7-68.7169.615.300116.4
928L22.5Very low26.2Very low162 Ų162130.2 Ų130.285%0.84878%0.783SS**  cis65.7144.249.1-138.5-177.6000110.8
929A22.7Very low25.8Very low88 Ų88126.3 Ų126.373%0.72778%0.782SS**  trans63.8169.8-154.800000111.5
930S23.4Very low25.4Very low112 Ų112124.5 Ų124.578%0.78378%0.783SS**  cis-136.5173.70.5-158.70000112
931L23.5Very low25.4Very low142 Ų142121.6 Ų121.674%0.74378%0.776SS**  trans-68.7136.8173.1-58.8159.4000109.8
932R24.1Very low25.1Very low236 Ų236127.2 Ų127.289%0.89178%0.782SS**  151.1125.4129.1-80150.6-163.5-117.60.8111.6
933G26.1Very low24.8Very low74 Ų74122.4 Ų122.476%0.76377%0.765SS**  93.2104.37200000104.9
934G25.8Very low24.9Very low67 Ų67122.1 Ų122.169%0.69176%0.764SS**  102.5149.462.100000107.3
935I25.4Very low24.9Very low181 Ų181117 Ų11793%0.92876%0.759SS**  trans73.8135.5148.7-49.9167.8000115.5
936G26.5Very low25Very low68 Ų68119.8 Ų119.870%0.70177%0.77SS**  trans96.2104.9159.500000109
937G26.2Very low25.2Very low87 Ų87119.8 Ų119.890%0.89778%0.775SS**  77115.660.200000105.5
938G26.2Very low25.1Very low75 Ų75116.5 Ų116.577%0.77377%0.771SS**  cis147.6-179.229.500000106
939G26Very low25.3Very low79 Ų79115.1 Ų115.181%0.81477%0.769SS**  trans73.593.2168.400000111.5
940G24.3Very low25.3Very low70 Ų70117.1 Ų117.172%0.72277%0.768SS**  cis76.4131.538.100000110.9
941S24.9Very low25.4Very low104 Ų104120.7 Ų120.773%0.72777%0.769SS**  trans59.6146.4167.6-63.20000114.3
942F26.1Very low25.5Very low184 Ų184122.4 Ų122.481%0.80777%0.774SS**  cis-115.2143.124.2-94.5-118.8000109.9
943V25.1Very low25.7Very low90 Ų90116.5 Ų116.555%0.54577%0.768SS.*  82.3101.852.6160.20000111.5
944H23.9Very low26.2Very low168 Ų168118.1 Ų118.178%0.77877%0.765SS**  trans80.7145.2142.8-78.5-100.4000118.9
945S26.9Very low26.3Very low105 Ų105121.6 Ų121.673%0.73477%0.768SS**  cis-162158.425.2-102.70000112.2
946N26.8Very low26.7Very low164 Ų164122.4 Ų122.488%0.87777%0.765SS**  trans-51.8148160.6-71.6-29.4000113.7
947A26.4Very low26.9Very low88 Ų88123.6 Ų123.673%0.72776%0.763SS**  173.7119.8124.200000111.8
948S25Very low26.9Very low102 Ų102126.3 Ų126.371%0.71376%0.755SS**  trans26.6157.2131.747.10000123.6
949V26.2Very low27Very low134 Ų134129.2 Ų129.281%0.81275%0.752SS**  trans71.1144.6160.6-79.30000117.8
950N23.7Very low26.9Very low130 Ų130131.1 Ų131.170%0.69575%0.752SS**  cis177.7150-24.2-130.1-5.8000104.2
951F24Very low27.3Very low186 Ų186131.9 Ų131.982%0.81675%0.752SS**  trans66.2137.2161.6-85.3-107.3000116.8
952E26.8Very low27.4Very low178 Ų178132.7 Ų132.783%0.83276%0.755SS**  cis-146.9152.931.8-72.2-177.3129.800112.9
953S28.1Very low27.4Very low112 Ų112128.2 Ų128.278%0.78375%0.752SS**  trans-64.7176.5166.5-62.40000111.9
954P36.1Very low27.3Very low108 Ų108129.8 Ų129.870%0.70177%0.766SS**  cis-156-18038.839.9-14.8000119.6
955N28.5Very low27.3Very low141 Ų141127.6 Ų127.675%0.75477%0.765SS**  trans106.4116.3146.9-69.5-27.1000119.9
956K32.9Very low27.4Very low197 Ų197133.3 Ų133.386%0.85777%0.77SS**  trans76.2130.4156.4-60.8173.3-179.1-1780115.7
957S30.1Very low27.3Very low93 Ų93130.1 Ų130.165%0.6576%0.761SS**  cis178.6130.2-839.80000105.9
958I28.1Very low27.2Very low145 Ų145135.8 Ų135.874%0.74477%0.769SS**  trans78.4109.4130.9-64.8175000119.5
959I27.5Very low27.2Very low136 Ų136135.8 Ų135.870%0.69777%0.769SS**  67.6112.7129.2-55-179.7000116.2
960S23.6Very low27.2Very low118 Ų118139 Ų13983%0.82578%0.775SS**  65.7146.869.4-51.20000114.8
961A32.8Very low27.2Very low86 Ų86141.3 Ų141.371%0.71178%0.782SS**  trans-52.1176.5-179.300000115.3
962P27.3Very low27.3Very low121 Ų121137.8 Ų137.879%0.78678%0.78SS**  -143.3152.8108.935.6-19.5000111.6
963A25Very low27.5Very low90 Ų90134.7 Ų134.774%0.74478%0.776SS**  cis67.7106.441.300000115.8
964S24.5Very low27.6Very low123 Ų123134.6 Ų134.686%0.8678%0.775SS**  trans72.9142.2139.4-159.90000122.4
965V24.3Very low27.4Very low122 Ų122135.2 Ų135.274%0.73978%0.777SS**  trans-61.4151.1165.9-165.90000112.1
966R26.9Very low27.5Very low225 Ų225135.6 Ų135.685%0.84978%0.778SS**  trans11088.2151.4-60.6-166-178.6-179.81.4117
967S25.4Very low27.5Very low97 Ų97133.9 Ų133.968%0.67878%0.778SS**  27.6116.9126.161.10000118.7
968F24.9Very low27.3Very low208 Ų208136.8 Ų136.891%0.91279%0.786SS**  -148.6136123.7-88.2-74.8000109.2
969S24.6Very low27.8Very low101 Ų101135.2 Ų135.271%0.70679%0.785SS**  trans-62.5138176.348.40000113.5
970E26Very low28.3Very low201 Ų201133.8 Ų133.894%0.93979%0.785SS**  trans-107119.6144.4-98.9-175.4163.800108.6
971Q24.1Very low28.6Very low179 Ų179134.2 Ų134.284%0.83679%0.788SS**  trans-86.5147.4166.5-73.1174.2-19.400109.4
972S25.3Very low28.6Very low112 Ų112136 Ų13678%0.78379%0.79SS**  -178.8161.7122.945.90000109.9
973P32.8Very low28.9Very low114 Ų114135.4 Ų135.474%0.7479%0.788SS**  cis-137.7148.2-37.834-18.8000111.1
974S29.5Very low29.1Very low110 Ų110136.8 Ų136.877%0.76979%0.793SS**  trans-179.4134.1134.925.40000112.9
975T31Very low29.9Very low120 Ų120136.4 Ų136.474%0.73679%0.787SS**  trans76.7101.7148.741.50000120.7
976L30.9Very low30.3Very low149 Ų149138.9 Ų138.978%0.7879%0.79SS**  102.8117.8118.9-70.6166.5000119.2
977L32.4Very low30.6Very low162 Ų162136.4 Ų136.485%0.84879%0.786SS**  trans10186.1146.2-63.7154.8000119.1
978N26.3Very low30.9Very low153 Ų153137 Ų13782%0.81879%0.786SS**  trans-72.5-179.5146.3-90.5-20.5000111.5
979P39.1Very low31.2Very low113 Ų113135.8 Ų135.873%0.73478%0.78SS**  cis-126.7-123-34.536-15.2000108.1
980P37Very low31.6Very low105 Ų105136.7 Ų136.768%0.68278%0.781SS**  cis-124.8176.8-47.437.5-22000114.5
981S31.4Very low31.9Very low128 Ų128133 Ų13390%0.89577%0.774SS**  trans-145.7141.713854.20000111.4
982V32.1Very low32.2Very low123 Ų123136.6 Ų136.675%0.74578%0.78SS**  trans-108.5147.1-164.4179.90000109.6
983S32.5Very low32.5Very low108 Ų108137.8 Ų137.876%0.75578%0.783SS**  trans135.583.1140.3-52.10000115.8
984S29.2Very low32.7Very low120 Ų120138.5 Ų138.584%0.83979%0.788SS**  29.1160120.3-61.80000125.7
985P42.9Very low32.7Very low114 Ų114136.8 Ų136.874%0.7479%0.788SS**  trans-113.8174.2-156.741.1-27.5000116.3
986H31.8Very low32.7Very low175 Ų175135.6 Ų135.681%0.8179%0.79SS**  trans-144.4151.4167-87.2-80.9000107
987F32.6Very low32.7Very low173 Ų173135.5 Ų135.576%0.75979%0.79SS**  cis-177.5151.5-11.8-139.4-105.2000104.1
988V32.5Very low32.7Very low110 Ų110135.1 Ų135.167%0.66779%0.788SS**  trans73.7129.9159.5-171.10000117
989K31.9Very low32.9Very low182 Ų182137 Ų13779%0.79179%0.792SS**  cis-168.9153.13.4-98.1164.5-174173.50103.6
990T32.3Very low32.4Very low120 Ų120137.3 Ų137.374%0.73680%0.797SS**  cis179.71486.725.80000107.2
991P32Very low32.2Very low123 Ų123138.4 Ų138.480%0.79980%0.804SS**  trans-103.1141155.834.3-24.5000111.2
992R30Very low31.8Very low254 Ų254140.3 Ų140.396%0.95880%0.801SS**  trans-149.8126.1158.1-82.5-168.1177.6174.2-1.8110.4
993T31.9Very low31.8Very low137 Ų137139.6 Ų139.684%0.8480%0.801SS**  trans-94.4176.4159.934.80000109.9
994P36.7Very low31.7Very low129 Ų129142 Ų14284%0.83881%0.806SS**  cis-126.3-174.3-2839.2-24.4000112.5
995G30.3Very low31.6Very low75 Ų75141 Ų14177%0.77380%0.804SS**  trans146.3113.3152.500000117.4
996A30.5Very low30.9Very low95 Ų95140.9 Ų140.979%0.78581%0.807SS**  trans51.3134.314700000123.3
997D31Very low30.7Very low147 Ų147138.2 Ų138.279%0.78681%0.807SS**  trans91.5113.5149.3-63.5-23.6000122.5
998L31.8Very low30.5Very low153 Ų153133.6 Ų133.680%0.80180%0.801SS**  trans70.1101.9137.3-63.4166.5000120
999Q30.7Very low30.5Very low192 Ų192139.3 Ų139.390%0.89781%0.813SS**  169.5130103.9-92.4177.2-3.600110.8
1000S29Very low30.4Very low121 Ų121134.9 Ų134.985%0.84681%0.81SS**  trans-64.8153.8-178.4-42.20000113.2
1001P32.2Very low30.4Very low128 Ų128140 Ų14083%0.83182%0.816SS**  -130.6179.9105.438.9-33.5000114.7
1002M24.6Very low30.4Very low168 Ų168141.5 Ų141.583%0.82882%0.817SS**  trans-114.1146.6171.9-82.1162.742.700109
1003S32.3Very low30.5Very low107 Ų107137.7 Ų137.775%0.74881%0.814SS**  172.2111.1118.4-72.50000112.9
1004N29.4Very low30.4Very low160 Ų160136.8 Ų136.886%0.85681%0.814SS**  trans52.2106.8136.7-63.6-4.9000123
1005A27.1Very low30.1Very low97 Ų97135.8 Ų135.880%0.80281%0.81SS**  178.1126.7119.900000106.2
1006S28.3Very low30.2Very low113 Ų113140.2 Ų140.279%0.7981%0.814SS**  cis-165.6152.720.8-64.80000108.5
1007S27.1Very low30.2Very low118 Ų118143.3 Ų143.383%0.82581%0.812SS**  trans172.1135.5132.1470000114.1
1008A28.6Very low30Very low76 Ų76141.7 Ų141.763%0.62881%0.81SS**  trans52.9117.5137.200000120.3
1009Y33Very low30Very low231 Ų231140.8 Ų140.891%0.90681%0.81SS**  175.9140.294.1-104.9-85.7000110.8
1010A30.3Very low29.8Very low88 Ų88136 Ų13673%0.72780%0.798SS**  trans-60.7140.8175.700000113.3
1011R31.5Very low29.8Very low229 Ų229136 Ų13686%0.86480%0.796SS**  165.9115123.9-90.8-173.9-165.8174.96110.7
1012N32.7Very low29.6Very low154 Ų154136.8 Ų136.882%0.82479%0.794SS**  176.3119.7110-90.8-31.5000111.1
1013L32.5Very low29.8Very low173 Ų173139.1 Ų139.191%0.90680%0.8SS**  trans-75111.2163.2-77148.7000108.3
1014S27.9Very low30.3Very low119 Ų119136.9 Ų136.983%0.83279%0.794SS**  trans168.683.1146.532.50000111.1
1015S32.3Very low31.3Very low107 Ų107137.9 Ų137.975%0.74879%0.793SS**  trans-15399.2145.8-170.50000107.4
1016I32.1Very low33.2Very low169 Ų169136.3 Ų136.387%0.86777%0.773SS**  trans-89.2101.8164.1-71.9165.5000104.5
1017E29.6Very low35.6Very low160 Ų160134.3 Ų134.375%0.74876%0.758SS**  trans-104.6130.2147.9-74.9-170.9163.500106.4V1019E1017-V1019 PolarHBondContact O-N 3.19Å
1018P27.7Very low38.2Very low113 Ų113133.7 Ų133.773%0.73474%0.742SS**  trans-73.9100.1-179.231.1-29.2000107.5S1020P1018-S1020 PolarHBondContact O-N 3.3Å
1019V30.9Very low40.9Very low133 Ų133130.3 Ų130.381%0.80672%0.715SS**  trans-65.7108.2162.9-1800000105.9E1017 C1021E1017-V1019 PolarHBondContact O-N 3.19Å; V1019-C1021 PolarHBondContact O-N 2.96Å
1020S27.5Very low43.5Very low92 Ų92121.8 Ų121.864%0.64368%0.683SS**  trans-55.2120.2169.4-58.30000106.9P1018 D1022P1018-S1020 PolarHBondContact O-N 3.3Å; S1020-D1022 VanDerWaalsContact C-N 3.32Å; S1020-D1022 PolarHBondContact O-N 3.17Å
1021C27.8Very low46.2Very low120 Ų120117.8 Ų117.881%0.81165%0.65SS**  trans-64.694.7172.3-68.60000108.6V1019 F1023V1019-C1021 PolarHBondContact O-N 2.96Å; C1021-F1023 PolarHBondContact O-N 3.47Å
1022D27.9Very low48.9Very low146 Ų146106.9 Ų106.978%0.78161%0.609SS**  trans-66112.4163.9-78-30000108.4S1020 G1024S1020-D1022 VanDerWaalsContact C-N 3.32Å; S1020-D1022 PolarHBondContact O-N 3.17Å; D1022-G1024 PolarHBondContact O-N 3.03Å
1023F29.6Very low51.5Low217 Ų21799.8 Ų99.895%0.95257%0.572SS**SBendtrans-58.793.8164.8-86.9-101.2000109C1021C1021-F1023 PolarHBondContact O-N 3.47Å
1024G41.8Very low54.2Low60 Ų6091.8 Ų91.862%0.61953%0.529SS*.  trans-169.12.4-177.400000120.8D1022 T1026D1022-G1024 PolarHBondContact O-N 3.03Å; G1024-T1026 PolarHBondContact O-N 3.34Å
1025H52.2Low57.2Low181 Ų18186.1 Ų86.184%0.83849%0.49SS*.  trans-85.896.3-179.1-75.7-75000112.4
1026T65.5Low59.8Low64 Ų6481 Ų8139%0.39345%0.454SS..PPolyproline II helixtrans-72.1134.8165.951.20000110.5G250 G1024G250-T1026 WeakPolarHBondContact O-CB 3.4Å; G1024-T1026 PolarHBondContact O-N 3.34Å
1027C78.3Confident62.4Low70 Ų7073.1 Ų73.147%0.47341%0.414SS..EExtended strand (participates in β ladder)trans-70.3143.7173.4-62.40000110.6G250 V251 K252 V1203G250-C1027 PolarHBondContact O-N 3.05Å; V251-C1027 CarbonylContact C-O 3.58Å; V251-C1027 WeakPolarHBondContact CA-O 3.26Å; K252-C1027 PolarHBondContact N-O 3.08Å; C1027-V1203 HydrophobicContact CB-CG1 4.34Å
1028E83Confident65.1Low105 Ų10565.5 Ų65.549%0.49138%0.378SS..EExtended strand (participates in β ladder)trans-90.8138175.4-65.8-166.1154.400110.9K252 I1206K252-E1028 HydrophobicContact CB-CG 4.5Å; E1028-I1206 HydrophobicContact CB-CD1 4.23Å
1029G84.5Confident67.9Low5 Ų560.5 Ų60.55%0.05235%0.346CS..EExtended strand (participates in β ladder)trans-130.9158.4174.500000112.1K252 L253 G1031K252-G1029 PolarHBondContact O-N 3.37Å; L253-G1029 WeakPolarHBondContact CD2-O 3.48Å; G1029-G1031 PolarHBondContact O-N 3.34Å
1030H87.1Confident70.2Confident53 Ų5354.2 Ų54.225%0.24531%0.308CS..  trans-91.2108-176.6-161.3-58.1000111.9E205 L1032 V1033 L1034 S1202 I1206E205-H1030 IonicContact OE2-CE1 2.67Å; H1030-L1032 PolarHBondContact ND1-N 3.45Å; H1030-L1032 PolarHBondContact O-N 2.96Å; H1030-V1033 HydrophobicContact CB-CB 3.94Å; H1030-V1033 HydrophobicContact CB-CG2 3.82Å; H1030-V1033 PolarHBondContact ND1-N 3.08Å; H1030-V1033 PolarHBondContact O-N 2.89Å; H1030-L1034 PolarHBondContact O-N 3.21Å; H1030-L1034 VanDerWaalsContact O-N 3.07Å; H1030-S1202 PolarHBondContact N-O 3.48Å; H1030-I1206 HydrophobicContact CB-CD1 4.11Å; H1030-I1206 HydrophobicContact CB-CG1 4.06Å
1031G88Confident72.4Confident3 Ų350 Ų503%0.03128%0.278CS..Hα-helixtrans-58.7-41.1-175.400000114.5G1029 L1034 A1035G1029-G1031 PolarHBondContact O-N 3.34Å; G1031-L1034 PolarHBondContact O-N 3Å; G1031-A1035 PolarHBondContact O-N 3.03Å; G1031-A1035 VanDerWaalsContact O-N 3.09Å
1032L88.4Confident74.3Confident1 Ų144.9 Ų44.91%0.00524%0.242CC..Hα-helixtrans-67-39.6176.8-178.661000112.5E205 W206 F209 H1030 L1034 A1035 L1036E205-L1032 HydrophobicContact CB-CD2 3.74Å; W206-L1032 HydrophobicContact CD2-CD1 3.91Å; W206-L1032 HydrophobicContact CE3-CD1 4.13Å; W206-L1032 HydrophobicContact CG-CD1 4.26Å; W206-L1032 HydrophobicContact CZ2-CB 4.29Å; F209-L1032 HydrophobicContact CD2-CD1 4Å; F209-L1032 HydrophobicContact CD2-CD2 4.11Å; F209-L1032 HydrophobicContact CE2-CD2 4.08Å; H1030-L1032 PolarHBondContact ND1-N 3.45Å; H1030-L1032 PolarHBondContact O-N 2.96Å; L1032-L1034 VanDerWaalsContact C-N 3.34Å; L1032-L1034 PolarHBondContact O-N 2.85Å; L1032-A1035 PolarHBondContact O-N 3.1Å; L1032-L1036 HydrophobicContact CD1-CD1 4.35Å; L1032-L1036 HydrophobicContact CD1-CG 4.21Å; L1032-L1036 HydrophobicContact CG-CD1 4.03Å; L1032-L1036 HydrophobicContact CG-CG 4.34Å; L1032-L1036 WeakPolarHBondContact O-CB 3.4Å; L1032-L1036 WeakPolarHBondContact O-CG 3.24Å; L1032-L1036 PolarHBondContact O-N 2.99Å
1033V87.9Confident76.2Confident5 Ų538.9 Ų38.93%0.0321%0.21CC..Hα-helixtrans-62-44.7176.7167.70000109.9V6 L43 H1030 A1035 L1036 L1037 A1205V6-V1033 HydrophobicContact CG2-CG2 3.96Å; L43-V1033 HydrophobicContact CD1-CB 4.21Å; L43-V1033 HydrophobicContact CD1-CG1 3.59Å; L43-V1033 HydrophobicContact CD1-CG2 3.89Å; H1030-V1033 HydrophobicContact CB-CB 3.94Å; H1030-V1033 HydrophobicContact CB-CG2 3.82Å; H1030-V1033 PolarHBondContact ND1-N 3.08Å; H1030-V1033 PolarHBondContact O-N 2.89Å; V1033-A1035 VanDerWaalsContact C-N 3.33Å; V1033-A1035 PolarHBondContact O-N 3.2Å; V1033-L1036 PolarHBondContact O-N 2.9Å; V1033-L1037 HydrophobicContact CG1-CD1 3.8Å; V1033-L1037 HydrophobicContact CG1-CG 4.14Å; V1033-L1037 WeakPolarHBondContact O-CB 3.4Å; V1033-L1037 VanDerWaalsContact O-CG 3.22Å; V1033-L1037 WeakPolarHBondContact O-CG 3.11Å; V1033-L1037 PolarHBondContact O-N 3.13Å; V1033-A1205 HydrophobicContact CG1-CB 4.37Å; V1033-A1205 HydrophobicContact CG2-CB 4.46Å
1034L89.1Confident78.5Confident4 Ų429.3 Ų29.32%0.02117%0.169CC..Hα-helixtrans-56.2-48.6174177.862.2000111.4I180 L253 H1030 G1031 L1032 L1036 L1037 I1038 A1198 L1199I180-L1034 HydrophobicContact CD1-CD2 4.06Å; I180-L1034 HydrophobicContact CD1-CG 4.48Å; L253-L1034 HydrophobicContact CD1-CD2 3.6Å; H1030-L1034 PolarHBondContact O-N 3.21Å; H1030-L1034 VanDerWaalsContact O-N 3.07Å; G1031-L1034 PolarHBondContact O-N 3Å; L1032-L1034 VanDerWaalsContact C-N 3.34Å; L1032-L1034 PolarHBondContact O-N 2.85Å; L1034-L1036 PolarHBondContact O-N 2.73Å; L1034-L1037 PolarHBondContact O-N 3.2Å; L1034-I1038 HydrophobicContact CD1-CD1 3.77Å; L1034-I1038 HydrophobicContact CD1-CG1 4.4Å; L1034-I1038 HydrophobicContact CG-CD1 4.08Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.34Å; L1034-I1038 PolarHBondContact O-N 3.16Å; L1034-A1198 HydrophobicContact CD1-CB 3.73Å; L1034-L1199 HydrophobicContact CD1-CB 4.33Å; L1034-L1199 HydrophobicContact CD2-CD1 4.09Å
1035A89.4Confident80.2Confident0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-63.5-41.4179.900000112.5W206 G1031 L1032 V1033 S1039W206-A1035 HydrophobicContact CH2-CB 3.59Å; W206-A1035 HydrophobicContact CZ2-CB 4.39Å; W206-A1035 HydrophobicContact CZ3-CB 4.05Å; G1031-A1035 PolarHBondContact O-N 3.03Å; G1031-A1035 VanDerWaalsContact O-N 3.09Å; L1032-A1035 PolarHBondContact O-N 3.1Å; V1033-A1035 VanDerWaalsContact C-N 3.33Å; V1033-A1035 PolarHBondContact O-N 3.2Å; A1035-S1039 WeakPolarHBondContact O-CB 3.03Å; A1035-S1039 PolarHBondContact O-N 3.36Å
1036L88.1Confident81.7Confident1 Ų121.2 Ų21.21%0.00512%0.116CC..Hα-helixtrans-66-46.6177.1-73.4174000111.3V6 W27 F209 L1032 V1033 L1034 I1038 S1039 D1040V6-L1036 HydrophobicContact CG1-CD1 3.81Å; W27-L1036 WeakPolarHBondContact CZ2-O 3.5Å; F209-L1036 HydrophobicContact CD1-CD2 3.82Å; F209-L1036 HydrophobicContact CE1-CD2 4.05Å; F209-L1036 HydrophobicContact CE2-CD1 4.26Å; F209-L1036 HydrophobicContact CG-CD2 4.05Å; F209-L1036 HydrophobicContact CZ-CD1 4.2Å; F209-L1036 HydrophobicContact CZ-CD2 4.5Å; L1032-L1036 HydrophobicContact CD1-CD1 4.35Å; L1032-L1036 HydrophobicContact CD1-CG 4.21Å; L1032-L1036 HydrophobicContact CG-CD1 4.03Å; L1032-L1036 HydrophobicContact CG-CG 4.34Å; L1032-L1036 WeakPolarHBondContact O-CB 3.4Å; L1032-L1036 WeakPolarHBondContact O-CG 3.24Å; L1032-L1036 PolarHBondContact O-N 2.99Å; V1033-L1036 PolarHBondContact O-N 2.9Å; L1034-L1036 PolarHBondContact O-N 2.73Å; L1036-I1038 VanDerWaalsContact C-N 3.26Å; L1036-I1038 PolarHBondContact O-N 3.12Å; L1036-S1039 WeakPolarHBondContact CA-OG 3.48Å; L1036-S1039 PolarHBondContact O-N 3.37Å; L1036-S1039 PolarHBondContact O-OG 3.29Å; L1036-D1040 PolarHBondContact O-N 3.27Å
1037L85.9Confident82.4Confident2 Ų219.7 Ų19.71%0.0110%0.103CC..Hα-helixtrans-56.1-41.2179.8-76176.5000112.4R29 L41 L43 V1033 L1034 I1043 A1198 Q1201R29-L1037 VanDerWaalsContact NH1-CD2 3.27Å; R29-L1037 PolarHBondContact NH2-O 3.47Å; L41-L1037 WeakPolarHBondContact O-CD2 3.06Å; L43-L1037 HydrophobicContact CD2-CD2 4.12Å; L43-L1037 HydrophobicContact CG-CD2 3.89Å; L43-L1037 HydrophobicContact CG-CG 4.42Å; V1033-L1037 HydrophobicContact CG1-CD1 3.8Å; V1033-L1037 HydrophobicContact CG1-CG 4.14Å; V1033-L1037 WeakPolarHBondContact O-CB 3.4Å; V1033-L1037 VanDerWaalsContact O-CG 3.22Å; V1033-L1037 WeakPolarHBondContact O-CG 3.11Å; V1033-L1037 PolarHBondContact O-N 3.13Å; L1034-L1037 PolarHBondContact O-N 3.2Å; L1037-I1043 WeakPolarHBondContact O-CD1 3.42Å; L1037-A1198 HydrophobicContact CB-CB 4.04Å; L1037-A1198 HydrophobicContact CD1-CB 4.35Å; L1037-Q1201 HydrophobicContact CD1-CB 3.64Å
1038I86.5Confident82.6Confident1 Ų116.4 Ų16.41%0.0058%0.081CC..Hα-helixtrans-77.1-28.9178.1-56.1166000111.7W178 I180 L1034 L1036 D1040 I1043 A1198W178-I1038 HydrophobicContact CB-CG2 4.5Å; W178-I1038 HydrophobicContact CD2-CB 4.08Å; W178-I1038 HydrophobicContact CD2-CG2 3.26Å; W178-I1038 HydrophobicContact CE3-CG2 3.58Å; W178-I1038 HydrophobicContact CG-CB 4.24Å; W178-I1038 HydrophobicContact CG-CD1 4.18Å; W178-I1038 HydrophobicContact CG-CG2 3.66Å; W178-I1038 HydrophobicContact CH2-CG2 4.19Å; W178-I1038 HydrophobicContact CZ2-CB 4.28Å; W178-I1038 HydrophobicContact CZ2-CG2 3.9Å; W178-I1038 HydrophobicContact CZ3-CG2 4.02Å; I180-I1038 HydrophobicContact CD1-CD1 3.94Å; L1034-I1038 HydrophobicContact CD1-CD1 3.77Å; L1034-I1038 HydrophobicContact CD1-CG1 4.4Å; L1034-I1038 HydrophobicContact CG-CD1 4.08Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.34Å; L1034-I1038 PolarHBondContact O-N 3.16Å; L1036-I1038 VanDerWaalsContact C-N 3.26Å; L1036-I1038 PolarHBondContact O-N 3.12Å; I1038-D1040 PolarHBondContact O-N 3.16Å; I1038-I1043 HydrophobicContact CB-CG2 4.44Å; I1038-I1043 HydrophobicContact CG2-CG2 3.75Å; I1038-I1043 WeakPolarHBondContact O-CB 3.12Å; I1038-I1043 WeakPolarHBondContact O-CG2 3.36Å; I1038-A1198 HydrophobicContact CD1-CB 4.45Å; I1038-A1198 HydrophobicContact CG1-CB 3.88Å
1039S85.8Confident82.4Confident8 Ų813 Ų136%0.0567%0.069CC..Hα-helixtrans-71.7-11.6-179.874.40000115.6K89 W178 A1035 L1036K89-S1039 WeakPolarHBondContact CE-O 3.45Å; W178-S1039 VanDerWaalsContact CZ2-CA 3.5Å; A1035-S1039 WeakPolarHBondContact O-CB 3.03Å; A1035-S1039 PolarHBondContact O-N 3.36Å; L1036-S1039 WeakPolarHBondContact CA-OG 3.48Å; L1036-S1039 PolarHBondContact O-N 3.37Å; L1036-S1039 PolarHBondContact O-OG 3.29Å
1040D80.8Confident81.9Confident0 Ų014.1 Ų14.10%07%0.073CC..SBendtrans-57.7141.6175.4-179.916.1000111.1W27 R28 R29 L1036 I1038 F1042 I1043 D1044W27-D1040 HydrophobicContact CH2-CB 3.72Å; W27-D1040 HydrophobicContact CZ2-CB 3.95Å; W27-D1040 HydrophobicContact CZ3-CB 4.29Å; R28-D1040 VanDerWaalsContact CA-OD1 3.23Å; R28-D1040 WeakPolarHBondContact CA-OD1 3.23Å; R28-D1040 WeakPolarHBondContact CB-OD1 3.33Å; R29-D1040 IonicContact CZ-OD2 3.37Å; R29-D1040 IonicContact NE-OD2 2.78Å; R29-D1040 PolarHBondContact NE-OD2 3.3Å; R29-D1040 IonicContact NH1-OD2 3.18Å; R29-D1040 VanDerWaalsContact NH2-CB 3.3Å; R29-D1040 IonicContact NH2-OD2 2.77Å; R29-D1040 PolarHBondContact NH2-OD2 2.97Å; L1036-D1040 PolarHBondContact O-N 3.27Å; I1038-D1040 PolarHBondContact O-N 3.16Å; D1040-F1042 PolarHBondContact O-N 3.28Å; D1040-F1042 VanDerWaalsContact O-N 3.09Å; D1040-F1042 PolarHBondContact OD1-N 2.98Å; D1040-F1042 WeakPolarHBondContact OD2-CB 3.35Å; D1040-F1042 VanDerWaalsContact OD2-CD2 3.24Å; D1040-F1042 WeakPolarHBondContact OD2-CD2 3.18Å; D1040-I1043 PolarHBondContact O-N 2.93Å; D1040-D1044 PolarHBondContact O-N 3.44Å
1041T72.8Confident81.4Confident4 Ų413.1 Ų13.13%0.0257%0.068CC..THydrogen-bonded Turntrans-57.1-22.5176.462.70000113.9V26 R28 M86 K89 I1043 L1045V26-T1041 HydrophobicContact CG2-CG2 3.17Å; R28-T1041 HydrophobicContact CB-CG2 4.18Å; R28-T1041 WeakPolarHBondContact CB-OG1 3.5Å; M86-T1041 HydrophobicContact CE-CG2 3.97Å; M86-T1041 HydrophobicContact SD-CG2 3.74Å; K89-T1041 HydrophobicContact CB-CG2 4.45Å; K89-T1041 HydrophobicContact CG-CG2 3.94Å; T1041-I1043 PolarHBondContact O-N 3.08Å; T1041-L1045 WeakPolarHBondContact O-CD2 3.07Å; T1041-L1045 WeakPolarHBondContact O-CG 3.24Å
1042F67.4Low80.9Confident12 Ų1214.2 Ų14.25%0.0537%0.073CC..THydrogen-bonded Turntrans-65.6-27.4172.1-77.4-71.4000113R29 P31 D1040 F1070 Y1071R29-F1042 HydrophobicContact CB-CD2 3.91Å; R29-F1042 HydrophobicContact CB-CE2 3.64Å; R29-F1042 WeakPolarHBondContact O-CE2 3.44Å; P31-F1042 HydrophobicContact CB-CZ 4.19Å; P31-F1042 HydrophobicContact CG-CZ 3.95Å; D1040-F1042 PolarHBondContact O-N 3.28Å; D1040-F1042 VanDerWaalsContact O-N 3.09Å; D1040-F1042 PolarHBondContact OD1-N 2.98Å; D1040-F1042 WeakPolarHBondContact OD2-CB 3.35Å; D1040-F1042 VanDerWaalsContact OD2-CD2 3.24Å; D1040-F1042 WeakPolarHBondContact OD2-CD2 3.18Å; F1042-F1070 HydrophobicContact CD1-CB 4.45Å; F1042-F1070 HydrophobicContact CE1-CB 4.16Å; F1042-Y1071 HydrophobicContact CB-CD1 4.34Å; F1042-Y1071 HydrophobicContact CB-CE1 4.37Å; F1042-Y1071 AromaticContact CD1-CD1 3.73Å; F1042-Y1071 HydrophobicContact CD1-CD1 3.73Å; F1042-Y1071 AromaticContact CD1-CE1 3.36Å; F1042-Y1071 HydrophobicContact CD1-CE1 3.36Å; F1042-Y1071 HydrophobicContact CE1-CE1 4.02Å; F1042-Y1071 HydrophobicContact CG-CE1 4.23Å; F1042-Y1071 VanDerWaalsContact O-CD1 3.25Å; F1042-Y1071 WeakPolarHBondContact O-CD1 3.36Å
1043I67.9Low80.1Confident21 Ų2115.2 Ų15.211%0.1088%0.081CC..THydrogen-bonded Turntrans-107.8-39.8-175.3-66164.5000110.8L41 L1037 I1038 D1040 T1041 L1194L41-I1043 HydrophobicContact CD2-CD1 3.91Å; L1037-I1043 WeakPolarHBondContact O-CD1 3.42Å; I1038-I1043 HydrophobicContact CB-CG2 4.44Å; I1038-I1043 HydrophobicContact CG2-CG2 3.75Å; I1038-I1043 WeakPolarHBondContact O-CB 3.12Å; I1038-I1043 WeakPolarHBondContact O-CG2 3.36Å; D1040-I1043 PolarHBondContact O-N 2.93Å; T1041-I1043 PolarHBondContact O-N 3.08Å; I1043-L1194 HydrophobicContact CG1-CD1 4.31Å; I1043-L1194 HydrophobicContact CG1-CD2 4.19Å; I1043-L1194 HydrophobicContact CG2-CB 4.5Å; I1043-L1194 HydrophobicContact CG2-CD1 4.16Å
1044D79.3Confident79.6Confident15 Ų1516.8 Ų16.88%0.089%0.092CC..SBendtrans-100.476.9175.8-168.535.3000111.4K89 R106 W178 D1040 H1046K89-D1044 IonicContact NZ-OD2 3.67Å; K89-D1044 PolarHBondContact NZ-OD2 3.37Å; R106-D1044 IonicContact CZ-OD1 2.89Å; R106-D1044 IonicContact CZ-OD2 3.82Å; R106-D1044 IonicContact NH1-OD1 3.54Å; R106-D1044 IonicContact NH1-OD2 3.25Å; R106-D1044 PolarHBondContact NH1-OD2 3.48Å; R106-D1044 IonicContact NH2-OD1 3.04Å; R106-D1044 PolarHBondContact NH2-OD1 2.88Å; R106-D1044 IonicContact NH2-OD2 3.89Å; R106-D1044 PolarHBondContact NH2-OD2 3.12Å; W178-D1044 HydrophobicContact CH2-CB 3.55Å; W178-D1044 VanDerWaalsContact CH2-CG 3.46Å; W178-D1044 HydrophobicContact CZ3-CB 3.93Å; D1040-D1044 PolarHBondContact O-N 3.44Å; D1044-H1046 VanDerWaalsContact CG-NE2 3.33Å; D1044-H1046 PolarHBondContact O-CD2 2.83Å; D1044-H1046 IonicContact OD1-NE2 2.74Å; D1044-H1046 PolarHBondContact OD1-NE2 3.45Å; D1044-H1046 IonicContact OD2-CD2 3.9Å; D1044-H1046 IonicContact OD2-NE2 2.67Å; D1044-H1046 PolarHBondContact OD2-NE2 2.82Å
1045L76.2Confident79.2Confident47 Ų4717.4 Ų17.425%0.24610%0.096CC..  trans-79127.5-175-71.6163.7000113T1041 Y1071 V1100T1041-L1045 WeakPolarHBondContact O-CD2 3.07Å; T1041-L1045 WeakPolarHBondContact O-CG 3.24Å; L1045-Y1071 HydrophobicContact CD1-CD1 3.79Å; L1045-Y1071 HydrophobicContact CD1-CD2 4.02Å; L1045-Y1071 HydrophobicContact CD1-CE1 4.26Å; L1045-Y1071 HydrophobicContact CD1-CE2 4.45Å; L1045-Y1071 HydrophobicContact CD1-CG 3.68Å; L1045-Y1071 HydrophobicContact CD2-CD1 3.84Å; L1045-Y1071 HydrophobicContact CD2-CD2 4.44Å; L1045-Y1071 HydrophobicContact CD2-CE1 3.43Å; L1045-Y1071 VanDerWaalsContact CD2-CE1 3.43Å; L1045-Y1071 HydrophobicContact CD2-CE2 4.08Å; L1045-Y1071 HydrophobicContact CD2-CG 4.35Å; L1045-Y1071 HydrophobicContact CG-CD1 4.23Å; L1045-Y1071 HydrophobicContact CG-CE1 4.3Å; L1045-V1100 HydrophobicContact CD1-CG1 4.36Å; L1045-V1100 HydrophobicContact CD1-CG2 4.43Å
1046H83.6Confident78.8Confident25 Ų2518.1 Ų18.112%0.11610%0.099CC..  trans-118.6117.2174.7-66.2-83.7000110.3T85 F88 K89 H92 D1044T85-H1046 WeakPolarHBondContact CA-O 3.38Å; T85-H1046 VanDerWaalsContact CB-O 3.24Å; T85-H1046 WeakPolarHBondContact CB-O 2.93Å; F88-H1046 HydrophobicContact CB-CB 3.85Å; K89-H1046 HydrophobicContact CB-CB 4.34Å; K89-H1046 WeakPolarHBondContact CD-CD2 3.31Å; H92-H1046 AromaticContact CD2-CE1 3.5Å; H92-H1046 AromaticContact CD2-ND1 3.8Å; H92-H1046 AromaticContact CE1-CE1 3.57Å; H92-H1046 AromaticContact CE1-ND1 3.05Å; H92-H1046 PolarHBondContact CE1-ND1 2.75Å; H92-H1046 AromaticContact CG-CE1 3.39Å; H92-H1046 AromaticContact CG-ND1 3.5Å; H92-H1046 AromaticContact ND1-CE1 3.48Å; H92-H1046 PolarHBondContact ND1-CE1 2.91Å; H92-H1046 AromaticContact ND1-CG 3.73Å; H92-H1046 AromaticContact ND1-ND1 3.05Å; H92-H1046 PolarHBondContact ND1-ND1 3.03Å; H92-H1046 AromaticContact NE2-CE1 3.64Å; H92-H1046 AromaticContact NE2-ND1 3.57Å; D1044-H1046 VanDerWaalsContact CG-NE2 3.33Å; D1044-H1046 PolarHBondContact O-CD2 2.83Å; D1044-H1046 IonicContact OD1-NE2 2.74Å; D1044-H1046 PolarHBondContact OD1-NE2 3.45Å; D1044-H1046 IonicContact OD2-CD2 3.9Å; D1044-H1046 IonicContact OD2-NE2 2.67Å; D1044-H1046 PolarHBondContact OD2-NE2 2.82Å
1047R81.6Confident78.5Confident31 Ų3118 Ų1812%0.11710%0.099CC..  trans-128.1147.8-162.3-72.6165.4175.7-123.7-34.5110.9T85 S1049 E1067 S1098T85-R1047 HydrophobicContact CG2-CG 4.44Å; R1047-S1049 PolarHBondContact O-N 3.04Å; R1047-E1067 IonicContact CZ-OE1 3.88Å; R1047-E1067 IonicContact CZ-OE2 3.97Å; R1047-E1067 IonicContact NH1-OE1 2.64Å; R1047-E1067 PolarHBondContact NH1-OE1 3.39Å; R1047-E1067 IonicContact NH1-OE2 3.51Å; R1047-E1067 PolarHBondContact NH1-OE2 2.81Å; R1047-E1067 VanDerWaalsContact NH2-CD 3.3Å; R1047-E1067 IonicContact NH2-OE1 3.5Å; R1047-E1067 PolarHBondContact NH2-OE1 3.33Å; R1047-E1067 IonicContact NH2-OE2 2.71Å; R1047-E1067 PolarHBondContact NH2-OE2 3.2Å; R1047-S1098 PolarHBondContact NH1-OG 2.86Å; R1047-S1098 PolarHBondContact NH2-OG 2.96Å
1048D81.8Confident78.1Confident1 Ų121.9 Ų21.91%0.00512%0.123CC..  trans-69.1106-178.8-164.5-20.3000109.4Y81 R84 F88 F138 V139 I1050 F1051Y81-D1048 HydrophobicContact CE2-CB 3.85Å; R84-D1048 IonicContact NH1-OD2 2.72Å; F88-D1048 HydrophobicContact CE2-CB 3.71Å; F88-D1048 HydrophobicContact CZ-CB 4.42Å; F138-D1048 WeakPolarHBondContact CA-OD1 3.43Å; F138-D1048 WeakPolarHBondContact CB-OD1 3.21Å; V139-D1048 PolarHBondContact N-OD1 2.74Å; D1048-I1050 HydrophobicContact CB-CG2 4.36Å; D1048-I1050 VanDerWaalsContact CG-CG2 3.49Å; D1048-I1050 PolarHBondContact O-N 2.87Å; D1048-I1050 WeakPolarHBondContact OD1-CB 3.34Å; D1048-I1050 WeakPolarHBondContact OD1-CG2 3.21Å; D1048-I1050 PolarHBondContact OD1-N 3.33Å; D1048-F1051 HydrophobicContact CB-CD2 3.86Å; D1048-F1051 HydrophobicContact CB-CE2 4.04Å; D1048-F1051 PolarHBondContact O-N 2.85Å; D1048-F1051 VanDerWaalsContact O-N 3.13Å
1049S78Confident77.6Confident33 Ų3324.3 Ų24.323%0.23114%0.139CC..G310 helixtrans-65.2-11.9-172.763.60000113.1F137 R1047 F1051 D1052F137-S1049 PolarHBondContact O-N 3.19Å; R1047-S1049 PolarHBondContact O-N 3.04Å; S1049-F1051 PolarHBondContact O-N 3.49Å; S1049-D1052 VanDerWaalsContact O-CB 3.29Å; S1049-D1052 WeakPolarHBondContact O-CB 3.19Å; S1049-D1052 PolarHBondContact O-N 3.23Å
1050I74.5Confident77Confident29 Ų2926 Ų2615%0.14915%0.148CC..G310 helixtrans-59.1-37.9173.9-154.3145.2000110F138 Y780 D1048 D1052F138-I1050 HydrophobicContact CB-CB 4.42Å; F138-I1050 HydrophobicContact CD2-CD1 4.37Å; Y780-I1050 HydrophobicContact CD1-CD1 4.29Å; Y780-I1050 HydrophobicContact CD1-CG1 3.52Å; Y780-I1050 HydrophobicContact CE1-CB 4.01Å; Y780-I1050 HydrophobicContact CE1-CD1 4.17Å; Y780-I1050 HydrophobicContact CE1-CG1 3.08Å; Y780-I1050 HydrophobicContact CE1-CG2 4.44Å; Y780-I1050 WeakPolarHBondContact CE1-O 3.29Å; Y780-I1050 PolarHBondContact OH-O 3.38Å; D1048-I1050 HydrophobicContact CB-CG2 4.36Å; D1048-I1050 VanDerWaalsContact CG-CG2 3.49Å; D1048-I1050 PolarHBondContact O-N 2.87Å; D1048-I1050 WeakPolarHBondContact OD1-CB 3.34Å; D1048-I1050 WeakPolarHBondContact OD1-CG2 3.21Å; D1048-I1050 PolarHBondContact OD1-N 3.33Å; I1050-D1052 VanDerWaalsContact C-N 3.29Å; I1050-D1052 PolarHBondContact O-N 3.39Å
1051F77.8Confident76.7Confident32 Ų3229 Ų2914%0.1416%0.162CC..G310 helixtrans-84.55.2-178.8-56.6-81.5000114.1Y81 D1048 S1049 S1053 C1054 C1095 G1096Y81-F1051 HydrophobicContact CD2-CD2 4.16Å; Y81-F1051 AromaticContact CD2-CE2 3.81Å; Y81-F1051 HydrophobicContact CD2-CE2 3.81Å; Y81-F1051 AromaticContact CE2-CD2 3.61Å; Y81-F1051 HydrophobicContact CE2-CD2 3.61Å; Y81-F1051 AromaticContact CE2-CE2 3.75Å; Y81-F1051 HydrophobicContact CE2-CE2 3.75Å; D1048-F1051 HydrophobicContact CB-CD2 3.86Å; D1048-F1051 HydrophobicContact CB-CE2 4.04Å; D1048-F1051 PolarHBondContact O-N 2.85Å; D1048-F1051 VanDerWaalsContact O-N 3.13Å; S1049-F1051 PolarHBondContact O-N 3.49Å; F1051-S1053 PolarHBondContact O-N 3.09Å; F1051-S1053 VanDerWaalsContact O-N 3.14Å; F1051-C1054 WeakPolarHBondContact O-CB 3.4Å; F1051-C1054 PolarHBondContact O-N 2.91Å; F1051-C1095 WeakPolarHBondContact CD1-O 3.48Å; F1051-C1095 WeakPolarHBondContact CE1-O 3.4Å; F1051-G1096 WeakPolarHBondContact CB-O 3.37Å
1052D77Confident76.9Confident26 Ų2632 Ų3214%0.13918%0.178CC..G310 helixtrans-60.4-25.5179.7-82.9-6.4000112.5S1049 I1050 R1101 L1105 R1763S1049-D1052 VanDerWaalsContact O-CB 3.29Å; S1049-D1052 WeakPolarHBondContact O-CB 3.19Å; S1049-D1052 PolarHBondContact O-N 3.23Å; I1050-D1052 VanDerWaalsContact C-N 3.29Å; I1050-D1052 PolarHBondContact O-N 3.39Å; D1052-R1101 WeakPolarHBondContact OD1-CG 3.17Å; D1052-R1101 IonicContact OD1-CZ 3.82Å; D1052-R1101 IonicContact OD1-NE 3.42Å; D1052-R1101 PolarHBondContact OD1-NE 2.75Å; D1052-R1101 IonicContact OD1-NH2 3.36Å; D1052-R1101 IonicContact OD2-CZ 3.6Å; D1052-R1101 IonicContact OD2-NE 2.68Å; D1052-R1101 PolarHBondContact OD2-NE 3.2Å; D1052-R1101 IonicContact OD2-NH2 3.14Å; D1052-R1101 PolarHBondContact OD2-NH2 3.26Å; D1052-L1105 HydrophobicContact CB-CD1 3.61Å; D1052-L1105 WeakPolarHBondContact O-CD1 3.38Å; D1052-R1763 PolarHBondContact O-NH1 2.92Å; D1052-R1763 PolarHBondContact O-NH2 2.74Å
1053S71.7Confident77.6Confident23 Ų2332.4 Ų32.416%0.16118%0.18CC..G310 helixtrans-88.1-0.6178-66.40000114.2F1051 P1055 E1816F1051-S1053 PolarHBondContact O-N 3.09Å; F1051-S1053 VanDerWaalsContact O-N 3.14Å; S1053-P1055 VanDerWaalsContact O-CD 3.24Å; S1053-P1055 WeakPolarHBondContact O-CD 3.29Å; S1053-E1816 PolarHBondContact OG-OE1 2.72Å
1054C77.5Confident77.8Confident38 Ų3837.4 Ų37.426%0.25720%0.198SC..  trans-81114.7178.6-64.30000110.7F1051 L1056 F1097F1051-C1054 WeakPolarHBondContact O-CB 3.4Å; F1051-C1054 PolarHBondContact O-N 2.91Å; C1054-L1056 VanDerWaalsContact C-N 3.34Å; C1054-F1097 HydrophobicContact CB-CD2 4.18Å; C1054-F1097 WeakPolarHBondContact O-CD2 3.37Å; C1054-F1097 WeakPolarHBondContact O-CE2 3.33Å
1055P80.3Confident77.1Confident17 Ų1736.8 Ų36.811%0.1120%0.195CC..  trans-84.8-7.6179.834.9-35.7000113.3S1053 H1102 L1764 L1769S1053-P1055 VanDerWaalsContact O-CD 3.24Å; S1053-P1055 WeakPolarHBondContact O-CD 3.29Å; P1055-H1102 PolarHBondContact O-CE1 3.45Å; P1055-H1102 PolarHBondContact O-NE2 3.05Å; P1055-L1764 WeakPolarHBondContact CB-O 3.43Å; P1055-L1769 HydrophobicContact CG-CD2 3.76Å
1056L81.5Confident76.4Confident14 Ų1436.9 Ų36.97%0.07320%0.195CC..SBendtrans-151.8141.3-168.9-140.4144.6000111.4C1054 V1058 M1061 I1063 F1097 H1766C1054-L1056 VanDerWaalsContact C-N 3.34Å; L1056-V1058 PolarHBondContact O-N 2.96Å; L1056-M1061 HydrophobicContact CD2-CB 4.22Å; L1056-M1061 HydrophobicContact CD2-CE 4.18Å; L1056-M1061 HydrophobicContact CD2-SD 3.96Å; L1056-I1063 HydrophobicContact CG-CG2 4.24Å; L1056-F1097 VanDerWaalsContact C-CD2 3.42Å; L1056-H1766 HydrophobicContact CD1-CB 3.7Å; L1056-H1766 HydrophobicContact CG-CB 4.45Å
1057C81.2Confident75.4Confident0 Ų036.9 Ų36.90%020%0.195CC..BIsolated β-bridgetrans-70.8121.7173.71800000110.7C1059 M1061 N1062 F1097C1057-C1059 PolarHBondContact O-N 2.78Å; C1057-M1061 WeakPolarHBondContact O-CA 3.43Å; C1057-M1061 WeakPolarHBondContact O-CE 3.43Å; C1057-M1061 PolarHBondContact O-N 3.32Å; C1057-N1062 WeakPolarHBondContact CB-O 3.25Å; C1057-N1062 PolarHBondContact N-O 3.12Å; C1057-N1062 VanDerWaalsContact N-O 3.08Å; C1057-F1097 HydrophobicContact CB-CB 4.06Å; C1057-F1097 HydrophobicContact CB-CD1 3.51Å; C1057-F1097 HydrophobicContact CB-CE1 4.12Å; C1057-F1097 HydrophobicContact CB-CG 3.87Å
1058V77.8Confident74.5Confident83 Ų8336.8 Ų36.850%0.50320%0.197SC..THydrogen-bonded Turntrans-66.1-38177.3-179.30000112L1056 N1060 M1061 C1095L1056-V1058 PolarHBondContact O-N 2.96Å; V1058-N1060 PolarHBondContact O-N 2.92Å; V1058-M1061 HydrophobicContact CB-CE 4.3Å; V1058-M1061 HydrophobicContact CG1-CE 4.33Å; V1058-M1061 WeakPolarHBondContact O-CE 3.49Å; V1058-C1095 HydrophobicContact CB-CB 3.93Å; V1058-C1095 HydrophobicContact CG2-CB 4.48Å; V1058-C1095 PolarHBondContact N-SG 3.41Å
1059C75.4Confident73.3Confident51 Ų5137.8 Ų37.835%0.34521%0.207SC..THydrogen-bonded Turntrans-67.3-36.1-176.3-54.40000113.5C1057 T1094 C1095C1057-C1059 PolarHBondContact O-N 2.78Å; C1059-T1094 PolarHBondContact SG-N 2.79Å; C1059-T1094 VanDerWaalsContact SG-N 3.43Å; C1059-C1095 VanDerWaalsContact SG-CB 3.58Å; C1059-C1095 PolarHBondContact SG-N 3.15Å
1060N73.5Confident72.4Confident45 Ų4538.6 Ų38.624%0.24121%0.206CC..THydrogen-bonded Turntrans-121.61.5-169.4-65.1-16.3000113V1058 N1062 N1091V1058-N1060 PolarHBondContact O-N 2.92Å; N1060-N1062 HydrophobicContact CB-CB 4.4Å; N1060-N1062 PolarHBondContact O-N 3.13Å; N1060-N1091 PolarHBondContact ND2-O 2.85Å; N1060-N1091 VanDerWaalsContact OD1-CB 3.31Å; N1060-N1091 WeakPolarHBondContact OD1-CB 3.13Å
1061M75.1Confident71.7Confident63 Ų6338.8 Ų38.831%0.3121%0.205SC..THydrogen-bonded Turntrans4638.2-173.9-71.5-66.610700113.6L1056 C1057 V1058 L1905L1056-M1061 HydrophobicContact CD2-CB 4.22Å; L1056-M1061 HydrophobicContact CD2-CE 4.18Å; L1056-M1061 HydrophobicContact CD2-SD 3.96Å; C1057-M1061 WeakPolarHBondContact O-CA 3.43Å; C1057-M1061 WeakPolarHBondContact O-CE 3.43Å; C1057-M1061 PolarHBondContact O-N 3.32Å; V1058-M1061 HydrophobicContact CB-CE 4.3Å; V1058-M1061 HydrophobicContact CG1-CE 4.33Å; V1058-M1061 WeakPolarHBondContact O-CE 3.49Å; M1061-L1905 HydrophobicContact SD-CB 4.42Å; M1061-L1905 HydrophobicContact SD-CD1 3.86Å
1062N77Confident70.7Confident67 Ų6737.6 Ų37.636%0.35820%0.201SC..BIsolated β-bridgetrans-133.7143.6-174.5-166.1-13.9000111.7C1057 N1060 R1064C1057-N1062 WeakPolarHBondContact CB-O 3.25Å; C1057-N1062 PolarHBondContact N-O 3.12Å; C1057-N1062 VanDerWaalsContact N-O 3.08Å; N1060-N1062 HydrophobicContact CB-CB 4.4Å; N1060-N1062 PolarHBondContact O-N 3.13Å; N1062-R1064 PolarHBondContact OD1-N 3.43Å
1063I80.4Confident69.6Low19 Ų1938.8 Ų38.810%0.09721%0.207CC..SBendtrans-79.9-24.9172.468.2179.9000112.7L1056 G1065 F1097 A1099 D1118 H1766L1056-I1063 HydrophobicContact CG-CG2 4.24Å; I1063-G1065 VanDerWaalsContact C-N 3.34Å; I1063-G1065 PolarHBondContact O-N 2.83Å; I1063-F1097 WeakPolarHBondContact O-CE1 3.25Å; I1063-F1097 WeakPolarHBondContact O-CZ 3.32Å; I1063-A1099 WeakPolarHBondContact O-CB 3.45Å; I1063-D1118 HydrophobicContact CD1-CB 3.94Å; I1063-H1766 HydrophobicContact CG2-CB 3.38Å
1064R72.9Confident68.5Low127 Ų12742.1 Ų42.148%0.47923%0.228SC..SBendtrans-91.877.1174.2-58.3-168.3179171.72.4107.1N1062 W1089N1062-R1064 PolarHBondContact OD1-N 3.43Å; R1064-W1089 HydrophobicContact CB-CH2 4.15Å; R1064-W1089 HydrophobicContact CB-CZ3 4.38Å; R1064-W1089 WeakPolarHBondContact O-CZ3 3.35Å
1065G64.7Low66.9Low1 Ų145.1 Ų45.11%0.0125%0.245CC..  trans-57.2162172.500000111.7I1063 E1067 M1068I1063-G1065 VanDerWaalsContact C-N 3.34Å; I1063-G1065 PolarHBondContact O-N 2.83Å; G1065-E1067 PolarHBondContact O-N 3.47Å; G1065-M1068 PolarHBondContact O-N 2.87Å
1066L60.8Low65.2Low49 Ų4952.1 Ų52.126%0.25727%0.274SS..THydrogen-bonded Turntrans-49-39-178.2-161.9130.2000111.9M1068 F1070 W1089 N1091L1066-M1068 PolarHBondContact O-N 3.35Å; L1066-F1070 HydrophobicContact CD2-CD2 4.38Å; L1066-F1070 HydrophobicContact CD2-CE2 3.53Å; L1066-F1070 HydrophobicContact CD2-CZ 4.18Å; L1066-F1070 HydrophobicContact CG-CE2 4.16Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.2Å; L1066-F1070 WeakPolarHBondContact O-CE2 3.35Å; L1066-W1089 WeakPolarHBondContact CD1-O 3.36Å; L1066-N1091 WeakPolarHBondContact CD1-O 3.17Å
1067E63.1Low63.2Low25 Ų2559 Ų5912%0.11730%0.303CS..THydrogen-bonded Turntrans-64.4-21.6-179.352.4162.5-12100117.5R1047 G1065 G1069 F1070 Y1071 S1098 A1099 V1100R1047-E1067 IonicContact CZ-OE1 3.88Å; R1047-E1067 IonicContact CZ-OE2 3.97Å; R1047-E1067 IonicContact NH1-OE1 2.64Å; R1047-E1067 PolarHBondContact NH1-OE1 3.39Å; R1047-E1067 IonicContact NH1-OE2 3.51Å; R1047-E1067 PolarHBondContact NH1-OE2 2.81Å; R1047-E1067 VanDerWaalsContact NH2-CD 3.3Å; R1047-E1067 IonicContact NH2-OE1 3.5Å; R1047-E1067 PolarHBondContact NH2-OE1 3.33Å; R1047-E1067 IonicContact NH2-OE2 2.71Å; R1047-E1067 PolarHBondContact NH2-OE2 3.2Å; G1065-E1067 PolarHBondContact O-N 3.47Å; E1067-G1069 VanDerWaalsContact C-N 3.33Å; E1067-G1069 PolarHBondContact O-N 2.77Å; E1067-F1070 WeakPolarHBondContact O-CB 3.08Å; E1067-F1070 PolarHBondContact O-N 3.14Å; E1067-Y1071 HydrophobicContact CB-CD2 3.53Å; E1067-Y1071 HydrophobicContact CB-CE2 3.29Å; E1067-Y1071 HydrophobicContact CG-CD2 4.37Å; E1067-Y1071 HydrophobicContact CG-CE2 4.26Å; E1067-Y1071 WeakPolarHBondContact O-CD2 3.39Å; E1067-Y1071 PolarHBondContact O-N 3.48Å; E1067-Y1071 VanDerWaalsContact O-N 3.15Å; E1067-S1098 WeakPolarHBondContact OE1-CA 3.49Å; E1067-S1098 WeakPolarHBondContact OE1-CB 3.32Å; E1067-S1098 PolarHBondContact OE1-OG 2.68Å; E1067-S1098 PolarHBondContact OE2-OG 3.44Å; E1067-A1099 HydrophobicContact CG-CB 4.06Å; E1067-A1099 PolarHBondContact OE1-N 2.91Å; E1067-V1100 PolarHBondContact OE1-N 3.41Å; E1067-V1100 VanDerWaalsContact OE1-N 3.16Å
1068M62.6Low60.8Low30 Ų3066.6 Ų66.615%0.14834%0.344CS..Hα-helixtrans-60.6-42.7-170.7-173.963.5-171.700111.9G1065 L1066 F1070 V1072 A1099G1065-M1068 PolarHBondContact O-N 2.87Å; L1066-M1068 PolarHBondContact O-N 3.35Å; M1068-F1070 VanDerWaalsContact C-N 3.26Å; M1068-F1070 PolarHBondContact O-N 3.3Å; M1068-V1072 HydrophobicContact CE-CB 3.71Å; M1068-V1072 HydrophobicContact CE-CG1 3.77Å; M1068-V1072 HydrophobicContact CE-CG2 4.11Å; M1068-V1072 PolarHBondContact O-N 2.9Å; M1068-V1072 HydrophobicContact SD-CB 4.12Å; M1068-V1072 HydrophobicContact SD-CG2 4.17Å; M1068-A1099 HydrophobicContact CB-CB 3.95Å; M1068-A1099 HydrophobicContact SD-CB 4.36Å
1069G57.7Low58.9Low21 Ų2167.2 Ų67.222%0.21634%0.344CS..Hα-helixtrans-73-14176.600000114.7E1067E1067-G1069 VanDerWaalsContact C-N 3.33Å; E1067-G1069 PolarHBondContact O-N 2.77Å
1070F57.7Low56.9Low50 Ų5074.2 Ų74.222%0.21937%0.372CS..Hα-helixtrans-91-22.9177.8-63.7-82.8000113.4P31 P32 I39 F1042 L1066 E1067 M1068P31-F1070 HydrophobicContact CB-CD1 4.1Å; P31-F1070 HydrophobicContact CB-CE1 3.8Å; P32-F1070 HydrophobicContact CG-CD1 4.48Å; P32-F1070 HydrophobicContact CG-CE1 4.15Å; I39-F1070 WeakPolarHBondContact CD1-O 3.4Å; I39-F1070 WeakPolarHBondContact CG1-O 3.14Å; F1042-F1070 HydrophobicContact CD1-CB 4.45Å; F1042-F1070 HydrophobicContact CE1-CB 4.16Å; L1066-F1070 HydrophobicContact CD2-CD2 4.38Å; L1066-F1070 HydrophobicContact CD2-CE2 3.53Å; L1066-F1070 HydrophobicContact CD2-CZ 4.18Å; L1066-F1070 HydrophobicContact CG-CE2 4.16Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.2Å; L1066-F1070 WeakPolarHBondContact O-CE2 3.35Å; E1067-F1070 WeakPolarHBondContact O-CB 3.08Å; E1067-F1070 PolarHBondContact O-N 3.14Å; M1068-F1070 VanDerWaalsContact C-N 3.26Å; M1068-F1070 PolarHBondContact O-N 3.3Å
1071Y59.6Low54.9Low33 Ų3375.7 Ų75.713%0.12940%0.397CS..Hα-helixtrans-115.8-24.9-174.8-59.7-51.1000113.5F1042 L1045 E1067 V1100F1042-Y1071 HydrophobicContact CB-CD1 4.34Å; F1042-Y1071 HydrophobicContact CB-CE1 4.37Å; F1042-Y1071 AromaticContact CD1-CD1 3.73Å; F1042-Y1071 HydrophobicContact CD1-CD1 3.73Å; F1042-Y1071 AromaticContact CD1-CE1 3.36Å; F1042-Y1071 HydrophobicContact CD1-CE1 3.36Å; F1042-Y1071 HydrophobicContact CE1-CE1 4.02Å; F1042-Y1071 HydrophobicContact CG-CE1 4.23Å; F1042-Y1071 VanDerWaalsContact O-CD1 3.25Å; F1042-Y1071 WeakPolarHBondContact O-CD1 3.36Å; L1045-Y1071 HydrophobicContact CD1-CD1 3.79Å; L1045-Y1071 HydrophobicContact CD1-CD2 4.02Å; L1045-Y1071 HydrophobicContact CD1-CE1 4.26Å; L1045-Y1071 HydrophobicContact CD1-CE2 4.45Å; L1045-Y1071 HydrophobicContact CD1-CG 3.68Å; L1045-Y1071 HydrophobicContact CD2-CD1 3.84Å; L1045-Y1071 HydrophobicContact CD2-CD2 4.44Å; L1045-Y1071 HydrophobicContact CD2-CE1 3.43Å; L1045-Y1071 VanDerWaalsContact CD2-CE1 3.43Å; L1045-Y1071 HydrophobicContact CD2-CE2 4.08Å; L1045-Y1071 HydrophobicContact CD2-CG 4.35Å; L1045-Y1071 HydrophobicContact CG-CD1 4.23Å; L1045-Y1071 HydrophobicContact CG-CE1 4.3Å; E1067-Y1071 HydrophobicContact CB-CD2 3.53Å; E1067-Y1071 HydrophobicContact CB-CE2 3.29Å; E1067-Y1071 HydrophobicContact CG-CD2 4.37Å; E1067-Y1071 HydrophobicContact CG-CE2 4.26Å; E1067-Y1071 WeakPolarHBondContact O-CD2 3.39Å; E1067-Y1071 PolarHBondContact O-N 3.48Å; E1067-Y1071 VanDerWaalsContact O-N 3.15Å; Y1071-V1100 VanDerWaalsContact CB-CG2 3.48Å; Y1071-V1100 HydrophobicContact CD2-CG2 3.57Å; Y1071-V1100 HydrophobicContact CG-CG2 3.94Å
1072V56.4Low52.9Low8 Ų877.1 Ų77.15%0.04841%0.413CS..SBendtrans-131.4122.3-178.5-176.20000108.5M1068 P1074 V1100M1068-V1072 HydrophobicContact CE-CB 3.71Å; M1068-V1072 HydrophobicContact CE-CG1 3.77Å; M1068-V1072 HydrophobicContact CE-CG2 4.11Å; M1068-V1072 PolarHBondContact O-N 2.9Å; M1068-V1072 HydrophobicContact SD-CB 4.12Å; M1068-V1072 HydrophobicContact SD-CG2 4.17Å; V1072-P1074 WeakPolarHBondContact O-CD 3.4Å; V1072-V1100 HydrophobicContact CG2-CG1 4.08Å; V1072-V1100 HydrophobicContact CG2-CG2 4.16Å
1073N54Low50.8Low51 Ų5180.1 Ų80.127%0.27343%0.426SS..  trans-77.6110.9175.8-133.8-24.8000107.1V1075N1073-V1075 HydrophobicContact CB-CG2 4.07Å; N1073-V1075 PolarHBondContact O-N 2.86Å
1074P48.9Very low48.5Very low93 Ų9384.7 Ų84.760%0.60446%0.46SS*.  trans-74.273.6-179.331.5-33.5000109.2V1072V1072-P1074 WeakPolarHBondContact O-CD 3.4Å
1075V43.9Very low46.8Very low100 Ų10080.3 Ų80.361%0.60645%0.451SS*.  trans-86.6123175.6-175.20000106.9N1073N1073-V1075 HydrophobicContact CB-CG2 4.07Å; N1073-V1075 PolarHBondContact O-N 2.86Å
1076K44.9Very low45.5Very low164 Ų16485.1 Ų85.171%0.71348%0.484SS*.  trans104.261.3175.3-55.3170.1-172.6174.10116.1
1077K39Very low44.4Very low160 Ų16086.5 Ų86.570%0.69650%0.498SS*.  trans-143.8127.7132.2-106174.6-173.4175.40108.6D1079K1077-D1079 PolarHBondContact O-N 3.3Å
1078N32.3Very low43.3Very low158 Ų15892.8 Ų92.885%0.84553%0.527SS*.  trans-74.740.3177.4-141.116.6000110.4Q1080N1078-Q1080 PolarHBondContact O-N 3.38Å; N1078-Q1080 VanDerWaalsContact O-N 3.16Å
1079D37.1Very low42.4Very low97 Ų9796.2 Ų96.252%0.51954%0.538SS..  trans-87.883.8179.1-75.5-24000108.3K1077 G1081K1077-D1079 PolarHBondContact O-N 3.3Å; D1079-G1081 PolarHBondContact O-N 3.23Å
1080Q33.7Very low41.8Very low198 Ų198100.2 Ų100.293%0.92556%0.559SS**THydrogen-bonded Turntrans-61.311.2160.2-74.5179.5-8.200112.8N1078N1078-Q1080 PolarHBondContact O-N 3.38Å; N1078-Q1080 VanDerWaalsContact O-N 3.16Å
1081G31.3Very low41.5Very low75 Ų75102.5 Ų102.577%0.77357%0.573SS**THydrogen-bonded Turntrans-119.9-0.2-174.700000116.8D1079D1079-G1081 PolarHBondContact O-N 3.23Å
1082C33.7Very low41.6Very low94 Ų94107.4 Ų107.464%0.63560%0.595SS**SBendtrans-129.926.9-177.5-156.80000114.4
1083M32.2Very low42.1Very low130 Ų130108.7 Ų108.764%0.6460%0.604SS**  trans-99.410.6176-69.8-10073.400114.1A1085M1083-A1085 PolarHBondContact O-N 3.45Å
1084S32.7Very low42.9Very low115 Ų115109.9 Ų109.980%0.80461%0.613SS**  trans-81.416.2168.4-76.10000114S1086S1084-S1086 PolarHBondContact O-N 2.82Å
1085A37.2Very low44.1Very low35 Ų35106 Ų10629%0.28959%0.589SS.*G310 helixtrans-8313173.800000113.4M1083 S1087 H1088 W1089M1083-A1085 PolarHBondContact O-N 3.45Å; A1085-S1087 PolarHBondContact O-N 2.68Å; A1085-H1088 PolarHBondContact O-N 3.42Å; A1085-W1089 PolarHBondContact O-NE1 2.95Å
1086S37.5Very low45.7Very low102 Ų102101.3 Ų101.371%0.71356%0.56SS**G310 helixtrans-63.6-10-178.7690000114.1S1084S1084-S1086 PolarHBondContact O-N 2.82Å
1087S37.9Very low47.4Very low77 Ų7793.8 Ų93.854%0.53853%0.527SS..G310 helixtrans-96.3-12-178.747.60000116A1085A1085-S1087 PolarHBondContact O-N 2.68Å
1088H38.1Very low49.3Very low158 Ų15886.5 Ų86.573%0.73150%0.497SS*.THydrogen-bonded Turntrans-111.6-1.9-175-87.5-85.5000116.1A1085 T1090A1085-H1088 PolarHBondContact O-N 3.42Å; H1088-T1090 PolarHBondContact O-N 3.28Å
1089W44.3Very low51.6Low102 Ų10279.1 Ų79.139%0.38646%0.458SS..THydrogen-bonded Turntrans-83.520173.9-49.886.9000112.7R1064 L1066 A1085R1064-W1089 HydrophobicContact CB-CH2 4.15Å; R1064-W1089 HydrophobicContact CB-CZ3 4.38Å; R1064-W1089 WeakPolarHBondContact O-CZ3 3.35Å; L1066-W1089 WeakPolarHBondContact CD1-O 3.36Å; A1085-W1089 PolarHBondContact O-NE1 2.95Å
1090T45Very low53.5Low105 Ų10575.6 Ų75.664%0.64444%0.439SS*.THydrogen-bonded Turntrans-88-13.4-168.647.30000114.2H1088H1088-T1090 PolarHBondContact O-N 3.28Å
1091N51.3Low55.8Low98 Ų9869.4 Ų69.452%0.52441%0.408SS..SBendtrans-92.6115.4-178.8-68.8-15.1000111.4N1060 L1066 C1093N1060-N1091 PolarHBondContact ND2-O 2.85Å; N1060-N1091 VanDerWaalsContact OD1-CB 3.31Å; N1060-N1091 WeakPolarHBondContact OD1-CB 3.13Å; L1066-N1091 WeakPolarHBondContact CD1-O 3.17Å; N1091-C1093 PolarHBondContact O-N 3.19Å
1092K61.4Low58.3Low135 Ų13566.4 Ų66.459%0.58737%0.373SS*.  trans-58.4118.7176.1-154.3-176.1-176.2-161.50109E80E80-K1092 IonicContact OE2-NZ 3.31Å
1093C67.1Low60.7Low35 Ų3562.9 Ų62.924%0.23635%0.347CS..  trans-74.6125177.61790000110.3N1091N1091-C1093 PolarHBondContact O-N 3.19Å
1094T72.3Confident63.1Low77 Ų7758.7 Ų58.747%0.47232%0.324SS..  trans-119.8-2.8176.2570000113.5C1059 G1096C1059-T1094 PolarHBondContact SG-N 2.79Å; C1059-T1094 VanDerWaalsContact SG-N 3.43Å; T1094-G1096 VanDerWaalsContact C-N 3.27Å; T1094-G1096 PolarHBondContact O-N 3.32Å
1095C74.2Confident65.4Low12 Ų1254.4 Ų54.48%0.08129%0.292CS..SBendtrans-79.4-0.4-176.2700000115.4F1051 V1058 C1059 F1097F1051-C1095 WeakPolarHBondContact CD1-O 3.48Å; F1051-C1095 WeakPolarHBondContact CE1-O 3.4Å; V1058-C1095 HydrophobicContact CB-CB 3.93Å; V1058-C1095 HydrophobicContact CG2-CB 4.48Å; V1058-C1095 PolarHBondContact N-SG 3.41Å; C1059-C1095 VanDerWaalsContact SG-CB 3.58Å; C1059-C1095 PolarHBondContact SG-N 3.15Å; C1095-F1097 PolarHBondContact O-N 3.21Å; C1095-F1097 VanDerWaalsContact SG-CB 3.6Å
1096G75.8Confident67.6Low0 Ų052.9 Ų52.90%028%0.279CS..  trans750.4-179.200000115.8Y81 F1051 T1094 S1098Y81-G1096 WeakPolarHBondContact CE2-O 3.37Å; Y81-G1096 VanDerWaalsContact CZ-O 3.25Å; Y81-G1096 PolarHBondContact OH-O 2.87Å; F1051-G1096 WeakPolarHBondContact CB-O 3.37Å; T1094-G1096 VanDerWaalsContact C-N 3.27Å; T1094-G1096 PolarHBondContact O-N 3.32Å; G1096-S1098 PolarHBondContact O-N 3.22Å
1097F81.3Confident69.6Low6 Ų650.1 Ų50.13%0.02625%0.254CS..  trans-65.5133.3170.6174.7-94.3000110.9C1054 L1056 C1057 I1063 C1095 A1099 H1102C1054-F1097 HydrophobicContact CB-CD2 4.18Å; C1054-F1097 WeakPolarHBondContact O-CD2 3.37Å; C1054-F1097 WeakPolarHBondContact O-CE2 3.33Å; L1056-F1097 VanDerWaalsContact C-CD2 3.42Å; C1057-F1097 HydrophobicContact CB-CB 4.06Å; C1057-F1097 HydrophobicContact CB-CD1 3.51Å; C1057-F1097 HydrophobicContact CB-CE1 4.12Å; C1057-F1097 HydrophobicContact CB-CG 3.87Å; I1063-F1097 WeakPolarHBondContact O-CE1 3.25Å; I1063-F1097 WeakPolarHBondContact O-CZ 3.32Å; C1095-F1097 PolarHBondContact O-N 3.21Å; C1095-F1097 VanDerWaalsContact SG-CB 3.6Å; F1097-A1099 HydrophobicContact CE1-CB 4.03Å; F1097-H1102 HydrophobicContact CE2-CB 3.77Å; F1097-H1102 AromaticContact CE2-CG 3.94Å; F1097-H1102 HydrophobicContact CZ-CB 3.75Å; F1097-H1102 AromaticContact CZ-CG 3.96Å
1098S79.6Confident71.4Confident8 Ų851 Ų516%0.05625%0.251CS..  trans-130.397.7-172.9-111.60000110Y81 R1047 E1067 G1096 V1100 R1101 H1102Y81-S1098 PolarHBondContact OH-OG 3.25Å; R1047-S1098 PolarHBondContact NH1-OG 2.86Å; R1047-S1098 PolarHBondContact NH2-OG 2.96Å; E1067-S1098 WeakPolarHBondContact OE1-CA 3.49Å; E1067-S1098 WeakPolarHBondContact OE1-CB 3.32Å; E1067-S1098 PolarHBondContact OE1-OG 2.68Å; E1067-S1098 PolarHBondContact OE2-OG 3.44Å; G1096-S1098 PolarHBondContact O-N 3.22Å; S1098-V1100 VanDerWaalsContact C-N 3.27Å; S1098-V1100 PolarHBondContact O-N 2.91Å; S1098-R1101 CarbonylContact O-C 3.46Å; S1098-R1101 WeakPolarHBondContact O-CA 3.29Å; S1098-R1101 VanDerWaalsContact O-CB 3.31Å; S1098-R1101 WeakPolarHBondContact O-CB 3.05Å; S1098-R1101 PolarHBondContact O-N 3.01Å; S1098-H1102 PolarHBondContact O-N 3.23Å
1099A79.9Confident73.1Confident3 Ų345.2 Ų45.23%0.02523%0.227CC..Hα-helixtrans-48.7-39.6-17800000114.4I1063 E1067 M1068 F1097 R1101 H1102 R1103I1063-A1099 WeakPolarHBondContact O-CB 3.45Å; E1067-A1099 HydrophobicContact CG-CB 4.06Å; E1067-A1099 PolarHBondContact OE1-N 2.91Å; M1068-A1099 HydrophobicContact CB-CB 3.95Å; M1068-A1099 HydrophobicContact SD-CB 4.36Å; F1097-A1099 HydrophobicContact CE1-CB 4.03Å; A1099-R1101 VanDerWaalsContact C-N 3.3Å; A1099-R1101 PolarHBondContact O-N 3.1Å; A1099-H1102 PolarHBondContact O-N 2.76Å; A1099-R1103 WeakPolarHBondContact O-CB 3.45Å; A1099-R1103 PolarHBondContact O-N 2.93Å
1100V78.3Confident74.6Confident23 Ų2341.6 Ų41.614%0.13922%0.222CC..Hα-helixtrans-65.5-38.1176.7-1730000110.9L1045 E1067 Y1071 V1072 S1098 R1103 Y1104L1045-V1100 HydrophobicContact CD1-CG1 4.36Å; L1045-V1100 HydrophobicContact CD1-CG2 4.43Å; E1067-V1100 PolarHBondContact OE1-N 3.41Å; E1067-V1100 VanDerWaalsContact OE1-N 3.16Å; Y1071-V1100 VanDerWaalsContact CB-CG2 3.48Å; Y1071-V1100 HydrophobicContact CD2-CG2 3.57Å; Y1071-V1100 HydrophobicContact CG-CG2 3.94Å; V1072-V1100 HydrophobicContact CG2-CG1 4.08Å; V1072-V1100 HydrophobicContact CG2-CG2 4.16Å; S1098-V1100 VanDerWaalsContact C-N 3.27Å; S1098-V1100 PolarHBondContact O-N 2.91Å; V1100-R1103 WeakPolarHBondContact O-CB 3.35Å; V1100-Y1104 PolarHBondContact O-N 2.88Å
1101R81.8Confident76.4Confident68 Ų6836.7 Ų36.726%0.25719%0.192SC..Hα-helixtrans-73-41.3179.3-170.758.5173.7160.64.5110.7D1052 S1098 A1099 Y1104 L1105D1052-R1101 WeakPolarHBondContact OD1-CG 3.17Å; D1052-R1101 IonicContact OD1-CZ 3.82Å; D1052-R1101 IonicContact OD1-NE 3.42Å; D1052-R1101 PolarHBondContact OD1-NE 2.75Å; D1052-R1101 IonicContact OD1-NH2 3.36Å; D1052-R1101 IonicContact OD2-CZ 3.6Å; D1052-R1101 IonicContact OD2-NE 2.68Å; D1052-R1101 PolarHBondContact OD2-NE 3.2Å; D1052-R1101 IonicContact OD2-NH2 3.14Å; D1052-R1101 PolarHBondContact OD2-NH2 3.26Å; S1098-R1101 CarbonylContact O-C 3.46Å; S1098-R1101 WeakPolarHBondContact O-CA 3.29Å; S1098-R1101 VanDerWaalsContact O-CB 3.31Å; S1098-R1101 WeakPolarHBondContact O-CB 3.05Å; S1098-R1101 PolarHBondContact O-N 3.01Å; A1099-R1101 VanDerWaalsContact C-N 3.3Å; A1099-R1101 PolarHBondContact O-N 3.1Å; R1101-Y1104 PolarHBondContact O-N 2.9Å; R1101-L1105 HydrophobicContact CG-CD1 3.77Å; R1101-L1105 HydrophobicContact CG-CG 4.38Å; R1101-L1105 WeakPolarHBondContact O-CB 3.16Å; R1101-L1105 VanDerWaalsContact O-CG 3.25Å; R1101-L1105 WeakPolarHBondContact O-CG 3.48Å; R1101-L1105 PolarHBondContact O-N 3.08Å
1102H83.7Confident78.1Confident12 Ų1232 Ų326%0.05617%0.167CC..Hα-helixtrans-57.5-51.4171.4179.8-122.7000111.2P1055 F1097 S1098 A1099 Y1104 L1105 S1106P1055-H1102 PolarHBondContact O-CE1 3.45Å; P1055-H1102 PolarHBondContact O-NE2 3.05Å; F1097-H1102 HydrophobicContact CE2-CB 3.77Å; F1097-H1102 AromaticContact CE2-CG 3.94Å; F1097-H1102 HydrophobicContact CZ-CB 3.75Å; F1097-H1102 AromaticContact CZ-CG 3.96Å; S1098-H1102 PolarHBondContact O-N 3.23Å; A1099-H1102 PolarHBondContact O-N 2.76Å; H1102-Y1104 VanDerWaalsContact C-N 3.33Å; H1102-Y1104 PolarHBondContact O-N 3.49Å; H1102-L1105 PolarHBondContact O-N 2.92Å; H1102-L1105 VanDerWaalsContact O-N 3.12Å; H1102-S1106 PolarHBondContact NE2-OG 3.16Å; H1102-S1106 WeakPolarHBondContact O-CB 3.37Å; H1102-S1106 PolarHBondContact O-N 3.4Å; H1102-S1106 PolarHBondContact O-OG 3.02Å
1103R83.9Confident79.1Confident19 Ų1927.8 Ų27.87%0.07215%0.148CC..Hα-helixtrans-47.2-49.8170.5156.8-172-167.668.91.2113.1A1099 V1100 T1120 V1186 D1190A1099-R1103 WeakPolarHBondContact O-CB 3.45Å; A1099-R1103 PolarHBondContact O-N 2.93Å; V1100-R1103 WeakPolarHBondContact O-CB 3.35Å; R1103-T1120 PolarHBondContact NH1-O 3Å; R1103-V1186 HydrophobicContact CG-CG1 3.53Å; R1103-V1186 VanDerWaalsContact CZ-CG1 3.44Å; R1103-D1190 IonicContact CZ-OD1 3.91Å; R1103-D1190 IonicContact CZ-OD2 3.46Å; R1103-D1190 IonicContact NE-OD1 3.76Å; R1103-D1190 IonicContact NE-OD2 3.35Å; R1103-D1190 PolarHBondContact NE-OD2 2.95Å; R1103-D1190 IonicContact NH2-OD1 2.7Å; R1103-D1190 PolarHBondContact NH2-OD1 2.75Å; R1103-D1190 IonicContact NH2-OD2 2.72Å; R1103-D1190 PolarHBondContact NH2-OD2 3.24Å
1104Y81.9Confident79.9Confident43 Ų4327 Ų2717%0.16914%0.141CC..Hα-helixtrans-63.8-46.6178.6168.7-94000111.7V1100 R1101 H1102 N1184 E1187V1100-Y1104 PolarHBondContact O-N 2.88Å; R1101-Y1104 PolarHBondContact O-N 2.9Å; H1102-Y1104 VanDerWaalsContact C-N 3.33Å; H1102-Y1104 PolarHBondContact O-N 3.49Å; Y1104-N1184 HydrophobicContact CD2-CB 4.01Å; Y1104-N1184 VanDerWaalsContact CD2-CG 3.48Å; Y1104-N1184 WeakPolarHBondContact CD2-ND2 3.18Å; Y1104-N1184 HydrophobicContact CE2-CB 3.5Å; Y1104-N1184 VanDerWaalsContact CE2-CB 3.5Å; Y1104-N1184 VanDerWaalsContact CE2-CG 3.49Å; Y1104-N1184 VanDerWaalsContact CE2-ND2 3.32Å; Y1104-N1184 WeakPolarHBondContact CE2-ND2 3.15Å; Y1104-N1184 PolarHBondContact O-ND2 3.17Å; Y1104-E1187 HydrophobicContact CD2-CB 3.79Å; Y1104-E1187 HydrophobicContact CE2-CB 3.96Å; Y1104-E1187 HydrophobicContact CE2-CG 4.49Å; Y1104-E1187 WeakPolarHBondContact CE2-OE2 3.3Å
1105L81.4Confident80.6Confident24 Ų2423.4 Ų23.413%0.12612%0.119CC..Hα-helixtrans-79.7-16.6-173.6-63.5169.5000113.8D1052 R1101 H1102 S1109 R1763D1052-L1105 HydrophobicContact CB-CD1 3.61Å; D1052-L1105 WeakPolarHBondContact O-CD1 3.38Å; R1101-L1105 HydrophobicContact CG-CD1 3.77Å; R1101-L1105 HydrophobicContact CG-CG 4.38Å; R1101-L1105 WeakPolarHBondContact O-CB 3.16Å; R1101-L1105 VanDerWaalsContact O-CG 3.25Å; R1101-L1105 WeakPolarHBondContact O-CG 3.48Å; R1101-L1105 PolarHBondContact O-N 3.08Å; H1102-L1105 PolarHBondContact O-N 2.92Å; H1102-L1105 VanDerWaalsContact O-N 3.12Å; L1105-S1109 WeakPolarHBondContact O-CB 3.3Å; L1105-S1109 PolarHBondContact O-OG 2.99Å; L1105-R1763 VanDerWaalsContact CD1-NH1 3.3Å
1106S82.4Confident81.1Confident4 Ų423.1 Ų23.13%0.02812%0.116CC..Hα-helixtrans-78.3-22.2174.8-63.90000112.7H1102 M1108 S1109H1102-S1106 PolarHBondContact NE2-OG 3.16Å; H1102-S1106 WeakPolarHBondContact O-CB 3.37Å; H1102-S1106 PolarHBondContact O-N 3.4Å; H1102-S1106 PolarHBondContact O-OG 3.02Å; S1106-M1108 PolarHBondContact O-N 2.73Å; S1106-S1109 WeakPolarHBondContact CA-OG 3.43Å; S1106-S1109 PolarHBondContact O-N 2.91Å; S1106-S1109 PolarHBondContact O-OG 3.48Å
1107Y79.9Confident81.4Confident44 Ų4424 Ų2417%0.17312%0.12CC..THydrogen-bonded Turntrans-62.1118.7179.3178-107.5000112S1109 W1124 N1184 A1185 V1186Y1107-S1109 PolarHBondContact O-N 3.44Å; Y1107-W1124 HydrophobicContact CD2-CD2 4.21Å; Y1107-W1124 HydrophobicContact CD2-CG 4.12Å; Y1107-W1124 HydrophobicContact CE2-CB 4.32Å; Y1107-W1124 AromaticContact CE2-CD2 3.74Å; Y1107-W1124 HydrophobicContact CE2-CD2 3.74Å; Y1107-W1124 HydrophobicContact CE2-CE3 4.03Å; Y1107-W1124 AromaticContact CE2-CG 3.84Å; Y1107-W1124 HydrophobicContact CE2-CG 3.84Å; Y1107-N1184 HydrophobicContact CD1-CB 4.37Å; Y1107-A1185 HydrophobicContact CE1-CB 4.17Å; Y1107-A1185 HydrophobicContact CE2-CB 3.98Å; Y1107-A1185 VanDerWaalsContact OH-CB 3.31Å; Y1107-A1185 WeakPolarHBondContact OH-CB 3.21Å; Y1107-V1186 HydrophobicContact CD2-CG2 3.69Å; Y1107-V1186 HydrophobicContact CE2-CG2 4.48Å; Y1107-V1186 HydrophobicContact CG-CG2 3.91Å
1108M75.4Confident81.5Confident96 Ų9625.3 Ų25.347%0.47313%0.128SC..THydrogen-bonded Turntrans51.125.9178.7-62.3-171.968.900115.1S1106 E1116S1106-M1108 PolarHBondContact O-N 2.73Å; M1108-E1116 PolarHBondContact N-OE1 2.98Å
1109S73.5Confident81.7Confident35 Ų3525.4 Ų25.425%0.24513%0.129CC..SBendtrans-90.52.8-174.364.30000115L1105 S1106 Y1107L1105-S1109 WeakPolarHBondContact O-CB 3.3Å; L1105-S1109 PolarHBondContact O-OG 2.99Å; S1106-S1109 WeakPolarHBondContact CA-OG 3.43Å; S1106-S1109 PolarHBondContact O-N 2.91Å; S1106-S1109 PolarHBondContact O-OG 3.48Å; Y1107-S1109 PolarHBondContact O-N 3.44Å
1110G76Confident81.7Confident27 Ų2725.4 Ų25.428%0.27813%0.129SC..SBendtrans80.514.8179.300000114.6R1760G1110-R1760 PolarHBondContact O-NH2 3.27Å
1111V83.8Confident81.3Confident2 Ų226.1 Ų26.11%0.01214%0.141CC..SBendtrans-69.4160.5160.7-64.40000110.5E1116 Q1696 R1763V1111-E1116 HydrophobicContact CG2-CB 3.99Å; V1111-Q1696 PolarHBondContact O-NE2 3.3Å; V1111-R1763 HydrophobicContact CG1-CB 3.59Å
1112F87Confident80.4Confident0 Ų025 Ų250%014%0.143CC..  trans-53.7144175.2-75.9-90.3000111.9E1114 D1115 E1116 L1692 L1699 M1718 I1732 E1768F1112-E1114 PolarHBondContact O-N 2.9Å; F1112-D1115 HydrophobicContact CB-CB 4.42Å; F1112-D1115 CarbonylContact O-C 3.5Å; F1112-D1115 WeakPolarHBondContact O-CA 3.33Å; F1112-D1115 WeakPolarHBondContact O-CB 3.4Å; F1112-D1115 PolarHBondContact O-N 3.46Å; F1112-E1116 PolarHBondContact O-N 3.05Å; F1112-L1692 HydrophobicContact CB-CD1 4.5Å; F1112-L1692 HydrophobicContact CD1-CD1 3.96Å; F1112-L1692 HydrophobicContact CD1-CD2 4.39Å; F1112-L1692 HydrophobicContact CD2-CD1 3.95Å; F1112-L1692 HydrophobicContact CE1-CD1 4.18Å; F1112-L1692 HydrophobicContact CE1-CD2 3.8Å; F1112-L1692 HydrophobicContact CE2-CD1 4.14Å; F1112-L1692 HydrophobicContact CE2-CD2 4.22Å; F1112-L1692 HydrophobicContact CG-CD1 3.86Å; F1112-L1692 HydrophobicContact CZ-CD1 4.27Å; F1112-L1692 HydrophobicContact CZ-CD2 3.71Å; F1112-L1699 HydrophobicContact CZ-CD1 4.27Å; F1112-M1718 HydrophobicContact CD1-CE 4.26Å; F1112-M1718 HydrophobicContact CE1-CE 3.93Å; F1112-M1718 HydrophobicContact CE1-SD 3.65Å; F1112-M1718 HydrophobicContact CZ-SD 4.4Å; F1112-I1732 HydrophobicContact CB-CD1 3.66Å; F1112-I1732 HydrophobicContact CB-CG1 3.87Å; F1112-I1732 HydrophobicContact CD1-CD1 4.47Å; F1112-I1732 HydrophobicContact CD1-CG1 3.73Å; F1112-I1732 HydrophobicContact CD2-CD1 4.41Å; F1112-I1732 HydrophobicContact CD2-CG1 4.26Å; F1112-I1732 HydrophobicContact CD2-CG2 4.14Å; F1112-I1732 HydrophobicContact CE1-CG1 4.27Å; F1112-I1732 HydrophobicContact CE2-CG2 4.08Å; F1112-I1732 HydrophobicContact CG-CD1 3.96Å; F1112-I1732 HydrophobicContact CG-CG1 3.7Å; F1112-I1732 HydrophobicContact CG-CG2 4.42Å; F1112-I1732 HydrophobicContact CZ-CG2 4.29Å; F1112-E1768 HydrophobicContact CD2-CB 4.02Å; F1112-E1768 HydrophobicContact CD2-CG 4.16Å; F1112-E1768 HydrophobicContact CE2-CB 4.16Å; F1112-E1768 HydrophobicContact CE2-CG 3.87Å
1113Y82.2Confident78.9Confident46 Ų4628.4 Ų28.418%0.1817%0.165CC..Hα-helixtrans-59.6-36.4-175.2170.7-91.6000111.3E1116 D1117 V1123 Q1696Y1113-E1116 PolarHBondContact O-N 2.82Å; Y1113-D1117 WeakPolarHBondContact O-CB 3.48Å; Y1113-D1117 PolarHBondContact O-N 3.17Å; Y1113-V1123 WeakPolarHBondContact OH-CB 3.34Å; Y1113-V1123 WeakPolarHBondContact OH-CG1 3.28Å; Y1113-V1123 VanDerWaalsContact OH-CG2 3.28Å; Y1113-V1123 WeakPolarHBondContact OH-CG2 3.46Å; Y1113-Q1696 VanDerWaalsContact CB-OE1 3.22Å
1114E83.2Confident77.4Confident19 Ų1930.4 Ų30.49%0.08917%0.173CC..Hα-helixtrans-66.1-39.6176.8-59.681.6-172.200111.6F1112 D1118 Q1728 I1732F1112-E1114 PolarHBondContact O-N 2.9Å; E1114-D1118 WeakPolarHBondContact O-CB 3.38Å; E1114-D1118 PolarHBondContact O-N 3.01Å; E1114-Q1728 HydrophobicContact CG-CB 3.65Å; E1114-Q1728 HydrophobicContact CG-CG 4.48Å; E1114-Q1728 WeakPolarHBondContact CG-O 3.5Å; E1114-I1732 HydrophobicContact CB-CD1 4.05Å
1115D88.1Confident75.6Confident1 Ų135.8 Ų35.81%0.00520%0.199CC..Hα-helixtrans-70-37.8173.7-75.5-24.5000111.5F1112 A1119 G1765 H1766 E1767 E1768F1112-D1115 HydrophobicContact CB-CB 4.42Å; F1112-D1115 CarbonylContact O-C 3.5Å; F1112-D1115 WeakPolarHBondContact O-CA 3.33Å; F1112-D1115 WeakPolarHBondContact O-CB 3.4Å; F1112-D1115 PolarHBondContact O-N 3.46Å; D1115-A1119 VanDerWaalsContact O-CB 3.25Å; D1115-A1119 WeakPolarHBondContact O-CB 3.49Å; D1115-A1119 PolarHBondContact O-N 3.33Å; D1115-G1765 VanDerWaalsContact OD2-C 3.3Å; D1115-G1765 WeakPolarHBondContact OD2-CA 3.34Å; D1115-H1766 VanDerWaalsContact CA-CE1 3.46Å; D1115-H1766 WeakPolarHBondContact CA-CE1 3.27Å; D1115-H1766 PolarHBondContact O-CE1 3.38Å; D1115-H1766 IonicContact OD1-CD2 3.93Å; D1115-H1766 PolarHBondContact OD1-CD2 3.33Å; D1115-H1766 IonicContact OD1-CE1 3.6Å; D1115-H1766 PolarHBondContact OD1-CE1 2.94Å; D1115-H1766 IonicContact OD1-CG 3Å; D1115-H1766 IonicContact OD1-ND1 3.93Å; D1115-H1766 IonicContact OD1-NE2 3.5Å; D1115-H1766 PolarHBondContact OD1-NE2 3.46Å; D1115-H1766 PolarHBondContact OD2-N 2.92Å; D1115-E1767 WeakPolarHBondContact OD1-CB 2.97Å; D1115-E1767 VanDerWaalsContact OD1-CG 3.3Å; D1115-E1767 WeakPolarHBondContact OD1-CG 3.39Å; D1115-E1767 PolarHBondContact OD1-N 3.46Å; D1115-E1767 PolarHBondContact OD2-N 3.44Å; D1115-E1768 PolarHBondContact OD2-N 2.97Å
1116E84.4Confident74Confident5 Ų537.9 Ų37.92%0.02321%0.206CC..Hα-helixtrans-62.5-44.9174.3-174.9174.2-175.500111.7M1108 V1111 F1112 Y1113 A1119 T1120 R1126M1108-E1116 PolarHBondContact N-OE1 2.98Å; V1111-E1116 HydrophobicContact CG2-CB 3.99Å; F1112-E1116 PolarHBondContact O-N 3.05Å; Y1113-E1116 PolarHBondContact O-N 2.82Å; E1116-A1119 PolarHBondContact O-N 3.48Å; E1116-T1120 HydrophobicContact CG-CG2 4.38Å; E1116-T1120 WeakPolarHBondContact O-CB 3.44Å; E1116-T1120 VanDerWaalsContact O-CG2 3.32Å; E1116-T1120 WeakPolarHBondContact O-CG2 3.23Å; E1116-T1120 PolarHBondContact O-N 3.23Å; E1116-T1120 PolarHBondContact O-OG1 2.86Å; E1116-R1126 IonicContact OE2-CZ 3.89Å; E1116-R1126 IonicContact OE2-NE 2.65Å; E1116-R1126 IonicContact OE2-NH2 2.95Å; E1116-R1126 PolarHBondContact OE2-NH2 2.69Å
1117D81.8Confident71.8Confident18 Ų1845.3 Ų45.310%0.09624%0.244CC..Hα-helixtrans-67.6-43.2178.1-171.444.3000111.4Y1113 A1119 G1121 V1123Y1113-D1117 WeakPolarHBondContact O-CB 3.48Å; Y1113-D1117 PolarHBondContact O-N 3.17Å; D1117-A1119 VanDerWaalsContact C-N 3.31Å; D1117-A1119 PolarHBondContact O-N 3.46Å; D1117-G1121 WeakPolarHBondContact O-CA 3.37Å; D1117-G1121 PolarHBondContact O-N 2.94Å; D1117-V1123 PolarHBondContact OD1-N 3.41Å; D1117-V1123 VanDerWaalsContact OD1-N 3.17Å
1118D83Confident69.5Low34 Ų3446.4 Ų46.418%0.18226%0.257CS..Hα-helixtrans-62.1-38.3177.2-90.5-7.7000112I1063 E1114 R1729 H1766I1063-D1118 HydrophobicContact CD1-CB 3.94Å; E1114-D1118 WeakPolarHBondContact O-CB 3.38Å; E1114-D1118 PolarHBondContact O-N 3.01Å; D1118-R1729 IonicContact OD1-NH2 3.21Å; D1118-R1729 IonicContact OD2-CZ 2.75Å; D1118-R1729 IonicContact OD2-NE 2.75Å; D1118-R1729 PolarHBondContact OD2-NE 3.22Å; D1118-R1729 IonicContact OD2-NH2 3.56Å; D1118-R1729 PolarHBondContact OD2-NH2 2.9Å; D1118-H1766 VanDerWaalsContact CB-CE1 3.49Å; D1118-H1766 WeakPolarHBondContact CB-CE1 3.41Å; D1118-H1766 IonicContact OD2-NE2 3.57Å; D1118-H1766 PolarHBondContact OD2-NE2 3.35Å
1119A83.3Confident67.7Low11 Ų1143 Ų439%0.09124%0.244CC..Hα-helixtrans-77.8-42.6179.200000113.4D1115 E1116 D1117D1115-A1119 VanDerWaalsContact O-CB 3.25Å; D1115-A1119 WeakPolarHBondContact O-CB 3.49Å; D1115-A1119 PolarHBondContact O-N 3.33Å; E1116-A1119 PolarHBondContact O-N 3.48Å; D1117-A1119 VanDerWaalsContact C-N 3.31Å; D1117-A1119 PolarHBondContact O-N 3.46Å
1120T80.3Confident65.7Low2 Ų245.9 Ų45.91%0.01226%0.264CS..Hα-helixtrans-88.6-19.3-176.164.90000113.5R1103 E1116 S1122 W1124 V1186R1103-T1120 PolarHBondContact NH1-O 3Å; E1116-T1120 HydrophobicContact CG-CG2 4.38Å; E1116-T1120 WeakPolarHBondContact O-CB 3.44Å; E1116-T1120 VanDerWaalsContact O-CG2 3.32Å; E1116-T1120 WeakPolarHBondContact O-CG2 3.23Å; E1116-T1120 PolarHBondContact O-N 3.23Å; E1116-T1120 PolarHBondContact O-OG1 2.86Å; T1120-S1122 PolarHBondContact O-N 2.92Å; T1120-S1122 PolarHBondContact OG1-O 3.32Å; T1120-W1124 PolarHBondContact OG1-NE1 3.5Å; T1120-V1186 HydrophobicContact CG2-CG2 3.91Å
1121G70.4Confident63.8Low39 Ų3953.8 Ų53.840%0.40229%0.294SS..SBendtrans68.916.418000000114D1117D1117-G1121 WeakPolarHBondContact O-CA 3.37Å; D1117-G1121 PolarHBondContact O-N 2.94Å
1122S62.5Low61.3Low43 Ų4356 Ų5630%0.30131%0.309SS..SBendtrans-149.8135.4178.7-73.80000110.5T1120 W1124T1120-S1122 PolarHBondContact O-N 2.92Å; T1120-S1122 PolarHBondContact OG1-O 3.32Å; S1122-W1124 VanDerWaalsContact C-N 3.32Å; S1122-W1124 PolarHBondContact O-N 2.95Å
1123V52.9Low58.7Low85 Ų8560 Ų6052%0.51533%0.331SS..  trans-69.492.7169.9168.50000108.1Y1113 D1117 Q1125Y1113-V1123 WeakPolarHBondContact OH-CB 3.34Å; Y1113-V1123 WeakPolarHBondContact OH-CG1 3.28Å; Y1113-V1123 VanDerWaalsContact OH-CG2 3.28Å; Y1113-V1123 WeakPolarHBondContact OH-CG2 3.46Å; D1117-V1123 PolarHBondContact OD1-N 3.41Å; D1117-V1123 VanDerWaalsContact OD1-N 3.17Å; V1123-Q1125 PolarHBondContact O-N 3.46Å
1124W52.2Low56.4Low60 Ų6059 Ų5923%0.22733%0.332CS..  trans-72.299.4168.5-6296000107.1Y1107 T1120 S1122 R1126 A1185 V1186Y1107-W1124 HydrophobicContact CD2-CD2 4.21Å; Y1107-W1124 HydrophobicContact CD2-CG 4.12Å; Y1107-W1124 HydrophobicContact CE2-CB 4.32Å; Y1107-W1124 AromaticContact CE2-CD2 3.74Å; Y1107-W1124 HydrophobicContact CE2-CD2 3.74Å; Y1107-W1124 HydrophobicContact CE2-CE3 4.03Å; Y1107-W1124 AromaticContact CE2-CG 3.84Å; Y1107-W1124 HydrophobicContact CE2-CG 3.84Å; T1120-W1124 PolarHBondContact OG1-NE1 3.5Å; S1122-W1124 VanDerWaalsContact C-N 3.32Å; S1122-W1124 PolarHBondContact O-N 2.95Å; W1124-R1126 VanDerWaalsContact C-N 3.29Å; W1124-R1126 PolarHBondContact O-N 3.39Å; W1124-A1185 HydrophobicContact CE3-CB 4.08Å; W1124-A1185 HydrophobicContact CH2-CB 3.74Å; W1124-A1185 HydrophobicContact CZ3-CB 3.47Å; W1124-A1185 VanDerWaalsContact CZ3-CB 3.47Å; W1124-V1186 HydrophobicContact CZ2-CB 4.38Å; W1124-V1186 HydrophobicContact CZ2-CG2 3.58Å
1125Q44.9Very low54Low156 Ų15662 Ų6273%0.72935%0.351SS*.  trans-58.499.5167.8-95.8-178.6-9.900107.4V1123 L1127V1123-Q1125 PolarHBondContact O-N 3.46Å; Q1125-L1127 PolarHBondContact O-N 2.71Å
1126R47.4Very low51.4Low68 Ų6868.5 Ų68.526%0.25738%0.381SS..  trans-54.3112.8152-68.1-175.3-164.2162.213.2103.6E1116 W1124 Y1694E1116-R1126 IonicContact OE2-CZ 3.89Å; E1116-R1126 IonicContact OE2-NE 2.65Å; E1116-R1126 IonicContact OE2-NH2 2.95Å; E1116-R1126 PolarHBondContact OE2-NH2 2.69Å; W1124-R1126 VanDerWaalsContact C-N 3.29Å; W1124-R1126 PolarHBondContact O-N 3.39Å; R1126-Y1694 PolarHBondContact NH1-O 3.26Å
1127L35Very low48.9Very low161 Ų16169 Ų6984%0.84338%0.383SS*.  trans-31.5114.8-177.8-84153.8000108.7Q1125 A1129Q1125-L1127 PolarHBondContact O-N 2.71Å; L1127-A1129 PolarHBondContact O-N 2.71Å
1128P32.3Very low46.7Very low66 Ų6669.5 Ų69.543%0.42939%0.388SS..  trans-59.3133.2-17422.2-30.4000106.7S1130P1128-S1130 WeakPolarHBondContact CB-OG 3.43Å; P1128-S1130 WeakPolarHBondContact CG-OG 3.34Å; P1128-S1130 PolarHBondContact O-N 3.41Å
1129A36.8Very low44.6Very low26 Ų2675.5 Ų75.522%0.21541%0.408CS..G310 helixtrans-59.19.4169.700000111.9L1127 Q1131 C1132 V1135L1127-A1129 PolarHBondContact O-N 2.71Å; A1129-Q1131 PolarHBondContact O-N 3.46Å; A1129-Q1131 VanDerWaalsContact O-N 3.09Å; A1129-C1132 HydrophobicContact CB-CB 4.49Å; A1129-C1132 CarbonylContact O-C 3.43Å; A1129-C1132 VanDerWaalsContact O-C 3.29Å; A1129-C1132 WeakPolarHBondContact O-CA 3.36Å; A1129-C1132 PolarHBondContact O-N 2.76Å; A1129-V1135 HydrophobicContact CB-CG2 3.89Å
1130S33Very low42.3Very low94 Ų9476 Ų7666%0.65741%0.409SS*.G310 helixtrans-67.62.4171.3620000114.6P1128P1128-S1130 WeakPolarHBondContact CB-OG 3.43Å; P1128-S1130 WeakPolarHBondContact CG-OG 3.34Å; P1128-S1130 PolarHBondContact O-N 3.41Å
1131Q35.6Very low40.3Very low193 Ų19377.9 Ų77.990%0.90242%0.419SS*.G310 helixtrans-103.44.4160-79.6-1765.500113.5A1129A1129-Q1131 PolarHBondContact O-N 3.46Å; A1129-Q1131 VanDerWaalsContact O-N 3.09Å
1132C31.8Very low38.8Very low50 Ų5076.6 Ų76.634%0.33840%0.403SS..THydrogen-bonded Turntrans-119.8119169.6-1470000106.5A1129 A1134A1129-C1132 HydrophobicContact CB-CB 4.49Å; A1129-C1132 CarbonylContact O-C 3.43Å; A1129-C1132 VanDerWaalsContact O-C 3.29Å; A1129-C1132 WeakPolarHBondContact O-CA 3.36Å; A1129-C1132 PolarHBondContact O-N 2.76Å; C1132-A1134 HydrophobicContact CB-CB 4.13Å; C1132-A1134 PolarHBondContact O-N 3.48Å
1133N31.6Very low37.5Very low84 Ų8478.1 Ų78.145%0.44941%0.406SS..THydrogen-bonded Turntrans-67.140.8173.5-75.4-26.6000112.4D1410 L1411N1133-D1410 WeakPolarHBondContact ND2-CB 3.4Å; N1133-L1411 HydrophobicContact CB-CD1 4.09Å
1134A33.4Very low36.7Very low25 Ų2574.2 Ų74.221%0.20738%0.382CS..THydrogen-bonded Turntrans-107.3-5.5-172.300000113.4C1132 F1137 C1138C1132-A1134 HydrophobicContact CB-CB 4.13Å; C1132-A1134 PolarHBondContact O-N 3.48Å; A1134-F1137 WeakPolarHBondContact O-CB 3.3Å; A1134-F1137 PolarHBondContact O-N 2.76Å; A1134-C1138 PolarHBondContact O-N 2.91Å
1135V32.4Very low36Very low80 Ų8073.1 Ų73.149%0.48538%0.381SS..Hα-helixtrans-74.6-35.2-176.9-179.40000112.7A1129 F1137A1129-V1135 HydrophobicContact CB-CG2 3.89Å; V1135-F1137 VanDerWaalsContact C-N 3.28Å
1136E33.4Very low35.5Very low139 Ų13970.9 Ų70.965%0.6537%0.366SS*.Hα-helixtrans-67-36.1167.9-76.7-179.514900110.8R1139 D1140E1136-R1139 WeakPolarHBondContact O-CB 3.35Å; E1136-R1139 PolarHBondContact O-N 3.11Å; E1136-D1140 PolarHBondContact O-N 3.44Å
1137F33.3Very low34.9Very low14 Ų1472.6 Ų72.66%0.06138%0.377CS..Hα-helixtrans-71.1-32.7-176.6-176.6-111.5000114.7A1134 V1135 R1139 D1140 I1141 W1401 R1537 L1538 T1541A1134-F1137 WeakPolarHBondContact O-CB 3.3Å; A1134-F1137 PolarHBondContact O-N 2.76Å; V1135-F1137 VanDerWaalsContact C-N 3.28Å; F1137-R1139 VanDerWaalsContact C-N 3.32Å; F1137-D1140 WeakPolarHBondContact CA-OD2 3.35Å; F1137-D1140 WeakPolarHBondContact O-CB 3.42Å; F1137-D1140 PolarHBondContact O-N 2.71Å; F1137-I1141 HydrophobicContact CD1-CD1 3.9Å; F1137-I1141 HydrophobicContact CE1-CD1 3.39Å; F1137-I1141 HydrophobicContact CE1-CG1 4.31Å; F1137-I1141 HydrophobicContact CE2-CD1 4.38Å; F1137-I1141 HydrophobicContact CE2-CG1 4.5Å; F1137-I1141 HydrophobicContact CZ-CD1 3.64Å; F1137-I1141 HydrophobicContact CZ-CG1 4.17Å; F1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; F1137-I1141 PolarHBondContact O-N 3.37Å; F1137-W1401 AromaticContact CD2-CZ2 3.62Å; F1137-W1401 HydrophobicContact CD2-CZ2 3.62Å; F1137-W1401 HydrophobicContact CE2-CH2 4.21Å; F1137-W1401 AromaticContact CE2-CZ2 3.43Å; F1137-W1401 HydrophobicContact CE2-CZ2 3.43Å; F1137-W1401 VanDerWaalsContact CE2-CZ2 3.43Å; F1137-R1537 HydrophobicContact CE1-CB 4.26Å; F1137-R1537 WeakPolarHBondContact CZ-O 3.42Å; F1137-L1538 HydrophobicContact CD1-CD2 3.95Å; F1137-L1538 HydrophobicContact CD1-CG 4.41Å; F1137-L1538 HydrophobicContact CD2-CD2 3.67Å; F1137-L1538 HydrophobicContact CE1-CD2 3.81Å; F1137-L1538 HydrophobicContact CE1-CG 3.92Å; F1137-L1538 HydrophobicContact CE2-CD2 3.56Å; F1137-L1538 HydrophobicContact CE2-CG 4.32Å; F1137-L1538 HydrophobicContact CG-CD2 3.88Å; F1137-L1538 HydrophobicContact CZ-CB 4.2Å; F1137-L1538 HydrophobicContact CZ-CD2 3.63Å; F1137-L1538 HydrophobicContact CZ-CG 3.9Å; F1137-T1541 HydrophobicContact CD2-CG2 4.29Å; F1137-T1541 HydrophobicContact CE2-CG2 3.4Å; F1137-T1541 HydrophobicContact CZ-CG2 3.78Å; F1137-T1541 WeakPolarHBondContact CZ-OG1 3.31Å
1138C36.2Very low34.8Very low29 Ų2965.9 Ų65.920%0.19634%0.342CS..Hα-helixtrans-68.8-31172.3-78.40000112.6A1134 I1141 V1142 W1698A1134-C1138 PolarHBondContact O-N 2.91Å; C1138-I1141 PolarHBondContact O-N 2.77Å; C1138-V1142 PolarHBondContact O-N 3.25Å; C1138-V1142 VanDerWaalsContact O-N 3.11Å; C1138-W1698 HydrophobicContact CB-CZ2 4.24Å; C1138-W1698 VanDerWaalsContact O-CZ2 3.3Å; C1138-W1698 WeakPolarHBondContact O-CZ2 3.24Å
1139R37.3Very low34.9Very low161 Ų16164.4 Ų64.461%0.60833%0.332SS*.Hα-helixtrans-67.6-40.4172.9-153.6-175.4-166.6-144.85.2110.4E1136 F1137 V1142 E1143E1136-R1139 WeakPolarHBondContact O-CB 3.35Å; E1136-R1139 PolarHBondContact O-N 3.11Å; F1137-R1139 VanDerWaalsContact C-N 3.32Å; R1139-V1142 CarbonylContact O-C 3.53Å; R1139-V1142 PolarHBondContact O-N 3.21Å; R1139-E1143 VanDerWaalsContact O-CB 3.31Å; R1139-E1143 WeakPolarHBondContact O-CB 3.3Å; R1139-E1143 PolarHBondContact O-N 3.37Å
1140D36.5Very low34.6Very low21 Ų2167.3 Ų67.311%0.11234%0.344CS..Hα-helixtrans-59.1-49.9173.1-61.8-50.7000111.9E1136 F1137 V1142 E1143 L1144 W1401 R1545E1136-D1140 PolarHBondContact O-N 3.44Å; F1137-D1140 WeakPolarHBondContact CA-OD2 3.35Å; F1137-D1140 WeakPolarHBondContact O-CB 3.42Å; F1137-D1140 PolarHBondContact O-N 2.71Å; D1140-V1142 VanDerWaalsContact C-N 3.33Å; D1140-V1142 PolarHBondContact O-N 3.48Å; D1140-E1143 PolarHBondContact O-N 3.04Å; D1140-L1144 WeakPolarHBondContact O-CB 3.4Å; D1140-L1144 PolarHBondContact O-N 3.24Å; D1140-W1401 PolarHBondContact OD2-NE1 2.89Å; D1140-R1545 VanDerWaalsContact CB-NH2 3.27Å; D1140-R1545 VanDerWaalsContact CG-NH2 3.34Å; D1140-R1545 IonicContact OD1-CZ 3.53Å; D1140-R1545 IonicContact OD1-NH1 2.82Å; D1140-R1545 PolarHBondContact OD1-NH1 3.33Å; D1140-R1545 IonicContact OD1-NH2 2.77Å; D1140-R1545 PolarHBondContact OD1-NH2 2.85Å
1141I38.1Very low34.5Very low41 Ų4164.4 Ų64.421%0.2132%0.321CS..Hα-helixtrans-63.7-33.1-178.7-68.6172.3000112.6F1137 C1138 L1144 V1145 T1541F1137-I1141 HydrophobicContact CD1-CD1 3.9Å; F1137-I1141 HydrophobicContact CE1-CD1 3.39Å; F1137-I1141 HydrophobicContact CE1-CG1 4.31Å; F1137-I1141 HydrophobicContact CE2-CD1 4.38Å; F1137-I1141 HydrophobicContact CE2-CG1 4.5Å; F1137-I1141 HydrophobicContact CZ-CD1 3.64Å; F1137-I1141 HydrophobicContact CZ-CG1 4.17Å; F1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; F1137-I1141 PolarHBondContact O-N 3.37Å; C1138-I1141 PolarHBondContact O-N 2.77Å; I1141-L1144 CarbonylContact O-C 3.6Å; I1141-L1144 WeakPolarHBondContact O-CB 3.49Å; I1141-L1144 PolarHBondContact O-N 2.65Å; I1141-V1145 HydrophobicContact CG2-CG2 4.22Å; I1141-V1145 WeakPolarHBondContact O-CB 3.36Å; I1141-V1145 VanDerWaalsContact O-CG2 3.23Å; I1141-V1145 WeakPolarHBondContact O-CG2 3.33Å; I1141-V1145 PolarHBondContact O-N 3.4Å; I1141-T1541 HydrophobicContact CD1-CG2 4.32Å; I1141-T1541 WeakPolarHBondContact CD1-OG1 3.28Å; I1141-T1541 HydrophobicContact CG1-CG2 3.48Å; I1141-T1541 VanDerWaalsContact CG1-CG2 3.48Å; I1141-T1541 WeakPolarHBondContact CG1-OG1 3.44Å
1142V38.6Very low34.5Very low13 Ų1356 Ų568%0.07928%0.283CS..Hα-helixtrans-112.223.7177.9-163.80000112.9C1138 R1139 D1140 V1145 R1146 W1698 V1715C1138-V1142 PolarHBondContact O-N 3.25Å; C1138-V1142 VanDerWaalsContact O-N 3.11Å; R1139-V1142 CarbonylContact O-C 3.53Å; R1139-V1142 PolarHBondContact O-N 3.21Å; D1140-V1142 VanDerWaalsContact C-N 3.33Å; D1140-V1142 PolarHBondContact O-N 3.48Å; V1142-V1145 HydrophobicContact CB-CB 4.34Å; V1142-V1145 HydrophobicContact CG1-CB 4.09Å; V1142-V1145 HydrophobicContact CG1-CG1 4.23Å; V1142-V1145 HydrophobicContact CG2-CB 4.18Å; V1142-V1145 HydrophobicContact CG2-CG2 4.4Å; V1142-R1146 VanDerWaalsContact O-CB 3.24Å; V1142-R1146 WeakPolarHBondContact O-CB 3.11Å; V1142-W1698 HydrophobicContact CB-CD2 3.71Å; V1142-W1698 HydrophobicContact CB-CE3 3.51Å; V1142-W1698 HydrophobicContact CB-CH2 3.62Å; V1142-W1698 HydrophobicContact CB-CZ2 3.82Å; V1142-W1698 HydrophobicContact CB-CZ3 3.45Å; V1142-W1698 VanDerWaalsContact CB-CZ3 3.45Å; V1142-W1698 HydrophobicContact CG1-CD2 3.75Å; V1142-W1698 HydrophobicContact CG1-CE3 3.28Å; V1142-W1698 HydrophobicContact CG1-CG 4.39Å; V1142-W1698 HydrophobicContact CG1-CH2 4.29Å; V1142-W1698 HydrophobicContact CG1-CZ3 3.59Å; V1142-W1698 HydrophobicContact CG2-CD2 3.64Å; V1142-W1698 HydrophobicContact CG2-CE3 4Å; V1142-W1698 HydrophobicContact CG2-CG 4.07Å; V1142-W1698 HydrophobicContact CG2-CH2 4.25Å; V1142-W1698 HydrophobicContact CG2-CZ2 3.91Å; V1142-W1698 HydrophobicContact CG2-CZ3 4.28Å; V1142-V1715 HydrophobicContact CG1-CG1 3.9Å
1143E35.9Very low34.6Very low75 Ų7554.5 Ų54.535%0.3527%0.271SS..Hα-helixtrans-93.6-32.7141.5-156154.3-144.200109.6R1139 D1140 R1146 H1147R1139-E1143 VanDerWaalsContact O-CB 3.31Å; R1139-E1143 WeakPolarHBondContact O-CB 3.3Å; R1139-E1143 PolarHBondContact O-N 3.37Å; D1140-E1143 PolarHBondContact O-N 3.04Å; E1143-R1146 CarbonylContact O-C 3.56Å; E1143-R1146 PolarHBondContact O-N 3.16Å; E1143-H1147 WeakPolarHBondContact O-CB 3.09Å; E1143-H1147 PolarHBondContact O-CD2 3.28Å; E1143-H1147 VanDerWaalsContact O-CD2 3.23Å; E1143-H1147 PolarHBondContact O-N 3.28Å
1144L36.1Very low34.6Very low3 Ų353.2 Ų53.22%0.01626%0.264CS..Hα-helixtrans-71.9-48174.8-170.3115.5000112.9D1140 I1141 R1146 H1147 Q1148 F1544 R1545 L1548D1140-L1144 WeakPolarHBondContact O-CB 3.4Å; D1140-L1144 PolarHBondContact O-N 3.24Å; I1141-L1144 CarbonylContact O-C 3.6Å; I1141-L1144 WeakPolarHBondContact O-CB 3.49Å; I1141-L1144 PolarHBondContact O-N 2.65Å; L1144-R1146 PolarHBondContact O-N 3.17Å; L1144-H1147 CarbonylContact O-C 3.54Å; L1144-H1147 PolarHBondContact O-N 3.36Å; L1144-Q1148 VanDerWaalsContact O-CB 3.25Å; L1144-Q1148 WeakPolarHBondContact O-CB 3.48Å; L1144-Q1148 WeakPolarHBondContact O-CG 3.19Å; L1144-Q1148 PolarHBondContact O-N 3.45Å; L1144-F1544 HydrophobicContact CD1-CB 3.47Å; L1144-F1544 VanDerWaalsContact CD1-CB 3.47Å; L1144-F1544 HydrophobicContact CD2-CB 3.33Å; L1144-F1544 HydrophobicContact CD2-CD1 4.17Å; L1144-F1544 HydrophobicContact CD2-CD2 3.83Å; L1144-F1544 HydrophobicContact CD2-CG 3.56Å; L1144-F1544 HydrophobicContact CG-CB 3.91Å; L1144-R1545 HydrophobicContact CD1-CG 3.89Å; L1144-L1548 HydrophobicContact CD1-CD1 3.42Å; L1144-L1548 VanDerWaalsContact CD1-CD1 3.42Å; L1144-L1548 HydrophobicContact CD1-CG 3.88Å; L1144-L1548 HydrophobicContact CG-CD1 4.25Å
1145V36.7Very low34.7Very low36 Ų3654.1 Ų54.122%0.21827%0.268CS..Hα-helixtrans-65.1-25.7170.2168.60000110.8I1141 V1142 Q1148 S1149 V1715I1141-V1145 HydrophobicContact CG2-CG2 4.22Å; I1141-V1145 WeakPolarHBondContact O-CB 3.36Å; I1141-V1145 VanDerWaalsContact O-CG2 3.23Å; I1141-V1145 WeakPolarHBondContact O-CG2 3.33Å; I1141-V1145 PolarHBondContact O-N 3.4Å; V1142-V1145 HydrophobicContact CB-CB 4.34Å; V1142-V1145 HydrophobicContact CG1-CB 4.09Å; V1142-V1145 HydrophobicContact CG1-CG1 4.23Å; V1142-V1145 HydrophobicContact CG2-CB 4.18Å; V1142-V1145 HydrophobicContact CG2-CG2 4.4Å; V1145-Q1148 CarbonylContact O-C 3.55Å; V1145-S1149 WeakPolarHBondContact O-CB 3.47Å; V1145-S1149 PolarHBondContact O-N 3.43Å; V1145-S1149 PolarHBondContact O-OG 3.46Å; V1145-V1715 HydrophobicContact CG1-CB 3.62Å; V1145-V1715 HydrophobicContact CG1-CG1 3.74Å; V1145-V1715 HydrophobicContact CG1-CG2 3.54Å
1146R35.1Very low34.6Very low109 Ų10951.2 Ų51.241%0.41125%0.25SS..Hα-helixtrans-80.1-37175.3-162.8-177.8-171.6130.41.4112.4V1142 E1143 L1144 Q1148 S1149 N1717V1142-R1146 VanDerWaalsContact O-CB 3.24Å; V1142-R1146 WeakPolarHBondContact O-CB 3.11Å; E1143-R1146 CarbonylContact O-C 3.56Å; E1143-R1146 PolarHBondContact O-N 3.16Å; L1144-R1146 PolarHBondContact O-N 3.17Å; R1146-Q1148 VanDerWaalsContact C-N 3.3Å; R1146-S1149 PolarHBondContact O-N 3.27Å; R1146-N1717 PolarHBondContact NH1-ND2 2.89Å
1147H33.2Very low34.5Very low104 Ų10445.4 Ų45.448%0.48123%0.225SC..Hα-helixtrans-67.8-29.8166.1-88.8-70.3000111.9E1143 L1144 L1150 L1548E1143-H1147 WeakPolarHBondContact O-CB 3.09Å; E1143-H1147 PolarHBondContact O-CD2 3.28Å; E1143-H1147 VanDerWaalsContact O-CD2 3.23Å; E1143-H1147 PolarHBondContact O-N 3.28Å; L1144-H1147 CarbonylContact O-C 3.54Å; L1144-H1147 PolarHBondContact O-N 3.36Å; H1147-L1150 WeakPolarHBondContact O-CB 3.5Å; H1147-L1150 PolarHBondContact O-N 2.81Å; H1147-L1548 HydrophobicContact CB-CD2 4.37Å
1148Q34.7Very low34.3Very low21 Ų2150.7 Ų50.710%0.09825%0.254CS..Hα-helixtrans-84.6-20.3173.8-71.3165.2-11.400113.3L1144 V1145 R1146 L1150 I1151 P1152 L1154L1144-Q1148 VanDerWaalsContact O-CB 3.25Å; L1144-Q1148 WeakPolarHBondContact O-CB 3.48Å; L1144-Q1148 WeakPolarHBondContact O-CG 3.19Å; L1144-Q1148 PolarHBondContact O-N 3.45Å; V1145-Q1148 CarbonylContact O-C 3.55Å; R1146-Q1148 VanDerWaalsContact C-N 3.3Å; Q1148-L1150 PolarHBondContact O-N 2.86Å; Q1148-L1150 VanDerWaalsContact O-N 3.13Å; Q1148-I1151 CarbonylContact C-O 3.5Å; Q1148-I1151 CarbonylContact O-C 3.5Å; Q1148-I1151 WeakPolarHBondContact O-CA 3.14Å; Q1148-I1151 PolarHBondContact O-N 3.43Å; Q1148-P1152 VanDerWaalsContact O-CA 3.29Å; Q1148-P1152 WeakPolarHBondContact O-CA 3.49Å; Q1148-L1154 VanDerWaalsContact CD-CD1 3.42Å; Q1148-L1154 HydrophobicContact CG-CD1 4.29Å
1149S33.2Very low33.9Very low34 Ų3451.9 Ų51.924%0.23826%0.257CS..THydrogen-bonded Turntrans-66.1-15.9167.4-59.10000110.9V1145 R1146 R1652V1145-S1149 WeakPolarHBondContact O-CB 3.47Å; V1145-S1149 PolarHBondContact O-N 3.43Å; V1145-S1149 PolarHBondContact O-OG 3.46Å; R1146-S1149 PolarHBondContact O-N 3.27Å; S1149-R1652 PolarHBondContact O-NH2 2.68Å
1150L30.5Very low33.5Very low88 Ų8847.5 Ų47.546%0.46125%0.248SC..THydrogen-bonded Turntrans-89.9-9.7168.5-62167.9000113.2H1147 Q1148 R1652H1147-L1150 WeakPolarHBondContact O-CB 3.5Å; H1147-L1150 PolarHBondContact O-N 2.81Å; Q1148-L1150 PolarHBondContact O-N 2.86Å; Q1148-L1150 VanDerWaalsContact O-N 3.13Å; L1150-R1652 PolarHBondContact O-NH2 3.12Å
1151I31.5Very low33Very low32 Ų3252 Ų5216%0.16427%0.267CS..SBendtrans-138.374.5176.5-50.3174000107.9Q1148 D1153 L1551Q1148-I1151 CarbonylContact C-O 3.5Å; Q1148-I1151 CarbonylContact O-C 3.5Å; Q1148-I1151 WeakPolarHBondContact O-CA 3.14Å; Q1148-I1151 PolarHBondContact O-N 3.43Å; I1151-D1153 WeakPolarHBondContact CG2-OD2 3.41Å; I1151-D1153 PolarHBondContact O-N 2.93Å; I1151-L1551 HydrophobicContact CD1-CD1 3.6Å
1152P35.7Very low32.4Very low17 Ų1755.2 Ų55.211%0.1128%0.276CS..  trans-73.911.4-148.930.7-39000117.5Q1148 L1154 I1613Q1148-P1152 VanDerWaalsContact O-CA 3.29Å; Q1148-P1152 WeakPolarHBondContact O-CA 3.49Å; P1152-L1154 PolarHBondContact O-N 2.88Å; P1152-I1613 HydrophobicContact CB-CD1 3.98Å; P1152-I1613 HydrophobicContact CG-CB 4.06Å; P1152-I1613 HydrophobicContact CG-CD1 3.61Å; P1152-I1613 HydrophobicContact CG-CG1 4.42Å; P1152-I1613 HydrophobicContact CG-CG2 3.99Å
1153D33.1Very low31.9Very low18 Ų1859.5 Ų59.510%0.09631%0.305CS..G310 helixtrans-70.52.5-157.5-60.5-90000117.5I1151 T1155 Q1612 I1613I1151-D1153 WeakPolarHBondContact CG2-OD2 3.41Å; I1151-D1153 PolarHBondContact O-N 2.93Å; D1153-T1155 VanDerWaalsContact C-N 3.32Å; D1153-T1155 PolarHBondContact O-N 3.49Å; D1153-Q1612 HydrophobicContact CB-CB 4.08Å; D1153-Q1612 HydrophobicContact CB-CG 3.98Å; D1153-Q1612 WeakPolarHBondContact OD1-CB 3.3Å; D1153-I1613 WeakPolarHBondContact OD1-CA 3.24Å; D1153-I1613 PolarHBondContact OD1-N 3.35Å; D1153-I1613 VanDerWaalsContact OD1-O 3.04Å
1154L32.3Very low31.5Very low57 Ų5759 Ų5930%0.29831%0.309SS..G310 helixtrans-83.93.1-168.8-117.4133.2000115.6Q1148 P1152 C1156 S1157 F1544Q1148-L1154 VanDerWaalsContact CD-CD1 3.42Å; Q1148-L1154 HydrophobicContact CG-CD1 4.29Å; P1152-L1154 PolarHBondContact O-N 2.88Å; L1154-C1156 PolarHBondContact O-N 2.97Å; L1154-C1156 VanDerWaalsContact O-N 3.12Å; L1154-S1157 PolarHBondContact O-N 3.08Å; L1154-F1544 HydrophobicContact CD1-CE1 3.74Å; L1154-F1544 HydrophobicContact CD1-CZ 3.74Å; L1154-F1544 HydrophobicContact CD2-CZ 4.03Å; L1154-F1544 HydrophobicContact CG-CZ 4.29Å
1155T34.3Very low31Very low45 Ų4564.1 Ų64.128%0.27634%0.336SS..G310 helixtrans-60.5-19173.68.60000112.9D1153 L1711D1153-T1155 VanDerWaalsContact C-N 3.32Å; D1153-T1155 PolarHBondContact O-N 3.49Å; T1155-L1711 HydrophobicContact CG2-CD2 4.15Å
1156C32.1Very low30.6Very low18 Ų1867.9 Ų67.912%0.12236%0.362CS..THydrogen-bonded Turntrans-104.1-17.6179.6-84.20000116.5L1154 L1158 M1159 S1608L1154-C1156 PolarHBondContact O-N 2.97Å; L1154-C1156 VanDerWaalsContact O-N 3.12Å; C1156-L1158 VanDerWaalsContact C-N 3.28Å; C1156-L1158 PolarHBondContact O-N 2.95Å; C1156-M1159 PolarHBondContact O-N 3.36Å; C1156-S1608 WeakPolarHBondContact CB-OG 3.25Å
1157S29.6Very low30.2Very low18 Ų1865.7 Ų65.713%0.12637%0.368CS..THydrogen-bonded Turntrans-76.7-12.4179.1-78.10000113.8L1154 F1161L1154-S1157 PolarHBondContact O-N 3.08Å; S1157-F1161 VanDerWaalsContact O-CD2 3.31Å; S1157-F1161 WeakPolarHBondContact O-CD2 3.42Å; S1157-F1161 WeakPolarHBondContact O-CE2 3.48Å
1158L29.9Very low30Very low125 Ų12562.5 Ų62.565%0.65436%0.357SS*.THydrogen-bonded Turntrans-80.1-23.2171.3-78.5166.8000113C1156 T1160 F1161C1156-L1158 VanDerWaalsContact C-N 3.28Å; C1156-L1158 PolarHBondContact O-N 2.95Å; L1158-T1160 VanDerWaalsContact C-N 3.26Å; L1158-T1160 PolarHBondContact O-N 3.43Å; L1158-F1161 PolarHBondContact O-N 3.44Å
1159M27.6Very low29.8Very low54 Ų5468.1 Ų68.127%0.26639%0.387SS..G310 helixtrans-68-26.6179.1-61.8-63.7-119.500112.2C1156 F1161 R1162 F1943 F1945C1156-M1159 PolarHBondContact O-N 3.36Å; M1159-F1161 VanDerWaalsContact C-N 3.29Å; M1159-F1161 PolarHBondContact O-N 3.07Å; M1159-R1162 PolarHBondContact O-N 3.24Å; M1159-F1943 VanDerWaalsContact CE-O 3.31Å; M1159-F1943 WeakPolarHBondContact CE-O 3.21Å; M1159-F1945 WeakPolarHBondContact CE-OXT 3.3Å
1160T28.6Very low29.6Very low69 Ų6977.2 Ų77.242%0.42342%0.415SS..G310 helixtrans-79.9-5.9179.6-4.30000114.1L1158L1158-T1160 VanDerWaalsContact C-N 3.26Å; L1158-T1160 PolarHBondContact O-N 3.43Å
1161F27Very low29.3Very low114 Ų11477.4 Ų77.450%0.543%0.425SS..G310 helixtrans-87.8-7.2171.3-72.1-91.8000113.3S1157 L1158 M1159S1157-F1161 VanDerWaalsContact O-CD2 3.31Å; S1157-F1161 WeakPolarHBondContact O-CD2 3.42Å; S1157-F1161 WeakPolarHBondContact O-CE2 3.48Å; L1158-F1161 PolarHBondContact O-N 3.44Å; M1159-F1161 VanDerWaalsContact C-N 3.29Å; M1159-F1161 PolarHBondContact O-N 3.07Å
1162R25Very low29Very low109 Ų10980.7 Ų80.741%0.41145%0.446SS..THydrogen-bonded Turntrans-96.4131.6169-64.4-179.4162.9-153.1-16.9107.1M1159 V1944 F1945M1159-R1162 PolarHBondContact O-N 3.24Å; R1162-V1944 VanDerWaalsContact CZ-O 3.28Å; R1162-V1944 PolarHBondContact NH1-O 3.32Å; R1162-F1945 VanDerWaalsContact NH1-CA 3.29Å; R1162-F1945 VanDerWaalsContact NH1-CD2 3.32Å; R1162-F1945 VanDerWaalsContact NH1-CE1 3.29Å
1163P27Very low28.9Very low104 Ų10483.4 Ų83.468%0.67547%0.466SS*.THydrogen-bonded Turncis-12392.310.234.8-14.8000112.5
1164S28.1Very low28.7Very low63 Ų6388.2 Ų88.244%0.44150%0.501SS..THydrogen-bonded Turntrans-127.2-21.3162.482.80000114.3C1166 A1167 S1168S1164-C1166 PolarHBondContact O-N 3.38Å; S1164-A1167 PolarHBondContact O-N 3.03Å; S1164-S1168 VanDerWaalsContact O-CB 3.29Å; S1164-S1168 WeakPolarHBondContact O-CB 3.26Å; S1164-S1168 PolarHBondContact O-N 2.99Å; S1164-S1168 PolarHBondContact O-OG 3.17Å
1165L26.2Very low28.6Very low111 Ų11191.8 Ų91.858%0.58152%0.52SS*.THydrogen-bonded Turntrans-68.5-30.8-177.4-97.8139.8000114.8I1169L1165-I1169 WeakPolarHBondContact O-CD1 3.49Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.14Å
1166C27.1Very low28.7Very low115 Ų11595.2 Ų95.278%0.77754%0.541SS*.THydrogen-bonded Turntrans-95-17.4172.8-82.80000113.9S1164S1164-C1166 PolarHBondContact O-N 3.38Å
1167A27.5Very low29.1Very low63 Ų63102.9 Ų102.952%0.52157%0.567SS.*THydrogen-bonded Turntrans-88.9-35.5179.600000112.4S1164S1164-A1167 PolarHBondContact O-N 3.03Å
1168S28.2Very low29.9Very low37 Ų37108 Ų10826%0.25959%0.587SS.*G310 helixtrans-76.8-24.8179.9-70.60000113.7S1164 R1170 S1171 E1529S1164-S1168 VanDerWaalsContact O-CB 3.29Å; S1164-S1168 WeakPolarHBondContact O-CB 3.26Å; S1164-S1168 PolarHBondContact O-N 2.99Å; S1164-S1168 PolarHBondContact O-OG 3.17Å; S1168-R1170 PolarHBondContact O-N 3.43Å; S1168-S1171 PolarHBondContact O-N 3.03Å; S1168-E1529 WeakPolarHBondContact CB-OE1 3.24Å; S1168-E1529 PolarHBondContact OG-OE1 2.87Å
1169I30.6Very low30.8Very low140 Ų140103.5 Ų103.572%0.71856%0.564SS**G310 helixtrans-66.7-22.1176.2-64.5174.8000111.8L1165L1165-I1169 WeakPolarHBondContact O-CD1 3.49Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.14Å
1170R28.9Very low32Very low224 Ų224104.4 Ų104.485%0.84557%0.572SS**G310 helixtrans-99.7-8.6-176.9-69.5-173.6180-170.31.2115S1168S1168-R1170 PolarHBondContact O-N 3.43Å
1171S25.3Very low33.3Very low93 Ų93104.1 Ų104.165%0.6557%0.565SS**THydrogen-bonded Turntrans-104.5-13.9-162.8-175.10000116.6S1168S1168-S1171 PolarHBondContact O-N 3.03Å
1172T25.4Very low35.2Very low100 Ų100102 Ų10261%0.61356%0.561SS**SBendtrans-145.577.2-169.246.90000113.5
1173S32.2Very low37.5Very low75 Ų75101.3 Ų101.352%0.52456%0.56SS.*  trans-171.8108.7144.1172.40000109.3D1175S1173-D1175 PolarHBondContact OG-N 3.33Å; S1173-D1175 VanDerWaalsContact OG-N 3.09Å; S1173-D1175 PolarHBondContact OG-O 2.69Å
1174S30.3Very low40Very low119 Ų11997.1 Ų97.183%0.83253%0.531SS*.  trans-83.26.9163.5550000112.6
1175D30.3Very low42.4Very low131 Ų13194.9 Ų94.970%0.70152%0.517SS*.SBendtrans-10799178.8-72.6-31.8000109.6S1173S1173-D1175 PolarHBondContact OG-N 3.33Å; S1173-D1175 VanDerWaalsContact OG-N 3.09Å; S1173-D1175 PolarHBondContact OG-O 2.69Å
1176V35.4Very low45Very low118 Ų11889.6 Ų89.672%0.71549%0.49SS*.  trans39.488.7167.2-167.70000114.8K1178V1176-K1178 PolarHBondContact O-N 3.47Å
1177R40.5Very low47.5Very low179 Ų17985.9 Ų85.968%0.67546%0.461SS*.  trans-55.595.8164.3-66.7-177.4-172.4166.91.5109.6L1179R1177-L1179 PolarHBondContact O-N 3.34Å
1178K46.7Very low50.1Low124 Ų12483.9 Ų83.954%0.53944%0.441SS..  trans-67.6109.5165.5-83-175.3175.7-178.60107.3L853 V1176 T1180L853-K1178 VanDerWaalsContact CD2-NZ 3.3Å; V1176-K1178 PolarHBondContact O-N 3.47Å; K1178-T1180 PolarHBondContact O-N 2.86Å; K1178-T1180 VanDerWaalsContact O-N 3.13Å
1179L49.3Very low52.4Low32 Ų3284.4 Ų84.417%0.16844%0.439CS..  trans-54.1116.3172.1-70.7161.6000108.2R1177 F1181 D1234R1177-L1179 PolarHBondContact O-N 3.34Å; L1179-F1181 HydrophobicContact CB-CD2 4.45Å; L1179-F1181 HydrophobicContact CB-CE2 3.6Å; L1179-F1181 HydrophobicContact CB-CZ 3.66Å; L1179-F1181 HydrophobicContact CD1-CZ 4.18Å; L1179-F1181 HydrophobicContact CG-CZ 4.44Å; L1179-D1234 HydrophobicContact CD2-CB 3.56Å; L1179-D1234 WeakPolarHBondContact CD2-OD2 3.23Å
1180T52.5Low54.7Low73 Ų7378.8 Ų78.845%0.44841%0.411SS..  trans-93.4125.6175.644.60000108.8K1178 N1233K1178-T1180 PolarHBondContact O-N 2.86Å; K1178-T1180 VanDerWaalsContact O-N 3.13Å; T1180-N1233 PolarHBondContact O-N 2.9Å; T1180-N1233 VanDerWaalsContact O-N 3.07Å; T1180-N1233 PolarHBondContact OG1-ND2 2.95Å
1181F56.5Low57Low62 Ų6269.2 Ų69.227%0.27238%0.376SS..EExtended strand (participates in β ladder)trans-111.6139.3-177.6-64.1-77.5000110.4H154 M155 L1179 I1231H154-F1181 AromaticContact CD2-CE1 3.85Å; H154-F1181 AromaticContact NE2-CE1 3.9Å; M155-F1181 HydrophobicContact CB-CE2 4.44Å; M155-F1181 HydrophobicContact CB-CZ 4.3Å; L1179-F1181 HydrophobicContact CB-CD2 4.45Å; L1179-F1181 HydrophobicContact CB-CE2 3.6Å; L1179-F1181 HydrophobicContact CB-CZ 3.66Å; L1179-F1181 HydrophobicContact CD1-CZ 4.18Å; L1179-F1181 HydrophobicContact CG-CZ 4.44Å; F1181-I1231 WeakPolarHBondContact CA-O 3.15Å
1182T67.2Low59.7Low69 Ų6966.3 Ų66.342%0.42335%0.354SS..EExtended strand (participates in β ladder)trans-112.5152.7170.158.10000109.3S1230 I1231T1182-S1230 WeakPolarHBondContact O-CA 3.31Å; T1182-I1231 PolarHBondContact N-O 3.36Å; T1182-I1231 PolarHBondContact O-N 3.44Å; T1182-I1231 PolarHBondContact OG1-O 2.91Å
1183Y72.2Confident62.3Low95 Ų9564.8 Ų64.837%0.37334%0.342SS..  trans-144.5154.5176.855.6-93.6000109.9M1188 K1226Y1183-M1188 HydrophobicContact CD2-CG 3.81Å; Y1183-M1188 HydrophobicContact CG-CG 4.41Å; Y1183-K1226 HydrophobicContact CD1-CD 4.06Å; Y1183-K1226 HydrophobicContact CE1-CD 3.66Å; Y1183-K1226 PolarHBondContact OH-NZ 2.86Å
1184N79.4Confident64.4Low16 Ų1662.3 Ų62.39%0.08632%0.323CS..  trans-82.2117.5175.8-172.5-55.1000109.4Y1104 Y1107 V1186 E1187 M1188Y1104-N1184 HydrophobicContact CD2-CB 4.01Å; Y1104-N1184 VanDerWaalsContact CD2-CG 3.48Å; Y1104-N1184 WeakPolarHBondContact CD2-ND2 3.18Å; Y1104-N1184 HydrophobicContact CE2-CB 3.5Å; Y1104-N1184 VanDerWaalsContact CE2-CB 3.5Å; Y1104-N1184 VanDerWaalsContact CE2-CG 3.49Å; Y1104-N1184 VanDerWaalsContact CE2-ND2 3.32Å; Y1104-N1184 WeakPolarHBondContact CE2-ND2 3.15Å; Y1104-N1184 PolarHBondContact O-ND2 3.17Å; Y1107-N1184 HydrophobicContact CD1-CB 4.37Å; N1184-V1186 VanDerWaalsContact C-N 3.33Å; N1184-V1186 PolarHBondContact O-N 3.19Å; N1184-V1186 WeakPolarHBondContact OD1-CA 3.48Å; N1184-V1186 VanDerWaalsContact OD1-CB 3.31Å; N1184-V1186 WeakPolarHBondContact OD1-CB 3.22Å; N1184-V1186 PolarHBondContact OD1-N 2.74Å; N1184-E1187 HydrophobicContact CB-CB 4.11Å; N1184-E1187 PolarHBondContact OD1-N 3.45Å; N1184-E1187 VanDerWaalsContact OD1-N 3.09Å; N1184-M1188 WeakPolarHBondContact O-CB 3.39Å; N1184-M1188 WeakPolarHBondContact O-CG 3.29Å; N1184-M1188 PolarHBondContact O-N 3.08Å
1185A79.4Confident67Low17 Ų1756.7 Ų56.714%0.1428%0.284CS..Hα-helixtrans-69.6-31.4-176.400000112.8Y1107 W1124 M1188 Q1189Y1107-A1185 HydrophobicContact CE1-CB 4.17Å; Y1107-A1185 HydrophobicContact CE2-CB 3.98Å; Y1107-A1185 VanDerWaalsContact OH-CB 3.31Å; Y1107-A1185 WeakPolarHBondContact OH-CB 3.21Å; W1124-A1185 HydrophobicContact CE3-CB 4.08Å; W1124-A1185 HydrophobicContact CH2-CB 3.74Å; W1124-A1185 HydrophobicContact CZ3-CB 3.47Å; W1124-A1185 VanDerWaalsContact CZ3-CB 3.47Å; A1185-M1188 PolarHBondContact O-N 3.22Å; A1185-Q1189 WeakPolarHBondContact O-CB 3.25Å; A1185-Q1189 PolarHBondContact O-N 3.15Å
1186V80.4Confident69.5Low0 Ų054.1 Ų54.10%027%0.266CS..Hα-helixtrans-65.6-48.9177.4-178.80000110R1103 Y1107 T1120 W1124 N1184 M1188 Q1189 D1190R1103-V1186 HydrophobicContact CG-CG1 3.53Å; R1103-V1186 VanDerWaalsContact CZ-CG1 3.44Å; Y1107-V1186 HydrophobicContact CD2-CG2 3.69Å; Y1107-V1186 HydrophobicContact CE2-CG2 4.48Å; Y1107-V1186 HydrophobicContact CG-CG2 3.91Å; T1120-V1186 HydrophobicContact CG2-CG2 3.91Å; W1124-V1186 HydrophobicContact CZ2-CB 4.38Å; W1124-V1186 HydrophobicContact CZ2-CG2 3.58Å; N1184-V1186 VanDerWaalsContact C-N 3.33Å; N1184-V1186 PolarHBondContact O-N 3.19Å; N1184-V1186 WeakPolarHBondContact OD1-CA 3.48Å; N1184-V1186 VanDerWaalsContact OD1-CB 3.31Å; N1184-V1186 WeakPolarHBondContact OD1-CB 3.22Å; N1184-V1186 PolarHBondContact OD1-N 2.74Å; V1186-M1188 PolarHBondContact O-N 2.89Å; V1186-Q1189 PolarHBondContact O-N 3.04Å; V1186-D1190 VanDerWaalsContact O-CG 3.27Å; V1186-D1190 PolarHBondContact O-N 2.74Å
1187E80Confident71.6Confident36 Ų3650.8 Ų50.817%0.16824%0.243CC..Hα-helixtrans-61.9-43.6175.5172.4166-111.300112.6K109 Y1104 N1184 Q1189 D1190 I1191 Y1229K109-E1187 WeakPolarHBondContact CE-OE1 3.5Å; K109-E1187 WeakPolarHBondContact CE-OE2 3.43Å; K109-E1187 IonicContact NZ-OE1 3.43Å; K109-E1187 PolarHBondContact NZ-OE1 3.06Å; K109-E1187 IonicContact NZ-OE2 3.42Å; K109-E1187 PolarHBondContact NZ-OE2 3.42Å; Y1104-E1187 HydrophobicContact CD2-CB 3.79Å; Y1104-E1187 HydrophobicContact CE2-CB 3.96Å; Y1104-E1187 HydrophobicContact CE2-CG 4.49Å; Y1104-E1187 WeakPolarHBondContact CE2-OE2 3.3Å; N1184-E1187 HydrophobicContact CB-CB 4.11Å; N1184-E1187 PolarHBondContact OD1-N 3.45Å; N1184-E1187 VanDerWaalsContact OD1-N 3.09Å; E1187-Q1189 VanDerWaalsContact C-N 3.27Å; E1187-Q1189 PolarHBondContact O-N 3.11Å; E1187-D1190 PolarHBondContact O-N 3.32Å; E1187-I1191 WeakPolarHBondContact O-CB 3.17Å; E1187-I1191 WeakPolarHBondContact O-CG2 3.28Å; E1187-I1191 PolarHBondContact O-N 3.46Å; E1187-Y1229 HydrophobicContact CG-CD1 4.47Å
1188M80.5Confident73.6Confident21 Ų2142.3 Ų42.310%0.10321%0.211CC..Hα-helixtrans-61.9-37.5178.2-80.2-64.9-61.800112Y1183 N1184 A1185 V1186 T1192 I1224 K1226 Y1229Y1183-M1188 HydrophobicContact CD2-CG 3.81Å; Y1183-M1188 HydrophobicContact CG-CG 4.41Å; N1184-M1188 WeakPolarHBondContact O-CB 3.39Å; N1184-M1188 WeakPolarHBondContact O-CG 3.29Å; N1184-M1188 PolarHBondContact O-N 3.08Å; A1185-M1188 PolarHBondContact O-N 3.22Å; V1186-M1188 PolarHBondContact O-N 2.89Å; M1188-T1192 WeakPolarHBondContact O-CB 3.45Å; M1188-T1192 PolarHBondContact O-N 3.01Å; M1188-T1192 VanDerWaalsContact O-N 3.11Å; M1188-T1192 PolarHBondContact O-OG1 3.01Å; M1188-I1224 HydrophobicContact CE-CB 3.97Å; M1188-I1224 HydrophobicContact CE-CG2 3.8Å; M1188-I1224 HydrophobicContact SD-CG2 4.08Å; M1188-K1226 HydrophobicContact CE-CG 4.18Å; M1188-Y1229 HydrophobicContact SD-CD2 3.85Å; M1188-Y1229 HydrophobicContact SD-CG 3.99Å
1189Q78.5Confident75.5Confident49 Ų4936.6 Ų36.623%0.22919%0.186CC..Hα-helixtrans-66-52.3175-176.8179.6-5.400110.7A1185 V1186 E1187 I1191 T1192 D1193A1185-Q1189 WeakPolarHBondContact O-CB 3.25Å; A1185-Q1189 PolarHBondContact O-N 3.15Å; V1186-Q1189 PolarHBondContact O-N 3.04Å; E1187-Q1189 VanDerWaalsContact C-N 3.27Å; E1187-Q1189 PolarHBondContact O-N 3.11Å; Q1189-I1191 PolarHBondContact O-N 3.39Å; Q1189-T1192 PolarHBondContact O-N 3.35Å; Q1189-D1193 PolarHBondContact O-N 3.19Å
1190D77.1Confident77.2Confident22 Ų2239.5 Ų39.512%0.11820%0.199CC..Hα-helixtrans-57.9-47.7-177.6-68.5-15.7000111.1R1103 V1186 E1187 T1192 D1193 L1194R1103-D1190 IonicContact CZ-OD1 3.91Å; R1103-D1190 IonicContact CZ-OD2 3.46Å; R1103-D1190 IonicContact NE-OD1 3.76Å; R1103-D1190 IonicContact NE-OD2 3.35Å; R1103-D1190 PolarHBondContact NE-OD2 2.95Å; R1103-D1190 IonicContact NH2-OD1 2.7Å; R1103-D1190 PolarHBondContact NH2-OD1 2.75Å; R1103-D1190 IonicContact NH2-OD2 2.72Å; R1103-D1190 PolarHBondContact NH2-OD2 3.24Å; V1186-D1190 VanDerWaalsContact O-CG 3.27Å; V1186-D1190 PolarHBondContact O-N 2.74Å; E1187-D1190 PolarHBondContact O-N 3.32Å; D1190-T1192 PolarHBondContact O-N 3.01Å; D1190-D1193 PolarHBondContact O-N 2.97Å; D1190-L1194 WeakPolarHBondContact O-CB 3.49Å; D1190-L1194 WeakPolarHBondContact O-CD1 3.4Å; D1190-L1194 VanDerWaalsContact O-CG 3.23Å; D1190-L1194 WeakPolarHBondContact O-CG 3.29Å; D1190-L1194 PolarHBondContact O-N 3.47Å
1191I78.1Confident78.5Confident23 Ų2339 Ų3912%0.11819%0.191CC..Hα-helixtrans-71.5-31.4-178.4-154143000112.7E1187 Q1189 C1195 I1224 Y1229E1187-I1191 WeakPolarHBondContact O-CB 3.17Å; E1187-I1191 WeakPolarHBondContact O-CG2 3.28Å; E1187-I1191 PolarHBondContact O-N 3.46Å; Q1189-I1191 PolarHBondContact O-N 3.39Å; I1191-C1195 VanDerWaalsContact O-CB 3.29Å; I1191-C1195 WeakPolarHBondContact O-CB 3.44Å; I1191-C1195 PolarHBondContact O-N 3.46Å; I1191-C1195 PolarHBondContact O-SG 3.15Å; I1191-I1224 HydrophobicContact CG2-CG1 4.2Å; I1191-I1224 HydrophobicContact CG2-CG2 4.49Å; I1191-Y1229 HydrophobicContact CD1-CE1 3.61Å; I1191-Y1229 WeakPolarHBondContact CD1-OH 3.46Å
1192T82.8Confident79.9Confident32 Ų3236 Ų3620%0.19618%0.179CC..Hα-helixtrans-68.1-44.3174.9-63.40000111M1188 Q1189 D1190 L1194 C1195 K1196 L1223M1188-T1192 WeakPolarHBondContact O-CB 3.45Å; M1188-T1192 PolarHBondContact O-N 3.01Å; M1188-T1192 VanDerWaalsContact O-N 3.11Å; M1188-T1192 PolarHBondContact O-OG1 3.01Å; Q1189-T1192 PolarHBondContact O-N 3.35Å; D1190-T1192 PolarHBondContact O-N 3.01Å; T1192-L1194 VanDerWaalsContact C-N 3.32Å; T1192-L1194 PolarHBondContact O-N 3.42Å; T1192-C1195 PolarHBondContact O-N 3.44Å; T1192-K1196 WeakPolarHBondContact O-CB 3.35Å; T1192-K1196 PolarHBondContact O-N 3.42Å; T1192-L1223 HydrophobicContact CG2-CB 4.2Å
1193D78.7Confident80.7Confident68 Ų6834 Ų3436%0.36417%0.166SC..Hα-helixtrans-65.8-36.5178.7-74.4-22.1000111.4Q1189 D1190 Q1197Q1189-D1193 PolarHBondContact O-N 3.19Å; D1190-D1193 PolarHBondContact O-N 2.97Å; D1193-Q1197 WeakPolarHBondContact O-CG 3.4Å; D1193-Q1197 PolarHBondContact O-N 2.63Å; D1193-Q1197 PolarHBondContact O-NE2 2.82Å
1194L77.3Confident81Confident22 Ų2231.8 Ų31.812%0.11517%0.167CC..Hα-helixtrans-69.4-48174.5-71.2168.6000112.3I1043 D1190 T1192 K1196 Q1197 A1198I1043-L1194 HydrophobicContact CG1-CD1 4.31Å; I1043-L1194 HydrophobicContact CG1-CD2 4.19Å; I1043-L1194 HydrophobicContact CG2-CB 4.5Å; I1043-L1194 HydrophobicContact CG2-CD1 4.16Å; D1190-L1194 WeakPolarHBondContact O-CB 3.49Å; D1190-L1194 WeakPolarHBondContact O-CD1 3.4Å; D1190-L1194 VanDerWaalsContact O-CG 3.23Å; D1190-L1194 WeakPolarHBondContact O-CG 3.29Å; D1190-L1194 PolarHBondContact O-N 3.47Å; T1192-L1194 VanDerWaalsContact C-N 3.32Å; T1192-L1194 PolarHBondContact O-N 3.42Å; L1194-K1196 PolarHBondContact O-N 3.39Å; L1194-Q1197 PolarHBondContact O-N 3.37Å; L1194-Q1197 VanDerWaalsContact O-N 3.17Å; L1194-A1198 PolarHBondContact O-N 3.08Å
1195C83.7Confident80.6Confident1 Ų131.8 Ų31.81%0.00717%0.17CC..Hα-helixtrans-64-32.3178.6-70.70000111.9I1191 T1192 A1198 L1199 L1223 I1224I1191-C1195 VanDerWaalsContact O-CB 3.29Å; I1191-C1195 WeakPolarHBondContact O-CB 3.44Å; I1191-C1195 PolarHBondContact O-N 3.46Å; I1191-C1195 PolarHBondContact O-SG 3.15Å; T1192-C1195 PolarHBondContact O-N 3.44Å; C1195-A1198 PolarHBondContact O-N 3.5Å; C1195-L1199 WeakPolarHBondContact O-CB 3.44Å; C1195-L1199 PolarHBondContact O-N 2.78Å; C1195-L1223 HydrophobicContact CB-CD2 3.48Å; C1195-L1223 VanDerWaalsContact CB-CD2 3.48Å; C1195-L1223 HydrophobicContact CB-CG 4.32Å; C1195-I1224 HydrophobicContact CB-CD1 4.06Å
1196K82.7Confident80.2Confident78 Ų7834 Ų3434%0.33918%0.179SC..Hα-helixtrans-60.9-50.1172.8-178.1-176.2171.8-174.20111T1192 L1194 A1198 L1199 E1200 F1219 L1223T1192-K1196 WeakPolarHBondContact O-CB 3.35Å; T1192-K1196 PolarHBondContact O-N 3.42Å; L1194-K1196 PolarHBondContact O-N 3.39Å; K1196-A1198 PolarHBondContact O-N 3.38Å; K1196-L1199 PolarHBondContact O-N 2.93Å; K1196-E1200 WeakPolarHBondContact CE-OE1 3.45Å; K1196-E1200 WeakPolarHBondContact O-CG 3.28Å; K1196-E1200 PolarHBondContact O-N 2.95Å; K1196-F1219 HydrophobicContact CD-CD2 4.04Å; K1196-F1219 HydrophobicContact CD-CE2 4.08Å; K1196-F1219 HydrophobicContact CG-CD2 4.11Å; K1196-F1219 HydrophobicContact CG-CE2 3.75Å; K1196-L1223 HydrophobicContact CB-CD2 4.32Å
1197Q79.3Confident79.3Confident48 Ų4839.1 Ų39.122%0.22421%0.206CC..Hα-helixtrans-64.3-40.8179-69.6166.769.900111.7L41 D1193 L1194 L1199 E1200 Q1201L41-Q1197 HydrophobicContact CD1-CB 3.39Å; L41-Q1197 HydrophobicContact CD1-CG 4.16Å; L41-Q1197 VanDerWaalsContact CD1-OE1 3.26Å; D1193-Q1197 WeakPolarHBondContact O-CG 3.4Å; D1193-Q1197 PolarHBondContact O-N 2.63Å; D1193-Q1197 PolarHBondContact O-NE2 2.82Å; L1194-Q1197 PolarHBondContact O-N 3.37Å; L1194-Q1197 VanDerWaalsContact O-N 3.17Å; Q1197-L1199 VanDerWaalsContact C-N 3.33Å; Q1197-L1199 PolarHBondContact O-N 2.85Å; Q1197-E1200 PolarHBondContact O-N 3.13Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.33Å; Q1197-Q1201 PolarHBondContact O-N 3.18Å
1198A83.8Confident77.8Confident0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-63.6-37.9176.200000112.3L1034 L1037 I1038 L1194 C1195 K1196 Q1201 S1202L1034-A1198 HydrophobicContact CD1-CB 3.73Å; L1037-A1198 HydrophobicContact CB-CB 4.04Å; L1037-A1198 HydrophobicContact CD1-CB 4.35Å; I1038-A1198 HydrophobicContact CD1-CB 4.45Å; I1038-A1198 HydrophobicContact CG1-CB 3.88Å; L1194-A1198 PolarHBondContact O-N 3.08Å; C1195-A1198 PolarHBondContact O-N 3.5Å; K1196-A1198 PolarHBondContact O-N 3.38Å; A1198-Q1201 PolarHBondContact O-N 3.47Å; A1198-S1202 WeakPolarHBondContact O-CB 3.41Å; A1198-S1202 PolarHBondContact O-N 2.86Å
1199L86.8Confident75.9Confident4 Ų446.9 Ų46.92%0.02126%0.261CS..Hα-helixtrans-64.7-45.1175.4-174.465.7000111.4V248 V251 L253 L1034 C1195 K1196 Q1197 Q1201 S1202 V1203 F1219 L1223V248-L1199 HydrophobicContact CG1-CD2 4.16Å; V251-L1199 HydrophobicContact CB-CD1 4.14Å; V251-L1199 HydrophobicContact CG1-CD1 4.13Å; V251-L1199 HydrophobicContact CG2-CD1 4.29Å; V251-L1199 HydrophobicContact CG2-CD2 4.2Å; V251-L1199 HydrophobicContact CG2-CG 4.22Å; L253-L1199 HydrophobicContact CD1-CD1 4.25Å; L1034-L1199 HydrophobicContact CD1-CB 4.33Å; L1034-L1199 HydrophobicContact CD2-CD1 4.09Å; C1195-L1199 WeakPolarHBondContact O-CB 3.44Å; C1195-L1199 PolarHBondContact O-N 2.78Å; K1196-L1199 PolarHBondContact O-N 2.93Å; Q1197-L1199 VanDerWaalsContact C-N 3.33Å; Q1197-L1199 PolarHBondContact O-N 2.85Å; L1199-Q1201 VanDerWaalsContact C-N 3.31Å; L1199-Q1201 PolarHBondContact O-N 3.43Å; L1199-S1202 PolarHBondContact O-N 2.65Å; L1199-S1202 VanDerWaalsContact O-N 3.11Å; L1199-S1202 PolarHBondContact O-OG 2.96Å; L1199-V1203 PolarHBondContact O-N 3.27Å; L1199-F1219 HydrophobicContact CD2-CE1 4.42Å; L1199-F1219 HydrophobicContact CD2-CZ 4.28Å; L1199-L1223 HydrophobicContact CD2-CD1 4.32Å
1200E84.2Confident74.1Confident93 Ų9347.7 Ų47.744%0.43528%0.282SS..Hα-helixtrans-58.8-42.3175.7-71169.3-174.400111.8K1196 Q1197 S1202 V1203 A1204K1196-E1200 WeakPolarHBondContact CE-OE1 3.45Å; K1196-E1200 WeakPolarHBondContact O-CG 3.28Å; K1196-E1200 PolarHBondContact O-N 2.95Å; Q1197-E1200 PolarHBondContact O-N 3.13Å; E1200-S1202 VanDerWaalsContact C-N 3.35Å; E1200-V1203 PolarHBondContact O-N 2.9Å; E1200-A1204 PolarHBondContact O-N 3.39Å; E1200-A1204 VanDerWaalsContact O-N 3.15Å
1201Q81Confident72.3Confident62 Ų6252.9 Ų52.929%0.2932%0.32SS..Hα-helixtrans-68-32.5175.5-66.4-58.4-44.100112.8L41 L1037 Q1197 A1198 L1199 V1203 A1204 A1205L41-Q1201 HydrophobicContact CB-CG 4.31Å; L1037-Q1201 HydrophobicContact CD1-CB 3.64Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.33Å; Q1197-Q1201 PolarHBondContact O-N 3.18Å; A1198-Q1201 PolarHBondContact O-N 3.47Å; L1199-Q1201 VanDerWaalsContact C-N 3.31Å; L1199-Q1201 PolarHBondContact O-N 3.43Å; Q1201-V1203 VanDerWaalsContact C-N 3.3Å; Q1201-V1203 PolarHBondContact O-N 2.85Å; Q1201-A1204 PolarHBondContact O-N 2.75Å; Q1201-A1205 PolarHBondContact O-N 2.97Å; Q1201-A1205 VanDerWaalsContact O-N 3.11Å
1202S84.9Confident70.4Confident0 Ų055.9 Ų55.90%035%0.348CS..Hα-helixtrans-68.4-29177.478.20000113.3H1030 A1198 L1199 E1200H1030-S1202 PolarHBondContact N-O 3.48Å; A1198-S1202 WeakPolarHBondContact O-CB 3.41Å; A1198-S1202 PolarHBondContact O-N 2.86Å; L1199-S1202 PolarHBondContact O-N 2.65Å; L1199-S1202 VanDerWaalsContact O-N 3.11Å; L1199-S1202 PolarHBondContact O-OG 2.96Å; E1200-S1202 VanDerWaalsContact C-N 3.35Å
1203V84.6Confident68.5Low27 Ų2765.5 Ų65.516%0.16438%0.381CS..Hα-helixtrans-75.2-44.7173.1176.80000109.8V251 C1027 L1199 E1200 Q1201 A1205 I1206 D1207V251-V1203 HydrophobicContact CB-CG2 4.41Å; V251-V1203 HydrophobicContact CG1-CG2 3.6Å; V251-V1203 HydrophobicContact CG2-CG2 3.85Å; C1027-V1203 HydrophobicContact CB-CG1 4.34Å; L1199-V1203 PolarHBondContact O-N 3.27Å; E1200-V1203 PolarHBondContact O-N 2.9Å; Q1201-V1203 VanDerWaalsContact C-N 3.3Å; Q1201-V1203 PolarHBondContact O-N 2.85Å; V1203-A1205 PolarHBondContact O-N 2.98Å; V1203-A1205 VanDerWaalsContact O-N 3.11Å; V1203-I1206 PolarHBondContact O-N 3.33Å; V1203-D1207 PolarHBondContact O-N 2.9Å
1204A78.2Confident66.8Low48 Ų4871.8 Ų71.840%0.39741%0.408SS..Hα-helixtrans-60.4-22.3177.200000113.7E1200 Q1201E1200-A1204 PolarHBondContact O-N 3.39Å; E1200-A1204 VanDerWaalsContact O-N 3.15Å; Q1201-A1204 PolarHBondContact O-N 2.75Å
1205A71.4Confident65.1Low17 Ų1779 Ų7914%0.1444%0.441CS..THydrogen-bonded Turntrans-71.4-2817600000113.7V1033 Q1201 V1203V1033-A1205 HydrophobicContact CG1-CB 4.37Å; V1033-A1205 HydrophobicContact CG2-CB 4.46Å; Q1201-A1205 PolarHBondContact O-N 2.97Å; Q1201-A1205 VanDerWaalsContact O-N 3.11Å; V1203-A1205 PolarHBondContact O-N 2.98Å; V1203-A1205 VanDerWaalsContact O-N 3.11Å
1206I71.3Confident63.2Low64 Ų6483.3 Ų83.333%0.32848%0.476SS..THydrogen-bonded Turntrans-88.7-43.8-179.8-62.9-169.7000110.9E1028 H1030 V1203 S1208E1028-I1206 HydrophobicContact CB-CD1 4.23Å; H1030-I1206 HydrophobicContact CB-CD1 4.11Å; H1030-I1206 HydrophobicContact CB-CG1 4.06Å; V1203-I1206 PolarHBondContact O-N 3.33Å; I1206-S1208 VanDerWaalsContact C-N 3.29Å; I1206-S1208 PolarHBondContact O-N 3.36Å
1207D59.8Low61.5Low107 Ų10783.5 Ų83.557%0.57248%0.484SS*.  trans-81.772.9-177-79.6-26.5000111.9V1203 V1209V1203-D1207 PolarHBondContact O-N 2.9Å; D1207-V1209 PolarHBondContact O-N 2.64Å
1208S49.4Very low59.9Low88 Ų8886.7 Ų86.762%0.61551%0.511SS*.  trans-71.511.4-178.6600000115.4I1206I1206-S1208 VanDerWaalsContact C-N 3.29Å; I1206-S1208 PolarHBondContact O-N 3.36Å
1209V39.4Very low58.4Low132 Ų13288.7 Ų88.780%0.852%0.52SS*.SBendtrans-137.6-70.2-160.6-171.80000116D1207 S1211D1207-V1209 PolarHBondContact O-N 2.64Å; V1209-S1211 PolarHBondContact O-N 2.76Å
1210G42.3Very low56.5Low65 Ų6594.5 Ų94.567%0.6756%0.561SS**  trans-95.397.6-15700000115.4A1212G1210-A1212 VanDerWaalsContact C-N 3.26Å; G1210-A1212 PolarHBondContact O-N 3.09Å
1211S38.1Very low55.1Low132 Ų13295.2 Ų95.292%0.92357%0.565SS**  trans-63.775.8164.1-83.30000112.2V1209V1209-S1211 PolarHBondContact O-N 2.76Å
1212A37.9Very low54.5Low86 Ų8695.5 Ų95.571%0.71158%0.578SS**  trans-173.869.2162.500000112.3G1210G1210-A1212 VanDerWaalsContact C-N 3.26Å; G1210-A1212 PolarHBondContact O-N 3.09Å
1213R43.3Very low54.3Low234 Ų23495.7 Ų95.788%0.88358%0.578SS**  trans-176.861.5155.8-101.7161.9-166.5-163.74.8110.2E1215R1213-E1215 VanDerWaalsContact C-N 3.32Å
1214Q43.7Very low54.4Low199 Ų19994.5 Ų94.593%0.9357%0.571SS**  trans-101.652170-143.5171.82800108.6A1216Q1214-A1216 PolarHBondContact O-N 3.13Å
1215E41.4Very low54.9Low175 Ų17593.8 Ų93.882%0.81856%0.561SS**  trans-73.6121.2163.1-81-175.9168.100106.8R1213 V1217R1213-E1215 VanDerWaalsContact C-N 3.32Å; E1215-V1217 PolarHBondContact O-N 3.33Å
1216A43.9Very low55.6Low90 Ų9097.4 Ų97.474%0.74457%0.573SS**  trans-53.5106.2-177.300000109.6Q1214 S1218Q1214-A1216 PolarHBondContact O-N 3.13Å; A1216-S1218 VanDerWaalsContact C-N 3.31Å; A1216-S1218 PolarHBondContact O-N 3.3Å; A1216-S1218 PolarHBondContact O-OG 2.88Å
1217V47.6Very low56.4Low83 Ų8395 Ų9550%0.50356%0.56SS.*  trans-5999.7173.4-173.90000106.9E1215 F1219E1215-V1217 PolarHBondContact O-N 3.33Å; V1217-F1219 HydrophobicContact CB-CD1 4.5Å; V1217-F1219 HydrophobicContact CB-CE1 3.99Å; V1217-F1219 HydrophobicContact CB-CE2 4.22Å; V1217-F1219 HydrophobicContact CB-CZ 3.82Å; V1217-F1219 HydrophobicContact CG1-CD1 3.64Å; V1217-F1219 HydrophobicContact CG1-CE1 3.26Å; V1217-F1219 HydrophobicContact CG1-CE2 4.32Å; V1217-F1219 HydrophobicContact CG1-CG 4.39Å; V1217-F1219 HydrophobicContact CG1-CZ 3.65Å; V1217-F1219 WeakPolarHBondContact O-CD2 2.9Å; V1217-F1219 WeakPolarHBondContact O-CE2 3.49Å; V1217-F1219 PolarHBondContact O-N 2.95Å
1218S45.9Very low57.6Low114 Ų11490 Ų9080%0.79753%0.533SS*.  trans-82.1100.3-178.4-73.40000107.8A1216 S1220A1216-S1218 VanDerWaalsContact C-N 3.31Å; A1216-S1218 PolarHBondContact O-N 3.3Å; A1216-S1218 PolarHBondContact O-OG 2.88Å; S1218-S1220 PolarHBondContact O-N 3.18Å
1219F51.4Low59.3Low43 Ų4386.2 Ų86.219%0.18951%0.506CS..  trans-83103.4-175.3-57-70.1000111.4R249 K1196 L1199 V1217R249-F1219 HydrophobicContact CB-CD1 3.78Å; R249-F1219 HydrophobicContact CB-CE1 3.93Å; R249-F1219 HydrophobicContact CG-CD1 4.19Å; R249-F1219 VanDerWaalsContact NH1-CB 3.33Å; K1196-F1219 HydrophobicContact CD-CD2 4.04Å; K1196-F1219 HydrophobicContact CD-CE2 4.08Å; K1196-F1219 HydrophobicContact CG-CD2 4.11Å; K1196-F1219 HydrophobicContact CG-CE2 3.75Å; L1199-F1219 HydrophobicContact CD2-CE1 4.42Å; L1199-F1219 HydrophobicContact CD2-CZ 4.28Å; V1217-F1219 HydrophobicContact CB-CD1 4.5Å; V1217-F1219 HydrophobicContact CB-CE1 3.99Å; V1217-F1219 HydrophobicContact CB-CE2 4.22Å; V1217-F1219 HydrophobicContact CB-CZ 3.82Å; V1217-F1219 HydrophobicContact CG1-CD1 3.64Å; V1217-F1219 HydrophobicContact CG1-CE1 3.26Å; V1217-F1219 HydrophobicContact CG1-CE2 4.32Å; V1217-F1219 HydrophobicContact CG1-CG 4.39Å; V1217-F1219 HydrophobicContact CG1-CZ 3.65Å; V1217-F1219 WeakPolarHBondContact O-CD2 2.9Å; V1217-F1219 WeakPolarHBondContact O-CE2 3.49Å; V1217-F1219 PolarHBondContact O-N 2.95Å
1220S46.9Very low61.4Low125 Ų12580.2 Ų80.287%0.87447%0.469SS*.  trans-83.6-18.5176.881.30000114.1S1218S1218-S1220 PolarHBondContact O-N 3.18Å
1221Q54.8Low62.9Low109 Ų10980.7 Ų80.751%0.50946%0.455SS..SBendtrans-90.3155.7178.7-63.2170.8-36.200112.9R249 L1223R249-Q1221 VanDerWaalsContact CZ-O 3.31Å; R249-Q1221 PolarHBondContact NE-O 3.11Å; R249-Q1221 VanDerWaalsContact NE-O 3.1Å; R249-Q1221 PolarHBondContact NH2-O 3.3Å; Q1221-L1223 PolarHBondContact O-N 3.01Å
1222A67.4Low64.5Low68 Ų6874.7 Ų74.756%0.56241%0.414SS*.  trans-68.8122.117000000111.6I1224A1222-I1224 VanDerWaalsContact C-N 3.27Å; A1222-I1224 PolarHBondContact O-N 3.15Å
1223L82.2Confident65.6Low3 Ų375.2 Ų75.22%0.01640%0.404CS..SBendtrans-65.6-33.6178.2-168.752.4000112.3I180 S181 V248 R249 T1192 C1195 K1196 L1199 Q1221I180-L1223 HydrophobicContact CG2-CD1 4.48Å; S181-L1223 PolarHBondContact N-O 2.97Å; V248-L1223 HydrophobicContact CG1-CD1 3.69Å; R249-L1223 HydrophobicContact CG-CD1 4.14Å; T1192-L1223 HydrophobicContact CG2-CB 4.2Å; C1195-L1223 HydrophobicContact CB-CD2 3.48Å; C1195-L1223 VanDerWaalsContact CB-CD2 3.48Å; C1195-L1223 HydrophobicContact CB-CG 4.32Å; K1196-L1223 HydrophobicContact CB-CD2 4.32Å; L1199-L1223 HydrophobicContact CD2-CD1 4.32Å; Q1221-L1223 PolarHBondContact O-N 3.01Å
1224I85.6Confident66.6Low2 Ų266.5 Ų66.51%0.0138%0.376CS..BIsolated β-bridgetrans-107128.3-170.6-60.9-64000108.7I180 M1188 I1191 C1195 A1222 Y1229I180-I1224 HydrophobicContact CG1-CD1 4.21Å; M1188-I1224 HydrophobicContact CE-CB 3.97Å; M1188-I1224 HydrophobicContact CE-CG2 3.8Å; M1188-I1224 HydrophobicContact SD-CG2 4.08Å; I1191-I1224 HydrophobicContact CG2-CG1 4.2Å; I1191-I1224 HydrophobicContact CG2-CG2 4.49Å; C1195-I1224 HydrophobicContact CB-CD1 4.06Å; A1222-I1224 VanDerWaalsContact C-N 3.27Å; A1222-I1224 PolarHBondContact O-N 3.15Å; I1224-Y1229 HydrophobicContact CG2-CD2 3.6Å; I1224-Y1229 HydrophobicContact CG2-CE2 3.37Å
1225N88.3Confident67.6Low33 Ų3361 Ų6118%0.17635%0.351CS..  trans-73.1130.1169.3-168.6-52000108.4I174 S179 S181 W1227I174-N1225 HydrophobicContact CD1-CB 4.01Å; I174-N1225 HydrophobicContact CG1-CB 4.07Å; S179-N1225 WeakPolarHBondContact O-CB 3.3Å; S179-N1225 PolarHBondContact O-N 2.95Å; S179-N1225 PolarHBondContact OG-O 3.35Å; S181-N1225 WeakPolarHBondContact OG-CA 3.38Å; S181-N1225 WeakPolarHBondContact OG-CB 3.02Å; S181-N1225 PolarHBondContact OG-N 3.4Å; S181-N1225 VanDerWaalsContact OG-N 3.11Å; N1225-W1227 PolarHBondContact O-N 3.21Å; N1225-W1227 VanDerWaalsContact OD1-CB 3.29Å; N1225-W1227 WeakPolarHBondContact OD1-CB 3.1Å; N1225-W1227 PolarHBondContact OD1-N 3.25Å
1226K85.9Confident68.8Low93 Ų9353 Ų5340%0.40431%0.314SS..G310 helixtrans-66.4-20.7-176.5-62.6-179.6-177.9-176.50112.8Y1183 M1188 G1228 Y1229 S1230Y1183-K1226 HydrophobicContact CD1-CD 4.06Å; Y1183-K1226 HydrophobicContact CE1-CD 3.66Å; Y1183-K1226 PolarHBondContact OH-NZ 2.86Å; M1188-K1226 HydrophobicContact CE-CG 4.18Å; K1226-G1228 VanDerWaalsContact C-N 3.31Å; K1226-G1228 PolarHBondContact O-N 3.33Å; K1226-Y1229 CarbonylContact O-C 3.52Å; K1226-Y1229 PolarHBondContact O-N 2.88Å; K1226-Y1229 VanDerWaalsContact O-N 3.07Å; K1226-S1230 WeakPolarHBondContact O-CB 3.33Å; K1226-S1230 PolarHBondContact O-N 3Å; K1226-S1230 PolarHBondContact O-OG 3.46Å
1227W88.6Confident70.1Confident15 Ų1552.5 Ų52.56%0.05730%0.299CS..G310 helixtrans-50.9-49.6-177.4-169.1102.9000111.8F107 W110 A112 V130 A132 H154 M155 I157 I174 N1225 Y1229 S1230F107-W1227 HydrophobicContact CB-CE3 3.74Å; F107-W1227 HydrophobicContact CB-CZ3 3.68Å; F107-W1227 HydrophobicContact CD2-CE3 4.31Å; F107-W1227 HydrophobicContact CD2-CH2 4.3Å; F107-W1227 AromaticContact CD2-CZ3 3.78Å; F107-W1227 HydrophobicContact CD2-CZ3 3.78Å; F107-W1227 HydrophobicContact CG-CE3 4.25Å; F107-W1227 HydrophobicContact CG-CZ3 4.09Å; W110-W1227 HydrophobicContact CB-CH2 4.39Å; W110-W1227 HydrophobicContact CB-CZ3 3.96Å; A112-W1227 HydrophobicContact CB-CH2 3.58Å; A112-W1227 HydrophobicContact CB-CZ2 4.18Å; V130-W1227 HydrophobicContact CG1-CZ2 3.85Å; A132-W1227 HydrophobicContact CB-CH2 4.21Å; H154-W1227 HydrophobicContact CB-CZ2 3.66Å; H154-W1227 PolarHBondContact CE1-O 3.09Å; H154-W1227 VanDerWaalsContact CE1-O 3.3Å; H154-W1227 AromaticContact CG-CZ2 3.97Å; H154-W1227 AromaticContact ND1-CD2 3.66Å; H154-W1227 AromaticContact ND1-CE2 3.34Å; H154-W1227 VanDerWaalsContact ND1-CE2 3.34Å; H154-W1227 AromaticContact ND1-CZ2 3.57Å; H154-W1227 AromaticContact ND1-NE1 3.68Å; M155-W1227 PolarHBondContact O-NE1 3.03Å; I157-W1227 HydrophobicContact CD1-CD2 3.44Å; I157-W1227 VanDerWaalsContact CD1-CD2 3.44Å; I157-W1227 HydrophobicContact CD1-CE3 3.62Å; I157-W1227 HydrophobicContact CD1-CG 4.12Å; I157-W1227 HydrophobicContact CD1-CH2 3.68Å; I157-W1227 HydrophobicContact CD1-CZ2 3.43Å; I157-W1227 VanDerWaalsContact CD1-CZ2 3.43Å; I157-W1227 HydrophobicContact CD1-CZ3 3.76Å; I157-W1227 HydrophobicContact CG1-CD2 4.16Å; I157-W1227 HydrophobicContact CG1-CZ2 3.85Å; I174-W1227 HydrophobicContact CD1-CB 4.03Å; I174-W1227 HydrophobicContact CD1-CE3 4.48Å; N1225-W1227 PolarHBondContact O-N 3.21Å; N1225-W1227 VanDerWaalsContact OD1-CB 3.29Å; N1225-W1227 WeakPolarHBondContact OD1-CB 3.1Å; N1225-W1227 PolarHBondContact OD1-N 3.25Å; W1227-Y1229 PolarHBondContact O-N 2.89Å; W1227-Y1229 VanDerWaalsContact O-N 3.09Å; W1227-S1230 PolarHBondContact O-N 2.92Å
1228G85.3Confident71.3Confident0 Ų049.9 Ų49.90%028%0.284CS..G310 helixtrans-69-8-177.100000116.3F107 K109 W110 S179 K1226F107-G1228 CarbonylContact O-C 3.46Å; F107-G1228 WeakPolarHBondContact O-CA 3.39Å; K109-G1228 PolarHBondContact N-O 3.42Å; W110-G1228 VanDerWaalsContact CD1-O 3.29Å; S179-G1228 WeakPolarHBondContact OG-CA 3.45Å; S179-G1228 PolarHBondContact OG-N 3.02Å; S179-G1228 VanDerWaalsContact OG-N 3.13Å; K1226-G1228 VanDerWaalsContact C-N 3.31Å; K1226-G1228 PolarHBondContact O-N 3.33Å
1229Y86Confident72.6Confident10 Ų1049.6 Ų49.64%0.03927%0.273CS..G310 helixtrans-126.87.5179.7-55.3-81000112.5G108 K109 W178 E1187 M1188 I1191 I1224 K1226 W1227G108-Y1229 WeakPolarHBondContact CA-OH 3.44Å; K109-Y1229 HydrophobicContact CG-CD1 4.44Å; W178-Y1229 PolarHBondContact O-OH 3.44Å; W178-Y1229 VanDerWaalsContact O-OH 3.12Å; E1187-Y1229 HydrophobicContact CG-CD1 4.47Å; M1188-Y1229 HydrophobicContact SD-CD2 3.85Å; M1188-Y1229 HydrophobicContact SD-CG 3.99Å; I1191-Y1229 HydrophobicContact CD1-CE1 3.61Å; I1191-Y1229 WeakPolarHBondContact CD1-OH 3.46Å; I1224-Y1229 HydrophobicContact CG2-CD2 3.6Å; I1224-Y1229 HydrophobicContact CG2-CE2 3.37Å; K1226-Y1229 CarbonylContact O-C 3.52Å; K1226-Y1229 PolarHBondContact O-N 2.88Å; K1226-Y1229 VanDerWaalsContact O-N 3.07Å; W1227-Y1229 PolarHBondContact O-N 2.89Å; W1227-Y1229 VanDerWaalsContact O-N 3.09Å
1230S82.9Confident73.9Confident5 Ų550.3 Ų50.34%0.03528%0.277CS..PPolyproline II helixtrans-84.1135.3-178.1-74.20000111.8W110 Q152 H154 T1182 K1226 W1227W110-S1230 PolarHBondContact NE1-O 2.98Å; Q152-S1230 PolarHBondContact NE2-O 3.22Å; H154-S1230 PolarHBondContact CE1-O 2.89Å; H154-S1230 VanDerWaalsContact CE1-O 3.25Å; H154-S1230 PolarHBondContact NE2-O 2.82Å; H154-S1230 VanDerWaalsContact NE2-O 3.1Å; T1182-S1230 WeakPolarHBondContact O-CA 3.31Å; K1226-S1230 WeakPolarHBondContact O-CB 3.33Å; K1226-S1230 PolarHBondContact O-N 3Å; K1226-S1230 PolarHBondContact O-OG 3.46Å; W1227-S1230 PolarHBondContact O-N 2.92Å
1231I74.7Confident75.5Confident75 Ų7544.6 Ų44.639%0.38524%0.237SC..EExtended strand (participates in β ladder)trans-101.2120.6169.4-56.8171.8000106.9F1181 T1182F1181-I1231 WeakPolarHBondContact CA-O 3.15Å; T1182-I1231 PolarHBondContact N-O 3.36Å; T1182-I1231 PolarHBondContact O-N 3.44Å; T1182-I1231 PolarHBondContact OG1-O 2.91Å
1232S70.4Confident76.7Confident7 Ų740.8 Ų40.85%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-80.8134.2-178.8177.90000110.4R153 D1234R153-S1232 WeakPolarHBondContact O-CB 3.17Å; R153-S1232 PolarHBondContact O-OG 2.88Å; S1232-D1234 PolarHBondContact O-N 3.36Å; S1232-D1234 PolarHBondContact OG-N 3.14Å; S1232-D1234 VanDerWaalsContact OG-N 3.08Å; S1232-D1234 PolarHBondContact OG-O 3Å
1233N62.1Low77.4Confident96 Ų9640.3 Ų40.351%0.51322%0.216SC..SBendtrans-71.2-19.8168.6-73.5-18.9000112.4T1180 M1235T1180-N1233 PolarHBondContact O-N 2.9Å; T1180-N1233 VanDerWaalsContact O-N 3.07Å; T1180-N1233 PolarHBondContact OG1-ND2 2.95Å; N1233-M1235 PolarHBondContact O-N 3.45Å
1234D63.8Low77.6Confident52 Ų5240.9 Ų40.928%0.27822%0.219SC..SBendtrans-90.294.8176.6-105.2-17000109.5R153 L1179 S1232R153-D1234 PolarHBondContact N-O 3.47Å; L1179-D1234 HydrophobicContact CD2-CB 3.56Å; L1179-D1234 WeakPolarHBondContact CD2-OD2 3.23Å; S1232-D1234 PolarHBondContact O-N 3.36Å; S1232-D1234 PolarHBondContact OG-N 3.14Å; S1232-D1234 VanDerWaalsContact OG-N 3.08Å; S1232-D1234 PolarHBondContact OG-O 3Å
1235M63.9Low77.5Confident84 Ų8442.4 Ų42.441%0.41423%0.227SC..BIsolated β-bridgetrans-65.7147.1174.2-71.4-157.8128.700112R153 N1233 P1819 R1822R153-M1235 PolarHBondContact NH1-O 2.79Å; N1233-M1235 PolarHBondContact O-N 3.45Å; M1235-P1819 WeakPolarHBondContact CE-O 3.41Å; M1235-R1822 VanDerWaalsContact CE-NH2 3.35Å
1236S68.3Low77.4Confident6 Ų648.6 Ų48.64%0.04225%0.248CC..PPolyproline II helixtrans-71.5153.4172.456.80000111.1V151 T1241 R1822V151-S1236 WeakPolarHBondContact CG1-OG 3.38Å; V151-S1236 PolarHBondContact O-OG 3.21Å; S1236-T1241 PolarHBondContact OG-OG1 2.9Å; S1236-R1822 PolarHBondContact OG-NH1 2.96Å
1237D71.1Confident77.4Confident80 Ų8046.5 Ų46.543%0.42824%0.244SC..PPolyproline II helixtrans-68.3154.5176-163.7-9.4000110.7L1239 E1240 T1241D1237-L1239 VanDerWaalsContact C-N 3.3Å; D1237-L1239 PolarHBondContact O-N 3.35Å; D1237-E1240 HydrophobicContact CB-CB 4.49Å; D1237-E1240 HydrophobicContact CB-CG 4.26Å; D1237-E1240 PolarHBondContact N-OE2 3.35Å; D1237-E1240 PolarHBondContact O-N 2.85Å; D1237-T1241 WeakPolarHBondContact O-CB 3.17Å; D1237-T1241 PolarHBondContact O-N 3.44Å; D1237-T1241 PolarHBondContact O-OG1 3.29Å
1238S70.8Confident77.4Confident27 Ų2745.9 Ų45.919%0.18924%0.242CC..Hα-helixtrans-53.6-44.5173.860.20000112T1241 M1242 F1824S1238-T1241 PolarHBondContact O-N 3.26Å; S1238-M1242 WeakPolarHBondContact O-CB 3.4Å; S1238-M1242 WeakPolarHBondContact O-CG 3.41Å; S1238-M1242 PolarHBondContact O-N 3.48Å; S1238-F1824 WeakPolarHBondContact O-CE1 3.45Å
1239L73.2Confident77.4Confident108 Ų10848.3 Ų48.357%0.56526%0.255SS*.Hα-helixtrans-64.2-45.9177.4-72.3166.6000112.7D1237 T1241 M1242 A1243D1237-L1239 VanDerWaalsContact C-N 3.3Å; D1237-L1239 PolarHBondContact O-N 3.35Å; L1239-T1241 VanDerWaalsContact C-N 3.3Å; L1239-T1241 PolarHBondContact O-N 3.1Å; L1239-M1242 PolarHBondContact O-N 2.96Å; L1239-A1243 WeakPolarHBondContact O-CB 3.34Å; L1239-A1243 PolarHBondContact O-N 2.76Å
1240E79.8Confident77.4Confident59 Ų5951.4 Ų51.428%0.27628%0.276SS..Hα-helixtrans-61.2-41.8176.3-71175.3166.700111.3R153 D1237 A1243 L1244R153-E1240 IonicContact CZ-OE1 3.49Å; R153-E1240 IonicContact CZ-OE2 2.79Å; R153-E1240 IonicContact NE-OE1 3.17Å; R153-E1240 IonicContact NE-OE2 3.5Å; R153-E1240 PolarHBondContact NE-OE2 3.04Å; R153-E1240 IonicContact NH2-OE1 3.64Å; R153-E1240 PolarHBondContact NH2-OE1 3.35Å; R153-E1240 IonicContact NH2-OE2 3.18Å; R153-E1240 PolarHBondContact NH2-OE2 3.28Å; D1237-E1240 HydrophobicContact CB-CB 4.49Å; D1237-E1240 HydrophobicContact CB-CG 4.26Å; D1237-E1240 PolarHBondContact N-OE2 3.35Å; D1237-E1240 PolarHBondContact O-N 2.85Å; E1240-A1243 PolarHBondContact O-N 3.09Å; E1240-L1244 WeakPolarHBondContact O-CB 3.41Å; E1240-L1244 PolarHBondContact O-N 3.24Å
1241T80.7Confident77.4Confident5 Ų552.5 Ų52.53%0.03128%0.282CS..Hα-helixtrans-65.5-45.1179.3-53.90000110.6V151 S1236 D1237 S1238 L1239 L1244 L1245 R1822 F1824V151-T1241 HydrophobicContact CB-CG2 4.1Å; V151-T1241 HydrophobicContact CG2-CG2 3.85Å; S1236-T1241 PolarHBondContact OG-OG1 2.9Å; D1237-T1241 WeakPolarHBondContact O-CB 3.17Å; D1237-T1241 PolarHBondContact O-N 3.44Å; D1237-T1241 PolarHBondContact O-OG1 3.29Å; S1238-T1241 PolarHBondContact O-N 3.26Å; L1239-T1241 VanDerWaalsContact C-N 3.3Å; L1239-T1241 PolarHBondContact O-N 3.1Å; T1241-L1244 PolarHBondContact O-N 2.88Å; T1241-L1245 HydrophobicContact CG2-CD1 4.16Å; T1241-L1245 VanDerWaalsContact O-CG 3.29Å; T1241-L1245 WeakPolarHBondContact O-CG 3.29Å; T1241-L1245 PolarHBondContact O-N 3.46Å; T1241-R1822 PolarHBondContact OG1-NH1 2.88Å; T1241-R1822 VanDerWaalsContact OG1-NH1 3.1Å; T1241-F1824 HydrophobicContact CG2-CE1 3.96Å; T1241-F1824 HydrophobicContact CG2-CZ 3.73Å
1242M79.7Confident77.8Confident28 Ų2850 Ų5014%0.13827%0.269CS..Hα-helixtrans-66-39176.5-75.3-63.5-71.300112.7S1238 L1239 L1244 L1245 R1246 P1272 F1824S1238-M1242 WeakPolarHBondContact O-CB 3.4Å; S1238-M1242 WeakPolarHBondContact O-CG 3.41Å; S1238-M1242 PolarHBondContact O-N 3.48Å; L1239-M1242 PolarHBondContact O-N 2.96Å; M1242-L1244 VanDerWaalsContact C-N 3.35Å; M1242-L1245 PolarHBondContact O-N 2.9Å; M1242-L1245 HydrophobicContact SD-CD1 4.33Å; M1242-R1246 WeakPolarHBondContact O-CB 3.36Å; M1242-R1246 WeakPolarHBondContact O-CG 3.36Å; M1242-R1246 PolarHBondContact O-N 2.71Å; M1242-P1272 HydrophobicContact CE-CG 3.93Å; M1242-P1272 HydrophobicContact SD-CG 4.16Å; M1242-F1824 HydrophobicContact CG-CD1 3.64Å; M1242-F1824 HydrophobicContact CG-CE1 3.86Å; M1242-F1824 HydrophobicContact SD-CD1 4.18Å; M1242-F1824 HydrophobicContact SD-CE1 4.36Å
1243A82.4Confident78.3Confident59 Ų5952.9 Ų52.949%0.48828%0.281SS..Hα-helixtrans-62.1-44.3174.200000111.1L1239 E1240 R1246 S1247L1239-A1243 WeakPolarHBondContact O-CB 3.34Å; L1239-A1243 PolarHBondContact O-N 2.76Å; E1240-A1243 PolarHBondContact O-N 3.09Å; A1243-R1246 PolarHBondContact O-N 2.84Å; A1243-S1247 PolarHBondContact O-N 3.42Å
1244L86.3Confident78.9Confident15 Ų1553.8 Ų53.88%0.07928%0.283CS..Hα-helixtrans-61.8-50175.5-176.273.7000111.4I131 F133 V151 E1240 T1241 M1242 R1246 S1247 L1248I131-L1244 HydrophobicContact CG2-CD2 3.91Å; F133-L1244 HydrophobicContact CB-CD2 3.71Å; F133-L1244 HydrophobicContact CD1-CD1 4.07Å; F133-L1244 HydrophobicContact CD1-CD2 3.74Å; F133-L1244 HydrophobicContact CD1-CG 4.44Å; F133-L1244 HydrophobicContact CE1-CD1 4.17Å; F133-L1244 HydrophobicContact CG-CD2 3.83Å; V151-L1244 HydrophobicContact CB-CD2 4.27Å; V151-L1244 HydrophobicContact CG1-CD2 3.58Å; V151-L1244 HydrophobicContact CG2-CD2 3.63Å; E1240-L1244 WeakPolarHBondContact O-CB 3.41Å; E1240-L1244 PolarHBondContact O-N 3.24Å; T1241-L1244 PolarHBondContact O-N 2.88Å; M1242-L1244 VanDerWaalsContact C-N 3.35Å; L1244-R1246 VanDerWaalsContact C-N 3.29Å; L1244-R1246 PolarHBondContact O-N 2.82Å; L1244-S1247 WeakPolarHBondContact CA-OG 3.49Å; L1244-S1247 CarbonylContact O-C 3.56Å; L1244-S1247 WeakPolarHBondContact O-CA 3.35Å; L1244-S1247 WeakPolarHBondContact O-CB 3.38Å; L1244-S1247 PolarHBondContact O-N 3.27Å; L1244-S1247 PolarHBondContact O-OG 3.2Å; L1244-L1248 HydrophobicContact CD1-CD1 4.45Å; L1244-L1248 HydrophobicContact CD1-CG 4.41Å; L1244-L1248 HydrophobicContact CD2-CD1 4.3Å; L1244-L1248 HydrophobicContact CG-CD1 3.95Å; L1244-L1248 HydrophobicContact CG-CG 4.26Å; L1244-L1248 WeakPolarHBondContact O-CG 3.12Å; L1244-L1248 PolarHBondContact O-N 3.24Å
1245L84.5Confident79.3Confident34 Ų3451.5 Ų51.518%0.17827%0.271CS..Hα-helixtrans-57.5-42.1179.2-72170.4000112.1V149 T1241 M1242 S1247 L1248 L1249 P1272V149-L1245 HydrophobicContact CB-CD2 3.74Å; V149-L1245 HydrophobicContact CG1-CD2 4.09Å; V149-L1245 HydrophobicContact CG2-CD2 3.87Å; T1241-L1245 HydrophobicContact CG2-CD1 4.16Å; T1241-L1245 VanDerWaalsContact O-CG 3.29Å; T1241-L1245 WeakPolarHBondContact O-CG 3.29Å; T1241-L1245 PolarHBondContact O-N 3.46Å; M1242-L1245 PolarHBondContact O-N 2.9Å; M1242-L1245 HydrophobicContact SD-CD1 4.33Å; L1245-S1247 VanDerWaalsContact C-N 3.33Å; L1245-S1247 PolarHBondContact O-N 2.96Å; L1245-L1248 PolarHBondContact O-N 3.06Å; L1245-L1249 PolarHBondContact O-N 2.86Å; L1245-P1272 HydrophobicContact CB-CB 4.45Å; L1245-P1272 HydrophobicContact CB-CG 4.28Å; L1245-P1272 HydrophobicContact CD1-CB 4.02Å; L1245-P1272 HydrophobicContact CD1-CG 4.46Å
1246R84.5Confident79.6Confident163 Ų16351.2 Ų51.262%0.61527%0.271SS*.Hα-helixtrans-65.3-35.2174.5-72.9176.1-179.9145.30.2112.5M1242 A1243 L1244 P1250M1242-R1246 WeakPolarHBondContact O-CB 3.36Å; M1242-R1246 WeakPolarHBondContact O-CG 3.36Å; M1242-R1246 PolarHBondContact O-N 2.71Å; A1243-R1246 PolarHBondContact O-N 2.84Å; L1244-R1246 VanDerWaalsContact C-N 3.29Å; L1244-R1246 PolarHBondContact O-N 2.82Å; R1246-P1250 WeakPolarHBondContact O-CD 3.12Å
1247S86.9Confident79.5Confident48 Ų4854.6 Ų54.634%0.33629%0.286SS..Hα-helixtrans-72.1-31.2175.575.60000113.2A1243 L1244 L1245 P1250A1243-S1247 PolarHBondContact O-N 3.42Å; L1244-S1247 WeakPolarHBondContact CA-OG 3.49Å; L1244-S1247 CarbonylContact O-C 3.56Å; L1244-S1247 WeakPolarHBondContact O-CA 3.35Å; L1244-S1247 WeakPolarHBondContact O-CB 3.38Å; L1244-S1247 PolarHBondContact O-N 3.27Å; L1244-S1247 PolarHBondContact O-OG 3.2Å; L1245-S1247 VanDerWaalsContact C-N 3.33Å; L1245-S1247 PolarHBondContact O-N 2.96Å; S1247-P1250 WeakPolarHBondContact O-CD 3.32Å; S1247-P1250 WeakPolarHBondContact O-CG 3.47Å
1248L87.4Confident78.7Confident3 Ų355.9 Ų55.92%0.01629%0.288CS..Hα-helixtrans-78.3-31.4178.7-69.4175.4000112.5L99 F133 F135 V149 L1244 L1245 L1251 L1252L99-L1248 HydrophobicContact CD2-CD2 4.03Å; F133-L1248 HydrophobicContact CD2-CD1 3.81Å; F133-L1248 HydrophobicContact CE1-CD2 4.41Å; F133-L1248 HydrophobicContact CE2-CD1 3.81Å; F133-L1248 HydrophobicContact CE2-CD2 3.68Å; F133-L1248 HydrophobicContact CE2-CG 4.41Å; F133-L1248 HydrophobicContact CG-CD1 4.32Å; F133-L1248 HydrophobicContact CZ-CD1 4.33Å; F133-L1248 HydrophobicContact CZ-CD2 3.63Å; F135-L1248 HydrophobicContact CE1-CD1 4.43Å; F135-L1248 HydrophobicContact CZ-CD1 4.24Å; V149-L1248 HydrophobicContact CG1-CD1 4.25Å; L1244-L1248 HydrophobicContact CD1-CD1 4.45Å; L1244-L1248 HydrophobicContact CD1-CG 4.41Å; L1244-L1248 HydrophobicContact CD2-CD1 4.3Å; L1244-L1248 HydrophobicContact CG-CD1 3.95Å; L1244-L1248 HydrophobicContact CG-CG 4.26Å; L1244-L1248 WeakPolarHBondContact O-CG 3.12Å; L1244-L1248 PolarHBondContact O-N 3.24Å; L1245-L1248 PolarHBondContact O-N 3.06Å; L1248-L1251 HydrophobicContact CD2-CD1 4.46Å; L1248-L1251 WeakPolarHBondContact O-CB 3.48Å; L1248-L1251 PolarHBondContact O-N 3.24Å; L1248-L1251 VanDerWaalsContact O-N 3.08Å; L1248-L1252 WeakPolarHBondContact O-CG 3.23Å; L1248-L1252 PolarHBondContact O-N 2.85Å
1249L85.8Confident77.5Confident51 Ų5160.5 Ų60.527%0.26732%0.317SS..Hα-helixtrans-50.3-53-178.7-17568.7000114.1L1245 L1251 L1252 Q1253 V1269 G1271L1245-L1249 PolarHBondContact O-N 2.86Å; L1249-L1251 VanDerWaalsContact C-N 3.29Å; L1249-L1251 PolarHBondContact O-N 3.41Å; L1249-L1252 PolarHBondContact O-N 2.9Å; L1249-Q1253 WeakPolarHBondContact O-CB 3.42Å; L1249-Q1253 PolarHBondContact O-N 3.19Å; L1249-V1269 HydrophobicContact CD1-CB 4.38Å; L1249-V1269 HydrophobicContact CD1-CG1 3.87Å; L1249-G1271 WeakPolarHBondContact CD2-O 3.45Å
1250P85.5Confident76.3Confident74 Ų7462.1 Ų62.148%0.48132%0.315SS..Hα-helixtrans-64.4-34178.825.5-34.8000112.5R1246 S1247 Q1253 E1254R1246-P1250 WeakPolarHBondContact O-CD 3.12Å; S1247-P1250 WeakPolarHBondContact O-CD 3.32Å; S1247-P1250 WeakPolarHBondContact O-CG 3.47Å; P1250-Q1253 PolarHBondContact O-N 2.85Å; P1250-E1254 WeakPolarHBondContact O-CB 3.3Å; P1250-E1254 PolarHBondContact O-N 2.93Å
1251L84Confident74.3Confident29 Ų2961.9 Ų61.915%0.15233%0.329CS..Hα-helixtrans-67.6-41.7177.5-58.2-179.4000111.4V98 L99 S102 Y104 L1248 L1249 E1254 S1255V98-L1251 HydrophobicContact CG1-CB 4.16Å; V98-L1251 WeakPolarHBondContact CG1-O 3.48Å; L99-L1251 HydrophobicContact CD2-CD1 3.92Å; S102-L1251 VanDerWaalsContact OG-CD2 3.31Å; S102-L1251 WeakPolarHBondContact OG-CD2 3.41Å; Y104-L1251 HydrophobicContact CE2-CD1 4.36Å; L1248-L1251 HydrophobicContact CD2-CD1 4.46Å; L1248-L1251 WeakPolarHBondContact O-CB 3.48Å; L1248-L1251 PolarHBondContact O-N 3.24Å; L1248-L1251 VanDerWaalsContact O-N 3.08Å; L1249-L1251 VanDerWaalsContact C-N 3.29Å; L1249-L1251 PolarHBondContact O-N 3.41Å; L1251-E1254 PolarHBondContact O-N 3.49Å; L1251-S1255 WeakPolarHBondContact O-CB 3.03Å; L1251-S1255 PolarHBondContact O-N 2.74Å
1252L81.9Confident72.2Confident21 Ų2170.2 Ų70.211%0.1137%0.372CS..Hα-helixtrans-67.8-36.7174.5-67.7175.6000111.7I95 F135 L1248 L1249 S1255 L1256 V1269I95-L1252 HydrophobicContact CD1-CD2 3.71Å; I95-L1252 HydrophobicContact CG1-CD2 3.82Å; I95-L1252 HydrophobicContact CG2-CD2 4.35Å; F135-L1252 HydrophobicContact CE1-CD1 4.19Å; F135-L1252 HydrophobicContact CE1-CD2 4.16Å; F135-L1252 HydrophobicContact CZ-CD2 4.26Å; L1248-L1252 WeakPolarHBondContact O-CG 3.23Å; L1248-L1252 PolarHBondContact O-N 2.85Å; L1249-L1252 PolarHBondContact O-N 2.9Å; L1252-S1255 PolarHBondContact O-N 2.95Å; L1252-S1255 PolarHBondContact O-OG 3.25Å; L1252-L1256 WeakPolarHBondContact O-CG 3.48Å; L1252-L1256 PolarHBondContact O-N 3.31Å; L1252-V1269 HydrophobicContact CB-CG1 4.22Å
1253Q81.9Confident70.2Confident68 Ų6879.3 Ų79.332%0.31841%0.405SS..Hα-helixtrans-67.2-42.7176.1-170168.9-800111.4L1249 P1250 S1255 L1256 Q1257 V1269L1249-Q1253 WeakPolarHBondContact O-CB 3.42Å; L1249-Q1253 PolarHBondContact O-N 3.19Å; P1250-Q1253 PolarHBondContact O-N 2.85Å; Q1253-S1255 VanDerWaalsContact C-N 3.31Å; Q1253-S1255 PolarHBondContact O-N 3.06Å; Q1253-L1256 PolarHBondContact O-N 3.31Å; Q1253-Q1257 HydrophobicContact CG-CG 4.17Å; Q1253-Q1257 VanDerWaalsContact CG-OE1 3.3Å; Q1253-Q1257 VanDerWaalsContact O-CB 3.31Å; Q1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; Q1253-Q1257 PolarHBondContact O-N 3.07Å; Q1253-V1269 HydrophobicContact CB-CB 4.37Å; Q1253-V1269 HydrophobicContact CB-CG2 4.28Å
1254E75.5Confident68.2Low115 Ų11585.7 Ų85.754%0.53743%0.425SS..Hα-helixtrans-61.1-40.3173.6-174.3-176.9171.800111.9P1250 L1251 L1256P1250-E1254 WeakPolarHBondContact O-CB 3.3Å; P1250-E1254 PolarHBondContact O-N 2.93Å; L1251-E1254 PolarHBondContact O-N 3.49Å; E1254-L1256 VanDerWaalsContact C-N 3.27Å; E1254-L1256 PolarHBondContact O-N 2.91Å
1255S71.1Confident66.1Low4 Ų487.8 Ų87.83%0.02844%0.444CS..Hα-helixtrans-65.2-31.5-178.4820000112.7Q94 V98 L1251 L1252 Q1253Q94-S1255 VanDerWaalsContact CG-O 3.26Å; Q94-S1255 WeakPolarHBondContact CG-O 3.48Å; Q94-S1255 PolarHBondContact NE2-O 3Å; V98-S1255 VanDerWaalsContact CG2-CB 3.43Å; L1251-S1255 WeakPolarHBondContact O-CB 3.03Å; L1251-S1255 PolarHBondContact O-N 2.74Å; L1252-S1255 PolarHBondContact O-N 2.95Å; L1252-S1255 PolarHBondContact O-OG 3.25Å; Q1253-S1255 VanDerWaalsContact C-N 3.31Å; Q1253-S1255 PolarHBondContact O-N 3.06Å
1256L70.5Confident64.4Low79 Ų7995.7 Ų95.741%0.41448%0.477SS..Hα-helixtrans-100.4-24.7-174.5-62.9173.8000114.6L91 L1252 Q1253 E1254 V1269L91-L1256 HydrophobicContact CD2-CD2 3.44Å; L91-L1256 VanDerWaalsContact CD2-CD2 3.44Å; L1252-L1256 WeakPolarHBondContact O-CG 3.48Å; L1252-L1256 PolarHBondContact O-N 3.31Å; Q1253-L1256 PolarHBondContact O-N 3.31Å; E1254-L1256 VanDerWaalsContact C-N 3.27Å; E1254-L1256 PolarHBondContact O-N 2.91Å; L1256-V1269 HydrophobicContact CB-CG2 4.42Å; L1256-V1269 HydrophobicContact CD1-CG2 3.65Å
1257Q65.6Low62.8Low77 Ų7794.6 Ų94.636%0.3648%0.479SS..  trans-108.222.8-169.8-65.5-170.3-18.300116.1Q1253 H1267Q1253-Q1257 HydrophobicContact CG-CG 4.17Å; Q1253-Q1257 VanDerWaalsContact CG-OE1 3.3Å; Q1253-Q1257 VanDerWaalsContact O-CB 3.31Å; Q1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; Q1253-Q1257 PolarHBondContact O-N 3.07Å; Q1257-H1267 PolarHBondContact NE2-O 2.9Å
1258K55.5Low61.7Low107 Ų10794.7 Ų94.747%0.46548%0.479SS..  trans-52.1121.6-179.7-96.4-173.8176179.20110.9R1260K1258-R1260 PolarHBondContact O-N 3.42Å
1259P45Very low61.1Low123 Ų12396.3 Ų96.380%0.79949%0.489SS*.  trans-76.598.2-167.130-32.9000108.7
1260R47.4Very low60.7Low142 Ų14298.2 Ų98.254%0.53650%0.497SS..  trans-115.795.1166.8-71.4-172.5175.6165.71.3107.5Q21 Y23 K1258Q21-R1260 PolarHBondContact O-NH2 3.23Å; Y23-R1260 PolarHBondContact OH-NH1 2.9Å; K1258-R1260 PolarHBondContact O-N 3.42Å
1261G39.3Very low60.2Low54 Ų5496 Ų9656%0.55749%0.487SS*.SBendtrans105.2154.5173.300000114.9W1263G1261-W1263 PolarHBondContact O-N 3.02Å
1262L35.8Very low59.9Low180 Ų18097.2 Ų97.294%0.94250%0.497SS*.SBendtrans-61.47.2-172.5-96.8104.1000116.3Q1264L1262-Q1264 PolarHBondContact O-N 3.09Å
1263W37.3Very low59.4Low220 Ų22099.7 Ų99.783%0.83351%0.51SS*.  trans-97.288.3-178.9-66.291.1000110G1261 A1265G1261-W1263 PolarHBondContact O-N 3.02Å; W1263-A1265 PolarHBondContact O-N 3.01Å
1264Q41.4Very low58.8Low193 Ų19398.4 Ų98.490%0.90251%0.506SS*.  trans-66.472.3157.8-80.2178.3-10.400108.8L1262 K1266L1262-Q1264 PolarHBondContact O-N 3.09Å; Q1264-K1266 PolarHBondContact O-N 3.43Å
1265A41.1Very low58.2Low58 Ų58101.1 Ų101.148%0.47951%0.512SS..  trans-65.7119.2164.700000106.7W1263 H1267W1263-A1265 PolarHBondContact O-N 3.01Å; A1265-H1267 PolarHBondContact O-N 2.85Å
1266K48.6Very low57.8Low201 Ų201104.1 Ų104.187%0.87452%0.523SS*.  trans-59.128.9177.5-94.7-178.4175178.30114.1Q1264 S1268Q1264-K1266 PolarHBondContact O-N 3.43Å; K1266-S1268 PolarHBondContact O-N 3.5Å
1267H50.9Low57.7Low140 Ų140103.3 Ų103.365%0.64852%0.517SS*.  trans-85.371.1177.2-60-57000109.2Q1257 A1265Q1257-H1267 PolarHBondContact NE2-O 2.9Å; A1265-H1267 PolarHBondContact O-N 2.85Å
1268S64.8Low57.8Low50 Ų50100.9 Ų100.935%0.3551%0.506SS..  trans-66.7129.4168.144.20000109.7K1266 E1270K1266-S1268 PolarHBondContact O-N 3.5Å; S1268-E1270 PolarHBondContact O-N 3.32Å; S1268-E1270 WeakPolarHBondContact OG-CG 3.42Å; S1268-E1270 PolarHBondContact OG-OE1 3.05Å
1269V73.8Confident58.2Low37 Ų3798 Ų9822%0.22449%0.494CS..  trans-53.3114.3159.1-178.20000106.4L1249 L1252 Q1253 L1256L1249-V1269 HydrophobicContact CD1-CB 4.38Å; L1249-V1269 HydrophobicContact CD1-CG1 3.87Å; L1252-V1269 HydrophobicContact CB-CG1 4.22Å; Q1253-V1269 HydrophobicContact CB-CB 4.37Å; Q1253-V1269 HydrophobicContact CB-CG2 4.28Å; L1256-V1269 HydrophobicContact CB-CG2 4.42Å; L1256-V1269 HydrophobicContact CD1-CG2 3.65Å
1270E76.9Confident59.2Low91 Ų9194.3 Ų94.343%0.42546%0.464SS..  trans-116.1115.2-173.1-87.4170.1-101.100109.8S1268 L1273 K1281S1268-E1270 PolarHBondContact O-N 3.32Å; S1268-E1270 WeakPolarHBondContact OG-CG 3.42Å; S1268-E1270 PolarHBondContact OG-OE1 3.05Å; E1270-L1273 HydrophobicContact CB-CD2 4.49Å; E1270-L1273 WeakPolarHBondContact O-CG 3.32Å; E1270-K1281 IonicContact OE1-NZ 3.51Å; E1270-K1281 PolarHBondContact OE1-NZ 3.23Å; E1270-K1281 WeakPolarHBondContact OE2-CE 3.25Å; E1270-K1281 IonicContact OE2-NZ 2.73Å; E1270-K1281 PolarHBondContact OE2-NZ 3.19Å
1271G76.2Confident60.1Low27 Ų2792.3 Ų92.328%0.27846%0.459SS..  trans169.2-179.2176.200000111.9L1249L1249-G1271 WeakPolarHBondContact CD2-O 3.45Å
1272P76.8Confident61.1Low54 Ų5491.7 Ų91.735%0.35145%0.446SS..SBendcis-63.2132.9-2.325.9-33.5000112.1M1242 L1245M1242-P1272 HydrophobicContact CE-CG 3.93Å; M1242-P1272 HydrophobicContact SD-CG 4.16Å; L1245-P1272 HydrophobicContact CB-CB 4.45Å; L1245-P1272 HydrophobicContact CB-CG 4.28Å; L1245-P1272 HydrophobicContact CD1-CB 4.02Å; L1245-P1272 HydrophobicContact CD1-CG 4.46Å
1273L71.8Confident62.1Low74 Ų7484.7 Ų84.739%0.38741%0.413SS..PPolyproline II helixtrans-89.9136.2-179.5-62.9173.5000110E1270 Q1277 L1278E1270-L1273 HydrophobicContact CB-CD2 4.49Å; E1270-L1273 WeakPolarHBondContact O-CG 3.32Å; L1273-Q1277 HydrophobicContact CB-CB 4.43Å; L1273-Q1277 HydrophobicContact CD2-CB 4.17Å; L1273-L1278 HydrophobicContact CD1-CD1 4.32Å
1274T68.8Low62.8Low40 Ų4079.8 Ų79.825%0.24540%0.399CS..PPolyproline II helixtrans-69.3153.8162.461.30000109.7R1276 Q1277 L1278 V1829T1274-R1276 PolarHBondContact O-N 3.23Å; T1274-R1276 VanDerWaalsContact O-N 3.13Å; T1274-Q1277 PolarHBondContact O-N 3.29Å; T1274-Q1277 WeakPolarHBondContact OG1-CB 3.32Å; T1274-Q1277 VanDerWaalsContact OG1-CG 3.25Å; T1274-Q1277 WeakPolarHBondContact OG1-CG 3.18Å; T1274-Q1277 PolarHBondContact OG1-N 2.9Å; T1274-Q1277 PolarHBondContact OG1-OE1 2.86Å; T1274-Q1277 VanDerWaalsContact OG1-OE1 3.08Å; T1274-L1278 PolarHBondContact O-N 2.98Å; T1274-V1829 HydrophobicContact CG2-CG2 4.03Å
1275W63Low63.1Low172 Ų17278 Ų7865%0.65238%0.384SS*.Hα-helixtrans-52.3-37.9174.7-177.2-110.2000112.2L1278 H1279 M1855W1275-L1278 HydrophobicContact CE3-CD2 3.87Å; W1275-L1278 HydrophobicContact CZ3-CD2 3.69Å; W1275-L1278 PolarHBondContact O-N 2.81Å; W1275-H1279 WeakPolarHBondContact O-CB 3.45Å; W1275-H1279 PolarHBondContact O-N 3.07Å; W1275-M1855 HydrophobicContact CZ3-SD 4.47Å
1276R63.5Low63.1Low67 Ų6782 Ų8225%0.25341%0.405SS..Hα-helixtrans-65-43.2176.6-169.9169.1-165.4-173.1-0.2112.9T1274 R1280 S1295 D1831T1274-R1276 PolarHBondContact O-N 3.23Å; T1274-R1276 VanDerWaalsContact O-N 3.13Å; R1276-R1280 VanDerWaalsContact NE-NH2 3.14Å; R1276-R1280 WeakPolarHBondContact O-CB 3.47Å; R1276-R1280 VanDerWaalsContact O-CG 3.26Å; R1276-R1280 WeakPolarHBondContact O-CG 3.37Å; R1276-R1280 PolarHBondContact O-N 2.86Å; R1276-S1295 PolarHBondContact NE-OG 3.3Å; R1276-S1295 VanDerWaalsContact NE-OG 3.14Å; R1276-D1831 IonicContact CZ-OD2 2.68Å; R1276-D1831 IonicContact NH2-OD2 2.74Å
1277Q67.6Low63Low63 Ų6375.4 Ų75.429%0.29439%0.393SS..Hα-helixtrans-64.8-41.3175.2-75.7164.7-32.200111.5L1273 T1274 R1280 K1281L1273-Q1277 HydrophobicContact CB-CB 4.43Å; L1273-Q1277 HydrophobicContact CD2-CB 4.17Å; T1274-Q1277 PolarHBondContact O-N 3.29Å; T1274-Q1277 WeakPolarHBondContact OG1-CB 3.32Å; T1274-Q1277 VanDerWaalsContact OG1-CG 3.25Å; T1274-Q1277 WeakPolarHBondContact OG1-CG 3.18Å; T1274-Q1277 PolarHBondContact OG1-N 2.9Å; T1274-Q1277 PolarHBondContact OG1-OE1 2.86Å; T1274-Q1277 VanDerWaalsContact OG1-OE1 3.08Å; Q1277-R1280 PolarHBondContact O-N 3.23Å; Q1277-K1281 PolarHBondContact O-N 3.46Å
1278L68.8Low62.8Low26 Ų2670.1 Ų70.114%0.13637%0.373CS..Hα-helixtrans-59.1-56174.1-178.667.5000109.9L1273 T1274 W1275 R1280 K1281 C1282L1273-L1278 HydrophobicContact CD1-CD1 4.32Å; T1274-L1278 PolarHBondContact O-N 2.98Å; W1275-L1278 HydrophobicContact CE3-CD2 3.87Å; W1275-L1278 HydrophobicContact CZ3-CD2 3.69Å; W1275-L1278 PolarHBondContact O-N 2.81Å; L1278-R1280 VanDerWaalsContact C-N 3.28Å; L1278-R1280 PolarHBondContact O-N 2.86Å; L1278-K1281 PolarHBondContact O-N 3.26Å; L1278-K1281 VanDerWaalsContact O-N 3.12Å; L1278-C1282 PolarHBondContact O-N 3.17Å; L1278-C1282 VanDerWaalsContact O-N 3.09Å; L1278-C1282 PolarHBondContact O-SG 3.2Å
1279H63.9Low61.6Low46 Ų4673.7 Ų73.721%0.21339%0.387CS..Hα-helixtrans-52.4-45.4177.8-175.1-84.4000112W1275 C1282 S1283W1275-H1279 WeakPolarHBondContact O-CB 3.45Å; W1275-H1279 PolarHBondContact O-N 3.07Å; H1279-C1282 CarbonylContact O-C 3.56Å; H1279-C1282 WeakPolarHBondContact O-CA 3.47Å; H1279-C1282 WeakPolarHBondContact O-CB 3.5Å; H1279-C1282 PolarHBondContact O-N 2.87Å; H1279-S1283 PolarHBondContact CE1-OG 2.67Å; H1279-S1283 PolarHBondContact ND1-OG 2.92Å; H1279-S1283 PolarHBondContact O-N 3.09Å; H1279-S1283 PolarHBondContact O-OG 3.12Å
1280R66.3Low60.1Low46 Ų4674.6 Ų74.617%0.17440%0.404CS..Hα-helixtrans-63.4-43.5177.5-76.6172.3174.1175.2-5.8114R1276 Q1277 L1278 C1282 S1283 H1284 D1293 D1831 R1833R1276-R1280 VanDerWaalsContact NE-NH2 3.14Å; R1276-R1280 WeakPolarHBondContact O-CB 3.47Å; R1276-R1280 VanDerWaalsContact O-CG 3.26Å; R1276-R1280 WeakPolarHBondContact O-CG 3.37Å; R1276-R1280 PolarHBondContact O-N 2.86Å; Q1277-R1280 PolarHBondContact O-N 3.23Å; L1278-R1280 VanDerWaalsContact C-N 3.28Å; L1278-R1280 PolarHBondContact O-N 2.86Å; R1280-C1282 PolarHBondContact O-N 2.76Å; R1280-S1283 PolarHBondContact O-N 3.07Å; R1280-H1284 PolarHBondContact O-CD2 2.8Å; R1280-H1284 PolarHBondContact O-N 3.22Å; R1280-D1293 IonicContact CZ-OD2 3.36Å; R1280-D1293 VanDerWaalsContact CZ-OD2 3.31Å; R1280-D1293 IonicContact NE-OD1 3.83Å; R1280-D1293 PolarHBondContact NE-OD1 2.97Å; R1280-D1293 IonicContact NE-OD2 2.79Å; R1280-D1293 PolarHBondContact NE-OD2 3.08Å; R1280-D1293 IonicContact NH2-OD2 2.7Å; R1280-D1293 PolarHBondContact NH2-OD2 2.77Å; R1280-D1831 IonicContact CZ-OD2 3.37Å; R1280-D1831 IonicContact NH1-OD2 3.6Å; R1280-D1831 PolarHBondContact NH1-OD2 2.83Å; R1280-D1831 IonicContact NH2-OD2 2.88Å; R1280-D1831 PolarHBondContact NH2-OD2 3.16Å; R1280-R1833 VanDerWaalsContact NH2-NH2 3.13Å
1281K66.4Low58.2Low99 Ų9979.7 Ų79.743%0.4342%0.42SS..Hα-helixtrans-61.3-22.2173-93.6-156171.9-166.10112.2E1270 Q1277 L1278E1270-K1281 IonicContact OE1-NZ 3.51Å; E1270-K1281 PolarHBondContact OE1-NZ 3.23Å; E1270-K1281 WeakPolarHBondContact OE2-CE 3.25Å; E1270-K1281 IonicContact OE2-NZ 2.73Å; E1270-K1281 PolarHBondContact OE2-NZ 3.19Å; Q1277-K1281 PolarHBondContact O-N 3.46Å; L1278-K1281 PolarHBondContact O-N 3.26Å; L1278-K1281 VanDerWaalsContact O-N 3.12Å
1282C59.9Low56.9Low41 Ų4184.6 Ų84.628%0.27744%0.435SS..Hα-helixtrans-90.5-33.5178.3-57.50000113.2H140 L1278 H1279 R1280H140-C1282 VanDerWaalsContact CE1-CB 3.43Å; H140-C1282 WeakPolarHBondContact CE1-CB 3.31Å; H140-C1282 PolarHBondContact CE1-SG 2.77Å; H140-C1282 PolarHBondContact ND1-SG 3Å; L1278-C1282 PolarHBondContact O-N 3.17Å; L1278-C1282 VanDerWaalsContact O-N 3.09Å; L1278-C1282 PolarHBondContact O-SG 3.2Å; H1279-C1282 CarbonylContact O-C 3.56Å; H1279-C1282 WeakPolarHBondContact O-CA 3.47Å; H1279-C1282 WeakPolarHBondContact O-CB 3.5Å; H1279-C1282 PolarHBondContact O-N 2.87Å; R1280-C1282 PolarHBondContact O-N 2.76Å
1283S56.6Low55.4Low34 Ų3484.4 Ų84.424%0.23843%0.431CS..Hα-helixtrans-77.7-27.1179.6-52.10000113.3H1279 R1280 R1285H1279-S1283 PolarHBondContact CE1-OG 2.67Å; H1279-S1283 PolarHBondContact ND1-OG 2.92Å; H1279-S1283 PolarHBondContact O-N 3.09Å; H1279-S1283 PolarHBondContact O-OG 3.12Å; R1280-S1283 PolarHBondContact O-N 3.07Å; S1283-R1285 PolarHBondContact O-N 3.2Å
1284H51.4Low54.3Low117 Ų11786 Ų8654%0.54244%0.439SS..  trans-82.682.7180-80.8-63.8000112.1R1280R1280-H1284 PolarHBondContact O-CD2 2.8Å; R1280-H1284 PolarHBondContact O-N 3.22Å
1285R48.7Very low53.4Low156 Ų15685.6 Ų85.659%0.58944%0.438SS*.  trans-77140.5153-82.6-169.2-176.3-160.5-1109.6E142 S1283 G1287 S1288E142-R1285 IonicContact OE1-CZ 3.09Å; E142-R1285 IonicContact OE1-NH1 2.92Å; E142-R1285 IonicContact OE1-NH2 3.94Å; E142-R1285 PolarHBondContact OE1-NH2 2.96Å; E142-R1285 IonicContact OE2-CZ 2.88Å; E142-R1285 IonicContact OE2-NH2 2.61Å; E142-R1285 PolarHBondContact OE2-NH2 2.88Å; S1283-R1285 PolarHBondContact O-N 3.2Å; R1285-G1287 PolarHBondContact O-N 2.98Å; R1285-S1288 PolarHBondContact O-N 3.2Å
1286P41.3Very low52.6Low141 Ų14178.8 Ų78.892%0.91642%0.422SS*.THydrogen-bonded Turntrans-61.999170.8-12.325.7000109
1287G45.5Very low51.7Low62 Ų6280.9 Ų80.964%0.63944%0.444SS*.THydrogen-bonded Turntrans137.2-20-176.800000115.4R1285R1285-G1287 PolarHBondContact O-N 2.98Å
1288S46Very low50.9Low30 Ų3081.8 Ų81.821%0.2145%0.449CS..SBendtrans-80.2120.8171.4165.20000109.5D774 R1285 G1290D774-S1288 VanDerWaalsContact OD1-CB 3.22Å; D774-S1288 WeakPolarHBondContact OD1-CB 3.42Å; D774-S1288 PolarHBondContact OD1-OG 3.33Å; D774-S1288 WeakPolarHBondContact OD2-CB 3.41Å; D774-S1288 PolarHBondContact OD2-OG 3.07Å; R1285-S1288 PolarHBondContact O-N 3.2Å; S1288-G1290 PolarHBondContact O-N 3.4Å
1289N39.9Very low50.5Low124 Ų12484.2 Ų84.266%0.66347%0.466SS*.  trans-75.859.4-174.6-83.7-24.8000112.5L773 R1291L773-N1289 HydrophobicContact CD1-CB 4.25Å; N1289-R1291 PolarHBondContact O-N 3.14Å
1290G42.8Very low50.6Low56 Ų5685.1 Ų85.158%0.57747%0.471SS*.SBendtrans52.44.2156.200000119.6S1288S1288-G1290 PolarHBondContact O-N 3.4Å
1291R37.8Very low50.7Low199 Ų19983.9 Ų83.975%0.75147%0.469SS*.  trans-115.5105.4175.5-89.5176.6132.8169.6-4.8102.3N1289N1289-R1291 PolarHBondContact O-N 3.14Å
1292E48.2Very low51.4Low130 Ų13084.6 Ų84.661%0.60747%0.474SS*.  cis-151.7125.942.3-76157.5175.700107.7L1294E1292-L1294 PolarHBondContact O-N 2.86Å
1293D44.6Very low52.6Low50 Ų5083.3 Ų83.327%0.26747%0.465SS..  trans-73.380.2171.3-138.2-15.5000106.7R1280 S1295 G1296 R1833R1280-D1293 IonicContact CZ-OD2 3.36Å; R1280-D1293 VanDerWaalsContact CZ-OD2 3.31Å; R1280-D1293 IonicContact NE-OD1 3.83Å; R1280-D1293 PolarHBondContact NE-OD1 2.97Å; R1280-D1293 IonicContact NE-OD2 2.79Å; R1280-D1293 PolarHBondContact NE-OD2 3.08Å; R1280-D1293 IonicContact NH2-OD2 2.7Å; R1280-D1293 PolarHBondContact NH2-OD2 2.77Å; D1293-S1295 PolarHBondContact O-N 2.86Å; D1293-S1295 PolarHBondContact OD1-OG 2.86Å; D1293-G1296 PolarHBondContact O-N 3.12Å; D1293-G1296 VanDerWaalsContact O-N 3.08Å; D1293-R1833 IonicContact OD2-CZ 3.8Å; D1293-R1833 IonicContact OD2-NH2 3.7Å; D1293-R1833 PolarHBondContact OD2-NH2 2.83Å
1294L50.1Low54.2Low106 Ų10682.8 Ų82.856%0.55546%0.459SS*.THydrogen-bonded Turntrans-56.8-4.9176.2-69.8172.2000113.2L776 E1292 G1296L776-L1294 HydrophobicContact CD1-CD1 3.91Å; E1292-L1294 PolarHBondContact O-N 2.86Å; L1294-G1296 VanDerWaalsContact C-N 3.28Å
1295S49Very low55.9Low32 Ų3277.2 Ų77.222%0.22443%0.433CS..THydrogen-bonded Turntrans-83.34.5174.6690000114.2R1276 D1293R1276-S1295 PolarHBondContact NE-OG 3.3Å; R1276-S1295 VanDerWaalsContact NE-OG 3.14Å; D1293-S1295 PolarHBondContact O-N 2.86Å; D1293-S1295 PolarHBondContact OD1-OG 2.86Å
1296G45.7Very low57.8Low30 Ų3069.9 Ų69.931%0.30941%0.406SS..SBendtrans-65144172.800000111.9D1293 L1294 E1298D1293-G1296 PolarHBondContact O-N 3.12Å; D1293-G1296 VanDerWaalsContact O-N 3.08Å; L1294-G1296 VanDerWaalsContact C-N 3.28Å; G1296-E1298 PolarHBondContact O-N 3.11Å
1297P44.5Very low60Low111 Ų11164.5 Ų64.572%0.72137%0.371SS*.PPolyproline II helixtrans-59.3126.6173.225.1-32.3000109.7
1298E51.8Low61.9Low82 Ų8266.5 Ų66.538%0.38337%0.368SS..PPolyproline II helixtrans-64.7142.9176.7-80-74.4150.600110.6G1296 I1300 H1931G1296-E1298 PolarHBondContact O-N 3.11Å; E1298-I1300 PolarHBondContact O-N 3.08Å; E1298-H1931 IonicContact OE1-CE1 3.49Å; E1298-H1931 IonicContact OE1-ND1 3.57Å; E1298-H1931 IonicContact OE2-CE1 2.88Å; E1298-H1931 PolarHBondContact OE2-CE1 3.23Å; E1298-H1931 IonicContact OE2-ND1 3.63Å; E1298-H1931 PolarHBondContact OE2-ND1 3.48Å; E1298-H1931 VanDerWaalsContact OE2-ND1 3.09Å
1299P59.1Low63.4Low76 Ų7675.9 Ų75.949%0.49440%0.398SS..PPolyproline II helixtrans-60137.4176.924.1-33.4000110.9
1300I66.1Low65.6Low65 Ų6576.7 Ų76.733%0.33340%0.398SS..PPolyproline II helixtrans-53.3124.4177.3-65.2154.8000108.9E1298 Q1302 P1316 F1317 L1843E1298-I1300 PolarHBondContact O-N 3.08Å; I1300-Q1302 PolarHBondContact O-N 3.17Å; I1300-P1316 VanDerWaalsContact CG2-CD 3.47Å; I1300-P1316 HydrophobicContact CG2-CG 4Å; I1300-F1317 HydrophobicContact CD1-CE2 3.71Å; I1300-F1317 HydrophobicContact CG1-CE2 4.31Å; I1300-F1317 HydrophobicContact CG2-CE2 4.34Å; I1300-L1843 HydrophobicContact CD1-CD2 3.61Å
1301P70.3Confident67.6Low20 Ų2080.9 Ų80.913%0.1340%0.397CS..PPolyproline II helixtrans-66135-178.626.6-33.6000110P1316 L1660P1301-P1316 HydrophobicContact CG-CG 4.39Å; P1301-P1316 WeakPolarHBondContact O-CD 3.37Å; P1301-P1316 WeakPolarHBondContact O-CG 3.41Å; P1301-L1660 HydrophobicContact CB-CD2 4.15Å
1302Q80.9Confident70.1Confident114 Ų11474.1 Ų74.153%0.53338%0.375SS..PPolyproline II helixtrans-81.6144.9173.9-68-174.9-7.600110.9I1300 S1313 V1314 M1661I1300-Q1302 PolarHBondContact O-N 3.17Å; Q1302-S1313 WeakPolarHBondContact CB-OG 3.5Å; Q1302-S1313 VanDerWaalsContact CD-OG 3.27Å; Q1302-S1313 PolarHBondContact OE1-OG 2.94Å; Q1302-V1314 WeakPolarHBondContact CA-O 3.47Å; Q1302-M1661 HydrophobicContact CB-CB 3.93Å; Q1302-M1661 WeakPolarHBondContact O-CB 3.27Å; Q1302-M1661 PolarHBondContact O-N 3Å
1303L85.1Confident72Confident15 Ų1570.3 Ų70.38%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-107.1142.4176.1-54.3-176.8000109.8V1305 S1313 V1314 P1316 V1319 V1658 I1659 L1660L1303-V1305 HydrophobicContact CB-CG1 4.45Å; L1303-S1313 CarbonylContact O-C 3.51Å; L1303-S1313 WeakPolarHBondContact O-CA 3.48Å; L1303-V1314 HydrophobicContact CB-CG2 4.05Å; L1303-V1314 PolarHBondContact N-O 3.32Å; L1303-V1314 PolarHBondContact O-N 2.97Å; L1303-P1316 HydrophobicContact CD1-CB 4.05Å; L1303-P1316 HydrophobicContact CD1-CG 4.19Å; L1303-P1316 HydrophobicContact CD2-CG 4.38Å; L1303-P1316 HydrophobicContact CG-CB 4.45Å; L1303-P1316 HydrophobicContact CG-CG 4.03Å; L1303-V1319 HydrophobicContact CD1-CG2 3.63Å; L1303-V1658 HydrophobicContact CD1-CB 4.39Å; L1303-V1658 HydrophobicContact CD1-CG2 4.15Å; L1303-I1659 CarbonylContact C-O 3.52Å; L1303-I1659 WeakPolarHBondContact CA-O 3.4Å; L1303-L1660 HydrophobicContact CD2-CD2 3.59Å
1304L88.6Confident74Confident22 Ų2268.9 Ų68.912%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-94124.6168.7-168.163.5000109W1311 F1330 I1659 M1661L1304-W1311 HydrophobicContact CD1-CB 3.83Å; L1304-W1311 HydrophobicContact CG-CB 4.33Å; L1304-F1330 HydrophobicContact CD2-CD2 4.11Å; L1304-F1330 HydrophobicContact CD2-CE2 3.78Å; L1304-F1330 HydrophobicContact CG-CD2 4.34Å; L1304-F1330 HydrophobicContact CG-CE2 4.5Å; L1304-I1659 HydrophobicContact CB-CG1 3.9Å; L1304-I1659 HydrophobicContact CD2-CD1 4.19Å; L1304-I1659 HydrophobicContact CD2-CG1 4.36Å; L1304-I1659 PolarHBondContact N-O 3.13Å; L1304-I1659 PolarHBondContact O-N 3.45Å; L1304-M1661 HydrophobicContact CB-SD 4.23Å; L1304-M1661 HydrophobicContact CD1-SD 3.71Å; L1304-M1661 HydrophobicContact CD2-SD 4.5Å; L1304-M1661 HydrophobicContact CG-SD 4.37Å
1305V88.8Confident75.6Confident0 Ų065.7 Ų65.70%034%0.342CS..EExtended strand (participates in β ladder)trans-136.5157.6179.8-57.30000110.3L1303 I1312 V1314 L1327 V1658L1303-V1305 HydrophobicContact CB-CG1 4.45Å; V1305-I1312 HydrophobicContact CG2-CD1 4.12Å; V1305-I1312 HydrophobicContact CG2-CG1 3.64Å; V1305-I1312 PolarHBondContact N-O 3Å; V1305-I1312 PolarHBondContact O-N 3.5Å; V1305-V1314 HydrophobicContact CB-CG2 4.36Å; V1305-V1314 HydrophobicContact CG1-CG2 3.79Å; V1305-V1314 HydrophobicContact CG2-CB 4.29Å; V1305-V1314 HydrophobicContact CG2-CG1 3.71Å; V1305-V1314 HydrophobicContact CG2-CG2 3.57Å; V1305-L1327 HydrophobicContact CG2-CD1 4.32Å; V1305-L1327 HydrophobicContact CG2-CD2 3.88Å; V1305-V1658 HydrophobicContact CG1-CB 4.06Å; V1305-V1658 HydrophobicContact CG1-CG1 3.49Å; V1305-V1658 VanDerWaalsContact CG1-CG1 3.49Å
1306G87.4Confident76.9Confident2 Ų266 Ų662%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-79.9147.3172.200000110.9E1310 L1327 E1328G1306-E1310 CarbonylContact C-O 3.55Å; G1306-E1310 WeakPolarHBondContact CA-O 3.46Å; G1306-L1327 CarbonylContact O-C 3.58Å; G1306-L1327 WeakPolarHBondContact O-CA 3.46Å; G1306-E1328 WeakPolarHBondContact CA-O 3.3Å; G1306-E1328 PolarHBondContact N-O 3.06Å; G1306-E1328 PolarHBondContact O-N 3Å
1307C88.6Confident78.4Confident28 Ų2869.8 Ų69.819%0.18935%0.351CS..EExtended strand (participates in β ladder)trans-152.5121.3166.6-175.20000107.5R1309 E1310 I1312C1307-R1309 VanDerWaalsContact C-N 3.28Å; C1307-R1309 PolarHBondContact O-N 3.43Å; C1307-E1310 PolarHBondContact N-O 3.28Å; C1307-E1310 PolarHBondContact O-N 2.67Å; C1307-I1312 HydrophobicContact CB-CD1 3.5Å; C1307-I1312 HydrophobicContact CB-CG1 3.82Å; C1307-I1312 HydrophobicContact CB-CG2 4.28Å
1308D85.4Confident80.1Confident105 Ų10565.9 Ų65.956%0.56133%0.327SS*.THydrogen-bonded Turntrans46.847-179.3-65.3-25.5000114.2E1310 R1367D1308-E1310 PolarHBondContact O-N 2.67Å; D1308-R1367 IonicContact OD1-CZ 2.75Å; D1308-R1367 IonicContact OD1-NH1 2.7Å; D1308-R1367 PolarHBondContact OD1-NH1 3.02Å; D1308-R1367 IonicContact OD1-NH2 3.97Å; D1308-R1367 PolarHBondContact OD1-NH2 3.07Å
1309R77.2Confident81.3Confident226 Ų22664.1 Ų64.185%0.85332%0.322SS*.THydrogen-bonded Turntrans66.47.4-178.4-48.2179179.4-172.9-0.1115.9C1307C1307-R1309 VanDerWaalsContact C-N 3.28Å; C1307-R1309 PolarHBondContact O-N 3.43Å
1310E85Confident82.1Confident141 Ų14168.9 Ų68.966%0.65933%0.33SS*.EExtended strand (participates in β ladder)trans-107156.8170-64.7-167.3163.900111.4G1306 C1307 D1308G1306-E1310 CarbonylContact C-O 3.55Å; G1306-E1310 WeakPolarHBondContact CA-O 3.46Å; C1307-E1310 PolarHBondContact N-O 3.28Å; C1307-E1310 PolarHBondContact O-N 2.67Å; D1308-E1310 PolarHBondContact O-N 2.67Å
1311W85.4Confident82.8Confident145 Ų14569.6 Ų69.655%0.54933%0.334SS..EExtended strand (participates in β ladder)trans-95.5117.9175.5-60.7114.5000109.9L1304 F1330L1304-W1311 HydrophobicContact CD1-CB 3.83Å; L1304-W1311 HydrophobicContact CG-CB 4.33Å; W1311-F1330 AromaticContact CE3-CD2 3.99Å; W1311-F1330 HydrophobicContact CE3-CD2 3.99Å; W1311-F1330 HydrophobicContact CH2-CD2 4.13Å; W1311-F1330 WeakPolarHBondContact CH2-O 3.28Å; W1311-F1330 VanDerWaalsContact CZ3-CA 3.49Å; W1311-F1330 HydrophobicContact CZ3-CB 4.33Å; W1311-F1330 AromaticContact CZ3-CD2 3.84Å; W1311-F1330 HydrophobicContact CZ3-CD2 3.84Å; W1311-F1330 HydrophobicContact CZ3-CG 4.44Å
1312I90.6Very high83.5Confident56 Ų5668.9 Ų68.929%0.28733%0.329SS..EExtended strand (participates in β ladder)trans-114.3147.5179.862.6164.7000111.3V1305 C1307 V1314 L1327V1305-I1312 HydrophobicContact CG2-CD1 4.12Å; V1305-I1312 HydrophobicContact CG2-CG1 3.64Å; V1305-I1312 PolarHBondContact N-O 3Å; V1305-I1312 PolarHBondContact O-N 3.5Å; C1307-I1312 HydrophobicContact CB-CD1 3.5Å; C1307-I1312 HydrophobicContact CB-CG1 3.82Å; C1307-I1312 HydrophobicContact CB-CG2 4.28Å; I1312-V1314 HydrophobicContact CD1-CG1 3.64Å; I1312-V1314 HydrophobicContact CG1-CG1 3.94Å; I1312-L1327 HydrophobicContact CD1-CD2 4Å
1313S88.7Confident83.4Confident51 Ų5166 Ų6636%0.35732%0.317SS..EExtended strand (participates in β ladder)trans-90.8125.6172.5-178.90000110Q1302 L1303Q1302-S1313 WeakPolarHBondContact CB-OG 3.5Å; Q1302-S1313 VanDerWaalsContact CD-OG 3.27Å; Q1302-S1313 PolarHBondContact OE1-OG 2.94Å; L1303-S1313 CarbonylContact O-C 3.51Å; L1303-S1313 WeakPolarHBondContact O-CA 3.48Å
1314V86.4Confident83.3Confident19 Ų1975 Ų7512%0.11535%0.35CS..EExtended strand (participates in β ladder)trans-131.3160.6-177-59.70000112.2Q1302 L1303 V1305 I1312Q1302-V1314 WeakPolarHBondContact CA-O 3.47Å; L1303-V1314 HydrophobicContact CB-CG2 4.05Å; L1303-V1314 PolarHBondContact N-O 3.32Å; L1303-V1314 PolarHBondContact O-N 2.97Å; V1305-V1314 HydrophobicContact CB-CG2 4.36Å; V1305-V1314 HydrophobicContact CG1-CG2 3.79Å; V1305-V1314 HydrophobicContact CG2-CB 4.29Å; V1305-V1314 HydrophobicContact CG2-CG1 3.71Å; V1305-V1314 HydrophobicContact CG2-CG2 3.57Å; I1312-V1314 HydrophobicContact CD1-CG1 3.64Å; I1312-V1314 HydrophobicContact CG1-CG1 3.94Å
1315S82.8Confident83.1Confident40 Ų4077.6 Ų77.628%0.2836%0.363SS..  trans-75148.5169.9-177.90000110.8F1317 S1318S1315-F1317 PolarHBondContact O-N 3.43Å; S1315-F1317 VanDerWaalsContact O-N 3.12Å; S1315-F1317 VanDerWaalsContact OG-CD2 3.24Å; S1315-F1317 WeakPolarHBondContact OG-CD2 3.1Å; S1315-F1317 PolarHBondContact OG-N 3.05Å; S1315-S1318 WeakPolarHBondContact O-CB 3.49Å; S1315-S1318 PolarHBondContact O-N 3.45Å; S1315-S1318 PolarHBondContact O-OG 2.81Å
1316P76.3Confident83.1Confident37 Ų3780.2 Ų80.224%0.2438%0.381CS..G310 helixtrans-56.7-26.5172.2-23.934.1000113.3I1300 P1301 L1303 S1318 V1319I1300-P1316 VanDerWaalsContact CG2-CD 3.47Å; I1300-P1316 HydrophobicContact CG2-CG 4Å; P1301-P1316 HydrophobicContact CG-CG 4.39Å; P1301-P1316 WeakPolarHBondContact O-CD 3.37Å; P1301-P1316 WeakPolarHBondContact O-CG 3.41Å; L1303-P1316 HydrophobicContact CD1-CB 4.05Å; L1303-P1316 HydrophobicContact CD1-CG 4.19Å; L1303-P1316 HydrophobicContact CD2-CG 4.38Å; L1303-P1316 HydrophobicContact CG-CB 4.45Å; L1303-P1316 HydrophobicContact CG-CG 4.03Å; P1316-S1318 PolarHBondContact O-N 3.06Å; P1316-V1319 WeakPolarHBondContact O-CB 3.3Å; P1316-V1319 PolarHBondContact O-N 3.18Å
1317F76.7Confident83.2Confident110 Ų11080.2 Ų80.248%0.48238%0.38SS..G310 helixtrans-64.9-28.8174.9-59.5-63.8000112.7I1300 S1315 V1319 R1320I1300-F1317 HydrophobicContact CD1-CE2 3.71Å; I1300-F1317 HydrophobicContact CG1-CE2 4.31Å; I1300-F1317 HydrophobicContact CG2-CE2 4.34Å; S1315-F1317 PolarHBondContact O-N 3.43Å; S1315-F1317 VanDerWaalsContact O-N 3.12Å; S1315-F1317 VanDerWaalsContact OG-CD2 3.24Å; S1315-F1317 WeakPolarHBondContact OG-CD2 3.1Å; S1315-F1317 PolarHBondContact OG-N 3.05Å; F1317-V1319 PolarHBondContact O-N 3.32Å; F1317-R1320 PolarHBondContact O-N 2.87Å
1318S80.8Confident83.3Confident29 Ų2980.8 Ų80.820%0.20338%0.38CS..G310 helixtrans-66.1-23.8178.4-55.40000112.9S1315 P1316 R1320 L1321S1315-S1318 WeakPolarHBondContact O-CB 3.49Å; S1315-S1318 PolarHBondContact O-N 3.45Å; S1315-S1318 PolarHBondContact O-OG 2.81Å; P1316-S1318 PolarHBondContact O-N 3.06Å; S1318-R1320 PolarHBondContact O-N 3.16Å; S1318-L1321 CarbonylContact O-C 3.56Å; S1318-L1321 WeakPolarHBondContact O-CA 3.25Å; S1318-L1321 PolarHBondContact O-N 3.27Å
1319V77.3Confident83.5Confident45 Ų4576 Ų7627%0.27336%0.355SS..G310 helixtrans-60.5-28.4178.3179.20000111.7L1303 P1316 F1317 L1321 W1322L1303-V1319 HydrophobicContact CD1-CG2 3.63Å; P1316-V1319 WeakPolarHBondContact O-CB 3.3Å; P1316-V1319 PolarHBondContact O-N 3.18Å; F1317-V1319 PolarHBondContact O-N 3.32Å; V1319-L1321 PolarHBondContact O-N 2.78Å; V1319-W1322 HydrophobicContact CG1-CE3 4.23Å; V1319-W1322 WeakPolarHBondContact O-CB 3.45Å; V1319-W1322 PolarHBondContact O-N 3.28Å
1320R76Confident83.9Confident176 Ų17668.2 Ų68.266%0.66433%0.328SS*.G310 helixtrans-68.5-19.1175.8-55.8-175.3-157179.26.4113F1317 S1318 R1603F1317-R1320 PolarHBondContact O-N 2.87Å; S1318-R1320 PolarHBondContact O-N 3.16Å; R1320-R1603 PolarHBondContact O-NH1 2.65Å
1321L79.9Confident83.8Confident81 Ų8162.4 Ų62.442%0.42430%0.303SS..G310 helixtrans-109.122.5-178.9-57174.2000111.5S1318 V1319 D1323 R1324 L1325S1318-L1321 CarbonylContact O-C 3.56Å; S1318-L1321 WeakPolarHBondContact O-CA 3.25Å; S1318-L1321 PolarHBondContact O-N 3.27Å; V1319-L1321 PolarHBondContact O-N 2.78Å; L1321-D1323 VanDerWaalsContact C-N 3.31Å; L1321-D1323 PolarHBondContact O-N 3.3Å; L1321-R1324 HydrophobicContact CB-CB 4.46Å; L1321-R1324 PolarHBondContact O-N 3.4Å; L1321-L1325 HydrophobicContact CB-CD1 3.98Å; L1321-L1325 HydrophobicContact CB-CG 4.07Å; L1321-L1325 PolarHBondContact O-N 3.27Å
1322W85.2Confident83.6Confident5 Ų559 Ų592%0.01929%0.293CS..THydrogen-bonded Turntrans-43.7-51.9-173.6-172.3-76.5000114.3V1319 C1326 L1327 M1366 P1657 V1658V1319-W1322 HydrophobicContact CG1-CE3 4.23Å; V1319-W1322 WeakPolarHBondContact O-CB 3.45Å; V1319-W1322 PolarHBondContact O-N 3.28Å; W1322-C1326 PolarHBondContact O-N 3.21Å; W1322-L1327 HydrophobicContact CD2-CB 3.74Å; W1322-L1327 HydrophobicContact CD2-CD1 4.32Å; W1322-L1327 HydrophobicContact CE3-CB 4.09Å; W1322-L1327 HydrophobicContact CE3-CD1 4.01Å; W1322-L1327 HydrophobicContact CG-CB 4.04Å; W1322-L1327 HydrophobicContact CH2-CB 4.47Å; W1322-L1327 HydrophobicContact CZ2-CB 4.16Å; W1322-L1327 HydrophobicContact CZ3-CB 4.44Å; W1322-L1327 HydrophobicContact CZ3-CD1 4.49Å; W1322-L1327 PolarHBondContact NE1-O 2.97Å; W1322-L1327 PolarHBondContact O-N 3.28Å; W1322-M1366 PolarHBondContact NE1-O 2.96Å; W1322-P1657 HydrophobicContact CH2-CB 4.27Å; W1322-V1658 HydrophobicContact CH2-CG1 4.08Å; W1322-V1658 HydrophobicContact CZ3-CG1 3.63Å
1323D79.1Confident83.4Confident54 Ų5458.9 Ų58.929%0.28930%0.296SS..THydrogen-bonded Turntrans-69.2-42.7179.852.6-22.5000112.6L1321 L1325 C1326 R1603L1321-D1323 VanDerWaalsContact C-N 3.31Å; L1321-D1323 PolarHBondContact O-N 3.3Å; D1323-L1325 VanDerWaalsContact C-N 3.26Å; D1323-L1325 PolarHBondContact O-N 3.47Å; D1323-C1326 PolarHBondContact O-N 3.43Å; D1323-R1603 IonicContact OD1-CZ 2.66Å; D1323-R1603 VanDerWaalsContact OD1-CZ 3.23Å; D1323-R1603 IonicContact OD1-NE 2.9Å; D1323-R1603 IonicContact OD1-NH1 3.22Å; D1323-R1603 IonicContact OD1-NH2 3.88Å; D1323-R1603 PolarHBondContact OD1-NH2 3.21Å; D1323-R1603 IonicContact OD2-CZ 2.98Å; D1323-R1603 IonicContact OD2-NE 2.65Å; D1323-R1603 IonicContact OD2-NH2 2.88Å; D1323-R1603 PolarHBondContact OD2-NH2 3.11Å
1324R82.5Confident83.3Confident204 Ų20456.5 Ų56.577%0.7728%0.28SS*.THydrogen-bonded Turntrans-66.6-29.2178.2-66.4-166.9179.4-168.3-1.1113.1L1321L1321-R1324 HydrophobicContact CB-CB 4.46Å; L1321-R1324 PolarHBondContact O-N 3.4Å
1325L86.1Confident83.5Confident76 Ų7656.2 Ų56.240%0.39828%0.278SS..THydrogen-bonded Turntrans-94.14.3177.8-65.8176.6000112.5L1321 D1323 L1327L1321-L1325 HydrophobicContact CB-CD1 3.98Å; L1321-L1325 HydrophobicContact CB-CG 4.07Å; L1321-L1325 PolarHBondContact O-N 3.27Å; D1323-L1325 VanDerWaalsContact C-N 3.26Å; D1323-L1325 PolarHBondContact O-N 3.47Å; L1325-L1327 HydrophobicContact CB-CD1 4.41Å; L1325-L1327 HydrophobicContact CB-CD2 3.9Å; L1325-L1327 HydrophobicContact CB-CG 3.81Å; L1325-L1327 PolarHBondContact O-N 2.8Å
1326C88Confident83.9Confident54 Ų5454.4 Ų54.437%0.36527%0.265SS..THydrogen-bonded Turntrans52.835.9-178.8-65.60000113.6W1322 D1323W1322-C1326 PolarHBondContact O-N 3.21Å; D1323-C1326 PolarHBondContact O-N 3.43Å
1327L89.7Confident84.6Confident2 Ų252.6 Ų52.61%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-69.3151.4-177.9-57.5-175.9000111.6V1305 G1306 I1312 W1322 L1325V1305-L1327 HydrophobicContact CG2-CD1 4.32Å; V1305-L1327 HydrophobicContact CG2-CD2 3.88Å; G1306-L1327 CarbonylContact O-C 3.58Å; G1306-L1327 WeakPolarHBondContact O-CA 3.46Å; I1312-L1327 HydrophobicContact CD1-CD2 4Å; W1322-L1327 HydrophobicContact CD2-CB 3.74Å; W1322-L1327 HydrophobicContact CD2-CD1 4.32Å; W1322-L1327 HydrophobicContact CE3-CB 4.09Å; W1322-L1327 HydrophobicContact CE3-CD1 4.01Å; W1322-L1327 HydrophobicContact CG-CB 4.04Å; W1322-L1327 HydrophobicContact CH2-CB 4.47Å; W1322-L1327 HydrophobicContact CZ2-CB 4.16Å; W1322-L1327 HydrophobicContact CZ3-CB 4.44Å; W1322-L1327 HydrophobicContact CZ3-CD1 4.49Å; W1322-L1327 PolarHBondContact NE1-O 2.97Å; W1322-L1327 PolarHBondContact O-N 3.28Å; L1325-L1327 HydrophobicContact CB-CD1 4.41Å; L1325-L1327 HydrophobicContact CB-CD2 3.9Å; L1325-L1327 HydrophobicContact CB-CG 3.81Å; L1325-L1327 PolarHBondContact O-N 2.8Å
1328E90.7Very high85.4Confident41 Ų4147.6 Ų47.619%0.19223%0.231CC..EExtended strand (participates in β ladder)trans-124.6150.2178.5-67.2-179.4177.500110.2G1306 R1367G1306-E1328 WeakPolarHBondContact CA-O 3.3Å; G1306-E1328 PolarHBondContact N-O 3.06Å; G1306-E1328 PolarHBondContact O-N 3Å; E1328-R1367 HydrophobicContact CG-CB 3.84Å; E1328-R1367 HydrophobicContact CG-CG 4.25Å; E1328-R1367 VanDerWaalsContact OE1-CD 3.22Å; E1328-R1367 WeakPolarHBondContact OE1-CD 3.45Å; E1328-R1367 IonicContact OE1-CZ 3.45Å; E1328-R1367 IonicContact OE1-NE 3.41Å; E1328-R1367 IonicContact OE1-NH1 3.2Å; E1328-R1367 PolarHBondContact OE1-NH1 3.04Å
1329P89.4Confident85.9Confident5 Ų546.5 Ų46.53%0.03222%0.223CC..  trans-66.4148-179.227.5-34.3000112.1A1331 P1333 L1368 F1610 P1657P1329-A1331 CarbonylContact C-O 3.51Å; P1329-A1331 WeakPolarHBondContact CB-O 3.32Å; P1329-A1331 WeakPolarHBondContact CG-O 3.46Å; P1329-P1333 HydrophobicContact CG-CG 4.4Å; P1329-L1368 HydrophobicContact CB-CD2 3.97Å; P1329-L1368 HydrophobicContact CG-CD2 3.83Å; P1329-F1610 HydrophobicContact CB-CE1 3.81Å; P1329-F1610 HydrophobicContact CB-CE2 4.24Å; P1329-F1610 HydrophobicContact CB-CZ 3.5Å; P1329-F1610 VanDerWaalsContact CB-CZ 3.5Å; P1329-F1610 HydrophobicContact CG-CE2 4.16Å; P1329-F1610 HydrophobicContact CG-CZ 3.87Å; P1329-P1657 CarbonylContact C-O 3.52Å; P1329-P1657 WeakPolarHBondContact CA-O 3.41Å
1330F85.1Confident86.7Confident62 Ų6244.3 Ų44.327%0.27221%0.21SC..SBendtrans-60.9-42.7171.4177.7-97.7000112.4L1304 W1311 P1657 I1659L1304-F1330 HydrophobicContact CD2-CD2 4.11Å; L1304-F1330 HydrophobicContact CD2-CE2 3.78Å; L1304-F1330 HydrophobicContact CG-CD2 4.34Å; L1304-F1330 HydrophobicContact CG-CE2 4.5Å; W1311-F1330 AromaticContact CE3-CD2 3.99Å; W1311-F1330 HydrophobicContact CE3-CD2 3.99Å; W1311-F1330 HydrophobicContact CH2-CD2 4.13Å; W1311-F1330 WeakPolarHBondContact CH2-O 3.28Å; W1311-F1330 VanDerWaalsContact CZ3-CA 3.49Å; W1311-F1330 HydrophobicContact CZ3-CB 4.33Å; W1311-F1330 AromaticContact CZ3-CD2 3.84Å; W1311-F1330 HydrophobicContact CZ3-CD2 3.84Å; W1311-F1330 HydrophobicContact CZ3-CG 4.44Å; F1330-P1657 PolarHBondContact N-O 3.18Å; F1330-I1659 HydrophobicContact CD1-CD1 4.18Å; F1330-I1659 HydrophobicContact CD1-CG1 4.17Å; F1330-I1659 HydrophobicContact CD1-CG2 3.66Å; F1330-I1659 HydrophobicContact CD2-CD1 4.02Å; F1330-I1659 HydrophobicContact CD2-CG1 3.92Å; F1330-I1659 HydrophobicContact CE1-CD1 3.76Å; F1330-I1659 HydrophobicContact CE1-CG1 4.26Å; F1330-I1659 HydrophobicContact CE1-CG2 4Å; F1330-I1659 HydrophobicContact CE2-CD1 3.58Å; F1330-I1659 HydrophobicContact CE2-CG1 4.02Å; F1330-I1659 HydrophobicContact CG-CD1 4.3Å; F1330-I1659 HydrophobicContact CG-CG1 4Å; F1330-I1659 HydrophobicContact CG-CG2 4.12Å; F1330-I1659 HydrophobicContact CZ-CD1 3.44Å; F1330-I1659 VanDerWaalsContact CZ-CD1 3.44Å; F1330-I1659 HydrophobicContact CZ-CG1 4.19Å
1331A83.7Confident87.5Confident18 Ų1836 Ų3615%0.14918%0.178CC..SBendtrans-77.8155.817100000111.3P1329 F1610 A1656P1329-A1331 CarbonylContact C-O 3.51Å; P1329-A1331 WeakPolarHBondContact CB-O 3.32Å; P1329-A1331 WeakPolarHBondContact CG-O 3.46Å; A1331-F1610 HydrophobicContact CB-CE1 4.5Å; A1331-F1610 HydrophobicContact CB-CZ 4.07Å; A1331-A1656 WeakPolarHBondContact CB-O 3.46Å; A1331-A1656 PolarHBondContact N-O 2.6Å
1332Q81.2Confident88.1Confident73 Ų7332.1 Ų32.134%0.34116%0.158SC..PPolyproline II helixtrans-56.1138.2176.2-173.8-179.912.800111.5T1509Q1332-T1509 PolarHBondContact NE2-O 3Å
1333P86.4Confident88.3Confident54 Ų5432.9 Ų32.935%0.35116%0.164SC..PPolyproline II helixtrans-47.9145.6172.3-30.736.8000113.6P1329 L1368 R1614P1329-P1333 HydrophobicContact CG-CG 4.4Å; P1333-L1368 CarbonylContact C-O 3.06Å; P1333-L1368 WeakPolarHBondContact CA-O 3.42Å; P1333-R1614 PolarHBondContact O-NH1 3.12Å
1334K86.8Confident88.7Confident2 Ų233.5 Ų33.51%0.00917%0.167CC..  trans-114.1114.3-179.8-72.2179.4177.3177.30109.6V1336 Y1363 L1368 F1610 Q1612 S1655K1334-V1336 PolarHBondContact O-N 2.87Å; K1334-Y1363 WeakPolarHBondContact O-CE1 3.34Å; K1334-Y1363 PolarHBondContact O-OH 3.04Å; K1334-L1368 PolarHBondContact N-O 3.08Å; K1334-F1610 HydrophobicContact CB-CD2 4.1Å; K1334-F1610 HydrophobicContact CB-CE2 4.24Å; K1334-F1610 HydrophobicContact CD-CD2 3.91Å; K1334-F1610 HydrophobicContact CD-CE2 4.08Å; K1334-F1610 HydrophobicContact CG-CD2 4.07Å; K1334-F1610 HydrophobicContact CG-CE2 3.92Å; K1334-F1610 PolarHBondContact NZ-O 2.9Å; K1334-Q1612 PolarHBondContact NZ-O 3.34Å; K1334-S1655 WeakPolarHBondContact CE-OG 3.12Å; K1334-S1655 PolarHBondContact NZ-OG 3.38Å
1335D90.5Very high88.9Confident13 Ų1326.1 Ų26.17%0.0715%0.147CC..  trans-70.4129.2165.5-79.5-10.7000109.6R1370 F1451 H1514 V1515D1335-R1370 WeakPolarHBondContact OD1-CB 3.4Å; D1335-R1370 PolarHBondContact OD1-N 2.91Å; D1335-R1370 IonicContact OD1-NE 3.62Å; D1335-R1370 PolarHBondContact OD1-NE 2.91Å; D1335-R1370 IonicContact OD2-CZ 3.24Å; D1335-R1370 IonicContact OD2-NE 2.74Å; D1335-R1370 PolarHBondContact OD2-NE 3Å; D1335-R1370 IonicContact OD2-NH2 2.72Å; D1335-R1370 PolarHBondContact OD2-NH2 3.18Å; D1335-F1451 HydrophobicContact CB-CE1 4.4Å; D1335-F1451 HydrophobicContact CB-CE2 4.22Å; D1335-F1451 HydrophobicContact CB-CZ 3.74Å; D1335-H1514 HydrophobicContact CB-CB 3.85Å; D1335-H1514 CarbonylContact O-C 3.54Å; D1335-H1514 WeakPolarHBondContact O-CA 3.33Å; D1335-H1514 VanDerWaalsContact O-CB 3.28Å; D1335-H1514 WeakPolarHBondContact O-CB 3.44Å; D1335-V1515 PolarHBondContact O-N 2.86Å
1336V91Very high88.8Confident1 Ų130.1 Ų30.11%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-120.7134.2-178.21750000109.7K1334 Y1363 R1370 H1371 C1372 V1515 V1517 V1609K1334-V1336 PolarHBondContact O-N 2.87Å; V1336-Y1363 HydrophobicContact CG2-CE1 4.3Å; V1336-R1370 PolarHBondContact N-O 2.88Å; V1336-H1371 VanDerWaalsContact CG1-CD2 3.44Å; V1336-H1371 WeakPolarHBondContact CG1-CD2 3.44Å; V1336-H1371 WeakPolarHBondContact O-CA 3.35Å; V1336-C1372 PolarHBondContact O-N 2.91Å; V1336-V1515 WeakPolarHBondContact CA-O 3.26Å; V1336-V1517 HydrophobicContact CG1-CB 4.05Å; V1336-V1517 HydrophobicContact CG1-CG2 3.46Å; V1336-V1517 VanDerWaalsContact CG1-CG2 3.46Å; V1336-V1609 HydrophobicContact CG2-CG1 4.27Å
1337V91Very high88.7Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-118.6136.5170.4-178.10000108C1372 I1374 V1450 F1451 H1514 V1515 V1516 V1517V1337-C1372 CarbonylContact C-O 3.49Å; V1337-C1372 VanDerWaalsContact CA-O 3.28Å; V1337-C1372 WeakPolarHBondContact CA-O 3.44Å; V1337-I1374 HydrophobicContact CG1-CB 4.46Å; V1337-I1374 HydrophobicContact CG1-CD1 3.63Å; V1337-I1374 HydrophobicContact CG1-CG1 3.13Å; V1337-V1450 HydrophobicContact CG1-CG1 4.09Å; V1337-V1450 HydrophobicContact CG2-CG1 4.49Å; V1337-F1451 HydrophobicContact CG2-CE1 3.8Å; V1337-F1451 HydrophobicContact CG2-CE2 3.62Å; V1337-F1451 HydrophobicContact CG2-CZ 3.18Å; V1337-H1514 WeakPolarHBondContact CG2-CD2 3.46Å; V1337-V1515 PolarHBondContact N-O 3.32Å; V1337-V1516 CarbonylContact O-C 3.55Å; V1337-V1516 VanDerWaalsContact O-CA 3.3Å; V1337-V1516 WeakPolarHBondContact O-CA 3.45Å; V1337-V1517 PolarHBondContact O-N 3.1Å
1338F92.7Very high88.7Confident4 Ų433.4 Ų33.42%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-130.7154.7-174.277.8-91.7000116A1340 F1356 H1371 C1372 P1373 I1374 V1517 Y1519F1338-A1340 HydrophobicContact CD2-CB 4.49Å; F1338-A1340 HydrophobicContact CE2-CB 4.49Å; F1338-F1356 HydrophobicContact CD2-CD1 4.4Å; F1338-F1356 HydrophobicContact CE2-CB 3.99Å; F1338-F1356 AromaticContact CE2-CD1 3.98Å; F1338-F1356 HydrophobicContact CE2-CD1 3.98Å; F1338-F1356 AromaticContact CE2-CG 3.92Å; F1338-F1356 HydrophobicContact CE2-CG 3.92Å; F1338-F1356 HydrophobicContact CZ-CB 3.81Å; F1338-F1356 HydrophobicContact CZ-CD1 4.36Å; F1338-F1356 HydrophobicContact CZ-CG 4.23Å; F1338-H1371 AromaticContact CD1-CE1 3.14Å; F1338-H1371 WeakPolarHBondContact CD1-CE1 3.36Å; F1338-H1371 AromaticContact CD1-ND1 3.59Å; F1338-H1371 AromaticContact CD1-NE2 3.66Å; F1338-H1371 AromaticContact CE1-CE1 3.35Å; F1338-H1371 WeakPolarHBondContact CE1-CE1 3.41Å; F1338-H1371 AromaticContact CE1-ND1 3.56Å; F1338-H1371 AromaticContact CG-CE1 3.89Å; F1338-C1372 VanDerWaalsContact CD1-C 3.43Å; F1338-C1372 VanDerWaalsContact CD1-O 3.25Å; F1338-C1372 WeakPolarHBondContact CD1-O 3.33Å; F1338-C1372 VanDerWaalsContact CE1-C 3.45Å; F1338-C1372 PolarHBondContact N-O 3.19Å; F1338-P1373 HydrophobicContact CE1-CB 3.91Å; F1338-P1373 HydrophobicContact CE1-CG 4.35Å; F1338-P1373 VanDerWaalsContact CE1-N 3.29Å; F1338-P1373 HydrophobicContact CE2-CB 4.1Å; F1338-P1373 HydrophobicContact CZ-CB 3.64Å; F1338-P1373 HydrophobicContact CZ-CG 4.25Å; F1338-I1374 PolarHBondContact O-N 2.79Å; F1338-I1374 VanDerWaalsContact O-N 3.11Å; F1338-V1517 WeakPolarHBondContact CA-O 3.1Å; F1338-V1517 HydrophobicContact CB-CB 4.33Å; F1338-V1517 WeakPolarHBondContact CB-O 3.43Å; F1338-Y1519 HydrophobicContact CB-CD2 3.76Å; F1338-Y1519 HydrophobicContact CB-CE2 3.51Å; F1338-Y1519 AromaticContact CD2-CD2 3.85Å; F1338-Y1519 HydrophobicContact CD2-CD2 3.85Å; F1338-Y1519 HydrophobicContact CD2-CE2 4.04Å; F1338-Y1519 HydrophobicContact CG-CD2 4.02Å; F1338-Y1519 AromaticContact CG-CE2 3.79Å; F1338-Y1519 HydrophobicContact CG-CE2 3.79Å
1339I92.7Very high88.6Confident6 Ų631.8 Ų31.83%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-126.2130.7162.5-61.5173.6000108.3I1374 L1378 G1381 M1383 L1434 I1438 V1517 Y1519I1339-I1374 HydrophobicContact CD1-CD1 3.91Å; I1339-I1374 HydrophobicContact CG1-CB 4.16Å; I1339-I1374 HydrophobicContact CG1-CD1 3.85Å; I1339-I1374 HydrophobicContact CG1-CG1 4.11Å; I1339-L1378 HydrophobicContact CG2-CD1 3.97Å; I1339-G1381 WeakPolarHBondContact CA-O 3.45Å; I1339-M1383 HydrophobicContact CG2-CB 4.25Å; I1339-L1434 HydrophobicContact CB-CD1 4.28Å; I1339-L1434 HydrophobicContact CD1-CD1 3.63Å; I1339-L1434 HydrophobicContact CG2-CD1 3.71Å; I1339-I1438 HydrophobicContact CD1-CG1 4.02Å; I1339-V1517 PolarHBondContact N-O 3.18Å; I1339-Y1519 PolarHBondContact O-N 2.97Å
1340A93.4Very high88.6Confident0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-104.9123.2175.700000111.3F1338 V1342 F1356 G1381 I1382 M1383 Y1519F1338-A1340 HydrophobicContact CD2-CB 4.49Å; F1338-A1340 HydrophobicContact CE2-CB 4.49Å; A1340-V1342 HydrophobicContact CB-CG2 4.11Å; A1340-F1356 HydrophobicContact CB-CD2 3.89Å; A1340-F1356 HydrophobicContact CB-CE1 4.25Å; A1340-F1356 HydrophobicContact CB-CE2 3.3Å; A1340-F1356 HydrophobicContact CB-CZ 3.51Å; A1340-G1381 PolarHBondContact N-O 2.62Å; A1340-I1382 HydrophobicContact CB-CG1 4.46Å; A1340-I1382 CarbonylContact O-C 3.34Å; A1340-I1382 WeakPolarHBondContact O-CA 3.32Å; A1340-M1383 PolarHBondContact O-N 2.88Å; A1340-Y1519 CarbonylContact C-O 3.5Å; A1340-Y1519 WeakPolarHBondContact CA-O 3.25Å
1341V93.5Very high88.8Confident0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-93.9115.5173.9-173.60000108.7M1383 V1385 Y1426 L1434 I1518 Y1519 L1520 V1521V1341-M1383 WeakPolarHBondContact CA-O 3.44Å; V1341-M1383 HydrophobicContact CG2-CB 4.36Å; V1341-V1385 HydrophobicContact CG1-CG2 3.38Å; V1341-Y1426 HydrophobicContact CG1-CD1 4.17Å; V1341-Y1426 HydrophobicContact CG1-CE1 4.01Å; V1341-L1434 HydrophobicContact CG2-CD2 3.71Å; V1341-I1518 HydrophobicContact CG2-CG2 4.48Å; V1341-Y1519 PolarHBondContact N-O 2.81Å; V1341-L1520 HydrophobicContact CB-CD2 3.59Å; V1341-L1520 HydrophobicContact CG1-CD2 4.09Å; V1341-L1520 HydrophobicContact CG2-CD2 3.62Å; V1341-V1521 WeakPolarHBondContact O-CB 3.49Å; V1341-V1521 PolarHBondContact O-N 2.97Å
1342V91.4Very high89.1Confident0 Ų036.4 Ų36.40%017%0.174CC..EExtended strand (participates in β ladder)trans-130.7142.1-167.9-175.60000110.2A1340 D1344 V1348 V1349 A1352 I1382 M1383 R1384 V1385 V1521A1340-V1342 HydrophobicContact CB-CG2 4.11Å; V1342-D1344 PolarHBondContact O-N 3.21Å; V1342-V1348 HydrophobicContact CG1-CG1 3.62Å; V1342-V1349 HydrophobicContact CG1-CG2 4.44Å; V1342-A1352 HydrophobicContact CG1-CB 4.06Å; V1342-A1352 HydrophobicContact CG2-CB 4.12Å; V1342-I1382 HydrophobicContact CB-CG2 3.89Å; V1342-I1382 HydrophobicContact CG2-CG2 3.72Å; V1342-M1383 PolarHBondContact N-O 2.77Å; V1342-R1384 CarbonylContact O-C 3.53Å; V1342-R1384 WeakPolarHBondContact O-CA 3.49Å; V1342-V1385 PolarHBondContact O-N 3.42Å; V1342-V1521 HydrophobicContact CG2-CG2 3.91Å
1343P89.7Confident89.6Confident21 Ų2137.1 Ų37.114%0.13617%0.174CC..EExtended strand (participates in β ladder)trans-55.2138.7171.4-19.426.1000112.5S1345 Y1426 P1523P1343-S1345 VanDerWaalsContact C-N 3.28Å; P1343-S1345 PolarHBondContact O-N 3.08Å; P1343-Y1426 VanDerWaalsContact CD-OH 3.28Å; P1343-Y1426 WeakPolarHBondContact CD-OH 3.33Å; P1343-Y1426 VanDerWaalsContact CG-OH 3.29Å; P1343-Y1426 WeakPolarHBondContact CG-OH 3.49Å; P1343-P1523 HydrophobicContact CG-CB 3.71Å; P1343-P1523 HydrophobicContact CG-CG 4.05Å
1344D87.9Confident89.7Confident67 Ų6737.6 Ų37.636%0.35817%0.174SC..SBendtrans-75.679.8179.7-166.319.4000111V1342 R1384 V1385V1342-D1344 PolarHBondContact O-N 3.21Å; D1344-R1384 HydrophobicContact CB-CB 4.08Å; D1344-V1385 WeakPolarHBondContact CB-O 3.35Å; D1344-V1385 PolarHBondContact N-O 3.48Å
1345S86Confident89.9Confident49 Ų4937.9 Ų37.934%0.34318%0.175SC..  trans-134.5128.1171.2166.30000108.5P1343 Y1347 V1348 V1349P1343-S1345 VanDerWaalsContact C-N 3.28Å; P1343-S1345 PolarHBondContact O-N 3.08Å; S1345-Y1347 PolarHBondContact O-N 3.41Å; S1345-V1348 PolarHBondContact O-N 2.9Å; S1345-V1348 VanDerWaalsContact O-N 3.11Å; S1345-V1349 WeakPolarHBondContact O-CB 3.29Å; S1345-V1349 VanDerWaalsContact O-CG2 3.31Å; S1345-V1349 WeakPolarHBondContact O-CG2 3.5Å; S1345-V1349 PolarHBondContact O-N 2.81Å
1346H84.7Confident90.1Very high161 Ų16137.6 Ų37.675%0.74517%0.173SC*.Hα-helixtrans-58-36.9-176-161.8-83.8000112.2R1350H1346-R1350 WeakPolarHBondContact O-CB 3.29Å; H1346-R1350 PolarHBondContact O-N 2.84Å; H1346-R1350 VanDerWaalsContact O-N 3.11Å
1347Y85.7Confident90.1Very high111 Ų11142.9 Ų42.944%0.43519%0.193SC..Hα-helixtrans-66.2-50.9175.1-178.8-104.4000111.7S1345 V1349 R1350 K1351 L1573S1345-Y1347 PolarHBondContact O-N 3.41Å; Y1347-V1349 PolarHBondContact O-N 2.84Å; Y1347-R1350 PolarHBondContact O-N 2.82Å; Y1347-K1351 HydrophobicContact CE1-CG 4.21Å; Y1347-K1351 HydrophobicContact CE2-CG 4.34Å; Y1347-K1351 WeakPolarHBondContact O-CG 3.33Å; Y1347-K1351 PolarHBondContact O-N 2.72Å; Y1347-K1351 WeakPolarHBondContact OH-CE 3.48Å; Y1347-L1573 HydrophobicContact CD1-CD2 4.37Å; Y1347-L1573 HydrophobicContact CE1-CD2 3.87Å
1348V88.2Confident90.1Very high14 Ų1446.4 Ų46.49%0.08521%0.209CC..Hα-helixtrans-62.7-43.5-179.6178.80000111.2V1342 S1345 R1350 K1351 A1352 L1569 L1572V1342-V1348 HydrophobicContact CG1-CG1 3.62Å; S1345-V1348 PolarHBondContact O-N 2.9Å; S1345-V1348 VanDerWaalsContact O-N 3.11Å; V1348-R1350 VanDerWaalsContact C-N 3.34Å; V1348-R1350 PolarHBondContact O-N 3.1Å; V1348-K1351 PolarHBondContact O-N 3.42Å; V1348-A1352 VanDerWaalsContact O-CB 3.26Å; V1348-A1352 WeakPolarHBondContact O-CB 3.05Å; V1348-A1352 PolarHBondContact O-N 2.8Å; V1348-L1569 HydrophobicContact CG1-CD1 3.6Å; V1348-L1569 HydrophobicContact CG2-CD1 4.37Å; V1348-L1572 HydrophobicContact CG1-CD2 4.36Å
1349V90.6Very high90.1Very high6 Ų646.2 Ų46.24%0.03621%0.209CC..Hα-helixtrans-63.2-39.6178.1171.80000111.4V1342 S1345 Y1347 A1352 R1353 R1384V1342-V1349 HydrophobicContact CG1-CG2 4.44Å; S1345-V1349 WeakPolarHBondContact O-CB 3.29Å; S1345-V1349 VanDerWaalsContact O-CG2 3.31Å; S1345-V1349 WeakPolarHBondContact O-CG2 3.5Å; S1345-V1349 PolarHBondContact O-N 2.81Å; Y1347-V1349 PolarHBondContact O-N 2.84Å; V1349-A1352 PolarHBondContact O-N 2.77Å; V1349-R1353 PolarHBondContact O-N 2.88Å; V1349-R1384 HydrophobicContact CG2-CG 4.13Å
1350R89.3Confident90.1Very high167 Ų16746.7 Ų46.763%0.6321%0.212SC*.Hα-helixtrans-62.4-48.2174.6-178.5-179.8174.3117.9-2.4111H1346 Y1347 V1348 R1353 N1354H1346-R1350 WeakPolarHBondContact O-CB 3.29Å; H1346-R1350 PolarHBondContact O-N 2.84Å; H1346-R1350 VanDerWaalsContact O-N 3.11Å; Y1347-R1350 PolarHBondContact O-N 2.82Å; V1348-R1350 VanDerWaalsContact C-N 3.34Å; V1348-R1350 PolarHBondContact O-N 3.1Å; R1350-R1353 PolarHBondContact O-N 2.95Å; R1350-N1354 PolarHBondContact O-N 2.77Å
1351K88.1Confident90.1Very high16 Ų1653.5 Ų53.57%0.0724%0.238CC..Hα-helixtrans-65.1-39178.5-64.1-57.2-160.3171.10111.8Y1347 V1348 R1353 N1354 F1355 L1572 A1576 E1580Y1347-K1351 HydrophobicContact CE1-CG 4.21Å; Y1347-K1351 HydrophobicContact CE2-CG 4.34Å; Y1347-K1351 WeakPolarHBondContact O-CG 3.33Å; Y1347-K1351 PolarHBondContact O-N 2.72Å; Y1347-K1351 WeakPolarHBondContact OH-CE 3.48Å; V1348-K1351 PolarHBondContact O-N 3.42Å; K1351-R1353 PolarHBondContact O-N 3.05Å; K1351-N1354 PolarHBondContact O-N 3.09Å; K1351-F1355 WeakPolarHBondContact O-CB 3.41Å; K1351-F1355 PolarHBondContact O-N 3.13Å; K1351-L1572 HydrophobicContact CB-CD2 3.72Å; K1351-A1576 HydrophobicContact CD-CB 3.43Å; K1351-A1576 VanDerWaalsContact CD-CB 3.43Å; K1351-A1576 HydrophobicContact CG-CB 4.25Å; K1351-A1576 PolarHBondContact NZ-O 2.81Å; K1351-A1576 VanDerWaalsContact NZ-O 3.08Å; K1351-E1580 IonicContact NZ-OE1 2.96Å; K1351-E1580 PolarHBondContact NZ-OE1 3.42Å
1352A91Very high89.9Confident0 Ų054.1 Ų54.10%024%0.242CC..Hα-helixtrans-59.8-44175.800000112V1342 V1348 V1349 N1354 F1355 F1356 I1382 L1572V1342-A1352 HydrophobicContact CG1-CB 4.06Å; V1342-A1352 HydrophobicContact CG2-CB 4.12Å; V1348-A1352 VanDerWaalsContact O-CB 3.26Å; V1348-A1352 WeakPolarHBondContact O-CB 3.05Å; V1348-A1352 PolarHBondContact O-N 2.8Å; V1349-A1352 PolarHBondContact O-N 2.77Å; A1352-N1354 VanDerWaalsContact C-N 3.3Å; A1352-N1354 PolarHBondContact O-N 3.25Å; A1352-F1355 PolarHBondContact O-N 3.19Å; A1352-F1356 HydrophobicContact CB-CD2 4.5Å; A1352-F1356 HydrophobicContact CB-CE2 4.49Å; A1352-F1356 WeakPolarHBondContact O-CD2 3.18Å; A1352-F1356 PolarHBondContact O-N 3.09Å; A1352-I1382 HydrophobicContact CB-CD1 4.29Å; A1352-L1572 HydrophobicContact CB-CD1 3.75Å; A1352-L1572 HydrophobicContact CB-CD2 4.28Å; A1352-L1572 HydrophobicContact CB-CG 4.43Å
1353R91.4Very high90Very high87 Ų8754.1 Ų54.133%0.32824%0.242SC..Hα-helixtrans-59.1-41.4177.5-165.9-170.2-51.5-88-18.1112.1V1349 R1350 K1351 R1357 D1380 I1382V1349-R1353 PolarHBondContact O-N 2.88Å; R1350-R1353 PolarHBondContact O-N 2.95Å; K1351-R1353 PolarHBondContact O-N 3.05Å; R1353-R1357 WeakPolarHBondContact O-CB 3.39Å; R1353-R1357 PolarHBondContact O-N 2.78Å; R1353-R1357 VanDerWaalsContact O-N 3.16Å; R1353-D1380 IonicContact CZ-OD2 2.73Å; R1353-D1380 IonicContact NH1-OD2 3.1Å; R1353-D1380 PolarHBondContact NH1-OD2 2.93Å; R1353-D1380 IonicContact NH2-OD2 2.84Å; R1353-D1380 PolarHBondContact NH2-OD2 2.92Å; R1353-I1382 HydrophobicContact CB-CD1 4.17Å
1354N89Confident90.1Very high65 Ų6557.5 Ų57.535%0.34826%0.256SS..Hα-helixtrans-69.4-44.5176.6-71.9-3.3000111.2R1350 K1351 A1352 F1356 R1357 E1358R1350-N1354 PolarHBondContact O-N 2.77Å; K1351-N1354 PolarHBondContact O-N 3.09Å; A1352-N1354 VanDerWaalsContact C-N 3.3Å; A1352-N1354 PolarHBondContact O-N 3.25Å; N1354-F1356 PolarHBondContact O-N 3.41Å; N1354-R1357 PolarHBondContact O-N 3.22Å; N1354-R1357 PolarHBondContact OD1-NH1 2.79Å; N1354-E1358 PolarHBondContact O-N 3.36Å
1355F90.9Very high90.2Very high8 Ų857.3 Ų57.34%0.03526%0.263CS..Hα-helixtrans-55.7-51.6177.4179.9-86.6000112.2K1351 A1352 R1357 E1358 L1359 I1567 L1572 F1602 L1605K1351-F1355 WeakPolarHBondContact O-CB 3.41Å; K1351-F1355 PolarHBondContact O-N 3.13Å; A1352-F1355 PolarHBondContact O-N 3.19Å; F1355-R1357 VanDerWaalsContact C-N 3.34Å; F1355-R1357 PolarHBondContact O-N 3.31Å; F1355-E1358 PolarHBondContact O-N 2.99Å; F1355-L1359 HydrophobicContact CE1-CD2 4.44Å; F1355-L1359 PolarHBondContact O-N 3.3Å; F1355-I1567 HydrophobicContact CE1-CD1 3.9Å; F1355-I1567 HydrophobicContact CZ-CD1 4.38Å; F1355-I1567 HydrophobicContact CZ-CG2 4.43Å; F1355-L1572 HydrophobicContact CB-CG 4.3Å; F1355-L1572 HydrophobicContact CG-CG 4.42Å; F1355-F1602 HydrophobicContact CD1-CE1 4.31Å; F1355-F1602 AromaticContact CD2-CE1 3.59Å; F1355-F1602 HydrophobicContact CD2-CE1 3.59Å; F1355-F1602 AromaticContact CD2-CZ 3.64Å; F1355-F1602 HydrophobicContact CD2-CZ 3.64Å; F1355-F1602 HydrophobicContact CE1-CE1 4.18Å; F1355-F1602 HydrophobicContact CE2-CD1 4.36Å; F1355-F1602 AromaticContact CE2-CE1 3.45Å; F1355-F1602 HydrophobicContact CE2-CE1 3.45Å; F1355-F1602 VanDerWaalsContact CE2-CE1 3.45Å; F1355-F1602 AromaticContact CE2-CZ 3.81Å; F1355-F1602 HydrophobicContact CE2-CZ 3.81Å; F1355-F1602 HydrophobicContact CG-CE1 4.03Å; F1355-F1602 HydrophobicContact CG-CZ 4.27Å; F1355-F1602 HydrophobicContact CZ-CD1 4.41Å; F1355-F1602 AromaticContact CZ-CE1 3.76Å; F1355-F1602 HydrophobicContact CZ-CE1 3.76Å; F1355-F1602 WeakPolarHBondContact O-CE1 3.26Å; F1355-L1605 HydrophobicContact CE1-CD2 3.99Å; F1355-L1605 HydrophobicContact CZ-CD2 3.71Å
1356F93.1Very high90.4Very high6 Ų655.1 Ų55.13%0.02625%0.248CC..Hα-helixtrans-71.2-28.9-179.1-73-67.4000113F1338 A1340 A1352 N1354 E1358 L1359 S1360 Y1519 I1567F1338-F1356 HydrophobicContact CD2-CD1 4.4Å; F1338-F1356 HydrophobicContact CE2-CB 3.99Å; F1338-F1356 AromaticContact CE2-CD1 3.98Å; F1338-F1356 HydrophobicContact CE2-CD1 3.98Å; F1338-F1356 AromaticContact CE2-CG 3.92Å; F1338-F1356 HydrophobicContact CE2-CG 3.92Å; F1338-F1356 HydrophobicContact CZ-CB 3.81Å; F1338-F1356 HydrophobicContact CZ-CD1 4.36Å; F1338-F1356 HydrophobicContact CZ-CG 4.23Å; A1340-F1356 HydrophobicContact CB-CD2 3.89Å; A1340-F1356 HydrophobicContact CB-CE1 4.25Å; A1340-F1356 HydrophobicContact CB-CE2 3.3Å; A1340-F1356 HydrophobicContact CB-CZ 3.51Å; A1352-F1356 HydrophobicContact CB-CD2 4.5Å; A1352-F1356 HydrophobicContact CB-CE2 4.49Å; A1352-F1356 WeakPolarHBondContact O-CD2 3.18Å; A1352-F1356 PolarHBondContact O-N 3.09Å; N1354-F1356 PolarHBondContact O-N 3.41Å; F1356-E1358 VanDerWaalsContact C-N 3.35Å; F1356-L1359 HydrophobicContact CD1-CD2 4.16Å; F1356-L1359 HydrophobicContact CE1-CD2 4.43Å; F1356-S1360 WeakPolarHBondContact O-CB 3.3Å; F1356-S1360 PolarHBondContact O-N 2.8Å; F1356-S1360 PolarHBondContact O-OG 3.24Å; F1356-Y1519 HydrophobicContact CD1-CD2 4.2Å; F1356-Y1519 HydrophobicContact CD1-CE2 4.34Å; F1356-Y1519 AromaticContact CE1-CD1 3.94Å; F1356-Y1519 HydrophobicContact CE1-CD1 3.94Å; F1356-Y1519 AromaticContact CE1-CD2 3.52Å; F1356-Y1519 HydrophobicContact CE1-CD2 3.52Å; F1356-Y1519 HydrophobicContact CE1-CE1 4.37Å; F1356-Y1519 AromaticContact CE1-CE2 3.98Å; F1356-Y1519 HydrophobicContact CE1-CE2 3.98Å; F1356-Y1519 AromaticContact CE1-CG 3.49Å; F1356-Y1519 HydrophobicContact CE1-CG 3.49Å; F1356-Y1519 VanDerWaalsContact CE1-CG 3.49Å; F1356-Y1519 HydrophobicContact CZ-CD2 4.24Å; F1356-Y1519 AromaticContact CZ-CG 3.94Å; F1356-Y1519 HydrophobicContact CZ-CG 3.94Å; F1356-I1567 HydrophobicContact CE1-CD1 4.07Å; F1356-I1567 HydrophobicContact CZ-CD1 4.11Å
1357R92.2Very high90.7Very high113 Ų11351.3 Ų51.343%0.42623%0.227SC..Hα-helixtrans-63.6-43.8171.3-170.1-174.5-63121.9-3.8110.8R1353 N1354 F1355 S1360 R1361R1353-R1357 WeakPolarHBondContact O-CB 3.39Å; R1353-R1357 PolarHBondContact O-N 2.78Å; R1353-R1357 VanDerWaalsContact O-N 3.16Å; N1354-R1357 PolarHBondContact O-N 3.22Å; N1354-R1357 PolarHBondContact OD1-NH1 2.79Å; F1355-R1357 VanDerWaalsContact C-N 3.34Å; F1355-R1357 PolarHBondContact O-N 3.31Å; R1357-S1360 PolarHBondContact O-N 3.25Å; R1357-R1361 WeakPolarHBondContact O-CG 3.48Å; R1357-R1361 PolarHBondContact O-N 3.38Å
1358E90.5Very high90.9Very high73 Ų7346 Ų4634%0.34121%0.206SC..Hα-helixtrans-72-37.5179.7-162.257.1-151.100112.7N1354 F1355 F1356 S1360 R1361 T1362 F1602N1354-E1358 PolarHBondContact O-N 3.36Å; F1355-E1358 PolarHBondContact O-N 2.99Å; F1356-E1358 VanDerWaalsContact C-N 3.35Å; E1358-S1360 VanDerWaalsContact C-N 3.32Å; E1358-S1360 PolarHBondContact O-N 2.96Å; E1358-R1361 PolarHBondContact O-N 2.92Å; E1358-R1361 WeakPolarHBondContact OE2-CD 3.38Å; E1358-R1361 IonicContact OE2-CZ 3.76Å; E1358-R1361 IonicContact OE2-NH1 3.58Å; E1358-R1361 PolarHBondContact OE2-NH1 2.97Å; E1358-T1362 WeakPolarHBondContact O-CB 3.42Å; E1358-T1362 PolarHBondContact O-N 2.94Å; E1358-T1362 PolarHBondContact O-OG1 2.88Å; E1358-F1602 HydrophobicContact CB-CE1 4.31Å; E1358-F1602 HydrophobicContact CB-CE2 4.08Å; E1358-F1602 HydrophobicContact CB-CZ 3.89Å; E1358-F1602 HydrophobicContact CG-CD2 4.09Å; E1358-F1602 HydrophobicContact CG-CE2 3.75Å; E1358-F1602 HydrophobicContact CG-CZ 4.1Å
1359L92.1Very high91Very high1 Ų146.1 Ų46.11%0.00521%0.21CC..Hα-helixtrans-59.4-44.3170.5179.361000111.3F1355 F1356 T1362 Y1363 Y1519 F1602 L1605 A1606F1355-L1359 HydrophobicContact CE1-CD2 4.44Å; F1355-L1359 PolarHBondContact O-N 3.3Å; F1356-L1359 HydrophobicContact CD1-CD2 4.16Å; F1356-L1359 HydrophobicContact CE1-CD2 4.43Å; L1359-T1362 PolarHBondContact O-N 2.63Å; L1359-Y1363 WeakPolarHBondContact O-CB 3.4Å; L1359-Y1363 PolarHBondContact O-N 3.48Å; L1359-Y1519 HydrophobicContact CD2-CE1 4.21Å; L1359-F1602 HydrophobicContact CB-CD1 3.91Å; L1359-F1602 HydrophobicContact CB-CE1 4.06Å; L1359-F1602 HydrophobicContact CD1-CD1 4.11Å; L1359-L1605 HydrophobicContact CD1-CB 4.21Å; L1359-L1605 HydrophobicContact CD1-CD2 3.98Å; L1359-L1605 HydrophobicContact CD1-CG 4.03Å; L1359-L1605 HydrophobicContact CD2-CD2 3.81Å; L1359-L1605 HydrophobicContact CD2-CG 4.32Å; L1359-A1606 HydrophobicContact CD1-CB 4.22Å
1360S93.8Very high91.1Very high15 Ų1550.2 Ų50.211%0.10523%0.225CC..Hα-helixtrans-62.1-46178.9-54.60000111.3F1356 R1357 E1358 T1362 Y1363 E1364 H1371F1356-S1360 WeakPolarHBondContact O-CB 3.3Å; F1356-S1360 PolarHBondContact O-N 2.8Å; F1356-S1360 PolarHBondContact O-OG 3.24Å; R1357-S1360 PolarHBondContact O-N 3.25Å; E1358-S1360 VanDerWaalsContact C-N 3.32Å; E1358-S1360 PolarHBondContact O-N 2.96Å; S1360-T1362 VanDerWaalsContact C-N 3.34Å; S1360-T1362 PolarHBondContact O-N 3.23Å; S1360-Y1363 PolarHBondContact O-N 2.83Å; S1360-E1364 WeakPolarHBondContact O-CG 3.29Å; S1360-E1364 PolarHBondContact O-N 3.33Å; S1360-H1371 VanDerWaalsContact CB-O 3.24Å; S1360-H1371 WeakPolarHBondContact CB-O 3.35Å; S1360-H1371 PolarHBondContact OG-ND1 2.96Å; S1360-H1371 PolarHBondContact OG-O 3.26Å; S1360-H1371 VanDerWaalsContact OG-O 3.13Å
1361R92.3Very high91.3Very high143 Ų14342.4 Ų42.454%0.5420%0.195SC..Hα-helixtrans-59.3-43.6173.8-71.7172.4-176.8166.1-8.4112.2R1357 E1358 E1364 A1365R1357-R1361 WeakPolarHBondContact O-CG 3.48Å; R1357-R1361 PolarHBondContact O-N 3.38Å; E1358-R1361 PolarHBondContact O-N 2.92Å; E1358-R1361 WeakPolarHBondContact OE2-CD 3.38Å; E1358-R1361 IonicContact OE2-CZ 3.76Å; E1358-R1361 IonicContact OE2-NH1 3.58Å; E1358-R1361 PolarHBondContact OE2-NH1 2.97Å; R1361-E1364 PolarHBondContact O-N 2.98Å; R1361-A1365 WeakPolarHBondContact O-CB 3.47Å; R1361-A1365 PolarHBondContact O-N 3.21Å
1362T90.9Very high91.4Very high13 Ų1342.2 Ų42.28%0.0820%0.196CC..Hα-helixtrans-65.8-42.3179.9-56.30000111.2E1358 L1359 S1360 A1365 M1366 F1602 R1603E1358-T1362 WeakPolarHBondContact O-CB 3.42Å; E1358-T1362 PolarHBondContact O-N 2.94Å; E1358-T1362 PolarHBondContact O-OG1 2.88Å; L1359-T1362 PolarHBondContact O-N 2.63Å; S1360-T1362 VanDerWaalsContact C-N 3.34Å; S1360-T1362 PolarHBondContact O-N 3.23Å; T1362-A1365 PolarHBondContact O-N 3.22Å; T1362-M1366 HydrophobicContact CG2-CG 4.47Å; T1362-M1366 HydrophobicContact CG2-SD 4.38Å; T1362-M1366 WeakPolarHBondContact O-CB 3.31Å; T1362-M1366 VanDerWaalsContact O-CG 3.29Å; T1362-M1366 WeakPolarHBondContact O-CG 3.26Å; T1362-M1366 PolarHBondContact O-N 2.83Å; T1362-F1602 HydrophobicContact CG2-CB 3.91Å; T1362-R1603 HydrophobicContact CG2-CG 3.97Å
1363Y92.9Very high91.4Very high1 Ų143.9 Ų43.90%0.00421%0.207CC..Hα-helixtrans-61.5-45.1178.3-165.7-86.4000111.9K1334 V1336 L1359 S1360 L1368 G1369 H1371 A1606 V1609 F1610K1334-Y1363 WeakPolarHBondContact O-CE1 3.34Å; K1334-Y1363 PolarHBondContact O-OH 3.04Å; V1336-Y1363 HydrophobicContact CG2-CE1 4.3Å; L1359-Y1363 WeakPolarHBondContact O-CB 3.4Å; L1359-Y1363 PolarHBondContact O-N 3.48Å; S1360-Y1363 PolarHBondContact O-N 2.83Å; Y1363-L1368 HydrophobicContact CD1-CB 3.84Å; Y1363-L1368 HydrophobicContact CD2-CB 4.25Å; Y1363-L1368 HydrophobicContact CD2-CD1 3.92Å; Y1363-L1368 HydrophobicContact CE1-CB 3.51Å; Y1363-L1368 HydrophobicContact CE2-CB 3.94Å; Y1363-L1368 HydrophobicContact CE2-CD1 3.8Å; Y1363-L1368 HydrophobicContact CG-CB 4.19Å; Y1363-L1368 HydrophobicContact CG-CD1 4.46Å; Y1363-L1368 PolarHBondContact O-N 3.37Å; Y1363-G1369 WeakPolarHBondContact CD1-O 3.36Å; Y1363-H1371 HydrophobicContact CD1-CB 3.74Å; Y1363-H1371 HydrophobicContact CE1-CB 4.47Å; Y1363-H1371 HydrophobicContact CG-CB 3.87Å; Y1363-A1606 HydrophobicContact CD2-CB 3.82Å; Y1363-V1609 HydrophobicContact CE2-CG1 4.33Å; Y1363-F1610 HydrophobicContact CE2-CB 4.23Å
1364E92.1Very high91Very high92 Ų9240.3 Ų40.343%0.4319%0.194SC..Hα-helixtrans-70.3-39.9177.1-71.6177-173.800112.3S1360 R1361 M1366 R1367 G1369 H1371S1360-E1364 WeakPolarHBondContact O-CG 3.29Å; S1360-E1364 PolarHBondContact O-N 3.33Å; R1361-E1364 PolarHBondContact O-N 2.98Å; E1364-M1366 VanDerWaalsContact C-N 3.29Å; E1364-M1366 PolarHBondContact O-N 2.61Å; E1364-R1367 WeakPolarHBondContact O-CA 3.4Å; E1364-R1367 PolarHBondContact O-N 2.86Å; E1364-G1369 WeakPolarHBondContact CG-O 3.42Å; E1364-H1371 PolarHBondContact OE1-N 2.83Å
1365A89.6Confident90.5Very high63 Ų6339 Ų3952%0.52119%0.189SC..Hα-helixtrans-64.2-32.8176.400000112.6R1361 T1362 R1367R1361-A1365 WeakPolarHBondContact O-CB 3.47Å; R1361-A1365 PolarHBondContact O-N 3.21Å; T1362-A1365 PolarHBondContact O-N 3.22Å; A1365-R1367 PolarHBondContact O-N 3.15Å
1366M89.7Confident89.4Confident2 Ų242 Ų421%0.0120%0.199CC..THydrogen-bonded Turntrans-78.55.4171.5-66.4-167.1-28.900113.4W1322 T1362 E1364 L1368 R1603 A1606 L1607W1322-M1366 PolarHBondContact NE1-O 2.96Å; T1362-M1366 HydrophobicContact CG2-CG 4.47Å; T1362-M1366 HydrophobicContact CG2-SD 4.38Å; T1362-M1366 WeakPolarHBondContact O-CB 3.31Å; T1362-M1366 VanDerWaalsContact O-CG 3.29Å; T1362-M1366 WeakPolarHBondContact O-CG 3.26Å; T1362-M1366 PolarHBondContact O-N 2.83Å; E1364-M1366 VanDerWaalsContact C-N 3.29Å; E1364-M1366 PolarHBondContact O-N 2.61Å; M1366-L1368 HydrophobicContact CB-CD1 4.36Å; M1366-L1368 HydrophobicContact CB-CG 3.96Å; M1366-L1368 HydrophobicContact CE-CD1 3.22Å; M1366-L1368 HydrophobicContact CE-CG 3.93Å; M1366-L1368 PolarHBondContact O-N 3.37Å; M1366-R1603 HydrophobicContact SD-CB 3.8Å; M1366-R1603 HydrophobicContact SD-CG 3.58Å; M1366-R1603 VanDerWaalsContact SD-CG 3.58Å; M1366-A1606 HydrophobicContact CE-CB 3.48Å; M1366-A1606 VanDerWaalsContact CE-CB 3.48Å; M1366-L1607 HydrophobicContact CE-CD2 4.15Å; M1366-L1607 HydrophobicContact CE-CG 3.94Å
1367R91.2Very high88.2Confident82 Ų8244 Ų4431%0.30921%0.213SC..THydrogen-bonded Turntrans55.831.5179-56.7-177.1176.6-169.87.7113.3D1308 E1328 E1364 A1365 G1369D1308-R1367 IonicContact OD1-CZ 2.75Å; D1308-R1367 IonicContact OD1-NH1 2.7Å; D1308-R1367 PolarHBondContact OD1-NH1 3.02Å; D1308-R1367 IonicContact OD1-NH2 3.97Å; D1308-R1367 PolarHBondContact OD1-NH2 3.07Å; E1328-R1367 HydrophobicContact CG-CB 3.84Å; E1328-R1367 HydrophobicContact CG-CG 4.25Å; E1328-R1367 VanDerWaalsContact OE1-CD 3.22Å; E1328-R1367 WeakPolarHBondContact OE1-CD 3.45Å; E1328-R1367 IonicContact OE1-CZ 3.45Å; E1328-R1367 IonicContact OE1-NE 3.41Å; E1328-R1367 IonicContact OE1-NH1 3.2Å; E1328-R1367 PolarHBondContact OE1-NH1 3.04Å; E1364-R1367 WeakPolarHBondContact O-CA 3.4Å; E1364-R1367 PolarHBondContact O-N 2.86Å; A1365-R1367 PolarHBondContact O-N 3.15Å; R1367-G1369 VanDerWaalsContact C-N 3.29Å; R1367-G1369 PolarHBondContact O-N 3.22Å
1368L90.6Very high87.4Confident0 Ų040.1 Ų40.10%020%0.2CC..SBendtrans-80.9-7.9-179.8-64-176.7000113.7P1329 P1333 K1334 Y1363 M1366 A1606 L1607 F1610P1329-L1368 HydrophobicContact CB-CD2 3.97Å; P1329-L1368 HydrophobicContact CG-CD2 3.83Å; P1333-L1368 CarbonylContact C-O 3.06Å; P1333-L1368 WeakPolarHBondContact CA-O 3.42Å; K1334-L1368 PolarHBondContact N-O 3.08Å; Y1363-L1368 HydrophobicContact CD1-CB 3.84Å; Y1363-L1368 HydrophobicContact CD2-CB 4.25Å; Y1363-L1368 HydrophobicContact CD2-CD1 3.92Å; Y1363-L1368 HydrophobicContact CE1-CB 3.51Å; Y1363-L1368 HydrophobicContact CE2-CB 3.94Å; Y1363-L1368 HydrophobicContact CE2-CD1 3.8Å; Y1363-L1368 HydrophobicContact CG-CB 4.19Å; Y1363-L1368 HydrophobicContact CG-CD1 4.46Å; Y1363-L1368 PolarHBondContact O-N 3.37Å; M1366-L1368 HydrophobicContact CB-CD1 4.36Å; M1366-L1368 HydrophobicContact CB-CG 3.96Å; M1366-L1368 HydrophobicContact CE-CD1 3.22Å; M1366-L1368 HydrophobicContact CE-CG 3.93Å; M1366-L1368 PolarHBondContact O-N 3.37Å; L1368-A1606 HydrophobicContact CD1-CB 4.3Å; L1368-L1607 HydrophobicContact CD1-CD2 4.39Å; L1368-F1610 HydrophobicContact CB-CD2 4.1Å; L1368-F1610 HydrophobicContact CD1-CB 3.88Å; L1368-F1610 HydrophobicContact CD1-CG 4.26Å; L1368-F1610 HydrophobicContact CD2-CD1 4.31Å; L1368-F1610 HydrophobicContact CD2-CD2 4.04Å; L1368-F1610 HydrophobicContact CD2-CE2 4.32Å; L1368-F1610 HydrophobicContact CD2-CG 4.04Å; L1368-F1610 HydrophobicContact CG-CD2 4.46Å
1369G90.2Very high86.5Confident16 Ų1646.3 Ų46.317%0.16523%0.226CC..  trans124-172.8-173.400000110.8Y1363 E1364 R1367Y1363-G1369 WeakPolarHBondContact CD1-O 3.36Å; E1364-G1369 WeakPolarHBondContact CG-O 3.42Å; R1367-G1369 VanDerWaalsContact C-N 3.29Å; R1367-G1369 PolarHBondContact O-N 3.22Å
1370R92.4Very high85.9Confident92 Ų9247.5 Ų47.535%0.34723%0.232SC..  trans-83.9145.6175.8-65.5-180-69.4-179.82.5111.3D1335 V1336 F1451D1335-R1370 WeakPolarHBondContact OD1-CB 3.4Å; D1335-R1370 PolarHBondContact OD1-N 2.91Å; D1335-R1370 IonicContact OD1-NE 3.62Å; D1335-R1370 PolarHBondContact OD1-NE 2.91Å; D1335-R1370 IonicContact OD2-CZ 3.24Å; D1335-R1370 IonicContact OD2-NE 2.74Å; D1335-R1370 PolarHBondContact OD2-NE 3Å; D1335-R1370 IonicContact OD2-NH2 2.72Å; D1335-R1370 PolarHBondContact OD2-NH2 3.18Å; V1336-R1370 PolarHBondContact N-O 2.88Å; R1370-F1451 HydrophobicContact CB-CD1 4.36Å; R1370-F1451 HydrophobicContact CB-CE1 3.98Å
1371H93.2Very high85.6Confident2 Ų246.8 Ų46.81%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-13297.8175.4-179-85.1000110.6V1336 F1338 S1360 Y1363 E1364 Y1519V1336-H1371 VanDerWaalsContact CG1-CD2 3.44Å; V1336-H1371 WeakPolarHBondContact CG1-CD2 3.44Å; V1336-H1371 WeakPolarHBondContact O-CA 3.35Å; F1338-H1371 AromaticContact CD1-CE1 3.14Å; F1338-H1371 WeakPolarHBondContact CD1-CE1 3.36Å; F1338-H1371 AromaticContact CD1-ND1 3.59Å; F1338-H1371 AromaticContact CD1-NE2 3.66Å; F1338-H1371 AromaticContact CE1-CE1 3.35Å; F1338-H1371 WeakPolarHBondContact CE1-CE1 3.41Å; F1338-H1371 AromaticContact CE1-ND1 3.56Å; F1338-H1371 AromaticContact CG-CE1 3.89Å; S1360-H1371 VanDerWaalsContact CB-O 3.24Å; S1360-H1371 WeakPolarHBondContact CB-O 3.35Å; S1360-H1371 PolarHBondContact OG-ND1 2.96Å; S1360-H1371 PolarHBondContact OG-O 3.26Å; S1360-H1371 VanDerWaalsContact OG-O 3.13Å; Y1363-H1371 HydrophobicContact CD1-CB 3.74Å; Y1363-H1371 HydrophobicContact CE1-CB 4.47Å; Y1363-H1371 HydrophobicContact CG-CB 3.87Å; E1364-H1371 PolarHBondContact OE1-N 2.83Å; H1371-Y1519 AromaticContact NE2-CE2 3.59Å; H1371-Y1519 AromaticContact NE2-CZ 3.65Å; H1371-Y1519 PolarHBondContact NE2-OH 2.75Å
1372C91.2Very high85.6Confident12 Ų1240.3 Ų40.38%0.08120%0.203CC..EExtended strand (participates in β ladder)trans-122.7143.7-167.8-46.80000113.3V1336 V1337 F1338 F1451V1336-C1372 PolarHBondContact O-N 2.91Å; V1337-C1372 CarbonylContact C-O 3.49Å; V1337-C1372 VanDerWaalsContact CA-O 3.28Å; V1337-C1372 WeakPolarHBondContact CA-O 3.44Å; F1338-C1372 VanDerWaalsContact CD1-C 3.43Å; F1338-C1372 VanDerWaalsContact CD1-O 3.25Å; F1338-C1372 WeakPolarHBondContact CD1-O 3.33Å; F1338-C1372 VanDerWaalsContact CE1-C 3.45Å; F1338-C1372 PolarHBondContact N-O 3.19Å; C1372-F1451 HydrophobicContact CB-CD1 4.39Å; C1372-F1451 HydrophobicContact CB-CE1 4.22Å
1373P90.1Very high85.6Confident35 Ų3540 Ų4023%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-73.2151.4171.128.2-31.6000112.1F1338 T1375F1338-P1373 HydrophobicContact CE1-CB 3.91Å; F1338-P1373 HydrophobicContact CE1-CG 4.35Å; F1338-P1373 VanDerWaalsContact CE1-N 3.29Å; F1338-P1373 HydrophobicContact CE2-CB 4.1Å; F1338-P1373 HydrophobicContact CZ-CB 3.64Å; F1338-P1373 HydrophobicContact CZ-CG 4.25Å; P1373-T1375 HydrophobicContact CG-CG2 4.05Å; P1373-T1375 PolarHBondContact O-N 3.37Å; P1373-T1375 VanDerWaalsContact O-N 3.14Å
1374I84.1Confident85.5Confident13 Ų1344.7 Ų44.77%0.06722%0.218CC..  trans-77.195.4168.5-58.4-174.5000109.9V1337 F1338 I1339 A1445V1337-I1374 HydrophobicContact CG1-CB 4.46Å; V1337-I1374 HydrophobicContact CG1-CD1 3.63Å; V1337-I1374 HydrophobicContact CG1-CG1 3.13Å; F1338-I1374 PolarHBondContact O-N 2.79Å; F1338-I1374 VanDerWaalsContact O-N 3.11Å; I1339-I1374 HydrophobicContact CD1-CD1 3.91Å; I1339-I1374 HydrophobicContact CG1-CB 4.16Å; I1339-I1374 HydrophobicContact CG1-CD1 3.85Å; I1339-I1374 HydrophobicContact CG1-CG1 4.11Å; I1374-A1445 HydrophobicContact CD1-CB 3.73Å
1375T77.8Confident85.4Confident38 Ų3840.7 Ų40.723%0.23320%0.2CC..THydrogen-bonded Turntrans-82.3-24.9-173.753.70000114.9P1373 V1377 L1378P1373-T1375 HydrophobicContact CG-CG2 4.05Å; P1373-T1375 PolarHBondContact O-N 3.37Å; P1373-T1375 VanDerWaalsContact O-N 3.14Å; T1375-V1377 VanDerWaalsContact C-N 3.29Å; T1375-V1377 PolarHBondContact O-N 3.05Å; T1375-L1378 CarbonylContact C-O 3.52Å; T1375-L1378 VanDerWaalsContact CA-O 3.23Å; T1375-L1378 WeakPolarHBondContact CA-O 3.13Å; T1375-L1378 CarbonylContact O-C 3.43Å
1376R67.5Low85.2Confident69 Ų6938.4 Ų38.426%0.2618%0.183SC..THydrogen-bonded Turntrans-61.8-32.7-174.7-73.6176164.9170.94.5114.2W1443 S1449 E1453R1376-W1443 VanDerWaalsContact CD-CE3 3.5Å; R1376-W1443 HydrophobicContact CG-CZ3 4.32Å; R1376-W1443 VanDerWaalsContact CZ-CZ3 3.48Å; R1376-S1449 PolarHBondContact NH1-OG 3.14Å; R1376-S1449 PolarHBondContact NH2-O 3.34Å; R1376-E1453 WeakPolarHBondContact CD-OE2 3.49Å; R1376-E1453 WeakPolarHBondContact CG-OE2 3.45Å; R1376-E1453 IonicContact CZ-OE1 3.69Å; R1376-E1453 VanDerWaalsContact CZ-OE1 3.24Å; R1376-E1453 IonicContact CZ-OE2 3.4Å; R1376-E1453 IonicContact NE-OE1 3.74Å; R1376-E1453 PolarHBondContact NE-OE1 3.03Å; R1376-E1453 IonicContact NE-OE2 2.88Å; R1376-E1453 PolarHBondContact NE-OE2 2.72Å; R1376-E1453 IonicContact NH2-OE1 3.95Å; R1376-E1453 PolarHBondContact NH2-OE1 2.82Å; R1376-E1453 IonicContact NH2-OE2 3.74Å
1377V67.5Low84.6Confident50 Ų5044.1 Ų44.130%0.30321%0.208SC..THydrogen-bonded Turntrans-105-38.4-177.8-173.80000111.3T1375 H1437T1375-V1377 VanDerWaalsContact C-N 3.29Å; T1375-V1377 PolarHBondContact O-N 3.05Å; V1377-H1437 HydrophobicContact CG1-CB 3.99Å; V1377-H1437 VanDerWaalsContact CG1-ND1 3.3Å; V1377-H1437 WeakPolarHBondContact CG1-ND1 3.42Å
1378L75.1Confident84Confident31 Ų3144 Ų4416%0.16222%0.216CC..SBendtrans-126.2113.2179.8-61.8168.8000106.6I1339 T1375 D1380 G1381 M1383I1339-L1378 HydrophobicContact CG2-CD1 3.97Å; T1375-L1378 CarbonylContact C-O 3.52Å; T1375-L1378 VanDerWaalsContact CA-O 3.23Å; T1375-L1378 WeakPolarHBondContact CA-O 3.13Å; T1375-L1378 CarbonylContact O-C 3.43Å; L1378-D1380 PolarHBondContact O-N 2.7Å; L1378-G1381 PolarHBondContact O-N 2.65Å; L1378-M1383 HydrophobicContact CD1-CB 3.98Å; L1378-M1383 HydrophobicContact CD1-CE 4.05Å; L1378-M1383 HydrophobicContact CD2-CE 4.18Å; L1378-M1383 HydrophobicContact CD2-SD 4.32Å
1379K72.1Confident83.4Confident203 Ų20345.5 Ų45.588%0.88322%0.223SC*.THydrogen-bonded Turntrans-48.9-23.7-173.1-79.6-171.5174.5-174.10115.1
1380D80.3Confident82.9Confident26 Ų2646.4 Ų46.414%0.13923%0.229CC..THydrogen-bonded Turntrans-126.39.3-178.150.813000114.2R1353 L1378 I1382R1353-D1380 IonicContact CZ-OD2 2.73Å; R1353-D1380 IonicContact NH1-OD2 3.1Å; R1353-D1380 PolarHBondContact NH1-OD2 2.93Å; R1353-D1380 IonicContact NH2-OD2 2.84Å; R1353-D1380 PolarHBondContact NH2-OD2 2.92Å; L1378-D1380 PolarHBondContact O-N 2.7Å; D1380-I1382 HydrophobicContact CB-CD1 4.46Å; D1380-I1382 PolarHBondContact O-N 2.91Å; D1380-I1382 WeakPolarHBondContact OD1-CB 3.4Å; D1380-I1382 PolarHBondContact OD1-N 3.23Å; D1380-I1382 VanDerWaalsContact OD1-N 3.15Å
1381G86.4Confident82.1Confident0 Ų050.8 Ų50.80%025%0.251CS..SBendtrans67.211.3-173.800000114.2I1339 A1340 L1378I1339-G1381 WeakPolarHBondContact CA-O 3.45Å; A1340-G1381 PolarHBondContact N-O 2.62Å; L1378-G1381 PolarHBondContact O-N 2.65Å
1382I91.8Very high81.6Confident6 Ų656.1 Ų56.13%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-104.8116.4-176.7-61.4171.3000110.5A1340 V1342 A1352 R1353 D1380 R1384A1340-I1382 HydrophobicContact CB-CG1 4.46Å; A1340-I1382 CarbonylContact O-C 3.34Å; A1340-I1382 WeakPolarHBondContact O-CA 3.32Å; V1342-I1382 HydrophobicContact CB-CG2 3.89Å; V1342-I1382 HydrophobicContact CG2-CG2 3.72Å; A1352-I1382 HydrophobicContact CB-CD1 4.29Å; R1353-I1382 HydrophobicContact CB-CD1 4.17Å; D1380-I1382 HydrophobicContact CB-CD1 4.46Å; D1380-I1382 PolarHBondContact O-N 2.91Å; D1380-I1382 WeakPolarHBondContact OD1-CB 3.4Å; D1380-I1382 PolarHBondContact OD1-N 3.23Å; D1380-I1382 VanDerWaalsContact OD1-N 3.15Å; I1382-R1384 HydrophobicContact CG2-CG 4.36Å
1383M90.8Very high81.1Confident8 Ų855.6 Ų55.64%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-89.5118.3170.1-177.263.180.600109.6I1339 A1340 V1341 V1342 L1378 V1429I1339-M1383 HydrophobicContact CG2-CB 4.25Å; A1340-M1383 PolarHBondContact O-N 2.88Å; V1341-M1383 WeakPolarHBondContact CA-O 3.44Å; V1341-M1383 HydrophobicContact CG2-CB 4.36Å; V1342-M1383 PolarHBondContact N-O 2.77Å; L1378-M1383 HydrophobicContact CD1-CB 3.98Å; L1378-M1383 HydrophobicContact CD1-CE 4.05Å; L1378-M1383 HydrophobicContact CD2-CE 4.18Å; L1378-M1383 HydrophobicContact CD2-SD 4.32Å; M1383-V1429 HydrophobicContact CG-CG1 3.88Å; M1383-V1429 HydrophobicContact SD-CG1 4.33Å
1384R91.4Very high80.2Confident98 Ų9860.1 Ų60.137%0.3729%0.294SS..EExtended strand (participates in β ladder)trans-90.6134.6-176.3-56.7179.7-166.9-179.23.5111.3V1342 D1344 V1349 I1382 H1389V1342-R1384 CarbonylContact O-C 3.53Å; V1342-R1384 WeakPolarHBondContact O-CA 3.49Å; D1344-R1384 HydrophobicContact CB-CB 4.08Å; V1349-R1384 HydrophobicContact CG2-CG 4.13Å; I1382-R1384 HydrophobicContact CG2-CG 4.36Å; R1384-H1389 PolarHBondContact O-CE1 2.94Å; R1384-H1389 PolarHBondContact O-ND1 3.24Å
1385V89.8Confident79.5Confident8 Ų868.4 Ų68.45%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-117.1114.3178.5-174.50000110.7V1341 V1342 D1344 L1425 Y1426 V1429V1341-V1385 HydrophobicContact CG1-CG2 3.38Å; V1342-V1385 PolarHBondContact O-N 3.42Å; D1344-V1385 WeakPolarHBondContact CB-O 3.35Å; D1344-V1385 PolarHBondContact N-O 3.48Å; V1385-L1425 HydrophobicContact CG1-CD2 4.04Å; V1385-L1425 HydrophobicContact CG1-CG 3.9Å; V1385-Y1426 HydrophobicContact CB-CD2 4.3Å; V1385-Y1426 HydrophobicContact CB-CE2 3.96Å; V1385-Y1426 HydrophobicContact CG1-CD2 3.62Å; V1385-Y1426 HydrophobicContact CG1-CE2 3.68Å; V1385-Y1426 HydrophobicContact CG1-CG 4.25Å; V1385-Y1426 HydrophobicContact CG2-CE1 4.41Å; V1385-Y1426 HydrophobicContact CG2-CE2 4.46Å; V1385-V1429 HydrophobicContact CG1-CG2 4.16Å; V1385-V1429 HydrophobicContact CG2-CB 4.28Å; V1385-V1429 HydrophobicContact CG2-CG1 4.07Å; V1385-V1429 HydrophobicContact CG2-CG2 4.35Å
1386G85.2Confident79.6Confident15 Ų1570.7 Ų70.716%0.15534%0.339CS..SBendtrans-176-152.9179.300000114.8T1388 H1389 A1390G1386-T1388 VanDerWaalsContact C-N 3.25Å; G1386-T1388 PolarHBondContact O-N 3.38Å; G1386-H1389 PolarHBondContact O-N 3.05Å; G1386-A1390 PolarHBondContact O-N 3.16Å
1387K77.1Confident80.4Confident123 Ų12372.1 Ų72.154%0.53536%0.358SS..Hα-helixtrans-58.1-34-167.8-63-178.2-175.31760113.5Y575 A1390 K1391Y575-K1387 VanDerWaalsContact OH-CE 3.22Å; Y575-K1387 WeakPolarHBondContact OH-CE 3.44Å; K1387-A1390 PolarHBondContact O-N 2.87Å; K1387-K1391 PolarHBondContact O-N 2.89Å
1388T79.2Confident81.2Confident80 Ų8070.6 Ų70.649%0.49135%0.348SS..Hα-helixtrans-63.7-48-180-45.80000111.3G1386G1386-T1388 VanDerWaalsContact C-N 3.25Å; G1386-T1388 PolarHBondContact O-N 3.38Å
1389H79.1Confident81.5Confident30 Ų3071 Ų7114%0.13935%0.351CS..Hα-helixtrans-72.6-34.8176.9-66.5138.1000112.1R1384 G1386 K1391 Q1392 L1393 L1425 V1429 Y1433R1384-H1389 PolarHBondContact O-CE1 2.94Å; R1384-H1389 PolarHBondContact O-ND1 3.24Å; G1386-H1389 PolarHBondContact O-N 3.05Å; H1389-K1391 VanDerWaalsContact C-N 3.25Å; H1389-K1391 PolarHBondContact O-N 2.84Å; H1389-Q1392 PolarHBondContact O-N 3.02Å; H1389-L1393 HydrophobicContact CB-CD1 4.03Å; H1389-L1393 VanDerWaalsContact O-CB 3.27Å; H1389-L1393 WeakPolarHBondContact O-CB 3.01Å; H1389-L1393 WeakPolarHBondContact O-CG 3.5Å; H1389-L1393 PolarHBondContact O-N 3.09Å; H1389-L1425 HydrophobicContact CB-CD1 4.39Å; H1389-V1429 HydrophobicContact CB-CG2 3.83Å; H1389-Y1433 AromaticContact CD2-CZ 4Å
1390A77.8Confident81.8Confident36 Ų3664.8 Ų64.830%0.29833%0.333SS..Hα-helixtrans-55.3-41.3176.800000112.3G1386 K1387 N1394 L1425G1386-A1390 PolarHBondContact O-N 3.16Å; K1387-A1390 PolarHBondContact O-N 2.87Å; A1390-N1394 WeakPolarHBondContact O-CB 3.46Å; A1390-N1394 PolarHBondContact O-N 3.07Å; A1390-L1425 HydrophobicContact CB-CD1 4.12Å; A1390-L1425 HydrophobicContact CB-CD2 3.88Å
1391K76Confident81.9Confident183 Ų18363.8 Ų63.880%0.79633%0.327SS*.Hα-helixtrans-67.6-36.3177.3-69.3-177.8-180-174.50113.2K1387 H1389K1387-K1391 PolarHBondContact O-N 2.89Å; H1389-K1391 VanDerWaalsContact C-N 3.25Å; H1389-K1391 PolarHBondContact O-N 2.84Å
1392Q82.5Confident81.5Confident115 Ų11563.9 Ų63.954%0.53733%0.328SS..Hα-helixtrans-83.9-23.7-175.8-64.9176.97.200112.9H1389 Y1433H1389-Q1392 PolarHBondContact O-N 3.02Å; Q1392-Y1433 PolarHBondContact OE1-OH 3.26Å
1393L81.9Confident80.7Confident0 Ų066.7 Ų66.70%034%0.343CS..Hα-helixtrans-107.9-2.8-172.6-69.5173.1000114.5H1389 Q1395 K1396 L1425 Q1428 V1429 H1432 Y1433H1389-L1393 HydrophobicContact CB-CD1 4.03Å; H1389-L1393 VanDerWaalsContact O-CB 3.27Å; H1389-L1393 WeakPolarHBondContact O-CB 3.01Å; H1389-L1393 WeakPolarHBondContact O-CG 3.5Å; H1389-L1393 PolarHBondContact O-N 3.09Å; L1393-Q1395 PolarHBondContact O-N 3.08Å; L1393-K1396 HydrophobicContact CD2-CB 4.21Å; L1393-K1396 HydrophobicContact CD2-CD 3.6Å; L1393-K1396 HydrophobicContact CD2-CG 4.03Å; L1393-K1396 PolarHBondContact O-N 2.81Å; L1393-L1425 HydrophobicContact CD1-CD1 4.35Å; L1393-Q1428 HydrophobicContact CB-CB 4.15Å; L1393-Q1428 HydrophobicContact CD1-CB 3.93Å; L1393-Q1428 HydrophobicContact CG-CB 4.47Å; L1393-Q1428 PolarHBondContact O-NE2 3.18Å; L1393-V1429 HydrophobicContact CD1-CB 4.45Å; L1393-V1429 HydrophobicContact CD1-CG2 3.61Å; L1393-H1432 HydrophobicContact CD2-CB 3.83Å; L1393-Y1433 HydrophobicContact CD1-CD2 3.82Å; L1393-Y1433 HydrophobicContact CD1-CE2 3.61Å; L1393-Y1433 HydrophobicContact CD2-CD2 4.09Å; L1393-Y1433 HydrophobicContact CD2-CE2 3.54Å; L1393-Y1433 HydrophobicContact CG-CD2 4.31Å; L1393-Y1433 HydrophobicContact CG-CE2 3.67Å
1394N70.1Confident79.7Confident130 Ų13070.2 Ų70.270%0.69536%0.359SS*.THydrogen-bonded Turntrans-54.4-17.4-171.5-155.219.2000115A1390A1390-N1394 WeakPolarHBondContact O-CB 3.46Å; A1390-N1394 PolarHBondContact O-N 3.07Å
1395Q71Confident78.3Confident188 Ų18866 Ų6688%0.87934%0.344SS*.THydrogen-bonded Turntrans-119.51.7-179.9-62.9-179.55.100114.2L1393L1393-Q1395 PolarHBondContact O-N 3.08Å
1396K79.6Confident76.7Confident85 Ų8571.4 Ų71.437%0.3737%0.368SS..  trans-83.9127.8-178.5-66.8-155.8-173.5175.40110.5L1393 Q1428 H1432L1393-K1396 HydrophobicContact CD2-CB 4.21Å; L1393-K1396 HydrophobicContact CD2-CD 3.6Å; L1393-K1396 HydrophobicContact CD2-CG 4.03Å; L1393-K1396 PolarHBondContact O-N 2.81Å; K1396-Q1428 PolarHBondContact O-NE2 2.81Å; K1396-H1432 WeakPolarHBondContact CB-NE2 3.22Å; K1396-H1432 HydrophobicContact CD-CB 4Å
1397P83.2Confident75.1Confident99 Ų9975.3 Ų75.364%0.64339%0.393SS*.  trans-71.1149.4-17529.5-34.9000111.5H1432P1397-H1432 PolarHBondContact O-NE2 3.48Å
1398V85.4Confident74Confident18 Ų1871.4 Ų71.411%0.10938%0.382CS..  trans-136-176.9169.2-73.20000107.7S1400 F1402 K1424 A1427 Q1428 R1431V1398-S1400 PolarHBondContact O-N 3.43Å; V1398-F1402 HydrophobicContact CB-CD2 4.31Å; V1398-F1402 HydrophobicContact CG2-CB 4.11Å; V1398-F1402 HydrophobicContact CG2-CD2 3.92Å; V1398-F1402 HydrophobicContact CG2-CG 4.31Å; V1398-K1424 HydrophobicContact CG2-CG 4.18Å; V1398-A1427 HydrophobicContact CB-CB 4.41Å; V1398-A1427 HydrophobicContact CG1-CB 4.19Å; V1398-Q1428 HydrophobicContact CG1-CB 4.21Å; V1398-Q1428 HydrophobicContact CG1-CG 3.58Å; V1398-Q1428 HydrophobicContact CG2-CG 4.22Å; V1398-R1431 HydrophobicContact CG1-CB 4.47Å
1399D80.8Confident72.8Confident39 Ų3971 Ų7121%0.20939%0.387CS..  trans-44.3128.7171-171.4-21.4000111.6W1401 F1402 R1545D1399-W1401 PolarHBondContact O-N 2.81Å; D1399-W1401 VanDerWaalsContact O-N 3.08Å; D1399-W1401 WeakPolarHBondContact OD1-CB 3.03Å; D1399-W1401 PolarHBondContact OD1-N 3.41Å; D1399-F1402 HydrophobicContact CB-CD2 3.94Å; D1399-F1402 HydrophobicContact CB-CE2 4.05Å; D1399-F1402 WeakPolarHBondContact O-CD2 3.44Å; D1399-F1402 PolarHBondContact O-N 2.95Å; D1399-R1545 IonicContact OD1-NH1 3.23Å; D1399-R1545 WeakPolarHBondContact OD2-CD 3.48Å; D1399-R1545 IonicContact OD2-CZ 2.68Å; D1399-R1545 IonicContact OD2-NE 3.58Å; D1399-R1545 IonicContact OD2-NH1 2.59Å; D1399-R1545 PolarHBondContact OD2-NH1 2.97Å
1400S78.9Confident71.5Confident73 Ų7374.3 Ų74.351%0.5141%0.405SS..THydrogen-bonded Turntrans-61.6-17.9-179.158.10000112.8V1398 F1402 D1403 Q1404V1398-S1400 PolarHBondContact O-N 3.43Å; S1400-F1402 PolarHBondContact O-N 2.76Å; S1400-D1403 WeakPolarHBondContact O-CB 3.3Å; S1400-D1403 PolarHBondContact O-N 3.03Å; S1400-Q1404 WeakPolarHBondContact O-CG 3.4Å; S1400-Q1404 PolarHBondContact O-N 2.8Å; S1400-Q1404 VanDerWaalsContact O-N 3.16Å
1401W81.2Confident70.1Confident5 Ų573.9 Ų73.92%0.01940%0.398CS..Hα-helixtrans-50.2-42167.9-174.883.5000112F1137 D1140 D1399 D1403 Q1404 F1405 L1423F1137-W1401 AromaticContact CD2-CZ2 3.62Å; F1137-W1401 HydrophobicContact CD2-CZ2 3.62Å; F1137-W1401 HydrophobicContact CE2-CH2 4.21Å; F1137-W1401 AromaticContact CE2-CZ2 3.43Å; F1137-W1401 HydrophobicContact CE2-CZ2 3.43Å; F1137-W1401 VanDerWaalsContact CE2-CZ2 3.43Å; D1140-W1401 PolarHBondContact OD2-NE1 2.89Å; D1399-W1401 PolarHBondContact O-N 2.81Å; D1399-W1401 VanDerWaalsContact O-N 3.08Å; D1399-W1401 WeakPolarHBondContact OD1-CB 3.03Å; D1399-W1401 PolarHBondContact OD1-N 3.41Å; W1401-D1403 PolarHBondContact O-N 2.91Å; W1401-Q1404 PolarHBondContact O-N 3.41Å; W1401-F1405 AromaticContact CD2-CE2 3.57Å; W1401-F1405 HydrophobicContact CD2-CE2 3.57Å; W1401-F1405 HydrophobicContact CD2-CZ 4.08Å; W1401-F1405 AromaticContact CE2-CE2 3.56Å; W1401-F1405 AromaticContact CE2-CZ 3.54Å; W1401-F1405 HydrophobicContact CE3-CD2 4.48Å; W1401-F1405 AromaticContact CE3-CE2 3.51Å; W1401-F1405 HydrophobicContact CE3-CE2 3.51Å; W1401-F1405 HydrophobicContact CE3-CZ 4.22Å; W1401-F1405 HydrophobicContact CG-CE2 4.36Å; W1401-F1405 HydrophobicContact CH2-CE1 4.45Å; W1401-F1405 AromaticContact CH2-CE2 3.44Å; W1401-F1405 HydrophobicContact CH2-CE2 3.44Å; W1401-F1405 VanDerWaalsContact CH2-CE2 3.44Å; W1401-F1405 AromaticContact CH2-CZ 3.34Å; W1401-F1405 HydrophobicContact CH2-CZ 3.34Å; W1401-F1405 HydrophobicContact CZ2-CE1 4.35Å; W1401-F1405 AromaticContact CZ2-CE2 3.51Å; W1401-F1405 HydrophobicContact CZ2-CE2 3.51Å; W1401-F1405 AromaticContact CZ2-CZ 3.16Å; W1401-F1405 HydrophobicContact CZ2-CZ 3.16Å; W1401-F1405 HydrophobicContact CZ3-CD2 4.43Å; W1401-F1405 AromaticContact CZ3-CE2 3.44Å; W1401-F1405 HydrophobicContact CZ3-CE2 3.44Å; W1401-F1405 VanDerWaalsContact CZ3-CE2 3.44Å; W1401-F1405 AromaticContact CZ3-CZ 3.88Å; W1401-F1405 HydrophobicContact CZ3-CZ 3.88Å; W1401-F1405 WeakPolarHBondContact O-CD2 3.31Å; W1401-F1405 WeakPolarHBondContact O-CE2 3.5Å; W1401-L1423 HydrophobicContact CZ3-CD2 4.42Å
1402F79.6Confident69Low3 Ų365.9 Ų65.91%0.01337%0.365CS..Hα-helixtrans-68.3-22.4178.7-65.2-75.8000113.3V1398 D1399 S1400 L1423 K1424 A1427 R1545V1398-F1402 HydrophobicContact CB-CD2 4.31Å; V1398-F1402 HydrophobicContact CG2-CB 4.11Å; V1398-F1402 HydrophobicContact CG2-CD2 3.92Å; V1398-F1402 HydrophobicContact CG2-CG 4.31Å; D1399-F1402 HydrophobicContact CB-CD2 3.94Å; D1399-F1402 HydrophobicContact CB-CE2 4.05Å; D1399-F1402 WeakPolarHBondContact O-CD2 3.44Å; D1399-F1402 PolarHBondContact O-N 2.95Å; S1400-F1402 PolarHBondContact O-N 2.76Å; F1402-L1423 HydrophobicContact CE1-CG 4.15Å; F1402-K1424 HydrophobicContact CB-CB 4.06Å; F1402-K1424 HydrophobicContact CB-CD 4.21Å; F1402-K1424 HydrophobicContact CB-CG 3.95Å; F1402-K1424 HydrophobicContact CD1-CB 4.43Å; F1402-K1424 HydrophobicContact CG-CB 4.5Å; F1402-A1427 HydrophobicContact CD1-CB 4.37Å; F1402-A1427 HydrophobicContact CD2-CB 3.89Å; F1402-A1427 HydrophobicContact CE1-CB 3.97Å; F1402-A1427 HydrophobicContact CE2-CB 3.46Å; F1402-A1427 VanDerWaalsContact CE2-CB 3.46Å; F1402-A1427 HydrophobicContact CG-CB 4.34Å; F1402-A1427 HydrophobicContact CZ-CB 3.5Å; F1402-R1545 HydrophobicContact CE2-CB 4Å; F1402-R1545 HydrophobicContact CZ-CB 3.69Å
1403D75.2Confident67.7Low65 Ų6570.2 Ų70.235%0.34838%0.376SS..Hα-helixtrans-84.2-26.7177.7-60.2-36.9000112.3S1400 W1401 F1405 E1406 K1424S1400-D1403 WeakPolarHBondContact O-CB 3.3Å; S1400-D1403 PolarHBondContact O-N 3.03Å; W1401-D1403 PolarHBondContact O-N 2.91Å; D1403-F1405 PolarHBondContact O-N 3.24Å; D1403-F1405 VanDerWaalsContact O-N 3.13Å; D1403-E1406 PolarHBondContact O-N 2.83Å; D1403-K1424 WeakPolarHBondContact OD1-CE 3.45Å; D1403-K1424 IonicContact OD1-NZ 2.76Å; D1403-K1424 PolarHBondContact OD1-NZ 3.04Å
1404Q68.2Low66.3Low82 Ų8274.3 Ų74.338%0.38340%0.401SS..Hα-helixtrans-62.2-21.3178.6-68.5172.68.900113.1S1400 W1401 E1406 S1407 S1408S1400-Q1404 WeakPolarHBondContact O-CG 3.4Å; S1400-Q1404 PolarHBondContact O-N 2.8Å; S1400-Q1404 VanDerWaalsContact O-N 3.16Å; W1401-Q1404 PolarHBondContact O-N 3.41Å; Q1404-E1406 VanDerWaalsContact C-N 3.33Å; Q1404-S1407 PolarHBondContact O-N 3.37Å; Q1404-S1407 PolarHBondContact O-OG 3.4Å; Q1404-S1408 PolarHBondContact O-N 2.95Å; Q1404-S1408 VanDerWaalsContact O-N 3.16Å
1405F63.5Low65.6Low9 Ų968.8 Ų68.84%0.03937%0.372CS..Hα-helixtrans-74.2-21.3175.9-66.2-77.8000114.6W1401 D1403 L1411 S1412 I1415 C1420 L1538W1401-F1405 AromaticContact CD2-CE2 3.57Å; W1401-F1405 HydrophobicContact CD2-CE2 3.57Å; W1401-F1405 HydrophobicContact CD2-CZ 4.08Å; W1401-F1405 AromaticContact CE2-CE2 3.56Å; W1401-F1405 AromaticContact CE2-CZ 3.54Å; W1401-F1405 HydrophobicContact CE3-CD2 4.48Å; W1401-F1405 AromaticContact CE3-CE2 3.51Å; W1401-F1405 HydrophobicContact CE3-CE2 3.51Å; W1401-F1405 HydrophobicContact CE3-CZ 4.22Å; W1401-F1405 HydrophobicContact CG-CE2 4.36Å; W1401-F1405 HydrophobicContact CH2-CE1 4.45Å; W1401-F1405 AromaticContact CH2-CE2 3.44Å; W1401-F1405 HydrophobicContact CH2-CE2 3.44Å; W1401-F1405 VanDerWaalsContact CH2-CE2 3.44Å; W1401-F1405 AromaticContact CH2-CZ 3.34Å; W1401-F1405 HydrophobicContact CH2-CZ 3.34Å; W1401-F1405 HydrophobicContact CZ2-CE1 4.35Å; W1401-F1405 AromaticContact CZ2-CE2 3.51Å; W1401-F1405 HydrophobicContact CZ2-CE2 3.51Å; W1401-F1405 AromaticContact CZ2-CZ 3.16Å; W1401-F1405 HydrophobicContact CZ2-CZ 3.16Å; W1401-F1405 HydrophobicContact CZ3-CD2 4.43Å; W1401-F1405 AromaticContact CZ3-CE2 3.44Å; W1401-F1405 HydrophobicContact CZ3-CE2 3.44Å; W1401-F1405 VanDerWaalsContact CZ3-CE2 3.44Å; W1401-F1405 AromaticContact CZ3-CZ 3.88Å; W1401-F1405 HydrophobicContact CZ3-CZ 3.88Å; W1401-F1405 WeakPolarHBondContact O-CD2 3.31Å; W1401-F1405 WeakPolarHBondContact O-CE2 3.5Å; D1403-F1405 PolarHBondContact O-N 3.24Å; D1403-F1405 VanDerWaalsContact O-N 3.13Å; F1405-L1411 HydrophobicContact CD1-CD2 3.72Å; F1405-L1411 HydrophobicContact CD1-CG 4.16Å; F1405-L1411 HydrophobicContact CE1-CD2 3.36Å; F1405-L1411 HydrophobicContact CE1-CG 4.04Å; F1405-L1411 HydrophobicContact CZ-CD2 4.23Å; F1405-S1412 PolarHBondContact O-OG 2.88Å; F1405-S1412 VanDerWaalsContact O-OG 3.11Å; F1405-I1415 HydrophobicContact CD1-CD1 3.77Å; F1405-I1415 HydrophobicContact CE1-CD1 3.58Å; F1405-C1420 HydrophobicContact CB-CB 3.66Å; F1405-C1420 HydrophobicContact CG-CB 4.21Å; F1405-L1538 HydrophobicContact CE1-CD2 4.33Å
1406E54.7Low64.9Low121 Ų12161.1 Ų61.157%0.56534%0.343SS*.Hα-helixtrans-84.8-25.4176.3-67.7173.6-166.700110.9D1403 Q1404 K1424D1403-E1406 PolarHBondContact O-N 2.83Å; Q1404-E1406 VanDerWaalsContact C-N 3.33Å; E1406-K1424 IonicContact OE1-NZ 3.73Å; E1406-K1424 PolarHBondContact OE1-NZ 2.79Å; E1406-K1424 IonicContact OE2-NZ 3.59Å
1407S51.8Low63.9Low98 Ų9862.9 Ų62.969%0.68536%0.355SS*.Hα-helixtrans-96-25-177.460.80000115.2Q1404Q1404-S1407 PolarHBondContact O-N 3.37Å; Q1404-S1407 PolarHBondContact O-OG 3.4Å
1408S55.6Low62.9Low41 Ų4165.9 Ų65.929%0.28735%0.354SS..  trans-92.1103.7179.4-176.30000112.8Q1404 D1410 L1411 S1412Q1404-S1408 PolarHBondContact O-N 2.95Å; Q1404-S1408 VanDerWaalsContact O-N 3.16Å; S1408-D1410 VanDerWaalsContact C-N 3.28Å; S1408-D1410 PolarHBondContact O-N 3.08Å; S1408-L1411 PolarHBondContact O-N 3.11Å; S1408-S1412 WeakPolarHBondContact O-CB 3.46Å; S1408-S1412 PolarHBondContact O-N 2.9Å; S1408-S1412 VanDerWaalsContact O-N 3.12Å
1409A53.5Low62.1Low72 Ų7268 Ų6860%0.59536%0.363SS*.Hα-helixtrans-60-32.7-177.600000114.1
1410D50.5Low61.7Low99 Ų9966.6 Ų66.653%0.52936%0.355SS..Hα-helixtrans-77.3-37.5-178.1-75.7-26.4000112.5N1133 S1408 T1414N1133-D1410 WeakPolarHBondContact ND2-CB 3.4Å; S1408-D1410 VanDerWaalsContact C-N 3.28Å; S1408-D1410 PolarHBondContact O-N 3.08Å; D1410-T1414 PolarHBondContact O-OG1 3.25Å
1411L49.6Very low61.6Low27 Ų2765.9 Ų65.914%0.14135%0.35CS..Hα-helixtrans-77.8-31.9179.4-163.264.3000111.9N1133 F1405 S1408 R1413 T1414 I1415 L1538N1133-L1411 HydrophobicContact CB-CD1 4.09Å; F1405-L1411 HydrophobicContact CD1-CD2 3.72Å; F1405-L1411 HydrophobicContact CD1-CG 4.16Å; F1405-L1411 HydrophobicContact CE1-CD2 3.36Å; F1405-L1411 HydrophobicContact CE1-CG 4.04Å; F1405-L1411 HydrophobicContact CZ-CD2 4.23Å; S1408-L1411 PolarHBondContact O-N 3.11Å; L1411-R1413 PolarHBondContact O-N 3.2Å; L1411-T1414 PolarHBondContact O-N 3.21Å; L1411-I1415 HydrophobicContact CG-CD1 4.2Å; L1411-I1415 PolarHBondContact O-N 2.84Å; L1411-L1538 HydrophobicContact CD1-CD1 4.4Å
1412S53.3Low61.7Low15 Ų1570.2 Ų70.211%0.10537%0.369CS..Hα-helixtrans-64.6-26.4174.3-131.20000113.3F1405 S1408 G1416 I1417F1405-S1412 PolarHBondContact O-OG 2.88Å; F1405-S1412 VanDerWaalsContact O-OG 3.11Å; S1408-S1412 WeakPolarHBondContact O-CB 3.46Å; S1408-S1412 PolarHBondContact O-N 2.9Å; S1408-S1412 VanDerWaalsContact O-N 3.12Å; S1412-G1416 CarbonylContact O-C 3.59Å; S1412-G1416 WeakPolarHBondContact O-CA 3.38Å; S1412-G1416 PolarHBondContact O-N 3.26Å; S1412-I1417 PolarHBondContact O-N 3.4Å; S1412-I1417 WeakPolarHBondContact OG-CG1 3.21Å
1413R53.9Low62Low206 Ų20670.7 Ų70.778%0.77737%0.372SS*.Hα-helixtrans-71.9-38172.1-79-179.7-173.8169.53.5112.9L1411L1411-R1413 PolarHBondContact O-N 3.2Å
1414T51.9Low62.5Low86 Ų8669 Ų6953%0.52836%0.362SS..Hα-helixtrans-73.9-38.1-177-52.80000112.6D1410 L1411D1410-T1414 PolarHBondContact O-OG1 3.25Å; L1411-T1414 PolarHBondContact O-N 3.21Å
1415I55.7Low63.5Low14 Ų1466.1 Ų66.17%0.07235%0.348CS..Hα-helixtrans-95.1-25.1-177.7-60.1169.8000111.8F1405 L1411 H1419 C1420 L1535 L1538F1405-I1415 HydrophobicContact CD1-CD1 3.77Å; F1405-I1415 HydrophobicContact CE1-CD1 3.58Å; L1411-I1415 HydrophobicContact CG-CD1 4.2Å; L1411-I1415 PolarHBondContact O-N 2.84Å; I1415-H1419 HydrophobicContact CG2-CB 3.68Å; I1415-H1419 WeakPolarHBondContact O-CB 3.27Å; I1415-H1419 PolarHBondContact O-CD2 2.95Å; I1415-C1420 WeakPolarHBondContact CG2-SG 3.44Å; I1415-L1535 HydrophobicContact CB-CD1 4.09Å; I1415-L1535 HydrophobicContact CG1-CD1 4.06Å; I1415-L1535 HydrophobicContact CG2-CD1 3.72Å; I1415-L1538 HydrophobicContact CD1-CB 4.05Å; I1415-L1538 HydrophobicContact CD1-CD1 3.72Å; I1415-L1538 HydrophobicContact CD1-CD2 4.05Å; I1415-L1538 HydrophobicContact CD1-CG 4.15Å; I1415-L1538 HydrophobicContact CG1-CB 4.47Å; I1415-L1538 HydrophobicContact CG1-CD1 3.82Å
1416G57.5Low64.8Low27 Ų2766 Ų6628%0.27835%0.348SS..  trans75.2123.2-166.100000111S1412 R1418 H1419S1412-G1416 CarbonylContact O-C 3.59Å; S1412-G1416 WeakPolarHBondContact O-CA 3.38Å; S1412-G1416 PolarHBondContact O-N 3.26Å; G1416-R1418 PolarHBondContact O-N 2.94Å; G1416-H1419 PolarHBondContact O-N 3.42Å
1417I59Low66.5Low121 Ų12160.3 Ų60.362%0.62132%0.321SS*.Hα-helixtrans-43.8-34.1177.5-62.9158.9000112.9S1412 H1419 S1421S1412-I1417 PolarHBondContact O-N 3.4Å; S1412-I1417 WeakPolarHBondContact OG-CG1 3.21Å; I1417-H1419 PolarHBondContact O-N 3.13Å; I1417-S1421 PolarHBondContact O-N 3.21Å; I1417-S1421 PolarHBondContact O-OG 2.83Å
1418R61.9Low68.3Low162 Ų16256.1 Ų56.161%0.61129%0.291SS*.Hα-helixtrans-68.8-27.8179.7-67.4-171.9-177.1-177.32.1114.5G1416 S1421 K1422G1416-R1418 PolarHBondContact O-N 2.94Å; R1418-S1421 PolarHBondContact O-OG 2.78Å; R1418-K1422 WeakPolarHBondContact O-CD 3.36Å; R1418-K1422 VanDerWaalsContact O-CG 3.26Å; R1418-K1422 WeakPolarHBondContact O-CG 3.38Å
1419H69Low70Confident64 Ų6454.2 Ų54.230%0.29628%0.277SS..Hα-helixtrans-81.9-37.3177.3-67.4-90.7000110.9I1415 G1416 I1417 K1422 L1423 F1524I1415-H1419 HydrophobicContact CG2-CB 3.68Å; I1415-H1419 WeakPolarHBondContact O-CB 3.27Å; I1415-H1419 PolarHBondContact O-CD2 2.95Å; G1416-H1419 PolarHBondContact O-N 3.42Å; I1417-H1419 PolarHBondContact O-N 3.13Å; H1419-K1422 PolarHBondContact O-N 3.13Å; H1419-L1423 WeakPolarHBondContact O-CB 3.44Å; H1419-L1423 PolarHBondContact O-N 2.59Å; H1419-F1524 AromaticContact ND1-CD1 3.75Å
1420C71.8Confident71.8Confident9 Ų950.8 Ų50.86%0.06125%0.249CC..Hα-helixtrans-61.3-49.5177.4-570000112.4F1405 I1415 K1422 L1423 K1424F1405-C1420 HydrophobicContact CB-CB 3.66Å; F1405-C1420 HydrophobicContact CG-CB 4.21Å; I1415-C1420 WeakPolarHBondContact CG2-SG 3.44Å; C1420-K1422 VanDerWaalsContact C-N 3.32Å; C1420-K1422 PolarHBondContact O-N 3.07Å; C1420-L1423 PolarHBondContact O-N 2.97Å; C1420-L1423 VanDerWaalsContact O-N 3.15Å; C1420-K1424 WeakPolarHBondContact O-CB 3.49Å; C1420-K1424 PolarHBondContact O-N 3.44Å
1421S76.8Confident73.6Confident57 Ų5748.7 Ų48.740%0.39923%0.234SC..Hα-helixtrans-60.2-38.5177.447.20000113I1417 R1418 L1425I1417-S1421 PolarHBondContact O-N 3.21Å; I1417-S1421 PolarHBondContact O-OG 2.83Å; R1418-S1421 PolarHBondContact O-OG 2.78Å; S1421-L1425 WeakPolarHBondContact O-CB 3.34Å; S1421-L1425 PolarHBondContact O-N 2.89Å
1422K83.6Confident75.5Confident97 Ų9749.6 Ų49.642%0.42224%0.237SC..Hα-helixtrans-68.3-38.8174.4-72.6174.5-173.8176.70112.4R1418 H1419 C1420 L1425 Y1426 F1524R1418-K1422 WeakPolarHBondContact O-CD 3.36Å; R1418-K1422 VanDerWaalsContact O-CG 3.26Å; R1418-K1422 WeakPolarHBondContact O-CG 3.38Å; H1419-K1422 PolarHBondContact O-N 3.13Å; C1420-K1422 VanDerWaalsContact C-N 3.32Å; C1420-K1422 PolarHBondContact O-N 3.07Å; K1422-L1425 WeakPolarHBondContact O-CB 3.32Å; K1422-L1425 PolarHBondContact O-N 3.28Å; K1422-Y1426 WeakPolarHBondContact O-CD2 3.42Å; K1422-Y1426 PolarHBondContact O-N 2.68Å; K1422-Y1426 VanDerWaalsContact O-N 3.09Å; K1422-F1524 HydrophobicContact CB-CE1 3.72Å; K1422-F1524 HydrophobicContact CB-CZ 4.17Å; K1422-F1524 HydrophobicContact CD-CE1 4.43Å
1423L84.4Confident77.2Confident13 Ų1351.2 Ų51.27%0.06824%0.241CC..Hα-helixtrans-69.1-40.3178.1-16763.2000111.5W1401 F1402 H1419 C1420 L1425 Y1426 A1427 F1524 L1543W1401-L1423 HydrophobicContact CZ3-CD2 4.42Å; F1402-L1423 HydrophobicContact CE1-CG 4.15Å; H1419-L1423 WeakPolarHBondContact O-CB 3.44Å; H1419-L1423 PolarHBondContact O-N 2.59Å; C1420-L1423 PolarHBondContact O-N 2.97Å; C1420-L1423 VanDerWaalsContact O-N 3.15Å; L1423-L1425 VanDerWaalsContact C-N 3.3Å; L1423-L1425 PolarHBondContact O-N 2.88Å; L1423-Y1426 WeakPolarHBondContact O-CB 3.26Å; L1423-Y1426 PolarHBondContact O-N 2.86Å; L1423-Y1426 VanDerWaalsContact O-N 3.14Å; L1423-A1427 PolarHBondContact O-N 3.07Å; L1423-A1427 VanDerWaalsContact O-N 3.11Å; L1423-F1524 HydrophobicContact CB-CZ 4.22Å; L1423-F1524 HydrophobicContact CD1-CD2 4.4Å; L1423-F1524 HydrophobicContact CD1-CE2 3.66Å; L1423-F1524 HydrophobicContact CD1-CZ 3.98Å; L1423-L1543 HydrophobicContact CD1-CD2 4Å; L1423-L1543 HydrophobicContact CD1-CG 4.09Å
1424K87.4Confident78.8Confident30 Ų3041.4 Ų41.413%0.1320%0.204CC..Hα-helixtrans-58.8-41169.9-178.8170.3169.3178.80111.7V1398 F1402 D1403 E1406 C1420 Y1426 A1427 Q1428V1398-K1424 HydrophobicContact CG2-CG 4.18Å; F1402-K1424 HydrophobicContact CB-CB 4.06Å; F1402-K1424 HydrophobicContact CB-CD 4.21Å; F1402-K1424 HydrophobicContact CB-CG 3.95Å; F1402-K1424 HydrophobicContact CD1-CB 4.43Å; F1402-K1424 HydrophobicContact CG-CB 4.5Å; D1403-K1424 WeakPolarHBondContact OD1-CE 3.45Å; D1403-K1424 IonicContact OD1-NZ 2.76Å; D1403-K1424 PolarHBondContact OD1-NZ 3.04Å; E1406-K1424 IonicContact OE1-NZ 3.73Å; E1406-K1424 PolarHBondContact OE1-NZ 2.79Å; E1406-K1424 IonicContact OE2-NZ 3.59Å; C1420-K1424 WeakPolarHBondContact O-CB 3.49Å; C1420-K1424 PolarHBondContact O-N 3.44Å; K1424-Y1426 VanDerWaalsContact C-N 3.34Å; K1424-Y1426 PolarHBondContact O-N 3.31Å; K1424-A1427 WeakPolarHBondContact O-CB 3.42Å; K1424-A1427 PolarHBondContact O-N 3.01Å; K1424-Q1428 WeakPolarHBondContact O-CG 3.33Å; K1424-Q1428 PolarHBondContact O-N 3.46Å
1425L88.6Confident80.5Confident20 Ų2037.3 Ų37.311%0.10518%0.179CC..Hα-helixtrans-61.7-39.6174.1-18062.9000112.5V1385 H1389 A1390 L1393 S1421 K1422 L1423 A1427 Q1428 V1429V1385-L1425 HydrophobicContact CG1-CD2 4.04Å; V1385-L1425 HydrophobicContact CG1-CG 3.9Å; H1389-L1425 HydrophobicContact CB-CD1 4.39Å; A1390-L1425 HydrophobicContact CB-CD1 4.12Å; A1390-L1425 HydrophobicContact CB-CD2 3.88Å; L1393-L1425 HydrophobicContact CD1-CD1 4.35Å; S1421-L1425 WeakPolarHBondContact O-CB 3.34Å; S1421-L1425 PolarHBondContact O-N 2.89Å; K1422-L1425 WeakPolarHBondContact O-CB 3.32Å; K1422-L1425 PolarHBondContact O-N 3.28Å; L1423-L1425 VanDerWaalsContact C-N 3.3Å; L1423-L1425 PolarHBondContact O-N 2.88Å; L1425-A1427 VanDerWaalsContact C-N 3.35Å; L1425-Q1428 PolarHBondContact O-N 3.4Å; L1425-V1429 HydrophobicContact CD1-CG2 4.34Å; L1425-V1429 WeakPolarHBondContact O-CG2 3.5Å; L1425-V1429 PolarHBondContact O-N 2.77Å
1426Y90.7Very high81.8Confident8 Ų839.7 Ų39.73%0.03120%0.195CC..Hα-helixtrans-58.1-48172.5-92.8-112.9000110.9V1341 P1343 V1385 K1422 L1423 K1424 Q1428 V1429 C1430 P1523 F1524 L1543V1341-Y1426 HydrophobicContact CG1-CD1 4.17Å; V1341-Y1426 HydrophobicContact CG1-CE1 4.01Å; P1343-Y1426 VanDerWaalsContact CD-OH 3.28Å; P1343-Y1426 WeakPolarHBondContact CD-OH 3.33Å; P1343-Y1426 VanDerWaalsContact CG-OH 3.29Å; P1343-Y1426 WeakPolarHBondContact CG-OH 3.49Å; V1385-Y1426 HydrophobicContact CB-CD2 4.3Å; V1385-Y1426 HydrophobicContact CB-CE2 3.96Å; V1385-Y1426 HydrophobicContact CG1-CD2 3.62Å; V1385-Y1426 HydrophobicContact CG1-CE2 3.68Å; V1385-Y1426 HydrophobicContact CG1-CG 4.25Å; V1385-Y1426 HydrophobicContact CG2-CE1 4.41Å; V1385-Y1426 HydrophobicContact CG2-CE2 4.46Å; K1422-Y1426 WeakPolarHBondContact O-CD2 3.42Å; K1422-Y1426 PolarHBondContact O-N 2.68Å; K1422-Y1426 VanDerWaalsContact O-N 3.09Å; L1423-Y1426 WeakPolarHBondContact O-CB 3.26Å; L1423-Y1426 PolarHBondContact O-N 2.86Å; L1423-Y1426 VanDerWaalsContact O-N 3.14Å; K1424-Y1426 VanDerWaalsContact C-N 3.34Å; K1424-Y1426 PolarHBondContact O-N 3.31Å; Y1426-Q1428 VanDerWaalsContact C-N 3.33Å; Y1426-Q1428 PolarHBondContact O-N 2.87Å; Y1426-V1429 PolarHBondContact O-N 2.77Å; Y1426-C1430 WeakPolarHBondContact O-CB 3.43Å; Y1426-C1430 PolarHBondContact O-N 2.84Å; Y1426-C1430 PolarHBondContact O-SG 3.05Å; Y1426-C1430 VanDerWaalsContact O-SG 3.34Å; Y1426-P1523 HydrophobicContact CE2-CG 4.38Å; Y1426-F1524 HydrophobicContact CD2-CZ 4.27Å; Y1426-F1524 HydrophobicContact CE2-CZ 4.32Å; Y1426-L1543 HydrophobicContact CD1-CD2 4.07Å
1427A89.6Confident82.9Confident0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-60-43178.100000112.1V1398 F1402 L1423 K1424 L1425 V1429 C1430 R1431 C1546V1398-A1427 HydrophobicContact CB-CB 4.41Å; V1398-A1427 HydrophobicContact CG1-CB 4.19Å; F1402-A1427 HydrophobicContact CD1-CB 4.37Å; F1402-A1427 HydrophobicContact CD2-CB 3.89Å; F1402-A1427 HydrophobicContact CE1-CB 3.97Å; F1402-A1427 HydrophobicContact CE2-CB 3.46Å; F1402-A1427 VanDerWaalsContact CE2-CB 3.46Å; F1402-A1427 HydrophobicContact CG-CB 4.34Å; F1402-A1427 HydrophobicContact CZ-CB 3.5Å; L1423-A1427 PolarHBondContact O-N 3.07Å; L1423-A1427 VanDerWaalsContact O-N 3.11Å; K1424-A1427 WeakPolarHBondContact O-CB 3.42Å; K1424-A1427 PolarHBondContact O-N 3.01Å; L1425-A1427 VanDerWaalsContact C-N 3.35Å; A1427-V1429 PolarHBondContact O-N 3.11Å; A1427-C1430 PolarHBondContact O-N 3.48Å; A1427-R1431 WeakPolarHBondContact O-CB 3.49Å; A1427-R1431 PolarHBondContact O-N 3.15Å; A1427-C1546 VanDerWaalsContact CA-SG 3.52Å; A1427-C1546 HydrophobicContact CB-CB 4.48Å; A1427-C1546 PolarHBondContact N-SG 2.85Å
1428Q91.1Very high83.9Confident11 Ų1136.1 Ų36.15%0.05117%0.169CC..Hα-helixtrans-63.9-41.7178-72.1174.2-30.200112.1L1393 K1396 V1398 K1424 L1425 Y1426 H1432L1393-Q1428 HydrophobicContact CB-CB 4.15Å; L1393-Q1428 HydrophobicContact CD1-CB 3.93Å; L1393-Q1428 HydrophobicContact CG-CB 4.47Å; L1393-Q1428 PolarHBondContact O-NE2 3.18Å; K1396-Q1428 PolarHBondContact O-NE2 2.81Å; V1398-Q1428 HydrophobicContact CG1-CB 4.21Å; V1398-Q1428 HydrophobicContact CG1-CG 3.58Å; V1398-Q1428 HydrophobicContact CG2-CG 4.22Å; K1424-Q1428 WeakPolarHBondContact O-CG 3.33Å; K1424-Q1428 PolarHBondContact O-N 3.46Å; L1425-Q1428 PolarHBondContact O-N 3.4Å; Y1426-Q1428 VanDerWaalsContact C-N 3.33Å; Y1426-Q1428 PolarHBondContact O-N 2.87Å; Q1428-H1432 WeakPolarHBondContact O-CB 3.41Å; Q1428-H1432 PolarHBondContact O-CD2 3Å; Q1428-H1432 VanDerWaalsContact O-CD2 3.31Å; Q1428-H1432 PolarHBondContact O-N 2.96Å
1429V90.8Very high84.5Confident1 Ų132 Ų321%0.00616%0.156CC..Hα-helixtrans-66.4-43.2175.7173.60000110.7M1383 V1385 H1389 L1393 L1425 Y1426 A1427 R1431 Y1433 L1434M1383-V1429 HydrophobicContact CG-CG1 3.88Å; M1383-V1429 HydrophobicContact SD-CG1 4.33Å; V1385-V1429 HydrophobicContact CG1-CG2 4.16Å; V1385-V1429 HydrophobicContact CG2-CB 4.28Å; V1385-V1429 HydrophobicContact CG2-CG1 4.07Å; V1385-V1429 HydrophobicContact CG2-CG2 4.35Å; H1389-V1429 HydrophobicContact CB-CG2 3.83Å; L1393-V1429 HydrophobicContact CD1-CB 4.45Å; L1393-V1429 HydrophobicContact CD1-CG2 3.61Å; L1425-V1429 HydrophobicContact CD1-CG2 4.34Å; L1425-V1429 WeakPolarHBondContact O-CG2 3.5Å; L1425-V1429 PolarHBondContact O-N 2.77Å; Y1426-V1429 PolarHBondContact O-N 2.77Å; A1427-V1429 PolarHBondContact O-N 3.11Å; V1429-R1431 PolarHBondContact O-N 3.09Å; V1429-Y1433 WeakPolarHBondContact O-CB 3.43Å; V1429-Y1433 PolarHBondContact O-N 2.99Å; V1429-L1434 PolarHBondContact O-N 3.37Å
1430C90.3Very high84.6Confident0 Ų030.5 Ų30.50%015%0.152CC..Iπ-helixtrans-57.6-46.7176.7-780000112Y1426 A1427 L1434 A1435 C1546 I1550Y1426-C1430 WeakPolarHBondContact O-CB 3.43Å; Y1426-C1430 PolarHBondContact O-N 2.84Å; Y1426-C1430 PolarHBondContact O-SG 3.05Å; Y1426-C1430 VanDerWaalsContact O-SG 3.34Å; A1427-C1430 PolarHBondContact O-N 3.48Å; C1430-L1434 WeakPolarHBondContact O-CB 3.49Å; C1430-A1435 PolarHBondContact O-N 3.35Å; C1430-C1546 HydrophobicContact CB-CB 4.27Å; C1430-C1546 WeakPolarHBondContact CB-O 3.42Å; C1430-I1550 HydrophobicContact CB-CD1 4.1Å; C1430-I1550 HydrophobicContact CB-CG1 3.74Å
1431R89.7Confident84Confident55 Ų5536.6 Ų36.621%0.20819%0.191CC..Iπ-helixtrans-70.9-54.8179-166.9-172.7177.785.413.4112.9V1398 A1427 V1429 P1436 E1549V1398-R1431 HydrophobicContact CG1-CB 4.47Å; A1427-R1431 WeakPolarHBondContact O-CB 3.49Å; A1427-R1431 PolarHBondContact O-N 3.15Å; V1429-R1431 PolarHBondContact O-N 3.09Å; R1431-P1436 VanDerWaalsContact O-CD 3.29Å; R1431-P1436 WeakPolarHBondContact O-CD 3.5Å; R1431-E1549 HydrophobicContact CB-CB 4.1Å; R1431-E1549 VanDerWaalsContact CD-OE2 3.26Å; R1431-E1549 WeakPolarHBondContact CD-OE2 3.19Å; R1431-E1549 IonicContact CZ-OE2 2.88Å; R1431-E1549 IonicContact NE-OE2 3.74Å; R1431-E1549 IonicContact NH1-OE2 3.77Å; R1431-E1549 PolarHBondContact NH1-OE2 3.49Å
1432H89.6Confident83Confident45 Ų4540.1 Ų40.121%0.20821%0.205CC..Iπ-helixtrans-93.8-15-162.4-65.2-72.7000114.8L1393 K1396 P1397 Q1428L1393-H1432 HydrophobicContact CD2-CB 3.83Å; K1396-H1432 WeakPolarHBondContact CB-NE2 3.22Å; K1396-H1432 HydrophobicContact CD-CB 4Å; P1397-H1432 PolarHBondContact O-NE2 3.48Å; Q1428-H1432 WeakPolarHBondContact O-CB 3.41Å; Q1428-H1432 PolarHBondContact O-CD2 3Å; Q1428-H1432 VanDerWaalsContact O-CD2 3.31Å; Q1428-H1432 PolarHBondContact O-N 2.96Å
1433Y87.8Confident81.6Confident49 Ų4940.8 Ų40.819%0.19220%0.204CC..Iπ-helixtrans-117.1-54.3175.6-74.2-95000110.7H1389 Q1392 L1393 V1429 P1436 H1437H1389-Y1433 AromaticContact CD2-CZ 4Å; Q1392-Y1433 PolarHBondContact OE1-OH 3.26Å; L1393-Y1433 HydrophobicContact CD1-CD2 3.82Å; L1393-Y1433 HydrophobicContact CD1-CE2 3.61Å; L1393-Y1433 HydrophobicContact CD2-CD2 4.09Å; L1393-Y1433 HydrophobicContact CD2-CE2 3.54Å; L1393-Y1433 HydrophobicContact CG-CD2 4.31Å; L1393-Y1433 HydrophobicContact CG-CE2 3.67Å; V1429-Y1433 WeakPolarHBondContact O-CB 3.43Å; V1429-Y1433 PolarHBondContact O-N 2.99Å; Y1433-P1436 WeakPolarHBondContact O-CD 3.31Å; Y1433-H1437 PolarHBondContact O-CD2 3.45Å; Y1433-H1437 VanDerWaalsContact O-CG 3.25Å; Y1433-H1437 PolarHBondContact O-N 2.84Å
1434L88.6Confident80.9Confident0 Ų042.8 Ų42.80%022%0.215CC..Iπ-helixtrans-68.5-47.7-172.1-179.558.9000113.1I1339 V1341 V1429 C1430 H1437 I1438 I1518 I1550I1339-L1434 HydrophobicContact CB-CD1 4.28Å; I1339-L1434 HydrophobicContact CD1-CD1 3.63Å; I1339-L1434 HydrophobicContact CG2-CD1 3.71Å; V1341-L1434 HydrophobicContact CG2-CD2 3.71Å; V1429-L1434 PolarHBondContact O-N 3.37Å; C1430-L1434 WeakPolarHBondContact O-CB 3.49Å; L1434-H1437 PolarHBondContact O-N 3.13Å; L1434-H1437 VanDerWaalsContact O-N 3.15Å; L1434-I1438 HydrophobicContact CD1-CD1 3.94Å; L1434-I1438 HydrophobicContact CD1-CG1 4.22Å; L1434-I1438 HydrophobicContact CG-CD1 3.83Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.48Å; L1434-I1438 PolarHBondContact O-N 2.95Å; L1434-I1438 VanDerWaalsContact O-N 3.1Å; L1434-I1518 HydrophobicContact CD2-CD1 4.26Å; L1434-I1518 HydrophobicContact CD2-CG2 4.29Å; L1434-I1550 HydrophobicContact CD2-CD1 3.53Å; L1434-I1550 HydrophobicContact CD2-CG1 4.28Å; L1434-I1550 HydrophobicContact CG-CD1 4.25Å
1435A86.9Confident80.3Confident1 Ų141.6 Ų41.61%0.00821%0.211CC..Hα-helixtrans-61.1-46.2-177.800000113.7C1430 H1437 I1438 F1439 I1550 D1553C1430-A1435 PolarHBondContact O-N 3.35Å; A1435-H1437 PolarHBondContact O-N 2.87Å; A1435-I1438 PolarHBondContact O-N 3.34Å; A1435-I1438 VanDerWaalsContact O-N 3.15Å; A1435-F1439 PolarHBondContact O-N 2.85Å; A1435-I1550 HydrophobicContact CB-CB 4.47Å; A1435-I1550 HydrophobicContact CB-CG2 4.03Å; A1435-D1553 HydrophobicContact CB-CB 4.08Å
1436P83.7Confident79.6Confident63 Ų6341.9 Ų41.941%0.40921%0.211SC..Hα-helixtrans-61.3-29.3174.2-25.234.5000114R1431 Y1433 F1439 S1440R1431-P1436 VanDerWaalsContact O-CD 3.29Å; R1431-P1436 WeakPolarHBondContact O-CD 3.5Å; Y1433-P1436 WeakPolarHBondContact O-CD 3.31Å; P1436-F1439 CarbonylContact O-C 3.35Å; P1436-S1440 PolarHBondContact O-N 3.41Å
1437H78.9Confident78.9Confident73 Ų7345.3 Ų45.334%0.33823%0.23SC..Hα-helixtrans-76.6-27.7177.2-73.5-44.2000113.4V1377 Y1433 L1434 A1435V1377-H1437 HydrophobicContact CG1-CB 3.99Å; V1377-H1437 VanDerWaalsContact CG1-ND1 3.3Å; V1377-H1437 WeakPolarHBondContact CG1-ND1 3.42Å; Y1433-H1437 PolarHBondContact O-CD2 3.45Å; Y1433-H1437 VanDerWaalsContact O-CG 3.25Å; Y1433-H1437 PolarHBondContact O-N 2.84Å; L1434-H1437 PolarHBondContact O-N 3.13Å; L1434-H1437 VanDerWaalsContact O-N 3.15Å; A1435-H1437 PolarHBondContact O-N 2.87Å
1438I80.5Confident78.2Confident0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-75.3-39.9176.2-66.7162.5000110.7I1339 L1434 A1435 A1445 F1446 I1518 I1550 I1554I1339-I1438 HydrophobicContact CD1-CG1 4.02Å; L1434-I1438 HydrophobicContact CD1-CD1 3.94Å; L1434-I1438 HydrophobicContact CD1-CG1 4.22Å; L1434-I1438 HydrophobicContact CG-CD1 3.83Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.48Å; L1434-I1438 PolarHBondContact O-N 2.95Å; L1434-I1438 VanDerWaalsContact O-N 3.1Å; A1435-I1438 PolarHBondContact O-N 3.34Å; A1435-I1438 VanDerWaalsContact O-N 3.15Å; I1438-A1445 HydrophobicContact CG2-CB 4.14Å; I1438-A1445 WeakPolarHBondContact O-CB 3.48Å; I1438-A1445 PolarHBondContact O-N 3.17Å; I1438-F1446 HydrophobicContact CG2-CE2 4.02Å; I1438-F1446 HydrophobicContact CG2-CZ 4.25Å; I1438-I1518 HydrophobicContact CD1-CD1 3.58Å; I1438-I1550 HydrophobicContact CD1-CG2 3.7Å; I1438-I1554 HydrophobicContact CB-CD1 4.3Å; I1438-I1554 HydrophobicContact CD1-CD1 4.44Å; I1438-I1554 HydrophobicContact CG2-CD1 3.74Å
1439F74.3Confident77.3Confident77 Ų7750.9 Ų50.934%0.33826%0.256SS..BIsolated β-bridgetrans-119.161.5-176.6-161.1-98.8000111.6A1435 P1436 P1555 F1558A1435-F1439 PolarHBondContact O-N 2.85Å; P1436-F1439 CarbonylContact O-C 3.35Å; F1439-P1555 HydrophobicContact CD1-CG 4.42Å; F1439-P1555 HydrophobicContact CD2-CG 4.37Å; F1439-P1555 HydrophobicContact CE1-CG 3.8Å; F1439-P1555 HydrophobicContact CE2-CG 3.74Å; F1439-P1555 HydrophobicContact CZ-CG 3.43Å; F1439-P1555 VanDerWaalsContact CZ-CG 3.43Å; F1439-F1558 AromaticContact CE2-CD2 3.89Å; F1439-F1558 HydrophobicContact CE2-CD2 3.89Å; F1439-F1558 AromaticContact CE2-CE2 3.91Å; F1439-F1558 HydrophobicContact CE2-CE2 3.91Å
1440S71.3Confident76.4Confident31 Ų3151.2 Ų51.222%0.21726%0.258CS..  trans-89.9137.1171.9-177.40000110.1P1436 I1442 W1443P1436-S1440 PolarHBondContact O-N 3.41Å; S1440-I1442 PolarHBondContact O-N 3.33Å; S1440-I1442 VanDerWaalsContact O-N 3.14Å; S1440-I1442 PolarHBondContact OG-N 2.85Å; S1440-W1443 WeakPolarHBondContact CB-O 3.4Å; S1440-W1443 PolarHBondContact N-O 3.25Å; S1440-W1443 CarbonylContact O-C 3.5Å; S1440-W1443 PolarHBondContact O-N 3.02Å
1441P58.9Low75.6Confident137 Ų13751.7 Ų51.789%0.8926%0.26SS*.SBendtrans-63.2-19.1175.622.7-31.3000113.4
1442I56.6Low74.4Confident132 Ų13252.3 Ų52.368%0.67727%0.273SS*.SBendtrans-88.4-28175.8-55169.6000110.4S1440S1440-I1442 PolarHBondContact O-N 3.33Å; S1440-I1442 VanDerWaalsContact O-N 3.14Å; S1440-I1442 PolarHBondContact OG-N 2.85Å
1443W54.8Low72.7Confident110 Ų11053.1 Ų53.142%0.41728%0.277SS..  trans-141.7102.6-173.4-57.4107.8000110.2R1376 S1440R1376-W1443 VanDerWaalsContact CD-CE3 3.5Å; R1376-W1443 HydrophobicContact CG-CZ3 4.32Å; R1376-W1443 VanDerWaalsContact CZ-CZ3 3.48Å; S1440-W1443 WeakPolarHBondContact CB-O 3.4Å; S1440-W1443 PolarHBondContact N-O 3.25Å; S1440-W1443 CarbonylContact O-C 3.5Å; S1440-W1443 PolarHBondContact O-N 3.02Å
1444N68.9Low71Confident56 Ų5652.6 Ų52.630%0.29928%0.281SS..BIsolated β-bridgetrans-95.1113.3176.1-168.5-12000109F1446 D1447N1444-F1446 PolarHBondContact O-N 3.36Å; N1444-F1446 WeakPolarHBondContact OD1-CB 3.41Å; N1444-F1446 WeakPolarHBondContact OD1-CD2 3.33Å; N1444-F1446 PolarHBondContact OD1-N 2.98Å; N1444-D1447 HydrophobicContact CB-CB 4.25Å; N1444-D1447 WeakPolarHBondContact O-CB 3.18Å; N1444-D1447 PolarHBondContact O-N 3.37Å
1445A73.9Confident69.1Low4 Ų455.6 Ų55.63%0.03331%0.305CS..THydrogen-bonded Turntrans-58.9-18175.700000112.8I1374 I1438 H1514 V1516I1374-A1445 HydrophobicContact CD1-CB 3.73Å; I1438-A1445 HydrophobicContact CG2-CB 4.14Å; I1438-A1445 WeakPolarHBondContact O-CB 3.48Å; I1438-A1445 PolarHBondContact O-N 3.17Å; A1445-H1514 PolarHBondContact O-NE2 2.9Å; A1445-V1516 HydrophobicContact CB-CG2 4.37Å
1446F75.7Confident67Low27 Ų2762 Ų6212%0.11833%0.333CS..THydrogen-bonded Turntrans-87.8-0.6175.5-55-75.5000113.5I1438 N1444 H1514 V1516 F1558 C1561 M1562I1438-F1446 HydrophobicContact CG2-CE2 4.02Å; I1438-F1446 HydrophobicContact CG2-CZ 4.25Å; N1444-F1446 PolarHBondContact O-N 3.36Å; N1444-F1446 WeakPolarHBondContact OD1-CB 3.41Å; N1444-F1446 WeakPolarHBondContact OD1-CD2 3.33Å; N1444-F1446 PolarHBondContact OD1-N 2.98Å; F1446-H1514 PolarHBondContact O-CE1 3.37Å; F1446-H1514 VanDerWaalsContact O-CE1 3.22Å; F1446-V1516 HydrophobicContact CD1-CG2 3.72Å; F1446-V1516 HydrophobicContact CE1-CB 4.07Å; F1446-V1516 HydrophobicContact CE1-CG2 3.56Å; F1446-V1516 HydrophobicContact CZ-CG2 4.26Å; F1446-F1558 HydrophobicContact CB-CD1 4.14Å; F1446-F1558 HydrophobicContact CB-CE1 4.33Å; F1446-F1558 HydrophobicContact CD1-CB 4.48Å; F1446-F1558 HydrophobicContact CD1-CD1 4.34Å; F1446-F1558 HydrophobicContact CD2-CB 4.06Å; F1446-F1558 HydrophobicContact CD2-CD1 4.05Å; F1446-F1558 HydrophobicContact CD2-CG 4.03Å; F1446-F1558 HydrophobicContact CE1-CB 4.21Å; F1446-F1558 HydrophobicContact CE2-CB 3.8Å; F1446-F1558 HydrophobicContact CE2-CG 4.24Å; F1446-F1558 HydrophobicContact CG-CB 4.42Å; F1446-F1558 AromaticContact CG-CD1 3.91Å; F1446-F1558 HydrophobicContact CG-CD1 3.91Å; F1446-F1558 HydrophobicContact CG-CG 4.33Å; F1446-F1558 HydrophobicContact CZ-CB 3.88Å; F1446-C1561 HydrophobicContact CD1-CB 4.19Å; F1446-C1561 HydrophobicContact CE1-CB 4.05Å; F1446-M1562 HydrophobicContact CE1-CG 3.95Å; F1446-M1562 HydrophobicContact CZ-CG 3.71Å; F1446-M1562 HydrophobicContact CZ-SD 4.01Å
1447D75.1Confident64.9Low80 Ų8064.2 Ų64.243%0.42834%0.341SS..SBendtrans-83.6135.1172.5-176.813.5000111.2N1444 S1449 V1450 H1514N1444-D1447 HydrophobicContact CB-CB 4.25Å; N1444-D1447 WeakPolarHBondContact O-CB 3.18Å; N1444-D1447 PolarHBondContact O-N 3.37Å; D1447-S1449 VanDerWaalsContact CG-OG 3.28Å; D1447-S1449 PolarHBondContact O-N 2.72Å; D1447-S1449 PolarHBondContact OD1-N 3.17Å; D1447-S1449 VanDerWaalsContact OD2-CB 3.31Å; D1447-S1449 WeakPolarHBondContact OD2-CB 3.39Å; D1447-S1449 PolarHBondContact OD2-OG 2.93Å; D1447-V1450 VanDerWaalsContact O-CG2 3.29Å; D1447-V1450 WeakPolarHBondContact O-CG2 3.5Å; D1447-V1450 PolarHBondContact O-N 3.49Å; D1447-H1514 PolarHBondContact O-CE1 3.1Å
1448R74.6Confident62.9Low94 Ų9465.8 Ų65.836%0.35536%0.359SS..THydrogen-bonded Turntrans-70.1-14.7179.5-81.9-171.4170.7178.92.9114V1450 F1451 N1510 F1512R1448-V1450 PolarHBondContact O-N 3.41Å; R1448-F1451 PolarHBondContact O-N 2.87Å; R1448-N1510 PolarHBondContact NH1-O 2.88Å; R1448-N1510 VanDerWaalsContact NH2-C 3.28Å; R1448-N1510 PolarHBondContact NH2-O 3.48Å; R1448-F1512 PolarHBondContact NH2-O 2.89Å
1449S71.6Confident60.8Low34 Ų3473.5 Ų73.524%0.23840%0.395CS..THydrogen-bonded Turntrans-57.2-15.7174.171.20000113.3R1376 D1447 F1451 S1452R1376-S1449 PolarHBondContact NH1-OG 3.14Å; R1376-S1449 PolarHBondContact NH2-O 3.34Å; D1447-S1449 VanDerWaalsContact CG-OG 3.28Å; D1447-S1449 PolarHBondContact O-N 2.72Å; D1447-S1449 PolarHBondContact OD1-N 3.17Å; D1447-S1449 VanDerWaalsContact OD2-CB 3.31Å; D1447-S1449 WeakPolarHBondContact OD2-CB 3.39Å; D1447-S1449 PolarHBondContact OD2-OG 2.93Å; S1449-F1451 VanDerWaalsContact C-N 3.27Å; S1449-F1451 PolarHBondContact O-N 3.22Å; S1449-S1452 PolarHBondContact O-N 2.67Å; S1449-S1452 PolarHBondContact O-OG 2.74Å
1450V73Confident58.9Low7 Ų777.8 Ų77.84%0.04242%0.416CS..Hα-helixtrans-61.2-33173.7179.60000112.4V1337 D1447 R1448V1337-V1450 HydrophobicContact CG1-CG1 4.09Å; V1337-V1450 HydrophobicContact CG2-CG1 4.49Å; D1447-V1450 VanDerWaalsContact O-CG2 3.29Å; D1447-V1450 WeakPolarHBondContact O-CG2 3.5Å; D1447-V1450 PolarHBondContact O-N 3.49Å; R1448-V1450 PolarHBondContact O-N 3.41Å
1451F73.1Confident57Low10 Ų1085.2 Ų85.24%0.04445%0.448CS..Hα-helixtrans-82.2-19.1-179.2-65.5-78.3000114.4D1335 V1337 R1370 C1372 R1448 S1449 E1453 H1514D1335-F1451 HydrophobicContact CB-CE1 4.4Å; D1335-F1451 HydrophobicContact CB-CE2 4.22Å; D1335-F1451 HydrophobicContact CB-CZ 3.74Å; V1337-F1451 HydrophobicContact CG2-CE1 3.8Å; V1337-F1451 HydrophobicContact CG2-CE2 3.62Å; V1337-F1451 HydrophobicContact CG2-CZ 3.18Å; R1370-F1451 HydrophobicContact CB-CD1 4.36Å; R1370-F1451 HydrophobicContact CB-CE1 3.98Å; C1372-F1451 HydrophobicContact CB-CD1 4.39Å; C1372-F1451 HydrophobicContact CB-CE1 4.22Å; R1448-F1451 PolarHBondContact O-N 2.87Å; S1449-F1451 VanDerWaalsContact C-N 3.27Å; S1449-F1451 PolarHBondContact O-N 3.22Å; F1451-E1453 VanDerWaalsContact C-N 3.29Å; F1451-E1453 PolarHBondContact O-N 3.21Å; F1451-H1514 HydrophobicContact CE2-CB 3.66Å; F1451-H1514 AromaticContact CE2-CG 3.64Å; F1451-H1514 AromaticContact CE2-ND1 3.89Å; F1451-H1514 HydrophobicContact CZ-CB 3.9Å
1452S64.7Low55.5Low69 Ų6982.5 Ų82.548%0.48344%0.437SS..Hα-helixtrans-77.3-16.4-178.461.60000113S1449S1449-S1452 PolarHBondContact O-N 2.67Å; S1449-S1452 PolarHBondContact O-OG 2.74Å
1453E53.4Low54.1Low61 Ų6182.9 Ų82.929%0.28544%0.44SS..Hα-helixtrans-85.5-35.6174.9-85.4176.3-166.400113.5R1376 F1451 A1455 K1456R1376-E1453 WeakPolarHBondContact CD-OE2 3.49Å; R1376-E1453 WeakPolarHBondContact CG-OE2 3.45Å; R1376-E1453 IonicContact CZ-OE1 3.69Å; R1376-E1453 VanDerWaalsContact CZ-OE1 3.24Å; R1376-E1453 IonicContact CZ-OE2 3.4Å; R1376-E1453 IonicContact NE-OE1 3.74Å; R1376-E1453 PolarHBondContact NE-OE1 3.03Å; R1376-E1453 IonicContact NE-OE2 2.88Å; R1376-E1453 PolarHBondContact NE-OE2 2.72Å; R1376-E1453 IonicContact NH2-OE1 3.95Å; R1376-E1453 PolarHBondContact NH2-OE1 2.82Å; R1376-E1453 IonicContact NH2-OE2 3.74Å; F1451-E1453 VanDerWaalsContact C-N 3.29Å; F1451-E1453 PolarHBondContact O-N 3.21Å; E1453-A1455 PolarHBondContact O-N 3.28Å; E1453-A1455 VanDerWaalsContact O-N 3.15Å; E1453-K1456 WeakPolarHBondContact O-CB 3.21Å; E1453-K1456 PolarHBondContact O-N 3.19Å
1454S52.7Low52.9Low39 Ų3983.6 Ų83.627%0.27346%0.459SS..Hα-helixtrans-61.7-25.1176.6-46.70000112.5K1456S1454-K1456 VanDerWaalsContact C-N 3.33Å
1455A48.9Very low50.9Low63 Ų6389.1 Ų89.152%0.52148%0.483SS..Hα-helixtrans-72.2-22.8174.100000113.4E1453E1453-A1455 PolarHBondContact O-N 3.28Å; E1453-A1455 VanDerWaalsContact O-N 3.15Å
1456K42.6Very low48.5Very low136 Ų13694.9 Ų94.959%0.59152%0.522SS*.Hα-helixtrans-79.8-29.8-179.3-67-176.1179-179.70112.7E1453 S1454 C1458 Q1459E1453-K1456 WeakPolarHBondContact O-CB 3.21Å; E1453-K1456 PolarHBondContact O-N 3.19Å; S1454-K1456 VanDerWaalsContact C-N 3.33Å; K1456-C1458 VanDerWaalsContact C-N 3.31Å; K1456-C1458 PolarHBondContact O-N 3.32Å; K1456-Q1459 PolarHBondContact O-N 2.85Å; K1456-Q1459 VanDerWaalsContact O-N 3.1Å
1457D38.9Very low46.2Very low108 Ų10899.8 Ų99.858%0.57856%0.559SS**Hα-helixtrans-70-26.3177.3-76-25.2000112.7Q1459 Q1460D1457-Q1459 PolarHBondContact O-N 3.12Å; D1457-Q1460 PolarHBondContact O-N 2.97Å
1458C38.1Very low44Very low106 Ų106100.5 Ų100.572%0.71657%0.571SS**THydrogen-bonded Turntrans-70-17.6170.5-90.30000113.6K1456K1456-C1458 VanDerWaalsContact C-N 3.31Å; K1456-C1458 PolarHBondContact O-N 3.32Å
1459Q35.6Very low41.8Very low162 Ų162104 Ų10476%0.75759%0.593SS**THydrogen-bonded Turntrans-89.2-6.7177.9-70.4-174.1-19.900113.4K1456 D1457K1456-Q1459 PolarHBondContact O-N 2.85Å; K1456-Q1459 VanDerWaalsContact O-N 3.1Å; D1457-Q1459 PolarHBondContact O-N 3.12Å
1460Q34.6Very low39.8Very low168 Ų168110.5 Ų110.579%0.78562%0.624SS**SBendtrans-108.64.1-177.8-71.2-174.5-200115D1457D1457-Q1460 PolarHBondContact O-N 2.97Å
1461Q31.9Very low37.8Very low186 Ų186115.5 Ų115.587%0.86966%0.657SS**SBendtrans-125.614.5173.6-92.9-175.6-11.800114.9N1463Q1461-N1463 PolarHBondContact O-N 3.21Å
1462A27.9Very low35.7Very low80 Ų80120.6 Ų120.666%0.66169%0.691SS**  trans-82.299.9166.900000109.7
1463N27Very low34.2Very low141 Ų141123.6 Ų123.675%0.75471%0.709SS**  trans-52.1132.6154.4-116.94.2000108.2Q1461 E1465Q1461-N1463 PolarHBondContact O-N 3.21Å; N1463-E1465 PolarHBondContact O-N 3.19Å
1464P29.5Very low33.2Very low125 Ų125125.3 Ų125.381%0.81273%0.734SS**SBendtrans-83.253.9-178.536.5-34.6000110.4
1465E25.5Very low32.1Very low172 Ų172129.2 Ų129.280%0.80476%0.758SS**  trans-142.395.1172.8-72.7-171.4171.900108.3N1463N1463-E1465 PolarHBondContact O-N 3.19Å
1466C25Very low31.3Very low125 Ų125134.5 Ų134.585%0.84578%0.776SS**  trans137.382.5156.5-159.20000110.6
1467S26.7Very low30.7Very low130 Ų130131.7 Ų131.791%0.90978%0.779SS**  trans-142.997164.7-71.50000109.4
1468S30Very low30.3Very low95 Ų95134.1 Ų134.166%0.66479%0.792SS**  trans-143.6113.6152.569.80000104.6
1469M26.8Very low30Very low167 Ų167134.1 Ų134.182%0.82379%0.793SS**SBend-157.6117.874.2-76.7-77.9158.300110
1470L29.6Very low29.7Very low170 Ų170130.4 Ų130.489%0.8979%0.79SS**SBendtrans167.5139.3137.6-87.5153.1000108.5
1471P31.5Very low29.5Very low112 Ų112129.3 Ų129.373%0.72779%0.789SS**PPolyproline II helixtrans-87.4152-153.634.3-34.7000114.3
1472P28.6Very low29.4Very low117 Ų117126.2 Ų126.276%0.7678%0.779SS**PPolyproline II helixtrans-90.1149.2175.635.3-31000112.2
1473P33.4Very low29.4Very low132 Ų132130 Ų13086%0.85778%0.783SS**PPolyproline II helixtrans-78.9141.4163.6-4.122.2000111.1
1474A31.9Very low29.5Very low98 Ų98129 Ų12981%0.8178%0.782SS**PPolyproline II helixtrans-64156.9-168.300000116.9
1475P30.6Very low29.4Very low120 Ų120130.8 Ų130.878%0.77979%0.785SS**PPolyproline II helixtrans-101.8145174.537.4-28.6000113.5
1476L30.9Very low29.6Very low174 Ų174126.5 Ų126.591%0.91179%0.786SS**  trans-135100.2159.6-78.4163.5000105.9
1477A31.7Very low29.8Very low78 Ų78125.2 Ų125.265%0.64578%0.779SS**  82.9109.18400000114.8
1478N29.8Very low29.9Very low159 Ų159125.4 Ų125.485%0.8577%0.77SS**  trans62.9138.1138.9-68.1-2000118.9
1479S31.7Very low30.1Very low105 Ų105131 Ų13173%0.73478%0.778SS**  cis-165.7135.322.1-900000107.6
1480A30.2Very low30.3Very low84 Ų84130 Ų13069%0.69478%0.781SS**  83.3118.495.900000117.4
1481N29.4Very low30.5Very low145 Ų145125.1 Ų125.178%0.77577%0.772SS**  trans96.4116.3135.5-65.50.1000122.6
1482N30Very low30.6Very low121 Ų121125 Ų12565%0.64777%0.774SS**  86.9110.1124.4-76.323.6000122.4
1483E26.9Very low30.6Very low159 Ų159125.8 Ų125.874%0.74377%0.771SS**  81.8129.9116.8-72.2-175.2157.800122.1
1484T29.3Very low30.4Very low120 Ų120122.7 Ų122.774%0.73676%0.764SS**  trans94.3112.9141.652.90000122
1485N28.1Very low30.2Very low164 Ų164129.7 Ų129.788%0.87777%0.769SS**  50.9128.9129.8-66.9-11.8000121.5
1486G29.7Very low30.3Very low81 Ų81130 Ų13084%0.83577%0.774SS**  trans157.6125.5147.900000115.5
1487S30Very low30.1Very low99 Ų99126.2 Ų126.269%0.69277%0.768SS**  trans-76.5149.8-172.9-134.70000115.7
1488D28.6Very low30Very low133 Ų133129.8 Ų129.871%0.71178%0.776SS**  trans72.4139.7138.4-58.2-36.7000125.8
1489Y34.3Very low29.9Very low213 Ų213130.9 Ų130.984%0.83578%0.776SS**  trans95.597.5153.6-74.7-75.4000121.7
1490V30.6Very low29.9Very low146 Ų146132.2 Ų132.289%0.88578%0.779SS**  trans2.1137.4134.6-169.70000117.6
1491G33.2Very low29.7Very low68 Ų68132.2 Ų132.270%0.70179%0.787SS**  cis178.9170.34.700000113.9
1492S33.3Very low29.4Very low110 Ų110127.9 Ų127.977%0.76978%0.777SS**  trans47.1137.8159.5-920000120.6
1493D29.2Very low29.3Very low132 Ų132129.7 Ų129.771%0.70679%0.786SS**  cis-157.6159.523.5-93.9-31000111.6
1494G29.5Very low29.2Very low68 Ų68128 Ų12870%0.70178%0.782SS**  trans132.698.4143.300000118.7
1495R28.1Very low29.2Very low245 Ų245130.2 Ų130.293%0.92579%0.788SS**  trans67.6104.7144.3-59.5178.6173.5-176.1-2.2118.7
1496S31.9Very low29.3Very low127 Ų127127.6 Ų127.689%0.88878%0.783SS**  -167.5115.5117.2-81.60000109.7
1497A27.5Very low29.4Very low94 Ų94126.9 Ų126.978%0.77778%0.775SS**  trans-83.9116.5162.200000106.9
1498D28.2Very low29.7Very low152 Ų152128.8 Ų128.881%0.81377%0.773SS**  trans173.9140.9140.7-89.5-21.6000109.5
1499H29Very low30.5Very low183 Ų183127 Ų12785%0.84777%0.767SS**  trans93.276.9-179.5-58.8-56.6000118.4
1500V31.5Very low31.4Very low133 Ų133119.7 Ų119.781%0.80674%0.743SS**  trans-133.186.6130.9-175.60000108.1
1501G24.7Very low32.8Very low84 Ų84116.5 Ų116.587%0.86672%0.72SS**  trans-99.8108.9154.900000106.8
1502G24.7Very low34.5Very low53 Ų53115.3 Ų115.355%0.54670%0.696SS.*SBendtrans174.5106.4179.600000110.2
1503D26.2Very low36.4Very low159 Ų159111.4 Ų111.485%0.8567%0.668SS**  trans55.360.9162-65.1-13.2000119.8
1504L26.7Very low39Very low125 Ų125105.3 Ų105.365%0.65464%0.635SS**  trans-105.73.7169.6-90.7158.3000115.5
1505L28.6Very low41.7Very low165 Ų165102.2 Ų102.286%0.86460%0.603SS**SBendtrans-106.67.8-174.6-69.6173.2000116.3
1506S30.8Very low44.6Very low109 Ų10990.6 Ų90.676%0.76256%0.559SS**SBendtrans-108.2-4.6170.569.60000114.5
1507G31.1Very low47.4Very low66 Ų6684.5 Ų84.568%0.6852%0.516SS*.SBendtrans-109.4-8.1-171.300000117.2T1509G1507-T1509 PolarHBondContact O-N 3.3Å
1508E37Very low50.5Low139 Ų13980 Ų8065%0.6548%0.479SS*.THydrogen-bonded Turntrans-85-3.1-169.9-73.3-168.9148.900115.6N1510 L1511E1508-N1510 PolarHBondContact O-N 3.07Å; E1508-L1511 WeakPolarHBondContact O-CD1 3.28Å
1509T43.8Very low53.6Low95 Ų9572.9 Ų72.958%0.58344%0.441SS*.THydrogen-bonded Turntrans-80.1-10.9-168.638.90000116.2Q1332 G1507Q1332-T1509 PolarHBondContact NE2-O 3Å; G1507-T1509 PolarHBondContact O-N 3.3Å
1510N53.8Low56.6Low61 Ų6164.1 Ų64.133%0.32640%0.401SS..  trans-11881.9-172.8-73.1-30.6000111R1448 E1508R1448-N1510 PolarHBondContact NH1-O 2.88Å; R1448-N1510 VanDerWaalsContact NH2-C 3.28Å; R1448-N1510 PolarHBondContact NH2-O 3.48Å; E1508-N1510 PolarHBondContact O-N 3.07Å
1511L60.1Low59.3Low78 Ų7857.8 Ų57.841%0.40836%0.362SS..  trans-86-20.1173.9-72.394.8000114.2E1508 P1623 C1624E1508-L1511 WeakPolarHBondContact O-CD1 3.28Å; L1511-P1623 HydrophobicContact CD2-CB 4.44Å; L1511-C1624 WeakPolarHBondContact CB-SG 2.93Å; L1511-C1624 HydrophobicContact CD2-CB 4.03Å
1512F68.5Low62.3Low44 Ų4454 Ų5419%0.19332%0.322CS..SBendtrans-98.9146.2-173.9-70.1-82.3000114.4R1448 I1616 L1621R1448-F1512 PolarHBondContact NH2-O 2.89Å; F1512-I1616 HydrophobicContact CD1-CD1 3.37Å; F1512-I1616 HydrophobicContact CD1-CG2 4.37Å; F1512-I1616 HydrophobicContact CE1-CD1 3.62Å; F1512-I1616 HydrophobicContact CG-CD1 4.41Å; F1512-L1621 HydrophobicContact CE1-CD2 4.08Å
1513P73.7Confident65Low27 Ų2753.1 Ų53.118%0.17531%0.307CS..PPolyproline II helixtrans-57.1148.2178.525.3-35.5000112.2R1614 C1620P1513-R1614 PolarHBondContact O-NH2 3.2Å; P1513-C1620 HydrophobicContact CG-CB 4.45Å
1514H83.9Confident67.5Low4 Ų446 Ų462%0.01927%0.268CS..PPolyproline II helixtrans-73.1159.416664-85.5000110.3D1335 V1337 A1445 F1446 D1447 F1451D1335-H1514 HydrophobicContact CB-CB 3.85Å; D1335-H1514 CarbonylContact O-C 3.54Å; D1335-H1514 WeakPolarHBondContact O-CA 3.33Å; D1335-H1514 VanDerWaalsContact O-CB 3.28Å; D1335-H1514 WeakPolarHBondContact O-CB 3.44Å; V1337-H1514 WeakPolarHBondContact CG2-CD2 3.46Å; A1445-H1514 PolarHBondContact O-NE2 2.9Å; F1446-H1514 PolarHBondContact O-CE1 3.37Å; F1446-H1514 VanDerWaalsContact O-CE1 3.22Å; D1447-H1514 PolarHBondContact O-CE1 3.1Å; F1451-H1514 HydrophobicContact CE2-CB 3.66Å; F1451-H1514 AromaticContact CE2-CG 3.64Å; F1451-H1514 AromaticContact CE2-ND1 3.89Å; F1451-H1514 HydrophobicContact CZ-CB 3.9Å
1515V86.9Confident69.4Low4 Ų442.3 Ų42.32%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-103.9139.1-178.2-178.40000109.5D1335 V1336 V1337 V1517 C1561 Q1563D1335-V1515 PolarHBondContact O-N 2.86Å; V1336-V1515 WeakPolarHBondContact CA-O 3.26Å; V1337-V1515 PolarHBondContact N-O 3.32Å; V1515-V1517 HydrophobicContact CG1-CG2 4.28Å; V1515-C1561 WeakPolarHBondContact CG1-O 3.46Å; V1515-Q1563 HydrophobicContact CG1-CB 4.15Å; V1515-Q1563 HydrophobicContact CG1-CG 3.68Å
1516V88.4Confident70.7Confident0 Ų038.9 Ų38.90%023%0.227CC..EExtended strand (participates in β ladder)trans-99.3112.6175.6-179.50000109.4V1337 A1445 F1446 C1561 M1562 Q1563V1337-V1516 CarbonylContact O-C 3.55Å; V1337-V1516 VanDerWaalsContact O-CA 3.3Å; V1337-V1516 WeakPolarHBondContact O-CA 3.45Å; A1445-V1516 HydrophobicContact CB-CG2 4.37Å; F1446-V1516 HydrophobicContact CD1-CG2 3.72Å; F1446-V1516 HydrophobicContact CE1-CB 4.07Å; F1446-V1516 HydrophobicContact CE1-CG2 3.56Å; F1446-V1516 HydrophobicContact CZ-CG2 4.26Å; V1516-C1561 PolarHBondContact N-O 3.38Å; V1516-M1562 HydrophobicContact CB-CG 4.28Å; V1516-M1562 CarbonylContact O-C 3.47Å; V1516-M1562 WeakPolarHBondContact O-CA 3.15Å; V1516-Q1563 PolarHBondContact O-N 3.33Å
1517V91.2Very high71.4Confident0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-102.4124.8-179.2-179.50000110.7V1336 V1337 F1338 I1339 V1515 Y1519 Q1563 Q1565 V1609V1336-V1517 HydrophobicContact CG1-CB 4.05Å; V1336-V1517 HydrophobicContact CG1-CG2 3.46Å; V1336-V1517 VanDerWaalsContact CG1-CG2 3.46Å; V1337-V1517 PolarHBondContact O-N 3.1Å; F1338-V1517 WeakPolarHBondContact CA-O 3.1Å; F1338-V1517 HydrophobicContact CB-CB 4.33Å; F1338-V1517 WeakPolarHBondContact CB-O 3.43Å; I1339-V1517 PolarHBondContact N-O 3.18Å; V1515-V1517 HydrophobicContact CG1-CG2 4.28Å; V1517-Y1519 HydrophobicContact CB-CE2 4.22Å; V1517-Y1519 HydrophobicContact CG1-CD1 4.27Å; V1517-Y1519 HydrophobicContact CG1-CD2 4.02Å; V1517-Y1519 HydrophobicContact CG1-CE1 3.92Å; V1517-Y1519 HydrophobicContact CG1-CE2 3.66Å; V1517-Y1519 HydrophobicContact CG1-CG 4.31Å; V1517-Q1563 WeakPolarHBondContact CA-O 3.43Å; V1517-Q1563 HydrophobicContact CG2-CB 3.95Å; V1517-Q1565 HydrophobicContact CG1-CB 4.4Å; V1517-V1609 HydrophobicContact CG2-CG1 3.93Å
1518I91.9Very high72Confident0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-96113171.2-52.1-75.1000108.1V1341 L1434 I1438 L1520 Y1547 I1550 M1562 Q1563 L1564 Q1565V1341-I1518 HydrophobicContact CG2-CG2 4.48Å; L1434-I1518 HydrophobicContact CD2-CD1 4.26Å; L1434-I1518 HydrophobicContact CD2-CG2 4.29Å; I1438-I1518 HydrophobicContact CD1-CD1 3.58Å; I1518-L1520 HydrophobicContact CG2-CD2 4.25Å; I1518-L1520 HydrophobicContact CG2-CG 4.3Å; I1518-Y1547 HydrophobicContact CG1-CD2 4.5Å; I1518-Y1547 HydrophobicContact CG1-CE2 4.23Å; I1518-I1550 HydrophobicContact CG2-CD1 4.28Å; I1518-M1562 HydrophobicContact CG1-CE 4.13Å; I1518-Q1563 PolarHBondContact N-O 2.91Å; I1518-L1564 HydrophobicContact CB-CD1 4.34Å; I1518-L1564 HydrophobicContact CG2-CD1 4.35Å; I1518-Q1565 PolarHBondContact O-N 2.92Å
1519Y92.9Very high72.4Confident1 Ų141.3 Ų41.30%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-91.5111171.5-66.3-78.5000110F1338 I1339 A1340 V1341 F1356 L1359 H1371 V1517 Q1565 I1567 V1609F1338-Y1519 HydrophobicContact CB-CD2 3.76Å; F1338-Y1519 HydrophobicContact CB-CE2 3.51Å; F1338-Y1519 AromaticContact CD2-CD2 3.85Å; F1338-Y1519 HydrophobicContact CD2-CD2 3.85Å; F1338-Y1519 HydrophobicContact CD2-CE2 4.04Å; F1338-Y1519 HydrophobicContact CG-CD2 4.02Å; F1338-Y1519 AromaticContact CG-CE2 3.79Å; F1338-Y1519 HydrophobicContact CG-CE2 3.79Å; I1339-Y1519 PolarHBondContact O-N 2.97Å; A1340-Y1519 CarbonylContact C-O 3.5Å; A1340-Y1519 WeakPolarHBondContact CA-O 3.25Å; V1341-Y1519 PolarHBondContact N-O 2.81Å; F1356-Y1519 HydrophobicContact CD1-CD2 4.2Å; F1356-Y1519 HydrophobicContact CD1-CE2 4.34Å; F1356-Y1519 AromaticContact CE1-CD1 3.94Å; F1356-Y1519 HydrophobicContact CE1-CD1 3.94Å; F1356-Y1519 AromaticContact CE1-CD2 3.52Å; F1356-Y1519 HydrophobicContact CE1-CD2 3.52Å; F1356-Y1519 HydrophobicContact CE1-CE1 4.37Å; F1356-Y1519 AromaticContact CE1-CE2 3.98Å; F1356-Y1519 HydrophobicContact CE1-CE2 3.98Å; F1356-Y1519 AromaticContact CE1-CG 3.49Å; F1356-Y1519 HydrophobicContact CE1-CG 3.49Å; F1356-Y1519 VanDerWaalsContact CE1-CG 3.49Å; F1356-Y1519 HydrophobicContact CZ-CD2 4.24Å; F1356-Y1519 AromaticContact CZ-CG 3.94Å; F1356-Y1519 HydrophobicContact CZ-CG 3.94Å; L1359-Y1519 HydrophobicContact CD2-CE1 4.21Å; H1371-Y1519 AromaticContact NE2-CE2 3.59Å; H1371-Y1519 AromaticContact NE2-CZ 3.65Å; H1371-Y1519 PolarHBondContact NE2-OH 2.75Å; V1517-Y1519 HydrophobicContact CB-CE2 4.22Å; V1517-Y1519 HydrophobicContact CG1-CD1 4.27Å; V1517-Y1519 HydrophobicContact CG1-CD2 4.02Å; V1517-Y1519 HydrophobicContact CG1-CE1 3.92Å; V1517-Y1519 HydrophobicContact CG1-CE2 3.66Å; V1517-Y1519 HydrophobicContact CG1-CG 4.31Å; Y1519-Q1565 CarbonylContact C-O 3.59Å; Y1519-Q1565 VanDerWaalsContact CA-O 3.31Å; Y1519-Q1565 WeakPolarHBondContact CA-O 3.42Å; Y1519-Q1565 HydrophobicContact CD1-CB 3.56Å; Y1519-Q1565 HydrophobicContact CD1-CG 3.84Å; Y1519-Q1565 HydrophobicContact CE1-CB 3.74Å; Y1519-Q1565 HydrophobicContact CE1-CG 3.81Å; Y1519-I1567 HydrophobicContact CD1-CD1 3.47Å; Y1519-I1567 VanDerWaalsContact CD1-CD1 3.47Å; Y1519-I1567 HydrophobicContact CD1-CG1 4.18Å; Y1519-I1567 HydrophobicContact CE1-CD1 4.07Å; Y1519-I1567 HydrophobicContact CG-CD1 4.23Å; Y1519-V1609 HydrophobicContact CE1-CG2 4.15Å; Y1519-V1609 WeakPolarHBondContact OH-CG2 3.49Å
1520L91.9Very high72.4Confident0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-94.4109.6172.2-70.6-177000109.5V1341 I1518 N1522 L1543 L1564 Q1565 I1566 I1567V1341-L1520 HydrophobicContact CB-CD2 3.59Å; V1341-L1520 HydrophobicContact CG1-CD2 4.09Å; V1341-L1520 HydrophobicContact CG2-CD2 3.62Å; I1518-L1520 HydrophobicContact CG2-CD2 4.25Å; I1518-L1520 HydrophobicContact CG2-CG 4.3Å; L1520-N1522 PolarHBondContact O-N 3.48Å; L1520-L1543 HydrophobicContact CD1-CB 4.32Å; L1520-L1543 HydrophobicContact CD1-CD2 4.48Å; L1520-L1543 WeakPolarHBondContact CD1-O 3.15Å; L1520-L1564 HydrophobicContact CB-CD1 4.37Å; L1520-L1564 HydrophobicContact CD1-CD1 3.68Å; L1520-L1564 HydrophobicContact CG-CD1 3.73Å; L1520-Q1565 PolarHBondContact N-O 3.16Å; L1520-I1566 HydrophobicContact CB-CG1 4.48Å; L1520-I1566 WeakPolarHBondContact O-CA 3.07Å; L1520-I1567 PolarHBondContact O-N 3.44Å
1521V88.8Confident71.9Confident0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-75.6122.8172.8179.20000108.7V1341 V1342 P1523 I1567 L1569 L1572V1341-V1521 WeakPolarHBondContact O-CB 3.49Å; V1341-V1521 PolarHBondContact O-N 2.97Å; V1342-V1521 HydrophobicContact CG2-CG2 3.91Å; V1521-P1523 WeakPolarHBondContact O-CD 3.45Å; V1521-I1567 CarbonylContact C-O 3.5Å; V1521-I1567 VanDerWaalsContact CA-O 3.29Å; V1521-I1567 WeakPolarHBondContact CA-O 3.29Å; V1521-L1569 HydrophobicContact CG1-CB 4.05Å; V1521-L1569 HydrophobicContact CG1-CD1 3.9Å; V1521-L1572 HydrophobicContact CG1-CD1 4.32Å; V1521-L1572 HydrophobicContact CG2-CD1 3.98Å
1522N87.4Confident71.7Confident4 Ų446.4 Ų46.42%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-91105.7178.4177.30.4000110.7L1520 F1524 N1525 L1543 I1566 I1567 L1569L1520-N1522 PolarHBondContact O-N 3.48Å; N1522-F1524 WeakPolarHBondContact OD1-CB 3.05Å; N1522-F1524 VanDerWaalsContact OD1-CD2 3.26Å; N1522-F1524 WeakPolarHBondContact OD1-CD2 3.41Å; N1522-F1524 PolarHBondContact OD1-N 3.04Å; N1522-N1525 PolarHBondContact ND2-ND2 3.44Å; N1522-N1525 PolarHBondContact ND2-OD1 3.12Å; N1522-N1525 PolarHBondContact OD1-OD1 3.13Å; N1522-L1543 HydrophobicContact CB-CD1 3.68Å; N1522-I1566 HydrophobicContact CB-CG2 3.97Å; N1522-I1567 PolarHBondContact N-O 3.48Å; N1522-L1569 VanDerWaalsContact O-CB 3.26Å; N1522-L1569 WeakPolarHBondContact O-CB 3.3Å; N1522-L1569 PolarHBondContact O-N 2.86Å
1523P82.5Confident70.9Confident35 Ų3551.2 Ų51.223%0.22725%0.248CC..  trans-86.7-3.2177.937.2-39.7000114.7P1343 Y1426 V1521 L1569P1343-P1523 HydrophobicContact CG-CB 3.71Å; P1343-P1523 HydrophobicContact CG-CG 4.05Å; Y1426-P1523 HydrophobicContact CE2-CG 4.38Å; V1521-P1523 WeakPolarHBondContact O-CD 3.45Å; P1523-L1569 HydrophobicContact CB-CD2 4.02Å
1524F77Confident70.2Confident9 Ų953 Ų534%0.03926%0.256CS..  trans-89.6-10.6-165.7-53-76.8000113.8H1419 K1422 L1423 Y1426 N1522 F1526 V1539 L1543H1419-F1524 AromaticContact ND1-CD1 3.75Å; K1422-F1524 HydrophobicContact CB-CE1 3.72Å; K1422-F1524 HydrophobicContact CB-CZ 4.17Å; K1422-F1524 HydrophobicContact CD-CE1 4.43Å; L1423-F1524 HydrophobicContact CB-CZ 4.22Å; L1423-F1524 HydrophobicContact CD1-CD2 4.4Å; L1423-F1524 HydrophobicContact CD1-CE2 3.66Å; L1423-F1524 HydrophobicContact CD1-CZ 3.98Å; Y1426-F1524 HydrophobicContact CD2-CZ 4.27Å; Y1426-F1524 HydrophobicContact CE2-CZ 4.32Å; N1522-F1524 WeakPolarHBondContact OD1-CB 3.05Å; N1522-F1524 VanDerWaalsContact OD1-CD2 3.26Å; N1522-F1524 WeakPolarHBondContact OD1-CD2 3.41Å; N1522-F1524 PolarHBondContact OD1-N 3.04Å; F1524-F1526 VanDerWaalsContact C-N 3.35Å; F1524-F1526 PolarHBondContact O-N 3.35Å; F1524-F1526 VanDerWaalsContact O-N 3.17Å; F1524-V1539 HydrophobicContact CB-CB 4.39Å; F1524-V1539 HydrophobicContact CB-CG1 3.79Å; F1524-V1539 HydrophobicContact CB-CG2 3.7Å; F1524-V1539 HydrophobicContact CD2-CG1 3.47Å; F1524-V1539 VanDerWaalsContact CD2-CG1 3.47Å; F1524-V1539 HydrophobicContact CD2-CG2 4.38Å; F1524-V1539 HydrophobicContact CE2-CG1 4.4Å; F1524-V1539 HydrophobicContact CG-CG1 3.95Å; F1524-V1539 HydrophobicContact CG-CG2 4.11Å; F1524-L1543 HydrophobicContact CE2-CD2 4.29Å
1525N66.4Low69.3Low47 Ų4753.6 Ų53.625%0.25126%0.26SS..  trans-93.656.8-169.8-64.316.6000112.5N1522 N1536N1522-N1525 PolarHBondContact ND2-ND2 3.44Å; N1522-N1525 PolarHBondContact ND2-OD1 3.12Å; N1522-N1525 PolarHBondContact OD1-OD1 3.13Å; N1525-N1536 PolarHBondContact ND2-OD1 3.21Å; N1525-N1536 VanDerWaalsContact ND2-OD1 3.07Å; N1525-N1536 PolarHBondContact OD1-OD1 3.08Å; N1525-N1536 VanDerWaalsContact OD1-OD1 3.12Å
1526F56.1Low68.4Low93 Ų9356 Ų5641%0.40827%0.272SS..  trans-120.3170.2-176.8-121.2-129.2000112.1F1524 S1528 Q1570F1524-F1526 VanDerWaalsContact C-N 3.35Å; F1524-F1526 PolarHBondContact O-N 3.35Å; F1524-F1526 VanDerWaalsContact O-N 3.17Å; F1526-S1528 PolarHBondContact O-N 3.48Å; F1526-Q1570 HydrophobicContact CE2-CB 4.41Å
1527E45.6Very low67.3Low192 Ų19263.7 Ų63.790%0.89730%0.301SS*.SBendtrans62.4-1.2164.2-63.8149.8-114.700117.8
1528S43.3Very low66.3Low47 Ų4764.3 Ų64.333%0.32930%0.304SS..  trans-151120.1-172.7-177.60000114.8F1526 K1531 C1532F1526-S1528 PolarHBondContact O-N 3.48Å; S1528-K1531 PolarHBondContact OG-N 2.91Å; S1528-C1532 PolarHBondContact OG-SG 3.46Å; S1528-C1532 VanDerWaalsContact OG-SG 3.36Å
1529E47.3Very low65.5Low126 Ų12664.5 Ų64.559%0.58931%0.306SS*.SBendtrans-101.8-34.6164.6-74.5-167.4106.600113.1S1168S1168-E1529 WeakPolarHBondContact CB-OE1 3.24Å; S1168-E1529 PolarHBondContact OG-OE1 2.87Å
1530E42.7Very low64.7Low157 Ų15765.9 Ų65.973%0.73431%0.314SS*.SBendtrans-63-66.2178-81.8-166114.300112.3
1531K43.8Very low63.9Low159 Ų15966.2 Ų66.269%0.69132%0.316SS*.SBendtrans-98.40.2-148.3-64.9-174.5-178172.90113.7S1528S1528-K1531 PolarHBondContact OG-N 2.91Å
1532C55.1Low63.6Low26 Ų2666.2 Ų66.218%0.17632%0.316CS..  trans-109.520.1-165.1-88.40000115.9S1528 D1534 L1535 N1536S1528-C1532 PolarHBondContact OG-SG 3.46Å; S1528-C1532 VanDerWaalsContact OG-SG 3.36Å; C1532-D1534 VanDerWaalsContact C-N 3.3Å; C1532-D1534 PolarHBondContact O-N 2.86Å; C1532-L1535 HydrophobicContact CB-CB 3.97Å; C1532-L1535 HydrophobicContact CB-CD2 4.33Å; C1532-L1535 PolarHBondContact O-N 3.47Å; C1532-L1535 WeakPolarHBondContact SG-CD2 3.31Å; C1532-N1536 WeakPolarHBondContact O-CB 3.43Å; C1532-N1536 PolarHBondContact O-N 3.13Å; C1532-N1536 PolarHBondContact O-ND2 3.26Å
1533K52.7Low63.6Low144 Ų14466 Ų6663%0.62632%0.315SS*.Hα-helixtrans-59.6-43.5175.6-72.6-174.5-179.2176.90111.8R1537K1533-R1537 WeakPolarHBondContact O-CG 3.44Å; K1533-R1537 PolarHBondContact O-N 3.28Å
1534D57.6Low63.5Low65 Ų6565.4 Ų65.435%0.34831%0.309SS..Hα-helixtrans-71.7-38.9177.3-61.6-35.8000111.5C1532 N1536 R1537 L1538C1532-D1534 VanDerWaalsContact C-N 3.3Å; C1532-D1534 PolarHBondContact O-N 2.86Å; D1534-N1536 PolarHBondContact O-N 3.21Å; D1534-R1537 WeakPolarHBondContact O-CB 3.5Å; D1534-R1537 PolarHBondContact O-N 3.41Å; D1534-L1538 HydrophobicContact CB-CD1 4.47Å; D1534-L1538 WeakPolarHBondContact O-CB 3.38Å; D1534-L1538 WeakPolarHBondContact O-CD1 3.35Å; D1534-L1538 WeakPolarHBondContact O-CG 3.35Å; D1534-L1538 PolarHBondContact O-N 3.28Å
1535L66Low63.9Low17 Ų1766 Ų669%0.08931%0.311CS..Hα-helixtrans-58.1-47.3175-17963.7000112I1415 C1532 R1537 L1538 V1539I1415-L1535 HydrophobicContact CB-CD1 4.09Å; I1415-L1535 HydrophobicContact CG1-CD1 4.06Å; I1415-L1535 HydrophobicContact CG2-CD1 3.72Å; C1532-L1535 HydrophobicContact CB-CB 3.97Å; C1532-L1535 HydrophobicContact CB-CD2 4.33Å; C1532-L1535 PolarHBondContact O-N 3.47Å; C1532-L1535 WeakPolarHBondContact SG-CD2 3.31Å; L1535-R1537 VanDerWaalsContact C-N 3.29Å; L1535-R1537 PolarHBondContact O-N 2.97Å; L1535-L1538 PolarHBondContact O-N 3.3Å; L1535-V1539 HydrophobicContact CD1-CG2 3.9Å; L1535-V1539 HydrophobicContact CG-CG2 4.13Å; L1535-V1539 WeakPolarHBondContact O-CB 3.43Å; L1535-V1539 VanDerWaalsContact O-CG2 3.3Å; L1535-V1539 WeakPolarHBondContact O-CG2 3.33Å; L1535-V1539 PolarHBondContact O-N 3.05Å
1536N67.3Low65Low54 Ų5463.8 Ų63.829%0.28930%0.299SS..Hα-helixtrans-60.1-39.8178.7-84.6-35.3000111.8N1525 C1532 D1534 T1540N1525-N1536 PolarHBondContact ND2-OD1 3.21Å; N1525-N1536 VanDerWaalsContact ND2-OD1 3.07Å; N1525-N1536 PolarHBondContact OD1-OD1 3.08Å; N1525-N1536 VanDerWaalsContact OD1-OD1 3.12Å; C1532-N1536 WeakPolarHBondContact O-CB 3.43Å; C1532-N1536 PolarHBondContact O-N 3.13Å; C1532-N1536 PolarHBondContact O-ND2 3.26Å; D1534-N1536 PolarHBondContact O-N 3.21Å; N1536-T1540 VanDerWaalsContact O-CB 3.24Å; N1536-T1540 WeakPolarHBondContact O-CB 3.13Å; N1536-T1540 PolarHBondContact O-N 3.07Å; N1536-T1540 PolarHBondContact O-OG1 3.22Å
1537R66.1Low66.5Low161 Ų16159.8 Ų59.861%0.60828%0.281SS*.Hα-helixtrans-64.3-47.9175.3-70.5172.1168.4179.6-6.2111.2F1137 K1533 D1534 L1535 T1540 T1541F1137-R1537 HydrophobicContact CE1-CB 4.26Å; F1137-R1537 WeakPolarHBondContact CZ-O 3.42Å; K1533-R1537 WeakPolarHBondContact O-CG 3.44Å; K1533-R1537 PolarHBondContact O-N 3.28Å; D1534-R1537 WeakPolarHBondContact O-CB 3.5Å; D1534-R1537 PolarHBondContact O-N 3.41Å; L1535-R1537 VanDerWaalsContact C-N 3.29Å; L1535-R1537 PolarHBondContact O-N 2.97Å; R1537-T1540 PolarHBondContact O-N 3.39Å; R1537-T1541 PolarHBondContact O-N 3.35Å; R1537-T1541 PolarHBondContact O-OG1 2.98Å
1538L69.8Low68.4Low13 Ų1352.1 Ų52.17%0.06825%0.246CC..Hα-helixtrans-57.2-52.4177.4-76.6155.5000112.4F1137 F1405 L1411 I1415 D1534 L1535 T1541 G1542F1137-L1538 HydrophobicContact CD1-CD2 3.95Å; F1137-L1538 HydrophobicContact CD1-CG 4.41Å; F1137-L1538 HydrophobicContact CD2-CD2 3.67Å; F1137-L1538 HydrophobicContact CE1-CD2 3.81Å; F1137-L1538 HydrophobicContact CE1-CG 3.92Å; F1137-L1538 HydrophobicContact CE2-CD2 3.56Å; F1137-L1538 HydrophobicContact CE2-CG 4.32Å; F1137-L1538 HydrophobicContact CG-CD2 3.88Å; F1137-L1538 HydrophobicContact CZ-CB 4.2Å; F1137-L1538 HydrophobicContact CZ-CD2 3.63Å; F1137-L1538 HydrophobicContact CZ-CG 3.9Å; F1405-L1538 HydrophobicContact CE1-CD2 4.33Å; L1411-L1538 HydrophobicContact CD1-CD1 4.4Å; I1415-L1538 HydrophobicContact CD1-CB 4.05Å; I1415-L1538 HydrophobicContact CD1-CD1 3.72Å; I1415-L1538 HydrophobicContact CD1-CD2 4.05Å; I1415-L1538 HydrophobicContact CD1-CG 4.15Å; I1415-L1538 HydrophobicContact CG1-CB 4.47Å; I1415-L1538 HydrophobicContact CG1-CD1 3.82Å; D1534-L1538 HydrophobicContact CB-CD1 4.47Å; D1534-L1538 WeakPolarHBondContact O-CB 3.38Å; D1534-L1538 WeakPolarHBondContact O-CD1 3.35Å; D1534-L1538 WeakPolarHBondContact O-CG 3.35Å; D1534-L1538 PolarHBondContact O-N 3.28Å; L1535-L1538 PolarHBondContact O-N 3.3Å; L1538-T1541 PolarHBondContact O-N 3.23Å; L1538-G1542 PolarHBondContact O-N 3.4Å
1539V76.2Confident70.5Confident4 Ų450 Ų502%0.02423%0.231CC..Hα-helixtrans-59.1-49.8176.61670000111.3F1524 L1535 T1541 G1542 L1543F1524-V1539 HydrophobicContact CB-CB 4.39Å; F1524-V1539 HydrophobicContact CB-CG1 3.79Å; F1524-V1539 HydrophobicContact CB-CG2 3.7Å; F1524-V1539 HydrophobicContact CD2-CG1 3.47Å; F1524-V1539 VanDerWaalsContact CD2-CG1 3.47Å; F1524-V1539 HydrophobicContact CD2-CG2 4.38Å; F1524-V1539 HydrophobicContact CE2-CG1 4.4Å; F1524-V1539 HydrophobicContact CG-CG1 3.95Å; F1524-V1539 HydrophobicContact CG-CG2 4.11Å; L1535-V1539 HydrophobicContact CD1-CG2 3.9Å; L1535-V1539 HydrophobicContact CG-CG2 4.13Å; L1535-V1539 WeakPolarHBondContact O-CB 3.43Å; L1535-V1539 VanDerWaalsContact O-CG2 3.3Å; L1535-V1539 WeakPolarHBondContact O-CG2 3.33Å; L1535-V1539 PolarHBondContact O-N 3.05Å; V1539-T1541 PolarHBondContact O-N 3.04Å; V1539-G1542 PolarHBondContact O-N 3.21Å; V1539-L1543 HydrophobicContact CG1-CD1 4Å; V1539-L1543 HydrophobicContact CG1-CG 4.35Å; V1539-L1543 WeakPolarHBondContact O-CG 3.28Å; V1539-L1543 PolarHBondContact O-N 3.37Å
1540T75.9Confident72.4Confident31 Ų3144 Ų4419%0.1920%0.203CC..Hα-helixtrans-58.4-41.9-177.7-60.70000110.6N1536 R1537 L1543 F1544 I1566N1536-T1540 VanDerWaalsContact O-CB 3.24Å; N1536-T1540 WeakPolarHBondContact O-CB 3.13Å; N1536-T1540 PolarHBondContact O-N 3.07Å; N1536-T1540 PolarHBondContact O-OG1 3.22Å; R1537-T1540 PolarHBondContact O-N 3.39Å; T1540-L1543 PolarHBondContact O-N 3.13Å; T1540-F1544 HydrophobicContact CG2-CD2 3.77Å; T1540-F1544 HydrophobicContact CG2-CE2 3.51Å; T1540-F1544 WeakPolarHBondContact O-CD2 3.29Å; T1540-F1544 PolarHBondContact O-N 2.95Å; T1540-I1566 HydrophobicContact CG2-CD1 4.44Å
1541T75.2Confident74.4Confident6 Ų637 Ų374%0.03717%0.171CC..Hα-helixtrans-68.5-42.2178.3-560000112.4F1137 I1141 R1537 L1538 V1539 L1543 F1544 R1545F1137-T1541 HydrophobicContact CD2-CG2 4.29Å; F1137-T1541 HydrophobicContact CE2-CG2 3.4Å; F1137-T1541 HydrophobicContact CZ-CG2 3.78Å; F1137-T1541 WeakPolarHBondContact CZ-OG1 3.31Å; I1141-T1541 HydrophobicContact CD1-CG2 4.32Å; I1141-T1541 WeakPolarHBondContact CD1-OG1 3.28Å; I1141-T1541 HydrophobicContact CG1-CG2 3.48Å; I1141-T1541 VanDerWaalsContact CG1-CG2 3.48Å; I1141-T1541 WeakPolarHBondContact CG1-OG1 3.44Å; R1537-T1541 PolarHBondContact O-N 3.35Å; R1537-T1541 PolarHBondContact O-OG1 2.98Å; L1538-T1541 PolarHBondContact O-N 3.23Å; V1539-T1541 PolarHBondContact O-N 3.04Å; T1541-L1543 VanDerWaalsContact C-N 3.31Å; T1541-L1543 PolarHBondContact O-N 2.92Å; T1541-F1544 WeakPolarHBondContact O-CB 3.07Å; T1541-F1544 PolarHBondContact O-N 2.85Å; T1541-R1545 PolarHBondContact O-N 3.48Å
1542G82.2Confident76.2Confident0 Ų034.3 Ų34.30%016%0.161CC..Hα-helixtrans-62.9-39174.800000112.1L1538 V1539 F1544 R1545 C1546L1538-G1542 PolarHBondContact O-N 3.4Å; V1539-G1542 PolarHBondContact O-N 3.21Å; G1542-F1544 VanDerWaalsContact C-N 3.33Å; G1542-F1544 PolarHBondContact O-N 3.34Å; G1542-R1545 PolarHBondContact O-N 3.12Å; G1542-C1546 PolarHBondContact O-N 3.24Å; G1542-C1546 PolarHBondContact O-SG 3.04Å
1543L86.3Confident77.3Confident0 Ų036.6 Ų36.60%017%0.171CC..Hα-helixtrans-62.8-39172.9-70.9175.2000112L1423 Y1426 L1520 N1522 F1524 V1539 T1540 T1541 C1546 Y1547 I1566L1423-L1543 HydrophobicContact CD1-CD2 4Å; L1423-L1543 HydrophobicContact CD1-CG 4.09Å; Y1426-L1543 HydrophobicContact CD1-CD2 4.07Å; L1520-L1543 HydrophobicContact CD1-CB 4.32Å; L1520-L1543 HydrophobicContact CD1-CD2 4.48Å; L1520-L1543 WeakPolarHBondContact CD1-O 3.15Å; N1522-L1543 HydrophobicContact CB-CD1 3.68Å; F1524-L1543 HydrophobicContact CE2-CD2 4.29Å; V1539-L1543 HydrophobicContact CG1-CD1 4Å; V1539-L1543 HydrophobicContact CG1-CG 4.35Å; V1539-L1543 WeakPolarHBondContact O-CG 3.28Å; V1539-L1543 PolarHBondContact O-N 3.37Å; T1540-L1543 PolarHBondContact O-N 3.13Å; T1541-L1543 VanDerWaalsContact C-N 3.31Å; T1541-L1543 PolarHBondContact O-N 2.92Å; L1543-C1546 VanDerWaalsContact O-CB 3.26Å; L1543-C1546 WeakPolarHBondContact O-CB 3.25Å; L1543-C1546 PolarHBondContact O-N 3.11Å; L1543-Y1547 PolarHBondContact O-N 3.15Å; L1543-I1566 HydrophobicContact CB-CD1 4.13Å; L1543-I1566 HydrophobicContact CD1-CG2 3.97Å
1544F81.9Confident78.6Confident23 Ų2329.8 Ų29.810%0.10114%0.142CC..Hα-helixtrans-66.6-39.2172.9-81.9-65.1000113.1L1144 L1154 T1540 T1541 G1542 C1546 Y1547 L1548 L1564 I1566L1144-F1544 HydrophobicContact CD1-CB 3.47Å; L1144-F1544 VanDerWaalsContact CD1-CB 3.47Å; L1144-F1544 HydrophobicContact CD2-CB 3.33Å; L1144-F1544 HydrophobicContact CD2-CD1 4.17Å; L1144-F1544 HydrophobicContact CD2-CD2 3.83Å; L1144-F1544 HydrophobicContact CD2-CG 3.56Å; L1144-F1544 HydrophobicContact CG-CB 3.91Å; L1154-F1544 HydrophobicContact CD1-CE1 3.74Å; L1154-F1544 HydrophobicContact CD1-CZ 3.74Å; L1154-F1544 HydrophobicContact CD2-CZ 4.03Å; L1154-F1544 HydrophobicContact CG-CZ 4.29Å; T1540-F1544 HydrophobicContact CG2-CD2 3.77Å; T1540-F1544 HydrophobicContact CG2-CE2 3.51Å; T1540-F1544 WeakPolarHBondContact O-CD2 3.29Å; T1540-F1544 PolarHBondContact O-N 2.95Å; T1541-F1544 WeakPolarHBondContact O-CB 3.07Å; T1541-F1544 PolarHBondContact O-N 2.85Å; G1542-F1544 VanDerWaalsContact C-N 3.33Å; G1542-F1544 PolarHBondContact O-N 3.34Å; F1544-C1546 VanDerWaalsContact C-N 3.27Å; F1544-C1546 PolarHBondContact O-N 2.79Å; F1544-Y1547 WeakPolarHBondContact O-CA 3.39Å; F1544-Y1547 WeakPolarHBondContact O-CB 3.36Å; F1544-Y1547 PolarHBondContact O-N 3.18Å; F1544-L1548 PolarHBondContact O-N 2.72Å; F1544-L1564 HydrophobicContact CD1-CD2 3.43Å; F1544-L1564 VanDerWaalsContact CD1-CD2 3.43Å; F1544-L1564 HydrophobicContact CE1-CD2 3.57Å; F1544-I1566 HydrophobicContact CD1-CD1 4.47Å; F1544-I1566 HydrophobicContact CD2-CD1 4.26Å; F1544-I1566 HydrophobicContact CE1-CD1 4.27Å; F1544-I1566 HydrophobicContact CE2-CD1 4.02Å; F1544-I1566 HydrophobicContact CG-CD1 4.46Å; F1544-I1566 HydrophobicContact CZ-CD1 4.01Å
1545R84.9Confident79.6Confident22 Ų2229 Ų298%0.08314%0.14CC..Hα-helixtrans-64-33.6171.9-76.6-122.2170.7146.38.6111.5D1140 L1144 D1399 F1402 T1541 G1542 Y1547 L1548 E1549D1140-R1545 VanDerWaalsContact CB-NH2 3.27Å; D1140-R1545 VanDerWaalsContact CG-NH2 3.34Å; D1140-R1545 IonicContact OD1-CZ 3.53Å; D1140-R1545 IonicContact OD1-NH1 2.82Å; D1140-R1545 PolarHBondContact OD1-NH1 3.33Å; D1140-R1545 IonicContact OD1-NH2 2.77Å; D1140-R1545 PolarHBondContact OD1-NH2 2.85Å; L1144-R1545 HydrophobicContact CD1-CG 3.89Å; D1399-R1545 IonicContact OD1-NH1 3.23Å; D1399-R1545 WeakPolarHBondContact OD2-CD 3.48Å; D1399-R1545 IonicContact OD2-CZ 2.68Å; D1399-R1545 IonicContact OD2-NE 3.58Å; D1399-R1545 IonicContact OD2-NH1 2.59Å; D1399-R1545 PolarHBondContact OD2-NH1 2.97Å; F1402-R1545 HydrophobicContact CE2-CB 4Å; F1402-R1545 HydrophobicContact CZ-CB 3.69Å; T1541-R1545 PolarHBondContact O-N 3.48Å; G1542-R1545 PolarHBondContact O-N 3.12Å; R1545-Y1547 PolarHBondContact O-N 3Å; R1545-L1548 PolarHBondContact O-N 3.32Å; R1545-L1548 VanDerWaalsContact O-N 3.1Å; R1545-E1549 WeakPolarHBondContact O-CG 3.13Å; R1545-E1549 PolarHBondContact O-N 3.08Å
1546C89.3Confident79.9Confident0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-56.9-39.1169.3-58.80000111.9A1427 C1430 G1542 L1543 F1544 E1549 I1550A1427-C1546 VanDerWaalsContact CA-SG 3.52Å; A1427-C1546 HydrophobicContact CB-CB 4.48Å; A1427-C1546 PolarHBondContact N-SG 2.85Å; C1430-C1546 HydrophobicContact CB-CB 4.27Å; C1430-C1546 WeakPolarHBondContact CB-O 3.42Å; G1542-C1546 PolarHBondContact O-N 3.24Å; G1542-C1546 PolarHBondContact O-SG 3.04Å; L1543-C1546 VanDerWaalsContact O-CB 3.26Å; L1543-C1546 WeakPolarHBondContact O-CB 3.25Å; L1543-C1546 PolarHBondContact O-N 3.11Å; F1544-C1546 VanDerWaalsContact C-N 3.27Å; F1544-C1546 PolarHBondContact O-N 2.79Å; C1546-E1549 WeakPolarHBondContact O-CB 3.5Å; C1546-E1549 PolarHBondContact O-N 3.14Å; C1546-I1550 PolarHBondContact O-N 2.72Å
1547Y88.1Confident80Confident8 Ų833 Ų333%0.03118%0.184CC..Hα-helixtrans-69.5-39.3174.2178.6-111.1000112.9I1518 L1543 F1544 R1545 E1549 I1550 L1551 M1562 L1564I1518-Y1547 HydrophobicContact CG1-CD2 4.5Å; I1518-Y1547 HydrophobicContact CG1-CE2 4.23Å; L1543-Y1547 PolarHBondContact O-N 3.15Å; F1544-Y1547 WeakPolarHBondContact O-CA 3.39Å; F1544-Y1547 WeakPolarHBondContact O-CB 3.36Å; F1544-Y1547 PolarHBondContact O-N 3.18Å; R1545-Y1547 PolarHBondContact O-N 3Å; Y1547-E1549 VanDerWaalsContact C-N 3.26Å; Y1547-E1549 PolarHBondContact O-N 3.11Å; Y1547-I1550 HydrophobicContact CD2-CD1 4.22Å; Y1547-I1550 WeakPolarHBondContact O-CB 3.2Å; Y1547-I1550 PolarHBondContact O-N 3.29Å; Y1547-L1551 HydrophobicContact CD1-CD1 4.08Å; Y1547-L1551 HydrophobicContact CD1-CG 4.42Å; Y1547-L1551 HydrophobicContact CE1-CD1 3.63Å; Y1547-L1551 HydrophobicContact CE1-CD2 4.32Å; Y1547-L1551 HydrophobicContact CE1-CG 4.07Å; Y1547-L1551 HydrophobicContact CE2-CD2 4.43Å; Y1547-L1551 PolarHBondContact O-N 3.33Å; Y1547-M1562 HydrophobicContact CE2-CE 3.63Å; Y1547-M1562 WeakPolarHBondContact OH-CB 3.4Å; Y1547-L1564 HydrophobicContact CD1-CB 4.23Å; Y1547-L1564 HydrophobicContact CD1-CD2 4Å; Y1547-L1564 HydrophobicContact CD2-CB 3.96Å; Y1547-L1564 HydrophobicContact CD2-CD1 3.96Å; Y1547-L1564 HydrophobicContact CD2-CD2 4.33Å; Y1547-L1564 HydrophobicContact CD2-CG 4.29Å; Y1547-L1564 HydrophobicContact CE1-CB 4.21Å; Y1547-L1564 HydrophobicContact CE2-CB 3.95Å; Y1547-L1564 HydrophobicContact CG-CB 4.1Å; Y1547-L1564 HydrophobicContact CG-CD1 4.17Å; Y1547-L1564 HydrophobicContact CG-CD2 3.76Å; Y1547-L1564 HydrophobicContact CG-CG 4.22Å
1548L85.4Confident80.4Confident31 Ų3128.7 Ų28.716%0.16217%0.169CC..Hα-helixtrans-61.2-36.3174.5-68.2-173.7000112.4L1144 H1147 F1544 R1545 I1550 L1551 Q1552L1144-L1548 HydrophobicContact CD1-CD1 3.42Å; L1144-L1548 VanDerWaalsContact CD1-CD1 3.42Å; L1144-L1548 HydrophobicContact CD1-CG 3.88Å; L1144-L1548 HydrophobicContact CG-CD1 4.25Å; H1147-L1548 HydrophobicContact CB-CD2 4.37Å; F1544-L1548 PolarHBondContact O-N 2.72Å; R1545-L1548 PolarHBondContact O-N 3.32Å; R1545-L1548 VanDerWaalsContact O-N 3.1Å; L1548-I1550 PolarHBondContact O-N 2.78Å; L1548-L1551 HydrophobicContact CD2-CD1 4.18Å; L1548-L1551 PolarHBondContact O-N 2.61Å; L1548-L1551 VanDerWaalsContact O-N 3.14Å; L1548-Q1552 PolarHBondContact O-N 3.35Å
1549E87.8Confident80.7Confident3 Ų332.1 Ų32.11%0.01418%0.181CC..Hα-helixtrans-58.6-36.8173-70.8-60.7119.500112R1431 R1545 C1546 Y1547 Q1552R1431-E1549 HydrophobicContact CB-CB 4.1Å; R1431-E1549 VanDerWaalsContact CD-OE2 3.26Å; R1431-E1549 WeakPolarHBondContact CD-OE2 3.19Å; R1431-E1549 IonicContact CZ-OE2 2.88Å; R1431-E1549 IonicContact NE-OE2 3.74Å; R1431-E1549 IonicContact NH1-OE2 3.77Å; R1431-E1549 PolarHBondContact NH1-OE2 3.49Å; R1545-E1549 WeakPolarHBondContact O-CG 3.13Å; R1545-E1549 PolarHBondContact O-N 3.08Å; C1546-E1549 WeakPolarHBondContact O-CB 3.5Å; C1546-E1549 PolarHBondContact O-N 3.14Å; Y1547-E1549 VanDerWaalsContact C-N 3.26Å; Y1547-E1549 PolarHBondContact O-N 3.11Å; E1549-Q1552 PolarHBondContact OE1-NE2 3.31Å
1550I86.9Confident80.5Confident0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-65.4-43.1175.2-55.7168.8000110.7C1430 L1434 A1435 I1438 I1518 C1546 Y1547 L1548 Q1552 D1553 I1554 M1562C1430-I1550 HydrophobicContact CB-CD1 4.1Å; C1430-I1550 HydrophobicContact CB-CG1 3.74Å; L1434-I1550 HydrophobicContact CD2-CD1 3.53Å; L1434-I1550 HydrophobicContact CD2-CG1 4.28Å; L1434-I1550 HydrophobicContact CG-CD1 4.25Å; A1435-I1550 HydrophobicContact CB-CB 4.47Å; A1435-I1550 HydrophobicContact CB-CG2 4.03Å; I1438-I1550 HydrophobicContact CD1-CG2 3.7Å; I1518-I1550 HydrophobicContact CG2-CD1 4.28Å; C1546-I1550 PolarHBondContact O-N 2.72Å; Y1547-I1550 HydrophobicContact CD2-CD1 4.22Å; Y1547-I1550 WeakPolarHBondContact O-CB 3.2Å; Y1547-I1550 PolarHBondContact O-N 3.29Å; L1548-I1550 PolarHBondContact O-N 2.78Å; I1550-Q1552 PolarHBondContact O-N 3.47Å; I1550-D1553 PolarHBondContact O-N 2.88Å; I1550-I1554 HydrophobicContact CG2-CD1 3.78Å; I1550-M1562 HydrophobicContact CG2-CE 4.02Å
1551L83.5Confident80.6Confident11 Ų1132.3 Ų32.36%0.05819%0.187CC..Hα-helixtrans-68-21.8-175-65.6-178.4000113.7I1151 Y1547 L1548 D1553 I1554 R1559 M1562I1151-L1551 HydrophobicContact CD1-CD1 3.6Å; Y1547-L1551 HydrophobicContact CD1-CD1 4.08Å; Y1547-L1551 HydrophobicContact CD1-CG 4.42Å; Y1547-L1551 HydrophobicContact CE1-CD1 3.63Å; Y1547-L1551 HydrophobicContact CE1-CD2 4.32Å; Y1547-L1551 HydrophobicContact CE1-CG 4.07Å; Y1547-L1551 HydrophobicContact CE2-CD2 4.43Å; Y1547-L1551 PolarHBondContact O-N 3.33Å; L1548-L1551 HydrophobicContact CD2-CD1 4.18Å; L1548-L1551 PolarHBondContact O-N 2.61Å; L1548-L1551 VanDerWaalsContact O-N 3.14Å; L1551-D1553 VanDerWaalsContact C-N 3.31Å; L1551-D1553 PolarHBondContact O-N 2.79Å; L1551-I1554 PolarHBondContact O-N 2.85Å; L1551-R1559 HydrophobicContact CD2-CB 4.49Å; L1551-R1559 HydrophobicContact CD2-CG 4.19Å; L1551-R1559 VanDerWaalsContact O-CZ 3.23Å; L1551-R1559 PolarHBondContact O-NE 3.45Å; L1551-R1559 VanDerWaalsContact O-NE 3.08Å; L1551-R1559 PolarHBondContact O-NH2 3.23Å; L1551-M1562 HydrophobicContact CD2-CE 3.8Å; L1551-M1562 HydrophobicContact CD2-SD 4.03Å
1552Q81.9Confident81.1Confident101 Ų10132 Ų3247%0.47219%0.185SC..Hα-helixtrans-61.6-39.2180-72.3178.634.100112.2L1548 E1549 I1550L1548-Q1552 PolarHBondContact O-N 3.35Å; E1549-Q1552 PolarHBondContact OE1-NE2 3.31Å; I1550-Q1552 PolarHBondContact O-N 3.47Å
1553D78.8Confident81.2Confident74 Ų7432.3 Ų32.340%0.39619%0.187SC..Hα-helixtrans-87.2-9.4-178.1-63.7-29.8000113A1435 I1550 L1551A1435-D1553 HydrophobicContact CB-CB 4.08Å; I1550-D1553 PolarHBondContact O-N 2.88Å; L1551-D1553 VanDerWaalsContact C-N 3.31Å; L1551-D1553 PolarHBondContact O-N 2.79Å
1554I79.8Confident81.4Confident1 Ų133.2 Ų33.21%0.00519%0.192CC..SBendtrans-96.1130.1-177.5-62.9179.9000110.7I1438 I1550 L1551 F1558 R1559 M1562I1438-I1554 HydrophobicContact CB-CD1 4.3Å; I1438-I1554 HydrophobicContact CD1-CD1 4.44Å; I1438-I1554 HydrophobicContact CG2-CD1 3.74Å; I1550-I1554 HydrophobicContact CG2-CD1 3.78Å; L1551-I1554 PolarHBondContact O-N 2.85Å; I1554-F1558 HydrophobicContact CG2-CB 4.23Å; I1554-R1559 HydrophobicContact CG2-CG 4.22Å; I1554-R1559 PolarHBondContact O-NE 2.86Å; I1554-R1559 PolarHBondContact O-NH2 3.42Å; I1554-M1562 HydrophobicContact CD1-CE 3.87Å; I1554-M1562 HydrophobicContact CD1-SD 3.21Å; I1554-M1562 WeakPolarHBondContact CD1-SD 3.24Å; I1554-M1562 HydrophobicContact CG1-SD 4.48Å; I1554-M1562 HydrophobicContact CG2-SD 4.25Å
1555P78.9Confident81.7Confident48 Ų4832.2 Ų32.231%0.31219%0.187SC..  trans-59.6141.9178-23.532.6000113.1F1439 A1557 F1558F1439-P1555 HydrophobicContact CD1-CG 4.42Å; F1439-P1555 HydrophobicContact CD2-CG 4.37Å; F1439-P1555 HydrophobicContact CE1-CG 3.8Å; F1439-P1555 HydrophobicContact CE2-CG 3.74Å; F1439-P1555 HydrophobicContact CZ-CG 3.43Å; F1439-P1555 VanDerWaalsContact CZ-CG 3.43Å; P1555-A1557 PolarHBondContact O-N 2.81Å; P1555-F1558 HydrophobicContact CB-CD2 4.21Å; P1555-F1558 HydrophobicContact CG-CD2 4.35Å; P1555-F1558 PolarHBondContact O-N 3.32Å
1556A70.8Confident81.8Confident74 Ų7432.7 Ų32.761%0.61219%0.191SC*.Hα-helixtrans-54.5-30.3-176.400000114.2F1558 R1559A1556-F1558 VanDerWaalsContact C-N 3.28Å; A1556-F1558 PolarHBondContact O-N 3.12Å; A1556-R1559 PolarHBondContact O-N 3.12Å
1557A70.2Confident81.6Confident83 Ų8332.9 Ų32.969%0.68619%0.192SC*.Hα-helixtrans-63.6-28178.700000114P1555P1555-A1557 PolarHBondContact O-N 2.81Å
1558F74.3Confident81.4Confident70 Ų7034.7 Ų34.731%0.30720%0.204SC..Hα-helixtrans-100.8-14.2-177.7-63.7-69.7000113.7F1439 F1446 I1554 P1555 A1556 G1560 C1561F1439-F1558 AromaticContact CE2-CD2 3.89Å; F1439-F1558 HydrophobicContact CE2-CD2 3.89Å; F1439-F1558 AromaticContact CE2-CE2 3.91Å; F1439-F1558 HydrophobicContact CE2-CE2 3.91Å; F1446-F1558 HydrophobicContact CB-CD1 4.14Å; F1446-F1558 HydrophobicContact CB-CE1 4.33Å; F1446-F1558 HydrophobicContact CD1-CB 4.48Å; F1446-F1558 HydrophobicContact CD1-CD1 4.34Å; F1446-F1558 HydrophobicContact CD2-CB 4.06Å; F1446-F1558 HydrophobicContact CD2-CD1 4.05Å; F1446-F1558 HydrophobicContact CD2-CG 4.03Å; F1446-F1558 HydrophobicContact CE1-CB 4.21Å; F1446-F1558 HydrophobicContact CE2-CB 3.8Å; F1446-F1558 HydrophobicContact CE2-CG 4.24Å; F1446-F1558 HydrophobicContact CG-CB 4.42Å; F1446-F1558 AromaticContact CG-CD1 3.91Å; F1446-F1558 HydrophobicContact CG-CD1 3.91Å; F1446-F1558 HydrophobicContact CG-CG 4.33Å; F1446-F1558 HydrophobicContact CZ-CB 3.88Å; I1554-F1558 HydrophobicContact CG2-CB 4.23Å; P1555-F1558 HydrophobicContact CB-CD2 4.21Å; P1555-F1558 HydrophobicContact CG-CD2 4.35Å; P1555-F1558 PolarHBondContact O-N 3.32Å; A1556-F1558 VanDerWaalsContact C-N 3.28Å; A1556-F1558 PolarHBondContact O-N 3.12Å; F1558-G1560 PolarHBondContact O-N 3.45Å; F1558-G1560 VanDerWaalsContact O-N 3.13Å; F1558-C1561 PolarHBondContact O-N 2.89Å
1559R77.4Confident81.3Confident85 Ų8534.2 Ų34.232%0.32120%0.202SC..Hα-helixtrans-58.8-28.7-179.3-63.8-176.5-173.5165.3-3112.7L1551 I1554 A1556 C1561 M1562L1551-R1559 HydrophobicContact CD2-CB 4.49Å; L1551-R1559 HydrophobicContact CD2-CG 4.19Å; L1551-R1559 VanDerWaalsContact O-CZ 3.23Å; L1551-R1559 PolarHBondContact O-NE 3.45Å; L1551-R1559 VanDerWaalsContact O-NE 3.08Å; L1551-R1559 PolarHBondContact O-NH2 3.23Å; I1554-R1559 HydrophobicContact CG2-CG 4.22Å; I1554-R1559 PolarHBondContact O-NE 2.86Å; I1554-R1559 PolarHBondContact O-NH2 3.42Å; A1556-R1559 PolarHBondContact O-N 3.12Å; R1559-C1561 PolarHBondContact O-N 2.9Å; R1559-M1562 PolarHBondContact O-N 3.34Å
1560G71.2Confident80.8Confident21 Ų2137.9 Ų37.922%0.21622%0.219CC..THydrogen-bonded Turntrans-70.8-14.3176.500000115.3F1558 S1615F1558-G1560 PolarHBondContact O-N 3.45Å; F1558-G1560 VanDerWaalsContact O-N 3.13Å; G1560-S1615 WeakPolarHBondContact O-CB 3.18Å; G1560-S1615 PolarHBondContact O-N 3.18Å
1561C78.4Confident80.4Confident17 Ų1739.2 Ų39.212%0.11523%0.229CC..THydrogen-bonded Turntrans-100.56.9176.1-55.50000112.4F1446 V1515 V1516 F1558 R1559F1446-C1561 HydrophobicContact CD1-CB 4.19Å; F1446-C1561 HydrophobicContact CE1-CB 4.05Å; V1515-C1561 WeakPolarHBondContact CG1-O 3.46Å; V1516-C1561 PolarHBondContact N-O 3.38Å; F1558-C1561 PolarHBondContact O-N 2.89Å; R1559-C1561 PolarHBondContact O-N 2.9Å
1562M84.4Confident80.3Confident1 Ų138.8 Ų38.81%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-105.1141.9177.1-79.2-176.75500112.2F1446 V1516 I1518 Y1547 I1550 L1551 I1554 R1559F1446-M1562 HydrophobicContact CE1-CG 3.95Å; F1446-M1562 HydrophobicContact CZ-CG 3.71Å; F1446-M1562 HydrophobicContact CZ-SD 4.01Å; V1516-M1562 HydrophobicContact CB-CG 4.28Å; V1516-M1562 CarbonylContact O-C 3.47Å; V1516-M1562 WeakPolarHBondContact O-CA 3.15Å; I1518-M1562 HydrophobicContact CG1-CE 4.13Å; Y1547-M1562 HydrophobicContact CE2-CE 3.63Å; Y1547-M1562 WeakPolarHBondContact OH-CB 3.4Å; I1550-M1562 HydrophobicContact CG2-CE 4.02Å; L1551-M1562 HydrophobicContact CD2-CE 3.8Å; L1551-M1562 HydrophobicContact CD2-SD 4.03Å; I1554-M1562 HydrophobicContact CD1-CE 3.87Å; I1554-M1562 HydrophobicContact CD1-SD 3.21Å; I1554-M1562 WeakPolarHBondContact CD1-SD 3.24Å; I1554-M1562 HydrophobicContact CG1-SD 4.48Å; I1554-M1562 HydrophobicContact CG2-SD 4.25Å; R1559-M1562 PolarHBondContact O-N 3.34Å
1563Q86.3Confident80.1Confident6 Ų635.3 Ų35.33%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-131.7147.3-179.7-78.2-178.8-500110.5V1515 V1516 V1517 I1518 V1609 Q1612V1515-Q1563 HydrophobicContact CG1-CB 4.15Å; V1515-Q1563 HydrophobicContact CG1-CG 3.68Å; V1516-Q1563 PolarHBondContact O-N 3.33Å; V1517-Q1563 WeakPolarHBondContact CA-O 3.43Å; V1517-Q1563 HydrophobicContact CG2-CB 3.95Å; I1518-Q1563 PolarHBondContact N-O 2.91Å; Q1563-V1609 PolarHBondContact OE1-O 3Å; Q1563-Q1612 HydrophobicContact CG-CB 4.25Å
1564L88.8Confident79.7Confident19 Ų1934.9 Ų34.910%0.09921%0.209CC..EExtended strand (participates in β ladder)trans-116.7133.5176.4174.569000109.4I1518 L1520 F1544 Y1547 I1566I1518-L1564 HydrophobicContact CB-CD1 4.34Å; I1518-L1564 HydrophobicContact CG2-CD1 4.35Å; L1520-L1564 HydrophobicContact CB-CD1 4.37Å; L1520-L1564 HydrophobicContact CD1-CD1 3.68Å; L1520-L1564 HydrophobicContact CG-CD1 3.73Å; F1544-L1564 HydrophobicContact CD1-CD2 3.43Å; F1544-L1564 VanDerWaalsContact CD1-CD2 3.43Å; F1544-L1564 HydrophobicContact CE1-CD2 3.57Å; Y1547-L1564 HydrophobicContact CD1-CB 4.23Å; Y1547-L1564 HydrophobicContact CD1-CD2 4Å; Y1547-L1564 HydrophobicContact CD2-CB 3.96Å; Y1547-L1564 HydrophobicContact CD2-CD1 3.96Å; Y1547-L1564 HydrophobicContact CD2-CD2 4.33Å; Y1547-L1564 HydrophobicContact CD2-CG 4.29Å; Y1547-L1564 HydrophobicContact CE1-CB 4.21Å; Y1547-L1564 HydrophobicContact CE2-CB 3.95Å; Y1547-L1564 HydrophobicContact CG-CB 4.1Å; Y1547-L1564 HydrophobicContact CG-CD1 4.17Å; Y1547-L1564 HydrophobicContact CG-CD2 3.76Å; Y1547-L1564 HydrophobicContact CG-CG 4.22Å; L1564-I1566 HydrophobicContact CD2-CG1 4.4Å; L1564-I1566 HydrophobicContact CG-CG1 4.42Å
1565Q88.9Confident78.7Confident2 Ų236.3 Ų36.31%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-130.6120.7170.8-171.668.732.900109.9V1517 I1518 Y1519 L1520 I1567 L1605 Q1612V1517-Q1565 HydrophobicContact CG1-CB 4.4Å; I1518-Q1565 PolarHBondContact O-N 2.92Å; Y1519-Q1565 CarbonylContact C-O 3.59Å; Y1519-Q1565 VanDerWaalsContact CA-O 3.31Å; Y1519-Q1565 WeakPolarHBondContact CA-O 3.42Å; Y1519-Q1565 HydrophobicContact CD1-CB 3.56Å; Y1519-Q1565 HydrophobicContact CD1-CG 3.84Å; Y1519-Q1565 HydrophobicContact CE1-CB 3.74Å; Y1519-Q1565 HydrophobicContact CE1-CG 3.81Å; L1520-Q1565 PolarHBondContact N-O 3.16Å; Q1565-I1567 HydrophobicContact CG-CG1 4.23Å; Q1565-L1605 HydrophobicContact CG-CD1 3.92Å; Q1565-Q1612 VanDerWaalsContact OE1-NE2 3.14Å
1566I86.8Confident77.2Confident31 Ų3134.6 Ų34.616%0.15921%0.206CC..EExtended strand (participates in β ladder)trans-93.1123.6175.6-57.8175.4000108.3L1520 N1522 T1540 L1543 F1544 L1564L1520-I1566 HydrophobicContact CB-CG1 4.48Å; L1520-I1566 WeakPolarHBondContact O-CA 3.07Å; N1522-I1566 HydrophobicContact CB-CG2 3.97Å; T1540-I1566 HydrophobicContact CG2-CD1 4.44Å; L1543-I1566 HydrophobicContact CB-CD1 4.13Å; L1543-I1566 HydrophobicContact CD1-CG2 3.97Å; F1544-I1566 HydrophobicContact CD1-CD1 4.47Å; F1544-I1566 HydrophobicContact CD2-CD1 4.26Å; F1544-I1566 HydrophobicContact CE1-CD1 4.27Å; F1544-I1566 HydrophobicContact CE2-CD1 4.02Å; F1544-I1566 HydrophobicContact CG-CD1 4.46Å; F1544-I1566 HydrophobicContact CZ-CD1 4.01Å; L1564-I1566 HydrophobicContact CD2-CG1 4.4Å; L1564-I1566 HydrophobicContact CG-CG1 4.42Å
1567I85.5Confident75.9Confident5 Ų535.4 Ų35.43%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-115.4120.9-179.7-59.6178.5000108.6F1355 F1356 Y1519 L1520 V1521 N1522 Q1565 L1569 L1605F1355-I1567 HydrophobicContact CE1-CD1 3.9Å; F1355-I1567 HydrophobicContact CZ-CD1 4.38Å; F1355-I1567 HydrophobicContact CZ-CG2 4.43Å; F1356-I1567 HydrophobicContact CE1-CD1 4.07Å; F1356-I1567 HydrophobicContact CZ-CD1 4.11Å; Y1519-I1567 HydrophobicContact CD1-CD1 3.47Å; Y1519-I1567 VanDerWaalsContact CD1-CD1 3.47Å; Y1519-I1567 HydrophobicContact CD1-CG1 4.18Å; Y1519-I1567 HydrophobicContact CE1-CD1 4.07Å; Y1519-I1567 HydrophobicContact CG-CD1 4.23Å; L1520-I1567 PolarHBondContact O-N 3.44Å; V1521-I1567 CarbonylContact C-O 3.5Å; V1521-I1567 VanDerWaalsContact CA-O 3.29Å; V1521-I1567 WeakPolarHBondContact CA-O 3.29Å; N1522-I1567 PolarHBondContact N-O 3.48Å; Q1565-I1567 HydrophobicContact CG-CG1 4.23Å; I1567-L1569 PolarHBondContact O-N 3.33Å; I1567-L1605 HydrophobicContact CD1-CD2 4.02Å
1568P83.9Confident74.6Confident45 Ų4534 Ų3429%0.29218%0.18SC..EExtended strand (participates in β ladder)trans-64.9136.917526.8-31.2000110.1Q1570 S1571P1568-Q1570 PolarHBondContact O-N 3.35Å; P1568-Q1570 VanDerWaalsContact O-N 3.11Å; P1568-S1571 WeakPolarHBondContact CG-OG 3.45Å; P1568-S1571 WeakPolarHBondContact O-CB 3.27Å; P1568-S1571 PolarHBondContact O-N 3.09Å
1569L82.4Confident73Confident22 Ų2236.2 Ų36.212%0.11520%0.195CC..Hα-helixtrans-55.9-32.4179.9178.162.5000111.7V1348 V1521 N1522 P1523 I1567 S1571 L1572 L1573V1348-L1569 HydrophobicContact CG1-CD1 3.6Å; V1348-L1569 HydrophobicContact CG2-CD1 4.37Å; V1521-L1569 HydrophobicContact CG1-CB 4.05Å; V1521-L1569 HydrophobicContact CG1-CD1 3.9Å; N1522-L1569 VanDerWaalsContact O-CB 3.26Å; N1522-L1569 WeakPolarHBondContact O-CB 3.3Å; N1522-L1569 PolarHBondContact O-N 2.86Å; P1523-L1569 HydrophobicContact CB-CD2 4.02Å; I1567-L1569 PolarHBondContact O-N 3.33Å; L1569-S1571 VanDerWaalsContact C-N 3.33Å; L1569-S1571 PolarHBondContact O-N 3.47Å; L1569-L1572 HydrophobicContact CD1-CD2 4.35Å; L1569-L1572 WeakPolarHBondContact O-CB 3.42Å; L1569-L1572 PolarHBondContact O-N 2.85Å; L1569-L1572 VanDerWaalsContact O-N 3.08Å; L1569-L1573 HydrophobicContact CD1-CD1 4.28Å; L1569-L1573 HydrophobicContact CD1-CG 4.14Å; L1569-L1573 HydrophobicContact CD2-CD1 4.28Å; L1569-L1573 HydrophobicContact CG-CD1 3.85Å; L1569-L1573 HydrophobicContact CG-CG 4.14Å; L1569-L1573 WeakPolarHBondContact O-CG 3.34Å; L1569-L1573 PolarHBondContact O-N 3.31Å
1570Q78Confident71.1Confident79 Ų7937.5 Ų37.537%0.36921%0.205SC..Hα-helixtrans-57.9-41.6175.3-170.2172.15.100112.9F1526 P1568 L1572 L1573 D1574F1526-Q1570 HydrophobicContact CE2-CB 4.41Å; P1568-Q1570 PolarHBondContact O-N 3.35Å; P1568-Q1570 VanDerWaalsContact O-N 3.11Å; Q1570-L1572 PolarHBondContact O-N 3.31Å; Q1570-L1573 PolarHBondContact O-N 3.24Å; Q1570-L1573 VanDerWaalsContact O-N 3.11Å; Q1570-D1574 HydrophobicContact CG-CB 4.39Å; Q1570-D1574 VanDerWaalsContact CG-CG 3.42Å; Q1570-D1574 WeakPolarHBondContact CG-OD1 3.38Å; Q1570-D1574 WeakPolarHBondContact CG-OD2 3.49Å; Q1570-D1574 PolarHBondContact NE2-OD2 3.33Å; Q1570-D1574 WeakPolarHBondContact O-CB 3.35Å; Q1570-D1574 PolarHBondContact O-N 2.98Å
1571S79.1Confident69.6Low29 Ų2945 Ų4520%0.20323%0.227CC..Hα-helixtrans-63.3-31.3176.3-68.60000112.4P1568 L1569 M1575P1568-S1571 WeakPolarHBondContact CG-OG 3.45Å; P1568-S1571 WeakPolarHBondContact O-CB 3.27Å; P1568-S1571 PolarHBondContact O-N 3.09Å; L1569-S1571 VanDerWaalsContact C-N 3.33Å; L1569-S1571 PolarHBondContact O-N 3.47Å; S1571-M1575 WeakPolarHBondContact O-CG 3.12Å
1572L81.1Confident67.7Low2 Ų252.5 Ų52.51%0.0126%0.26CS..Hα-helixtrans-74.9-30.6176.5-170.8154.4000111.8V1348 K1351 A1352 F1355 V1521 L1569 Q1570V1348-L1572 HydrophobicContact CG1-CD2 4.36Å; K1351-L1572 HydrophobicContact CB-CD2 3.72Å; A1352-L1572 HydrophobicContact CB-CD1 3.75Å; A1352-L1572 HydrophobicContact CB-CD2 4.28Å; A1352-L1572 HydrophobicContact CB-CG 4.43Å; F1355-L1572 HydrophobicContact CB-CG 4.3Å; F1355-L1572 HydrophobicContact CG-CG 4.42Å; V1521-L1572 HydrophobicContact CG1-CD1 4.32Å; V1521-L1572 HydrophobicContact CG2-CD1 3.98Å; L1569-L1572 HydrophobicContact CD1-CD2 4.35Å; L1569-L1572 WeakPolarHBondContact O-CB 3.42Å; L1569-L1572 PolarHBondContact O-N 2.85Å; L1569-L1572 VanDerWaalsContact O-N 3.08Å; Q1570-L1572 PolarHBondContact O-N 3.31Å
1573L77.8Confident65.1Low27 Ų2756.1 Ų56.114%0.14130%0.297CS..Hα-helixtrans-91.7-53.9-176.1-65.9-179.7000114.3Y1347 L1569 Q1570 M1575 A1576Y1347-L1573 HydrophobicContact CD1-CD2 4.37Å; Y1347-L1573 HydrophobicContact CE1-CD2 3.87Å; L1569-L1573 HydrophobicContact CD1-CD1 4.28Å; L1569-L1573 HydrophobicContact CD1-CG 4.14Å; L1569-L1573 HydrophobicContact CD2-CD1 4.28Å; L1569-L1573 HydrophobicContact CG-CD1 3.85Å; L1569-L1573 HydrophobicContact CG-CG 4.14Å; L1569-L1573 WeakPolarHBondContact O-CG 3.34Å; L1569-L1573 PolarHBondContact O-N 3.31Å; Q1570-L1573 PolarHBondContact O-N 3.24Å; Q1570-L1573 VanDerWaalsContact O-N 3.11Å; L1573-M1575 PolarHBondContact O-N 3.37Å; L1573-M1575 VanDerWaalsContact O-N 3.17Å; L1573-A1576 PolarHBondContact O-N 3.17Å
1574D69.6Low62.5Low66 Ų6657.6 Ų57.635%0.35331%0.314SS..Hα-helixtrans-62.5-27.6-171.5-73.922.5000111.7Q1570Q1570-D1574 HydrophobicContact CG-CB 4.39Å; Q1570-D1574 VanDerWaalsContact CG-CG 3.42Å; Q1570-D1574 WeakPolarHBondContact CG-OD1 3.38Å; Q1570-D1574 WeakPolarHBondContact CG-OD2 3.49Å; Q1570-D1574 PolarHBondContact NE2-OD2 3.33Å; Q1570-D1574 WeakPolarHBondContact O-CB 3.35Å; Q1570-D1574 PolarHBondContact O-N 2.98Å
1575M58.7Low59.7Low30 Ų3063.3 Ų63.315%0.14835%0.35CS..G310 helixtrans-65.8-43172.2-64.2-82.8-78.600111.9S1571 L1573 L1577 L1578 S1598 H1601 F1602S1571-M1575 WeakPolarHBondContact O-CG 3.12Å; L1573-M1575 PolarHBondContact O-N 3.37Å; L1573-M1575 VanDerWaalsContact O-N 3.17Å; M1575-L1577 PolarHBondContact O-N 3.01Å; M1575-L1578 WeakPolarHBondContact O-CB 2.89Å; M1575-L1578 PolarHBondContact O-N 3.48Å; M1575-L1578 VanDerWaalsContact O-N 3.08Å; M1575-S1598 WeakPolarHBondContact CE-O 3.25Å; M1575-S1598 WeakPolarHBondContact CE-OG 3.38Å; M1575-H1601 HydrophobicContact CE-CB 4.13Å; M1575-H1601 HydrophobicContact SD-CB 4.37Å; M1575-F1602 HydrophobicContact CE-CD2 3.72Å; M1575-F1602 HydrophobicContact CE-CE2 3.31Å; M1575-F1602 HydrophobicContact CE-CZ 3.87Å
1576A47.4Very low57Low13 Ų1370.8 Ų70.811%0.10739%0.39CS..G310 helixtrans-79.1-0.1-175.200000114.8K1351 L1573 L1578K1351-A1576 HydrophobicContact CD-CB 3.43Å; K1351-A1576 VanDerWaalsContact CD-CB 3.43Å; K1351-A1576 HydrophobicContact CG-CB 4.25Å; K1351-A1576 PolarHBondContact NZ-O 2.81Å; K1351-A1576 VanDerWaalsContact NZ-O 3.08Å; L1573-A1576 PolarHBondContact O-N 3.17Å; A1576-L1578 VanDerWaalsContact C-N 3.33Å
1577L42.8Very low54.4Low90 Ų9075.3 Ų75.347%0.47142%0.419SS..G310 helixtrans-81-13.6165.9-74.5167.6000112.1M1575 W1581M1575-L1577 PolarHBondContact O-N 3.01Å; L1577-W1581 PolarHBondContact O-N 2.94Å
1578L44Very low52.1Low54 Ų5479.5 Ų79.528%0.28346%0.455SS..Hα-helixtrans-75.4-42.1174-72.4160.1000111.6M1575 A1576 E1580 W1581 E1582 K1595M1575-L1578 WeakPolarHBondContact O-CB 2.89Å; M1575-L1578 PolarHBondContact O-N 3.48Å; M1575-L1578 VanDerWaalsContact O-N 3.08Å; A1576-L1578 VanDerWaalsContact C-N 3.33Å; L1578-E1580 VanDerWaalsContact C-N 3.27Å; L1578-E1580 PolarHBondContact O-N 3.19Å; L1578-W1581 PolarHBondContact O-N 3.45Å; L1578-E1582 PolarHBondContact O-N 2.96Å; L1578-K1595 HydrophobicContact CD2-CD 4.1Å
1579D39.7Very low49.6Very low116 Ų11684.1 Ų84.162%0.6247%0.47SS*.Hα-helixtrans-66.4-25.5178.2-69.3-8.5000113.5
1580E39.2Very low47.2Very low112 Ų11286.9 Ų86.952%0.52350%0.504SS..Hα-helixtrans-87.3-19.9178.3-75176.9-161.200112.9K1351 L1578K1351-E1580 IonicContact NZ-OE1 2.96Å; K1351-E1580 PolarHBondContact NZ-OE1 3.42Å; L1578-E1580 VanDerWaalsContact C-N 3.27Å; L1578-E1580 PolarHBondContact O-N 3.19Å
1581W39.4Very low45.1Very low180 Ų18087.1 Ų87.168%0.68252%0.519SS*.Hα-helixtrans-88.7-17.5177.2-111.251.7000113.8L1577 L1578 G1583L1577-W1581 PolarHBondContact O-N 2.94Å; L1578-W1581 PolarHBondContact O-N 3.45Å; W1581-G1583 PolarHBondContact O-N 2.87Å
1582E37.3Very low43.1Very low174 Ų17494 Ų9481%0.81355%0.554SS**THydrogen-bonded Turntrans-75.2-9172.5-75.6-175.5167.500113.2L1578L1578-E1582 PolarHBondContact O-N 2.96Å
1583G31.3Very low41Very low76 Ų76102.7 Ų102.778%0.78459%0.587SS**THydrogen-bonded Turntrans-103.72.9179.100000116.5W1581W1581-G1583 PolarHBondContact O-N 2.87Å
1584G29.8Very low39Very low37 Ų37112.9 Ų112.938%0.38162%0.623SS.*SBendtrans-15598.3-167.900000116
1585T31.6Very low37.6Very low139 Ų139117 Ų11785%0.85364%0.638SS**  trans55.2117.5151.256.80000119.4T1587T1585-T1587 PolarHBondContact O-N 3.49Å
1586D31.6Very low36.9Very low159 Ų159121.1 Ų121.185%0.8566%0.66SS**  trans-36114.1155.8-67.1-48.8000112.9
1587T32.6Very low37.4Very low126 Ų126123.7 Ų123.777%0.77368%0.677SS**  trans170.8142.8131.835.10000113.7T1585T1585-T1587 PolarHBondContact O-N 3.49Å
1588A35.8Very low38.4Very low94 Ų94121.3 Ų121.378%0.77767%0.668SS**  trans106.4113.4152.300000119.1
1589K32.8Very low39.7Very low142 Ų142121.3 Ų121.362%0.61767%0.67SS**  trans-65.2141.1176.7-63.1165.7171.7173.70112.6L603 A604L603-K1589 PolarHBondContact O-NZ 2.93Å; A604-K1589 PolarHBondContact O-NZ 2.92Å
1590G32.1Very low41.1Very low79 Ų79118.2 Ų118.281%0.81466%0.658SS**  trans142.474150.700000117.4
1591A33.7Very low42.9Very low85 Ų85115 Ų11570%0.70264%0.642SS**  trans171115.9139.500000108.3R1593A1591-R1593 PolarHBondContact O-N 3.39Å
1592N36.1Very low45.1Very low173 Ų173106.8 Ų106.893%0.92561%0.612SS**  trans-73.858.4173.4-128.12.3000110R1594N1592-R1594 PolarHBondContact O-N 3.48Å
1593R37.7Very low47.3Very low185 Ų185100.6 Ų100.670%0.69858%0.581SS**  trans-72.7107.4158.4-84.5-169177.6-157.5-0.9105.1A1591 K1595A1591-R1593 PolarHBondContact O-N 3.39Å; R1593-K1595 VanDerWaalsContact C-N 3.26Å; R1593-K1595 PolarHBondContact O-N 3.32Å
1594R36.6Very low49.6Very low241 Ų24199.9 Ų99.991%0.90957%0.567SS**  trans-52.396.1166.8-72.7178.7-178.9159.4-1.9107.2N1592 L1596N1592-R1594 PolarHBondContact O-N 3.48Å; R1594-L1596 PolarHBondContact O-N 3.48Å; R1594-L1596 VanDerWaalsContact O-N 3.12Å
1595K39.5Very low52.3Low153 Ų15398.5 Ų98.567%0.66555%0.551SS**  trans-68.2108173.8-75.6178.5172.6-176.20105.4L1578 R1593 S1597L1578-K1595 HydrophobicContact CD2-CD 4.1Å; R1593-K1595 VanDerWaalsContact C-N 3.26Å; R1593-K1595 PolarHBondContact O-N 3.32Å; K1595-S1597 PolarHBondContact O-N 3.38Å
1596L44.1Very low55.1Low115 Ų11591.9 Ų91.960%0.60251%0.511SS*.  trans-54.2131.1160.1-81.6110.1000106.3R1594 S1598R1594-L1596 PolarHBondContact O-N 3.48Å; R1594-L1596 VanDerWaalsContact O-N 3.12Å; L1596-S1598 PolarHBondContact O-N 3.31Å
1597S57.3Low57.7Low68 Ų6886.1 Ų86.148%0.47648%0.48SS..  trans-51134.6171.8173.70000108.4K1595 T1599 S1600K1595-S1597 PolarHBondContact O-N 3.38Å; S1597-T1599 PolarHBondContact O-N 3.43Å; S1597-T1599 PolarHBondContact OG-OG1 3.17Å; S1597-S1600 WeakPolarHBondContact O-CB 3.24Å; S1597-S1600 PolarHBondContact O-N 2.9Å
1598S63.8Low60.1Low40 Ų4080.8 Ų80.828%0.2845%0.447SS..Hα-helixtrans-45.6-43179.3174.30000110.6M1575 L1596 S1600 H1601 F1602M1575-S1598 WeakPolarHBondContact CE-O 3.25Å; M1575-S1598 WeakPolarHBondContact CE-OG 3.38Å; L1596-S1598 PolarHBondContact O-N 3.31Å; S1598-S1600 VanDerWaalsContact C-N 3.35Å; S1598-S1600 PolarHBondContact O-N 2.8Å; S1598-H1601 PolarHBondContact O-N 2.88Å; S1598-F1602 WeakPolarHBondContact O-CD2 3.38Å; S1598-F1602 PolarHBondContact O-N 2.98Å
1599T70.9Confident62.7Low54 Ų5476.3 Ų76.333%0.33141%0.41SS..Hα-helixtrans-57.3-41.4178-36.70000113.1S1597 H1601 F1602 R1603S1597-T1599 PolarHBondContact O-N 3.43Å; S1597-T1599 PolarHBondContact OG-OG1 3.17Å; T1599-H1601 VanDerWaalsContact C-N 3.32Å; T1599-H1601 PolarHBondContact O-N 3.18Å; T1599-F1602 PolarHBondContact O-N 3.49Å; T1599-R1603 VanDerWaalsContact O-CG 3.29Å; T1599-R1603 WeakPolarHBondContact O-CG 3.47Å; T1599-R1603 PolarHBondContact O-N 3Å
1600S70.7Confident65.3Low51 Ų5169.5 Ų69.536%0.35738%0.381SS..Hα-helixtrans-64.5-35.9-179.8-58.30000112.5S1597 S1598 A1604S1597-S1600 WeakPolarHBondContact O-CB 3.24Å; S1597-S1600 PolarHBondContact O-N 2.9Å; S1598-S1600 VanDerWaalsContact C-N 3.35Å; S1598-S1600 PolarHBondContact O-N 2.8Å; S1600-A1604 WeakPolarHBondContact O-CB 3.43Å; S1600-A1604 PolarHBondContact O-N 3.47Å
1601H76.9Confident67.7Low43 Ų4367.2 Ų67.220%0.19935%0.349CS..Hα-helixtrans-68-45.4177.1-176.967.3000111.7M1575 S1598 T1599 R1603 A1604 L1605M1575-H1601 HydrophobicContact CE-CB 4.13Å; M1575-H1601 HydrophobicContact SD-CB 4.37Å; S1598-H1601 PolarHBondContact O-N 2.88Å; T1599-H1601 VanDerWaalsContact C-N 3.32Å; T1599-H1601 PolarHBondContact O-N 3.18Å; H1601-R1603 PolarHBondContact O-N 3.41Å; H1601-A1604 PolarHBondContact O-N 2.97Å; H1601-L1605 PolarHBondContact O-N 3.28Å
1602F84.6Confident69.9Low8 Ų863.4 Ų63.44%0.03532%0.317CS..Hα-helixtrans-63.9-39.6176.5-75.1-65.2000112.5F1355 E1358 L1359 T1362 M1575 S1598 T1599 L1605 A1606F1355-F1602 HydrophobicContact CD1-CE1 4.31Å; F1355-F1602 AromaticContact CD2-CE1 3.59Å; F1355-F1602 HydrophobicContact CD2-CE1 3.59Å; F1355-F1602 AromaticContact CD2-CZ 3.64Å; F1355-F1602 HydrophobicContact CD2-CZ 3.64Å; F1355-F1602 HydrophobicContact CE1-CE1 4.18Å; F1355-F1602 HydrophobicContact CE2-CD1 4.36Å; F1355-F1602 AromaticContact CE2-CE1 3.45Å; F1355-F1602 HydrophobicContact CE2-CE1 3.45Å; F1355-F1602 VanDerWaalsContact CE2-CE1 3.45Å; F1355-F1602 AromaticContact CE2-CZ 3.81Å; F1355-F1602 HydrophobicContact CE2-CZ 3.81Å; F1355-F1602 HydrophobicContact CG-CE1 4.03Å; F1355-F1602 HydrophobicContact CG-CZ 4.27Å; F1355-F1602 HydrophobicContact CZ-CD1 4.41Å; F1355-F1602 AromaticContact CZ-CE1 3.76Å; F1355-F1602 HydrophobicContact CZ-CE1 3.76Å; F1355-F1602 WeakPolarHBondContact O-CE1 3.26Å; E1358-F1602 HydrophobicContact CB-CE1 4.31Å; E1358-F1602 HydrophobicContact CB-CE2 4.08Å; E1358-F1602 HydrophobicContact CB-CZ 3.89Å; E1358-F1602 HydrophobicContact CG-CD2 4.09Å; E1358-F1602 HydrophobicContact CG-CE2 3.75Å; E1358-F1602 HydrophobicContact CG-CZ 4.1Å; L1359-F1602 HydrophobicContact CB-CD1 3.91Å; L1359-F1602 HydrophobicContact CB-CE1 4.06Å; L1359-F1602 HydrophobicContact CD1-CD1 4.11Å; T1362-F1602 HydrophobicContact CG2-CB 3.91Å; M1575-F1602 HydrophobicContact CE-CD2 3.72Å; M1575-F1602 HydrophobicContact CE-CE2 3.31Å; M1575-F1602 HydrophobicContact CE-CZ 3.87Å; S1598-F1602 WeakPolarHBondContact O-CD2 3.38Å; S1598-F1602 PolarHBondContact O-N 2.98Å; T1599-F1602 PolarHBondContact O-N 3.49Å; F1602-L1605 PolarHBondContact O-N 2.75Å; F1602-A1606 VanDerWaalsContact O-CB 3.25Å; F1602-A1606 WeakPolarHBondContact O-CB 3.38Å; F1602-A1606 PolarHBondContact O-N 2.82Å
1603R83.3Confident71.3Confident45 Ų4555.7 Ų55.717%0.1728%0.275CS..Hα-helixtrans-61.3-45.3174.7-68.9-174.3-161.8152.43.5111.6R1320 D1323 T1362 M1366 T1599 H1601 L1605 A1606 L1607R1320-R1603 PolarHBondContact O-NH1 2.65Å; D1323-R1603 IonicContact OD1-CZ 2.66Å; D1323-R1603 VanDerWaalsContact OD1-CZ 3.23Å; D1323-R1603 IonicContact OD1-NE 2.9Å; D1323-R1603 IonicContact OD1-NH1 3.22Å; D1323-R1603 IonicContact OD1-NH2 3.88Å; D1323-R1603 PolarHBondContact OD1-NH2 3.21Å; D1323-R1603 IonicContact OD2-CZ 2.98Å; D1323-R1603 IonicContact OD2-NE 2.65Å; D1323-R1603 IonicContact OD2-NH2 2.88Å; D1323-R1603 PolarHBondContact OD2-NH2 3.11Å; T1362-R1603 HydrophobicContact CG2-CG 3.97Å; M1366-R1603 HydrophobicContact SD-CB 3.8Å; M1366-R1603 HydrophobicContact SD-CG 3.58Å; M1366-R1603 VanDerWaalsContact SD-CG 3.58Å; T1599-R1603 VanDerWaalsContact O-CG 3.29Å; T1599-R1603 WeakPolarHBondContact O-CG 3.47Å; T1599-R1603 PolarHBondContact O-N 3Å; H1601-R1603 PolarHBondContact O-N 3.41Å; R1603-L1605 PolarHBondContact O-N 3.35Å; R1603-A1606 PolarHBondContact O-N 2.74Å; R1603-L1607 WeakPolarHBondContact O-CB 3.39Å; R1603-L1607 WeakPolarHBondContact O-CG 3.28Å; R1603-L1607 PolarHBondContact O-N 3.39Å
1604A80.6Confident72.8Confident60 Ų6047.8 Ų47.850%0.49625%0.246SC..Hα-helixtrans-61.8-43177.100000111.9S1600 H1601 S1608S1600-A1604 WeakPolarHBondContact O-CB 3.43Å; S1600-A1604 PolarHBondContact O-N 3.47Å; H1601-A1604 PolarHBondContact O-N 2.97Å; A1604-S1608 VanDerWaalsContact O-CB 3.3Å; A1604-S1608 WeakPolarHBondContact O-CB 3.48Å; A1604-S1608 PolarHBondContact O-N 2.93Å
1605L85.8Confident74.4Confident9 Ų937.2 Ų37.25%0.04721%0.209CC..Hα-helixtrans-65.7-42.5176.5-175.660.1000112F1355 L1359 Q1565 I1567 H1601 F1602 R1603 S1608 V1609F1355-L1605 HydrophobicContact CE1-CD2 3.99Å; F1355-L1605 HydrophobicContact CZ-CD2 3.71Å; L1359-L1605 HydrophobicContact CD1-CB 4.21Å; L1359-L1605 HydrophobicContact CD1-CD2 3.98Å; L1359-L1605 HydrophobicContact CD1-CG 4.03Å; L1359-L1605 HydrophobicContact CD2-CD2 3.81Å; L1359-L1605 HydrophobicContact CD2-CG 4.32Å; Q1565-L1605 HydrophobicContact CG-CD1 3.92Å; I1567-L1605 HydrophobicContact CD1-CD2 4.02Å; H1601-L1605 PolarHBondContact O-N 3.28Å; F1602-L1605 PolarHBondContact O-N 2.75Å; R1603-L1605 PolarHBondContact O-N 3.35Å; L1605-S1608 WeakPolarHBondContact O-CB 3.33Å; L1605-S1608 PolarHBondContact O-N 2.81Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.46Å; L1605-V1609 PolarHBondContact O-N 3.37Å
1606A89.7Confident75.6Confident0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-63.5-44.4177.600000112L1359 Y1363 M1366 L1368 F1602 R1603 V1609 F1610L1359-A1606 HydrophobicContact CD1-CB 4.22Å; Y1363-A1606 HydrophobicContact CD2-CB 3.82Å; M1366-A1606 HydrophobicContact CE-CB 3.48Å; M1366-A1606 VanDerWaalsContact CE-CB 3.48Å; L1368-A1606 HydrophobicContact CD1-CB 4.3Å; F1602-A1606 VanDerWaalsContact O-CB 3.25Å; F1602-A1606 WeakPolarHBondContact O-CB 3.38Å; F1602-A1606 PolarHBondContact O-N 2.82Å; R1603-A1606 PolarHBondContact O-N 2.74Å; A1606-V1609 PolarHBondContact O-N 3.26Å; A1606-F1610 WeakPolarHBondContact O-CB 3.46Å; A1606-F1610 PolarHBondContact O-N 2.88Å
1607L87.2Confident76.4Confident38 Ų3825.6 Ų25.620%0.19916%0.16CC..Hα-helixtrans-63.7-41.5173.2-72.8171.1000111.6M1366 L1368 R1603 V1609 F1610 M1611 P1657M1366-L1607 HydrophobicContact CE-CD2 4.15Å; M1366-L1607 HydrophobicContact CE-CG 3.94Å; L1368-L1607 HydrophobicContact CD1-CD2 4.39Å; R1603-L1607 WeakPolarHBondContact O-CB 3.39Å; R1603-L1607 WeakPolarHBondContact O-CG 3.28Å; R1603-L1607 PolarHBondContact O-N 3.39Å; L1607-V1609 VanDerWaalsContact C-N 3.35Å; L1607-V1609 PolarHBondContact O-N 3.49Å; L1607-F1610 PolarHBondContact O-N 3Å; L1607-M1611 WeakPolarHBondContact O-CB 3.34Å; L1607-M1611 VanDerWaalsContact O-CG 3.24Å; L1607-M1611 WeakPolarHBondContact O-CG 3.45Å; L1607-M1611 PolarHBondContact O-N 3.49Å; L1607-P1657 HydrophobicContact CD2-CB 3.92Å; L1607-P1657 HydrophobicContact CD2-CG 4.26Å
1608S84Confident76.6Confident13 Ų1324.6 Ų24.69%0.09115%0.147CC..Hα-helixtrans-56.2-48175.2170.10000111.6C1156 A1604 L1605 F1610 M1611 Q1612C1156-S1608 WeakPolarHBondContact CB-OG 3.25Å; A1604-S1608 VanDerWaalsContact O-CB 3.3Å; A1604-S1608 WeakPolarHBondContact O-CB 3.48Å; A1604-S1608 PolarHBondContact O-N 2.93Å; L1605-S1608 WeakPolarHBondContact O-CB 3.33Å; L1605-S1608 PolarHBondContact O-N 2.81Å; S1608-F1610 VanDerWaalsContact C-N 3.34Å; S1608-F1610 PolarHBondContact O-N 2.94Å; S1608-M1611 PolarHBondContact O-N 2.88Å; S1608-Q1612 WeakPolarHBondContact O-CG 3.2Å
1609V88.4Confident76.4Confident0 Ų026.8 Ų26.80%016%0.162CC..Hα-helixtrans-63.7-40.9177.6172.90000111V1336 Y1363 V1517 Y1519 Q1563 L1605 A1606 L1607V1336-V1609 HydrophobicContact CG2-CG1 4.27Å; Y1363-V1609 HydrophobicContact CE2-CG1 4.33Å; V1517-V1609 HydrophobicContact CG2-CG1 3.93Å; Y1519-V1609 HydrophobicContact CE1-CG2 4.15Å; Y1519-V1609 WeakPolarHBondContact OH-CG2 3.49Å; Q1563-V1609 PolarHBondContact OE1-O 3Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.46Å; L1605-V1609 PolarHBondContact O-N 3.37Å; A1606-V1609 PolarHBondContact O-N 3.26Å; L1607-V1609 VanDerWaalsContact C-N 3.35Å; L1607-V1609 PolarHBondContact O-N 3.49Å
1610F87.9Confident75.9Confident0 Ų025.7 Ų25.70%016%0.157CC..Hα-helixtrans-66.9-38.5178.3177.4-95.1000113.7P1329 A1331 K1334 Y1363 L1368 A1606 L1607 S1608 Q1612 S1655 P1657P1329-F1610 HydrophobicContact CB-CE1 3.81Å; P1329-F1610 HydrophobicContact CB-CE2 4.24Å; P1329-F1610 HydrophobicContact CB-CZ 3.5Å; P1329-F1610 VanDerWaalsContact CB-CZ 3.5Å; P1329-F1610 HydrophobicContact CG-CE2 4.16Å; P1329-F1610 HydrophobicContact CG-CZ 3.87Å; A1331-F1610 HydrophobicContact CB-CE1 4.5Å; A1331-F1610 HydrophobicContact CB-CZ 4.07Å; K1334-F1610 HydrophobicContact CB-CD2 4.1Å; K1334-F1610 HydrophobicContact CB-CE2 4.24Å; K1334-F1610 HydrophobicContact CD-CD2 3.91Å; K1334-F1610 HydrophobicContact CD-CE2 4.08Å; K1334-F1610 HydrophobicContact CG-CD2 4.07Å; K1334-F1610 HydrophobicContact CG-CE2 3.92Å; K1334-F1610 PolarHBondContact NZ-O 2.9Å; Y1363-F1610 HydrophobicContact CE2-CB 4.23Å; L1368-F1610 HydrophobicContact CB-CD2 4.1Å; L1368-F1610 HydrophobicContact CD1-CB 3.88Å; L1368-F1610 HydrophobicContact CD1-CG 4.26Å; L1368-F1610 HydrophobicContact CD2-CD1 4.31Å; L1368-F1610 HydrophobicContact CD2-CD2 4.04Å; L1368-F1610 HydrophobicContact CD2-CE2 4.32Å; L1368-F1610 HydrophobicContact CD2-CG 4.04Å; L1368-F1610 HydrophobicContact CG-CD2 4.46Å; A1606-F1610 WeakPolarHBondContact O-CB 3.46Å; A1606-F1610 PolarHBondContact O-N 2.88Å; L1607-F1610 PolarHBondContact O-N 3Å; S1608-F1610 VanDerWaalsContact C-N 3.34Å; S1608-F1610 PolarHBondContact O-N 2.94Å; F1610-Q1612 VanDerWaalsContact C-N 3.29Å; F1610-Q1612 PolarHBondContact O-N 3.12Å; F1610-S1655 WeakPolarHBondContact CE1-O 3.38Å; F1610-P1657 HydrophobicContact CD1-CB 4.28Å; F1610-P1657 HydrophobicContact CE1-CB 4.15Å
1611M83.4Confident75.4Confident30 Ų3024.8 Ų24.815%0.14815%0.147CC..Hα-helixtrans-75.7-13.7-174.3-74-175.276.700114.3L1607 S1608 F1654 P1657 F1943L1607-M1611 WeakPolarHBondContact O-CB 3.34Å; L1607-M1611 VanDerWaalsContact O-CG 3.24Å; L1607-M1611 WeakPolarHBondContact O-CG 3.45Å; L1607-M1611 PolarHBondContact O-N 3.49Å; S1608-M1611 PolarHBondContact O-N 2.88Å; M1611-F1654 HydrophobicContact CE-CE2 4.42Å; M1611-F1654 HydrophobicContact CE-CZ 4.01Å; M1611-P1657 HydrophobicContact CE-CG 4.27Å; M1611-P1657 HydrophobicContact CG-CG 4Å; M1611-P1657 HydrophobicContact SD-CG 3.77Å; M1611-F1943 HydrophobicContact CE-CE1 3.45Å; M1611-F1943 VanDerWaalsContact CE-CE1 3.45Å; M1611-F1943 HydrophobicContact CE-CZ 3.64Å
1612Q79Confident74.6Confident5 Ų529.2 Ų29.22%0.02317%0.168CC..SBendtrans-60141.5173.8-73-175.116.500111.3D1153 K1334 Q1563 Q1565 S1608 F1610D1153-Q1612 HydrophobicContact CB-CB 4.08Å; D1153-Q1612 HydrophobicContact CB-CG 3.98Å; D1153-Q1612 WeakPolarHBondContact OD1-CB 3.3Å; K1334-Q1612 PolarHBondContact NZ-O 3.34Å; Q1563-Q1612 HydrophobicContact CG-CB 4.25Å; Q1565-Q1612 VanDerWaalsContact OE1-NE2 3.14Å; S1608-Q1612 WeakPolarHBondContact O-CG 3.2Å; F1610-Q1612 VanDerWaalsContact C-N 3.29Å; F1610-Q1612 PolarHBondContact O-N 3.12Å
1613I66.3Low73.3Confident11 Ų1133 Ų336%0.05619%0.194CC..  trans-70.1128.5-167.6-69.8167.3000110.4P1152 D1153 S1615 R1652 F1654P1152-I1613 HydrophobicContact CB-CD1 3.98Å; P1152-I1613 HydrophobicContact CG-CB 4.06Å; P1152-I1613 HydrophobicContact CG-CD1 3.61Å; P1152-I1613 HydrophobicContact CG-CG1 4.42Å; P1152-I1613 HydrophobicContact CG-CG2 3.99Å; D1153-I1613 WeakPolarHBondContact OD1-CA 3.24Å; D1153-I1613 PolarHBondContact OD1-N 3.35Å; D1153-I1613 VanDerWaalsContact OD1-O 3.04Å; I1613-S1615 PolarHBondContact O-N 3.21Å; I1613-R1652 HydrophobicContact CG2-CB 4.02Å; I1613-R1652 HydrophobicContact CG2-CG 4.33Å; I1613-F1654 HydrophobicContact CG1-CD2 4.34Å
1614R69.5Low71.9Confident20 Ų2033.1 Ų33.18%0.07520%0.201CC..EExtended strand (participates in β ladder)trans-88104.1-178.3-154.2-179.1-165.4161.12.8108.3P1333 P1513 I1616 L1653P1333-R1614 PolarHBondContact O-NH1 3.12Å; P1513-R1614 PolarHBondContact O-NH2 3.2Å; R1614-I1616 HydrophobicContact CB-CD1 4.47Å; R1614-I1616 HydrophobicContact CB-CG1 4.46Å; R1614-I1616 HydrophobicContact CG-CD1 4.01Å; R1614-I1616 HydrophobicContact CG-CG1 4.12Å; R1614-L1653 HydrophobicContact CB-CB 4.42Å; R1614-L1653 PolarHBondContact N-O 2.76Å; R1614-L1653 PolarHBondContact O-N 3.05Å
1615S69.1Low70.8Confident19 Ų1933.9 Ų33.913%0.13320%0.195CC..EExtended strand (participates in β ladder)trans-87.4119.1173.6178.70000110.4G1560 I1613 S1650 F1651G1560-S1615 WeakPolarHBondContact O-CB 3.18Å; G1560-S1615 PolarHBondContact O-N 3.18Å; I1613-S1615 PolarHBondContact O-N 3.21Å; S1615-S1650 WeakPolarHBondContact OG-CB 3.47Å; S1615-F1651 CarbonylContact C-O 3.51Å; S1615-F1651 WeakPolarHBondContact CA-O 3.29Å
1616I65Low69.5Low0 Ų037.6 Ų37.60%022%0.219CC..EExtended strand (participates in β ladder)trans-116.4119.1-168-51-164.5000109.4F1512 R1614 C1620 L1621 F1651 L1653F1512-I1616 HydrophobicContact CD1-CD1 3.37Å; F1512-I1616 HydrophobicContact CD1-CG2 4.37Å; F1512-I1616 HydrophobicContact CE1-CD1 3.62Å; F1512-I1616 HydrophobicContact CG-CD1 4.41Å; R1614-I1616 HydrophobicContact CB-CD1 4.47Å; R1614-I1616 HydrophobicContact CB-CG1 4.46Å; R1614-I1616 HydrophobicContact CG-CD1 4.01Å; R1614-I1616 HydrophobicContact CG-CG1 4.12Å; I1616-C1620 HydrophobicContact CG2-CB 3.56Å; I1616-L1621 HydrophobicContact CG2-CD2 4.44Å; I1616-L1621 HydrophobicContact CG2-CG 4.32Å; I1616-F1651 PolarHBondContact N-O 3.01Å; I1616-F1651 PolarHBondContact O-N 3.37Å; I1616-L1653 HydrophobicContact CB-CD1 4.37Å; I1616-L1653 HydrophobicContact CD1-CB 4.49Å; I1616-L1653 HydrophobicContact CD1-CD1 3.26Å; I1616-L1653 HydrophobicContact CD1-CG 4.45Å; I1616-L1653 HydrophobicContact CG1-CD1 3.86Å
1617G61.9Low68Low23 Ų2347 Ų4724%0.23726%0.26CS..  trans-66.3149.7172.900000111.9S1619 C1620G1617-S1619 PolarHBondContact O-N 3.18Å; G1617-S1619 VanDerWaalsContact O-N 3.16Å; G1617-C1620 WeakPolarHBondContact O-CB 3.37Å; G1617-C1620 PolarHBondContact O-N 2.87Å
1618F60.2Low66.7Low48 Ų4847.5 Ų47.521%0.21127%0.265CS..Hα-helixtrans-51.6-39.4179.3176-96.8000113.5C1620 L1621 Q1622 F1642 Q1646 F1651F1618-C1620 PolarHBondContact O-N 3.45Å; F1618-C1620 VanDerWaalsContact O-N 3.14Å; F1618-L1621 PolarHBondContact O-N 2.76Å; F1618-Q1622 PolarHBondContact O-N 2.72Å; F1618-F1642 HydrophobicContact CE2-CB 4.11Å; F1618-F1642 HydrophobicContact CZ-CB 4.39Å; F1618-F1642 WeakPolarHBondContact CZ-O 3.16Å; F1618-Q1646 HydrophobicContact CD1-CG 4.42Å; F1618-Q1646 HydrophobicContact CE1-CG 4.21Å; F1618-F1651 HydrophobicContact CB-CE2 4.48Å; F1618-F1651 HydrophobicContact CD2-CE2 4.29Å
1619S59.5Low65.6Low85 Ų8555.2 Ų55.259%0.59430%0.304SS*.Hα-helixtrans-57.2-28.5178.652.50000113.6G1617 P1623G1617-S1619 PolarHBondContact O-N 3.18Å; G1617-S1619 VanDerWaalsContact O-N 3.16Å; S1619-P1623 WeakPolarHBondContact O-CD 3.42Å
1620C60.2Low64.7Low32 Ų3260.1 Ų60.122%0.21634%0.335CS..Hα-helixtrans-80.9-20.8179.2-61.60000113P1513 I1616 G1617 F1618 P1623 C1624P1513-C1620 HydrophobicContact CG-CB 4.45Å; I1616-C1620 HydrophobicContact CG2-CB 3.56Å; G1617-C1620 WeakPolarHBondContact O-CB 3.37Å; G1617-C1620 PolarHBondContact O-N 2.87Å; F1618-C1620 PolarHBondContact O-N 3.45Å; F1618-C1620 VanDerWaalsContact O-N 3.14Å; C1620-P1623 WeakPolarHBondContact O-CD 3.17Å; C1620-C1624 PolarHBondContact O-SG 3.36Å
1621L61.3Low63.5Low31 Ų3162.6 Ų62.616%0.16236%0.36CS..Hα-helixtrans-83.8-24.8177-67.4172.4000112F1512 I1616 F1618 C1624 M1625 F1651F1512-L1621 HydrophobicContact CE1-CD2 4.08Å; I1616-L1621 HydrophobicContact CG2-CD2 4.44Å; I1616-L1621 HydrophobicContact CG2-CG 4.32Å; F1618-L1621 PolarHBondContact O-N 2.76Å; L1621-C1624 WeakPolarHBondContact O-CB 3.32Å; L1621-C1624 PolarHBondContact O-N 3.36Å; L1621-M1625 WeakPolarHBondContact O-CG 3.41Å; L1621-M1625 PolarHBondContact O-N 3.02Å; L1621-F1651 HydrophobicContact CD1-CD2 3.34Å; L1621-F1651 HydrophobicContact CD1-CE2 3.59Å; L1621-F1651 HydrophobicContact CD1-CG 3.99Å; L1621-F1651 HydrophobicContact CD1-CZ 4.41Å
1622Q59.5Low62.5Low136 Ų13669.7 Ų69.764%0.63639%0.39SS*.G310 helixtrans-57.1-41-176.6-157.9-170.4-19.400114.1F1618 C1624 M1625F1618-Q1622 PolarHBondContact O-N 2.72Å; Q1622-C1624 VanDerWaalsContact C-N 3.31Å; Q1622-C1624 PolarHBondContact O-N 2.97Å; Q1622-M1625 PolarHBondContact O-N 3.46Å
1623P56.7Low61.7Low88 Ų8871.6 Ų71.657%0.57141%0.411SS*.G310 helixtrans-71-24.6175.4-16.631.5000113.6L1511 S1619 C1620 M1625L1511-P1623 HydrophobicContact CD2-CB 4.44Å; S1619-P1623 WeakPolarHBondContact O-CD 3.42Å; C1620-P1623 WeakPolarHBondContact O-CD 3.17Å; P1623-M1625 VanDerWaalsContact C-N 3.31Å
1624C55.6Low61.1Low47 Ų4777 Ų7732%0.31845%0.447SS..G310 helixtrans-81.1-14.1179.6-49.40000112.7L1511 C1620 L1621 Q1622L1511-C1624 WeakPolarHBondContact CB-SG 2.93Å; L1511-C1624 HydrophobicContact CD2-CB 4.03Å; C1620-C1624 PolarHBondContact O-SG 3.36Å; L1621-C1624 WeakPolarHBondContact O-CB 3.32Å; L1621-C1624 PolarHBondContact O-N 3.36Å; Q1622-C1624 VanDerWaalsContact C-N 3.31Å; Q1622-C1624 PolarHBondContact O-N 2.97Å
1625M57.2Low60.4Low77 Ų7780.6 Ų80.638%0.37947%0.467SS..SBendtrans-81.7134.6-178.5-70.6-80.6169.800109.8L1621 Q1622 P1623 K1627 F1642L1621-M1625 WeakPolarHBondContact O-CG 3.41Å; L1621-M1625 PolarHBondContact O-N 3.02Å; Q1622-M1625 PolarHBondContact O-N 3.46Å; P1623-M1625 VanDerWaalsContact C-N 3.31Å; M1625-K1627 PolarHBondContact O-N 3.48Å; M1625-F1642 HydrophobicContact CE-CE2 4.05Å; M1625-F1642 HydrophobicContact CE-CZ 4.24Å; M1625-F1642 HydrophobicContact SD-CE2 4.22Å
1626P56.9Low60.1Low86 Ų8680.7 Ų80.756%0.55847%0.469SS*.PPolyproline II helixtrans-55.2123.4175.7-20.328.9000110.6V1628 L1635P1626-V1628 PolarHBondContact O-N 3.24Å; P1626-L1635 HydrophobicContact CB-CD2 4.29Å; P1626-L1635 HydrophobicContact CG-CD2 4.17Å
1627K59.6Low59.8Low198 Ų19882.5 Ų82.586%0.86149%0.488SS*.PPolyproline II helixtrans-67.8126.8176.3-74-180-178.7171.50109.6M1625 L1629M1625-K1627 PolarHBondContact O-N 3.48Å; K1627-L1629 PolarHBondContact O-N 3.39Å
1628V60.3Low59.5Low49 Ų4988.9 Ų88.930%0.29751%0.505SS..  trans-79.4105.7179.7-161.50000108.8P1626 T1630 L1635 A1636 A1639P1626-V1628 PolarHBondContact O-N 3.24Å; V1628-T1630 VanDerWaalsContact C-N 3.3Å; V1628-T1630 PolarHBondContact O-N 2.92Å; V1628-L1635 HydrophobicContact CG2-CB 4.2Å; V1628-A1636 HydrophobicContact CG1-CB 3.87Å; V1628-A1639 HydrophobicContact CG2-CB 4.25Å
1629L60.1Low59.6Low175 Ų17588.9 Ų88.992%0.91651%0.514SS*.SBendtrans-71.6-22.3-176.8-80158.2000113.8K1627K1627-L1629 PolarHBondContact O-N 3.39Å
1630T70.3Confident59.5Low103 Ų10388.4 Ų88.463%0.63250%0.502SS*.SBendtrans-115-6.2-169.1550000114.4V1628 F1632V1628-T1630 VanDerWaalsContact C-N 3.3Å; V1628-T1630 PolarHBondContact O-N 2.92Å; T1630-F1632 WeakPolarHBondContact O-CD2 3.34Å; T1630-F1632 PolarHBondContact O-N 2.84Å; T1630-F1632 PolarHBondContact OG1-O 2.82Å
1631G62.7Low59.2Low52 Ų5290.4 Ų90.454%0.53651%0.51SS..SBendtrans65.7-0.7-175.700000115.8A1636G1631-A1636 WeakPolarHBondContact O-CB 3.15Å
1632F60.6Low59Low179 Ų17991.6 Ų91.679%0.78551%0.514SS*.  trans-131.2146.3179.5-62.1-78.3000111.3T1630T1630-F1632 WeakPolarHBondContact O-CD2 3.34Å; T1630-F1632 PolarHBondContact O-N 2.84Å; T1630-F1632 PolarHBondContact OG1-O 2.82Å
1633G62.7Low58.8Low45 Ų4592.7 Ų92.746%0.46451%0.512SS..SBendtrans118.4175.9176.800000114.3L1635 A1636 G1637G1633-L1635 PolarHBondContact O-N 3.15Å; G1633-L1635 VanDerWaalsContact O-N 3.16Å; G1633-A1636 WeakPolarHBondContact O-CA 3.34Å; G1633-A1636 VanDerWaalsContact O-CB 3.28Å; G1633-A1636 WeakPolarHBondContact O-CB 3.33Å; G1633-A1636 PolarHBondContact O-N 2.85Å; G1633-G1637 PolarHBondContact O-N 2.95Å; G1633-G1637 VanDerWaalsContact O-N 3.08Å
1634P54.1Low58.7Low123 Ų12398 Ų9880%0.79952%0.521SS*.Hα-helixtrans-56.6-34.8-175-24.533000113.5G1637 R1638P1634-G1637 PolarHBondContact O-N 3.32Å; P1634-R1638 WeakPolarHBondContact O-CB 3.39Å; P1634-R1638 PolarHBondContact O-N 3.2Å
1635L54.5Low58.6Low96 Ų96100.6 Ų100.650%0.50353%0.527SS..Hα-helixtrans-68.9-34.6175.1-78159.2000112.8P1626 V1628 G1633 R1638 A1639P1626-L1635 HydrophobicContact CB-CD2 4.29Å; P1626-L1635 HydrophobicContact CG-CD2 4.17Å; V1628-L1635 HydrophobicContact CG2-CB 4.2Å; G1633-L1635 PolarHBondContact O-N 3.15Å; G1633-L1635 VanDerWaalsContact O-N 3.16Å; L1635-R1638 PolarHBondContact O-N 3.2Å; L1635-A1639 WeakPolarHBondContact O-CB 3.47Å; L1635-A1639 PolarHBondContact O-N 3.08Å
1636A63.1Low58.3Low21 Ų21103.5 Ų103.517%0.17454%0.54CS..Hα-helixtrans-66.3-45.5173.400000111.2V1628 G1631 G1633 R1638 A1639 E1640V1628-A1636 HydrophobicContact CG1-CB 3.87Å; G1631-A1636 WeakPolarHBondContact O-CB 3.15Å; G1633-A1636 WeakPolarHBondContact O-CA 3.34Å; G1633-A1636 VanDerWaalsContact O-CB 3.28Å; G1633-A1636 WeakPolarHBondContact O-CB 3.33Å; G1633-A1636 PolarHBondContact O-N 2.85Å; A1636-R1638 VanDerWaalsContact C-N 3.32Å; A1636-R1638 PolarHBondContact O-N 2.76Å; A1636-A1639 PolarHBondContact O-N 3.33Å; A1636-E1640 PolarHBondContact O-N 3.29Å
1637G58.2Low57.8Low38 Ų38105.2 Ų105.239%0.39254%0.544SS..Hα-helixtrans-62.3-39.2175.100000112.2G1633 P1634 E1640 L1641G1633-G1637 PolarHBondContact O-N 2.95Å; G1633-G1637 VanDerWaalsContact O-N 3.08Å; P1634-G1637 PolarHBondContact O-N 3.32Å; G1637-E1640 PolarHBondContact O-N 3.2Å; G1637-L1641 WeakPolarHBondContact O-CB 2.99Å; G1637-L1641 PolarHBondContact O-N 3.47Å
1638R56.9Low57.3Low157 Ų15798.6 Ų98.659%0.59252%0.516SS*.Hα-helixtrans-66.4-43.2175.3-149.6-177.8169.1140.7-7.1111.5P1634 L1635 A1636 E1640 L1641 F1642P1634-R1638 WeakPolarHBondContact O-CB 3.39Å; P1634-R1638 PolarHBondContact O-N 3.2Å; L1635-R1638 PolarHBondContact O-N 3.2Å; A1636-R1638 VanDerWaalsContact C-N 3.32Å; A1636-R1638 PolarHBondContact O-N 2.76Å; R1638-E1640 PolarHBondContact O-N 2.92Å; R1638-L1641 PolarHBondContact O-N 3.18Å; R1638-F1642 HydrophobicContact CG-CD2 3.92Å; R1638-F1642 HydrophobicContact CG-CE2 3.52Å; R1638-F1642 HydrophobicContact CG-CZ 4.43Å; R1638-F1642 WeakPolarHBondContact O-CB 3.22Å; R1638-F1642 WeakPolarHBondContact O-CD2 3.41Å; R1638-F1642 WeakPolarHBondContact O-CG 3.31Å; R1638-F1642 PolarHBondContact O-N 3.29Å
1639A61.3Low56.9Low49 Ų49102 Ų10241%0.40553%0.528SS..Hα-helixtrans-61.3-39.917500000112.6V1628 L1635 A1636 F1642 R1643V1628-A1639 HydrophobicContact CG2-CB 4.25Å; L1635-A1639 WeakPolarHBondContact O-CB 3.47Å; L1635-A1639 PolarHBondContact O-N 3.08Å; A1636-A1639 PolarHBondContact O-N 3.33Å; A1639-F1642 PolarHBondContact O-N 3.39Å; A1639-R1643 WeakPolarHBondContact O-CB 3.26Å; A1639-R1643 PolarHBondContact O-N 3.36Å
1640E57.6Low56.8Low75 Ų7596.7 Ų96.735%0.3551%0.505SS..Hα-helixtrans-74.5-37.4177.7-168.162.6-165.700112.8A1636 G1637 R1638 F1642 R1643 R1644A1636-E1640 PolarHBondContact O-N 3.29Å; G1637-E1640 PolarHBondContact O-N 3.2Å; R1638-E1640 PolarHBondContact O-N 2.92Å; E1640-F1642 VanDerWaalsContact C-N 3.31Å; E1640-F1642 PolarHBondContact O-N 2.68Å; E1640-R1643 PolarHBondContact O-N 2.88Å; E1640-R1643 IonicContact OE1-CZ 2.81Å; E1640-R1643 IonicContact OE1-NE 3.38Å; E1640-R1643 IonicContact OE1-NH2 3.44Å; E1640-R1643 PolarHBondContact OE1-NH2 3.05Å; E1640-R1643 VanDerWaalsContact OE1-NH2 3.14Å; E1640-R1643 IonicContact OE2-CZ 2.72Å; E1640-R1643 IonicContact OE2-NE 3.69Å; E1640-R1643 PolarHBondContact OE2-NE 3.21Å; E1640-R1643 IonicContact OE2-NH2 3.73Å; E1640-R1644 PolarHBondContact O-N 2.99Å
1641L54.4Low56.4Low74 Ų7495.5 Ų95.539%0.38749%0.492SS..Hα-helixtrans-60.5-40.3169.7-94.3159.3000111.8G1637 R1638 K1645G1637-L1641 WeakPolarHBondContact O-CB 2.99Å; G1637-L1641 PolarHBondContact O-N 3.47Å; R1638-L1641 PolarHBondContact O-N 3.18Å; L1641-K1645 PolarHBondContact O-N 3.44Å
1642F56Low56.8Low56 Ų5697.6 Ų97.625%0.24648%0.484CS..Hα-helixtrans-69.8-34.6174.4-78.9-56000112.4F1618 M1625 R1638 A1639 E1640 K1645F1618-F1642 HydrophobicContact CE2-CB 4.11Å; F1618-F1642 HydrophobicContact CZ-CB 4.39Å; F1618-F1642 WeakPolarHBondContact CZ-O 3.16Å; M1625-F1642 HydrophobicContact CE-CE2 4.05Å; M1625-F1642 HydrophobicContact CE-CZ 4.24Å; M1625-F1642 HydrophobicContact SD-CE2 4.22Å; R1638-F1642 HydrophobicContact CG-CD2 3.92Å; R1638-F1642 HydrophobicContact CG-CE2 3.52Å; R1638-F1642 HydrophobicContact CG-CZ 4.43Å; R1638-F1642 WeakPolarHBondContact O-CB 3.22Å; R1638-F1642 WeakPolarHBondContact O-CD2 3.41Å; R1638-F1642 WeakPolarHBondContact O-CG 3.31Å; R1638-F1642 PolarHBondContact O-N 3.29Å; A1639-F1642 PolarHBondContact O-N 3.39Å; E1640-F1642 VanDerWaalsContact C-N 3.31Å; E1640-F1642 PolarHBondContact O-N 2.68Å; F1642-K1645 PolarHBondContact O-N 2.74Å
1643R56.2Low57.2Low158 Ų15892.5 Ų92.560%0.59646%0.464SS*.Hα-helixtrans-68.1-38.4175.2-156.7171.676.11318.4112.3A1639 E1640 K1645 Q1646A1639-R1643 WeakPolarHBondContact O-CB 3.26Å; A1639-R1643 PolarHBondContact O-N 3.36Å; E1640-R1643 PolarHBondContact O-N 2.88Å; E1640-R1643 IonicContact OE1-CZ 2.81Å; E1640-R1643 IonicContact OE1-NE 3.38Å; E1640-R1643 IonicContact OE1-NH2 3.44Å; E1640-R1643 PolarHBondContact OE1-NH2 3.05Å; E1640-R1643 VanDerWaalsContact OE1-NH2 3.14Å; E1640-R1643 IonicContact OE2-CZ 2.72Å; E1640-R1643 IonicContact OE2-NE 3.69Å; E1640-R1643 PolarHBondContact OE2-NE 3.21Å; E1640-R1643 IonicContact OE2-NH2 3.73Å; R1643-K1645 VanDerWaalsContact C-N 3.3Å; R1643-K1645 PolarHBondContact O-N 3.05Å; R1643-Q1646 PolarHBondContact O-N 3.48Å
1644R55.4Low57.8Low199 Ų19992 Ų9275%0.75145%0.449SS*.Hα-helixtrans-69.5-22.3173.8-77-175.5179.5-179.5-1.2113.9E1640E1640-R1644 PolarHBondContact O-N 2.99Å
1645K53.4Low59.1Low103 Ų10386.5 Ų86.545%0.44841%0.413SS..THydrogen-bonded Turntrans-94.221.5177.8-77.2-169.3177.3-174.50113.8L1641 F1642 R1643 D1647 F1648L1641-K1645 PolarHBondContact O-N 3.44Å; F1642-K1645 PolarHBondContact O-N 2.74Å; R1643-K1645 VanDerWaalsContact C-N 3.3Å; R1643-K1645 PolarHBondContact O-N 3.05Å; K1645-D1647 PolarHBondContact O-N 2.98Å; K1645-F1648 HydrophobicContact CB-CD2 4.03Å; K1645-F1648 HydrophobicContact CD-CD2 4.08Å; K1645-F1648 HydrophobicContact CD-CE2 4.14Å; K1645-F1648 HydrophobicContact CG-CD2 4.09Å; K1645-F1648 HydrophobicContact CG-CE2 4.32Å; K1645-F1648 PolarHBondContact O-N 2.79Å
1646Q50.2Low60.5Low138 Ų13882.1 Ų82.165%0.64539%0.391SS*.THydrogen-bonded Turntrans-52-21174.1-111.7178.9-1.800114F1618 R1643 F1648F1618-Q1646 HydrophobicContact CD1-CG 4.42Å; F1618-Q1646 HydrophobicContact CE1-CG 4.21Å; R1643-Q1646 PolarHBondContact O-N 3.48Å; Q1646-F1648 VanDerWaalsContact C-N 3.29Å; Q1646-F1648 PolarHBondContact O-N 3.39Å
1647D46Very low61.5Low122 Ų12281.7 Ų81.765%0.65239%0.387SS*.THydrogen-bonded Turntrans-72.7-10.8175.4-66.9-18.3000115R525 K1645 Q1649R525-D1647 IonicContact NH2-OD2 3.32Å; K1645-D1647 PolarHBondContact O-N 2.98Å; D1647-Q1649 PolarHBondContact O-N 3.34Å
1648F48.4Very low62.8Low59 Ų5981.7 Ų81.726%0.25938%0.379SS..  trans-80.5110.4178.9-88.1-85.2000111.7A523 R525 K1645 Q1646 S1650A523-F1648 HydrophobicContact CB-CZ 3.9Å; R525-F1648 HydrophobicContact CG-CE1 4.05Å; R525-F1648 HydrophobicContact CG-CZ 4.06Å; K1645-F1648 HydrophobicContact CB-CD2 4.03Å; K1645-F1648 HydrophobicContact CD-CD2 4.08Å; K1645-F1648 HydrophobicContact CD-CE2 4.14Å; K1645-F1648 HydrophobicContact CG-CD2 4.09Å; K1645-F1648 HydrophobicContact CG-CE2 4.32Å; K1645-F1648 PolarHBondContact O-N 2.79Å; Q1646-F1648 VanDerWaalsContact C-N 3.29Å; Q1646-F1648 PolarHBondContact O-N 3.39Å; F1648-S1650 PolarHBondContact O-N 2.93Å
1649Q52.7Low64.3Low121 Ų12174.8 Ų74.857%0.56535%0.354SS*.  trans-71.9118.6175.9-66.8-177.7-9.400110.7D1647D1647-Q1649 PolarHBondContact O-N 3.34Å
1650S57.1Low65.4Low62 Ų6273.4 Ų73.443%0.43434%0.339SS..  trans49.7124.5163.262.10000119S1615 F1648S1615-S1650 WeakPolarHBondContact OG-CB 3.47Å; F1648-S1650 PolarHBondContact O-N 2.93Å
1651F63.8Low66.5Low78 Ų7872.7 Ų72.734%0.34234%0.337SS..EExtended strand (participates in β ladder)trans-91135172.1-60.2-88.1000110.7S1615 I1616 F1618 L1621S1615-F1651 CarbonylContact C-O 3.51Å; S1615-F1651 WeakPolarHBondContact CA-O 3.29Å; I1616-F1651 PolarHBondContact N-O 3.01Å; I1616-F1651 PolarHBondContact O-N 3.37Å; F1618-F1651 HydrophobicContact CB-CE2 4.48Å; F1618-F1651 HydrophobicContact CD2-CE2 4.29Å; L1621-F1651 HydrophobicContact CD1-CD2 3.34Å; L1621-F1651 HydrophobicContact CD1-CE2 3.59Å; L1621-F1651 HydrophobicContact CD1-CG 3.99Å; L1621-F1651 HydrophobicContact CD1-CZ 4.41Å
1652R69.3Low67.5Low97 Ų9771.9 Ų71.937%0.36634%0.336SS..EExtended strand (participates in β ladder)trans-90.7129.6173.6-67.9-179.4179.6-173.3-2.1110.1S1149 L1150 I1613 D1712S1149-R1652 PolarHBondContact O-NH2 2.68Å; L1150-R1652 PolarHBondContact O-NH2 3.12Å; I1613-R1652 HydrophobicContact CG2-CB 4.02Å; I1613-R1652 HydrophobicContact CG2-CG 4.33Å; R1652-D1712 IonicContact NH1-OD1 3.44Å
1653L69.7Low67.8Low71 Ų7174.5 Ų74.537%0.37234%0.344SS..EExtended strand (participates in β ladder)trans-124.5114.8175.7-78.1155.7000109.5R1614 I1616R1614-L1653 HydrophobicContact CB-CB 4.42Å; R1614-L1653 PolarHBondContact N-O 2.76Å; R1614-L1653 PolarHBondContact O-N 3.05Å; I1616-L1653 HydrophobicContact CB-CD1 4.37Å; I1616-L1653 HydrophobicContact CD1-CB 4.49Å; I1616-L1653 HydrophobicContact CD1-CD1 3.26Å; I1616-L1653 HydrophobicContact CD1-CG 4.45Å; I1616-L1653 HydrophobicContact CG1-CD1 3.86Å
1654F76.5Confident67.8Low35 Ų3572.8 Ų72.815%0.15435%0.346CS..  trans-70.9148.9168.6178.7-122.3000109.8M1611 I1613 A1656 S1709 L1711 F1943M1611-F1654 HydrophobicContact CE-CE2 4.42Å; M1611-F1654 HydrophobicContact CE-CZ 4.01Å; I1613-F1654 HydrophobicContact CG1-CD2 4.34Å; F1654-A1656 HydrophobicContact CD1-CB 4.14Å; F1654-A1656 HydrophobicContact CE1-CB 3.61Å; F1654-A1656 HydrophobicContact CZ-CB 4.3Å; F1654-S1709 WeakPolarHBondContact CD1-O 3.34Å; F1654-L1711 HydrophobicContact CD1-CB 4.17Å; F1654-L1711 HydrophobicContact CD2-CB 4.05Å; F1654-L1711 HydrophobicContact CE1-CB 4Å; F1654-L1711 HydrophobicContact CE2-CB 3.91Å; F1654-L1711 HydrophobicContact CE2-CD2 4.03Å; F1654-L1711 HydrophobicContact CG-CB 4.19Å; F1654-L1711 HydrophobicContact CZ-CB 3.88Å; F1654-L1711 HydrophobicContact CZ-CD2 4.2Å; F1654-F1943 HydrophobicContact CZ-CE1 4.5Å; F1654-F1943 HydrophobicContact CZ-CZ 4.4Å
1655S80.5Confident67.4Low7 Ų766.6 Ų66.65%0.04933%0.328CS..  trans-127.789.2178.1-54.10000109.9K1334 F1610K1334-S1655 WeakPolarHBondContact CE-OG 3.12Å; K1334-S1655 PolarHBondContact NZ-OG 3.38Å; F1610-S1655 WeakPolarHBondContact CE1-O 3.38Å
1656A83.1Confident66.7Low5 Ų571.6 Ų71.64%0.04134%0.344CS..  trans-70.5126.8175.200000109.7A1331 F1654 V1658 I1659A1331-A1656 WeakPolarHBondContact CB-O 3.46Å; A1331-A1656 PolarHBondContact N-O 2.6Å; F1654-A1656 HydrophobicContact CD1-CB 4.14Å; F1654-A1656 HydrophobicContact CE1-CB 3.61Å; F1654-A1656 HydrophobicContact CZ-CB 4.3Å; A1656-V1658 VanDerWaalsContact C-N 3.29Å; A1656-I1659 HydrophobicContact CB-CG2 3.77Å
1657P84.3Confident66.3Low11 Ų1168.2 Ų68.27%0.07134%0.339CS..SBendtrans-71.2-31.2170.228-32.8000110.6W1322 P1329 F1330 L1607 F1610 M1611W1322-P1657 HydrophobicContact CH2-CB 4.27Å; P1329-P1657 CarbonylContact C-O 3.52Å; P1329-P1657 WeakPolarHBondContact CA-O 3.41Å; F1330-P1657 PolarHBondContact N-O 3.18Å; L1607-P1657 HydrophobicContact CD2-CB 3.92Å; L1607-P1657 HydrophobicContact CD2-CG 4.26Å; F1610-P1657 HydrophobicContact CD1-CB 4.28Å; F1610-P1657 HydrophobicContact CE1-CB 4.15Å; M1611-P1657 HydrophobicContact CE-CG 4.27Å; M1611-P1657 HydrophobicContact CG-CG 4Å; M1611-P1657 HydrophobicContact SD-CG 3.77Å
1658V86.9Confident66.1Low39 Ų3964 Ų6424%0.23632%0.32CS..  trans-141.4149.2178-520000109L1303 V1305 W1322 A1656L1303-V1658 HydrophobicContact CD1-CB 4.39Å; L1303-V1658 HydrophobicContact CD1-CG2 4.15Å; V1305-V1658 HydrophobicContact CG1-CB 4.06Å; V1305-V1658 HydrophobicContact CG1-CG1 3.49Å; V1305-V1658 VanDerWaalsContact CG1-CG1 3.49Å; W1322-V1658 HydrophobicContact CH2-CG1 4.08Å; W1322-V1658 HydrophobicContact CZ3-CG1 3.63Å; A1656-V1658 VanDerWaalsContact C-N 3.29Å
1659I87.1Confident65.7Low12 Ų1266.2 Ų66.26%0.06233%0.333CS..EExtended strand (participates in β ladder)trans-124.9160.6167.963.4165.9000109.9L1303 L1304 F1330 A1656L1303-I1659 CarbonylContact C-O 3.52Å; L1303-I1659 WeakPolarHBondContact CA-O 3.4Å; L1304-I1659 HydrophobicContact CB-CG1 3.9Å; L1304-I1659 HydrophobicContact CD2-CD1 4.19Å; L1304-I1659 HydrophobicContact CD2-CG1 4.36Å; L1304-I1659 PolarHBondContact N-O 3.13Å; L1304-I1659 PolarHBondContact O-N 3.45Å; F1330-I1659 HydrophobicContact CD1-CD1 4.18Å; F1330-I1659 HydrophobicContact CD1-CG1 4.17Å; F1330-I1659 HydrophobicContact CD1-CG2 3.66Å; F1330-I1659 HydrophobicContact CD2-CD1 4.02Å; F1330-I1659 HydrophobicContact CD2-CG1 3.92Å; F1330-I1659 HydrophobicContact CE1-CD1 3.76Å; F1330-I1659 HydrophobicContact CE1-CG1 4.26Å; F1330-I1659 HydrophobicContact CE1-CG2 4Å; F1330-I1659 HydrophobicContact CE2-CD1 3.58Å; F1330-I1659 HydrophobicContact CE2-CG1 4.02Å; F1330-I1659 HydrophobicContact CG-CD1 4.3Å; F1330-I1659 HydrophobicContact CG-CG1 4Å; F1330-I1659 HydrophobicContact CG-CG2 4.12Å; F1330-I1659 HydrophobicContact CZ-CD1 3.44Å; F1330-I1659 VanDerWaalsContact CZ-CD1 3.44Å; F1330-I1659 HydrophobicContact CZ-CG1 4.19Å; A1656-I1659 HydrophobicContact CB-CG2 3.77Å
1660L84.6Confident65Low19 Ų1968.5 Ų68.510%0.09935%0.345CS..EExtended strand (participates in β ladder)trans-66.5139170.3-65.3-171.9000110.1P1301 L1303 P1662 L1707 R1935 F1939P1301-L1660 HydrophobicContact CB-CD2 4.15Å; L1303-L1660 HydrophobicContact CD2-CD2 3.59Å; L1660-P1662 WeakPolarHBondContact O-CD 3.47Å; L1660-L1707 HydrophobicContact CB-CD2 4.44Å; L1660-L1707 PolarHBondContact N-O 3.2Å; L1660-R1935 HydrophobicContact CD1-CG 4.4Å; L1660-F1939 HydrophobicContact CD1-CD2 4.23Å; L1660-F1939 HydrophobicContact CD1-CE2 3.53Å; L1660-F1939 HydrophobicContact CD1-CZ 4.45Å; L1660-F1939 HydrophobicContact CG-CE2 3.87Å; L1660-F1939 HydrophobicContact CG-CZ 4.34Å
1661M81.6Confident64.1Low60 Ų6070 Ų7030%0.29636%0.356SS..PPolyproline II helixtrans-62.4124174.2-172.563.7174.200109.5Q1302 L1304 R1663Q1302-M1661 HydrophobicContact CB-CB 3.93Å; Q1302-M1661 WeakPolarHBondContact O-CB 3.27Å; Q1302-M1661 PolarHBondContact O-N 3Å; L1304-M1661 HydrophobicContact CB-SD 4.23Å; L1304-M1661 HydrophobicContact CD1-SD 3.71Å; L1304-M1661 HydrophobicContact CD2-SD 4.5Å; L1304-M1661 HydrophobicContact CG-SD 4.37Å; M1661-R1663 PolarHBondContact O-N 3.2Å; M1661-R1663 VanDerWaalsContact O-N 3.15Å
1662P74.3Confident62.6Low58 Ų5868.2 Ų68.238%0.37735%0.353SS..PPolyproline II helixtrans-57.7121.4170.3-21.132.4000108.4L1660 I1664 L1707L1660-P1662 WeakPolarHBondContact O-CD 3.47Å; P1662-I1664 PolarHBondContact O-N 3.48Å; P1662-I1664 VanDerWaalsContact O-N 3.11Å; P1662-L1707 HydrophobicContact CG-CD1 4.24Å; P1662-L1707 HydrophobicContact CG-CD2 4.37Å
1663R63.1Low61.3Low111 Ų11169.8 Ų69.842%0.41937%0.373SS..  trans-75.3107.5175.4-77.1-172.4-176.6-169.311.2107.2M1661 D1665 H1931M1661-R1663 PolarHBondContact O-N 3.2Å; M1661-R1663 VanDerWaalsContact O-N 3.15Å; R1663-D1665 PolarHBondContact O-N 3.38Å; R1663-H1931 PolarHBondContact NH1-CD2 2.69Å; R1663-H1931 PolarHBondContact NH1-NE2 3.35Å
1664I55.3Low59.8Low121 Ų12171.6 Ų71.662%0.62138%0.383SS*.  trans-79.5106.4163.3-59.8173.3000105P1662 R1666 I1669P1662-I1664 PolarHBondContact O-N 3.48Å; P1662-I1664 VanDerWaalsContact O-N 3.11Å; I1664-R1666 PolarHBondContact O-N 2.93Å; I1664-I1669 HydrophobicContact CG2-CD1 3.32Å; I1664-I1669 HydrophobicContact CG2-CG1 4.39Å
1665D47.1Very low58Low70 Ų7075.9 Ų75.937%0.37442%0.415SS..  trans-69.5100.2178.1-135.6-26.3000108.4R1663 A1667 S1668R1663-D1665 PolarHBondContact O-N 3.38Å; D1665-A1667 PolarHBondContact O-N 2.86Å; D1665-A1667 VanDerWaalsContact O-N 3.11Å; D1665-S1668 PolarHBondContact O-N 3.13Å; D1665-S1668 PolarHBondContact O-OG 2.92Å
1666R39.1Very low56.3Low208 Ų20878 Ų7879%0.78544%0.437SS*.Hα-helixtrans-60.2-22.7-179.6-82.7-174.7170.8148.9-2.4111.9I1664 M1670I1664-R1666 PolarHBondContact O-N 2.93Å; R1666-M1670 PolarHBondContact O-N 2.89Å
1667A41.7Very low54.1Low67 Ų6785.2 Ų85.255%0.55447%0.47SS*.Hα-helixtrans-64.3-37.3173.700000112.4D1665 S1671D1665-A1667 PolarHBondContact O-N 2.86Å; D1665-A1667 VanDerWaalsContact O-N 3.11Å; A1667-S1671 WeakPolarHBondContact O-CB 3.37Å; A1667-S1671 PolarHBondContact O-N 3.47Å; A1667-S1671 PolarHBondContact O-OG 2.93Å
1668S41.2Very low52Low34 Ų3488.6 Ų88.624%0.23849%0.488CS..Hα-helixtrans-75.2-30.7179.570.60000112.9D1665 S1672D1665-S1668 PolarHBondContact O-N 3.13Å; D1665-S1668 PolarHBondContact O-OG 2.92Å; S1668-S1672 WeakPolarHBondContact O-CB 3.45Å; S1668-S1672 PolarHBondContact O-N 2.98Å; S1668-S1672 PolarHBondContact O-OG 2.87Å; S1668-S1672 VanDerWaalsContact O-OG 3.12Å
1669I40.6Very low50Low104 Ų10492.1 Ų92.153%0.53350%0.5SS..Hα-helixtrans-73.5-32.7177.9-61.1179.2000112.2I1664I1664-I1669 HydrophobicContact CG2-CD1 3.32Å; I1664-I1669 HydrophobicContact CG2-CG1 4.39Å
1670M37.9Very low48Very low169 Ų16995 Ų9583%0.83352%0.515SS*.Hα-helixtrans-89.8-20.6-179-77.2179.364.500114R1666R1666-M1670 PolarHBondContact O-N 2.89Å
1671S39Very low46.5Very low94 Ų9498.9 Ų98.966%0.65754%0.536SS*.Hα-helixtrans-93-18.8177.668.90000113.9A1667 V1673A1667-S1671 WeakPolarHBondContact O-CB 3.37Å; A1667-S1671 PolarHBondContact O-N 3.47Å; A1667-S1671 PolarHBondContact O-OG 2.93Å; S1671-V1673 PolarHBondContact O-N 3.47Å
1672S32.2Very low45.3Very low40 Ų40100 Ų10028%0.2854%0.543SS..  trans-84.384.5-176.973.20000112.7S1668S1668-S1672 WeakPolarHBondContact O-CB 3.45Å; S1668-S1672 PolarHBondContact O-N 2.98Å; S1668-S1672 PolarHBondContact O-OG 2.87Å; S1668-S1672 VanDerWaalsContact O-OG 3.12Å
1673V40.6Very low44.8Very low131 Ų13197.8 Ų97.879%0.79453%0.531SS*.  trans-79.8-5.5160.1-179.20000111.1S1671S1671-V1673 PolarHBondContact O-N 3.47Å
1674N40.1Very low45.8Very low108 Ų10894 Ų9458%0.57852%0.517SS*.SBendtrans-113118.4177.5-72-31.8000111.8G1676N1674-G1676 PolarHBondContact O-N 3.18Å
1675P37.9Very low47.3Very low125 Ų12589.9 Ų89.981%0.81250%0.498SS*.THydrogen-bonded Turntrans-64.45.9-180-19.830.7000116.3
1676G43.8Very low49.4Very low51 Ų5186.5 Ų86.553%0.52648%0.48SS..THydrogen-bonded Turntrans-96.7-29.1-17200000115.7N1674N1674-G1676 PolarHBondContact O-N 3.18Å
1677E38Very low51.9Low157 Ų15777.2 Ų77.273%0.73445%0.446SS*.G310 helixtrans-93.4-10.6-167.1-73.6176.7162.200114.4K1679E1677-K1679 PolarHBondContact O-N 3.16Å
1678L40.5Very low54.3Low83 Ų8374.1 Ų74.144%0.43542%0.419SS..G310 helixtrans-69.34.3175.6-97.2151.5000114.7
1679K44.1Very low56.7Low113 Ų11373.5 Ų73.549%0.49141%0.414SS..G310 helixtrans-83.5-21.7-170.8-78.9-177.7175176.80114.9E1677 F1802E1677-K1679 PolarHBondContact O-N 3.16Å; K1679-F1802 HydrophobicContact CB-CE1 4.35Å; K1679-F1802 HydrophobicContact CB-CZ 4.2Å; K1679-F1802 HydrophobicContact CD-CE2 4.31Å; K1679-F1802 VanDerWaalsContact O-CE1 3.31Å; K1679-F1802 WeakPolarHBondContact O-CE1 3.42Å
1680D45.5Very low59.1Low72 Ų7268.7 Ų68.739%0.38539%0.389SS..G310 helixtrans-81.8-16.3-172.2-88.7-28.3000115.6R1755 Q1867D1680-R1755 PolarHBondContact O-NH2 3.42Å; D1680-Q1867 PolarHBondContact OD1-NE2 3.11Å
1681D53.2Low61.5Low101 Ų10162.3 Ų62.354%0.5436%0.361SS..G310 helixtrans-91.2-0.7-176.9-84.8-20.4000115G1683D1681-G1683 VanDerWaalsContact C-N 3.3Å; D1681-G1683 PolarHBondContact O-N 2.7Å
1682L55.4Low63.6Low83 Ų8358.9 Ų58.944%0.43534%0.335SS..G310 helixtrans-79.9-6.3-174.9-72162.2000114.5
1683G64.4Low65.8Low12 Ų1258 Ų5812%0.12433%0.329CS..PPolyproline II helixtrans-80.7128.4-176.100000113.9D1681 P1753D1681-G1683 VanDerWaalsContact C-N 3.3Å; D1681-G1683 PolarHBondContact O-N 2.7Å; G1683-P1753 WeakPolarHBondContact CA-O 3.31Å
1684Q83.7Confident67.2Low30 Ų3060.2 Ų60.214%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-76.8143.8174.1-63.6-174.4-37.100110.4S1750 R1752 P1753 W1754 R1755Q1684-S1750 PolarHBondContact OE1-OG 3.17Å; Q1684-R1752 HydrophobicContact CG-CB 3.96Å; Q1684-P1753 PolarHBondContact N-O 2.73Å; Q1684-W1754 HydrophobicContact CB-CD2 4.17Å; Q1684-W1754 HydrophobicContact CB-CE3 3.55Å; Q1684-W1754 HydrophobicContact CB-CH2 4.24Å; Q1684-W1754 HydrophobicContact CB-CZ3 3.58Å; Q1684-W1754 CarbonylContact O-C 3.56Å; Q1684-W1754 VanDerWaalsContact O-CA 3.28Å; Q1684-W1754 WeakPolarHBondContact O-CA 3.36Å; Q1684-W1754 VanDerWaalsContact OE1-CH2 3.31Å; Q1684-R1755 PolarHBondContact O-N 3.08Å
1685V88.1Confident68.5Low35 Ų3558.9 Ų58.921%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-101.6132171.4-1680000110F1687 D1705 H1706 R1755 V1757V1685-F1687 HydrophobicContact CB-CE1 4.44Å; V1685-F1687 HydrophobicContact CB-CZ 4.26Å; V1685-F1687 HydrophobicContact CG1-CD1 4.19Å; V1685-F1687 HydrophobicContact CG1-CE1 3.49Å; V1685-F1687 VanDerWaalsContact CG1-CE1 3.49Å; V1685-F1687 HydrophobicContact CG1-CZ 3.76Å; V1685-D1705 CarbonylContact O-C 3.6Å; V1685-D1705 WeakPolarHBondContact O-CA 3.33Å; V1685-H1706 HydrophobicContact CB-CB 4.09Å; V1685-H1706 PolarHBondContact N-ND1 2.97Å; V1685-H1706 PolarHBondContact O-N 2.89Å; V1685-H1706 PolarHBondContact O-ND1 3.14Å; V1685-R1755 CarbonylContact C-O 3.58Å; V1685-R1755 VanDerWaalsContact CA-O 3.3Å; V1685-R1755 WeakPolarHBondContact CA-O 3.49Å; V1685-R1755 HydrophobicContact CG1-CB 4.44Å; V1685-R1755 HydrophobicContact CG2-CB 4.29Å; V1685-V1757 HydrophobicContact CG1-CG2 4.04Å
1686L91.3Very high70.5Confident0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-105.9126.1174.2-167.873.5000109.7V1703 V1743 I1746 L1747 W1754 R1755 V1757L1686-V1703 HydrophobicContact CD1-CG1 3.35Å; L1686-V1703 HydrophobicContact CD2-CG1 3.97Å; L1686-V1703 HydrophobicContact CG-CG1 3.67Å; L1686-V1743 HydrophobicContact CD2-CG1 4.16Å; L1686-I1746 HydrophobicContact CD1-CG2 4.09Å; L1686-I1746 HydrophobicContact CD2-CG2 4.44Å; L1686-L1747 HydrophobicContact CD2-CD2 3.8Å; L1686-L1747 HydrophobicContact CD2-CG 4.44Å; L1686-W1754 HydrophobicContact CB-CE3 3.78Å; L1686-W1754 HydrophobicContact CB-CZ3 3.97Å; L1686-W1754 HydrophobicContact CD1-CE3 4.37Å; L1686-W1754 HydrophobicContact CD1-CH2 4.16Å; L1686-W1754 HydrophobicContact CD1-CZ3 3.85Å; L1686-R1755 PolarHBondContact N-O 3.38Å; L1686-V1757 PolarHBondContact O-N 2.78Å
1687F91.1Very high72.2Confident13 Ų1352.4 Ų52.46%0.05726%0.26CS..EExtended strand (participates in β ladder)trans-104111.7174.8-59.6-53000109.4V1685 V1703 T1704 H1706 V1757 I1936V1685-F1687 HydrophobicContact CB-CE1 4.44Å; V1685-F1687 HydrophobicContact CB-CZ 4.26Å; V1685-F1687 HydrophobicContact CG1-CD1 4.19Å; V1685-F1687 HydrophobicContact CG1-CE1 3.49Å; V1685-F1687 VanDerWaalsContact CG1-CE1 3.49Å; V1685-F1687 HydrophobicContact CG1-CZ 3.76Å; F1687-V1703 CarbonylContact O-C 3.57Å; F1687-V1703 VanDerWaalsContact O-CA 3.24Å; F1687-V1703 WeakPolarHBondContact O-CA 3.45Å; F1687-T1704 HydrophobicContact CB-CG2 4.09Å; F1687-T1704 HydrophobicContact CD2-CG2 4.4Å; F1687-T1704 PolarHBondContact N-O 3.44Å; F1687-T1704 PolarHBondContact O-N 3.46Å; F1687-H1706 HydrophobicContact CE2-CB 3.98Å; F1687-H1706 HydrophobicContact CZ-CB 4.45Å; F1687-V1757 HydrophobicContact CD1-CB 3.87Å; F1687-V1757 HydrophobicContact CD1-CG2 4.17Å; F1687-V1757 HydrophobicContact CE1-CB 4.16Å; F1687-V1757 HydrophobicContact CE1-CG2 3.96Å; F1687-I1936 HydrophobicContact CD1-CB 4.48Å; F1687-I1936 HydrophobicContact CD1-CD1 3.96Å; F1687-I1936 HydrophobicContact CD1-CG1 3.37Å; F1687-I1936 HydrophobicContact CE1-CB 4.38Å; F1687-I1936 HydrophobicContact CE1-CD1 3.52Å; F1687-I1936 HydrophobicContact CE1-CG1 3.02Å; F1687-I1936 HydrophobicContact CE2-CG1 4.16Å; F1687-I1936 HydrophobicContact CG-CG1 4.15Å; F1687-I1936 HydrophobicContact CZ-CD1 4.27Å; F1687-I1936 HydrophobicContact CZ-CG1 3.46Å; F1687-I1936 VanDerWaalsContact CZ-CG1 3.46Å
1688L92.6Very high74.3Confident1 Ų146 Ų461%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-102.3138.6171.3166.565.3000108.4S1701 V1703 L1739 V1743 V1757 I1758 G1759 W1772L1688-S1701 WeakPolarHBondContact CD1-OG 3.21Å; L1688-V1703 HydrophobicContact CB-CG2 4.09Å; L1688-V1703 HydrophobicContact CD1-CG2 3.39Å; L1688-V1703 HydrophobicContact CG-CG2 4.33Å; L1688-L1739 HydrophobicContact CD1-CD1 4.2Å; L1688-L1739 HydrophobicContact CD2-CD2 4.41Å; L1688-L1739 HydrophobicContact CD2-CG 4.44Å; L1688-V1743 HydrophobicContact CD1-CG2 4.41Å; L1688-V1743 HydrophobicContact CD2-CG2 3.58Å; L1688-V1757 PolarHBondContact N-O 3.36Å; L1688-I1758 HydrophobicContact CD2-CB 4.35Å; L1688-I1758 HydrophobicContact CD2-CD1 4.25Å; L1688-I1758 HydrophobicContact CD2-CG1 4Å; L1688-I1758 HydrophobicContact CD2-CG2 3.84Å; L1688-I1758 HydrophobicContact CG-CG2 4.31Å; L1688-G1759 PolarHBondContact O-N 3.17Å; L1688-W1772 HydrophobicContact CD2-CH2 4.41Å
1689T90.2Very high76.6Confident22 Ų2242 Ų4214%0.13521%0.208CC..EExtended strand (participates in β ladder)trans-138.1139.4164.4-59.30000112S1701 T1702 G1759 F1761 F1940T1689-S1701 CarbonylContact O-C 3.59Å; T1689-S1701 VanDerWaalsContact O-CA 3.25Å; T1689-S1701 WeakPolarHBondContact O-CA 3.17Å; T1689-T1702 PolarHBondContact N-O 2.72Å; T1689-T1702 PolarHBondContact O-N 3.4Å; T1689-G1759 CarbonylContact C-O 3.53Å; T1689-G1759 WeakPolarHBondContact CA-O 3.15Å; T1689-G1759 WeakPolarHBondContact CG2-O 3.41Å; T1689-F1761 HydrophobicContact CG2-CB 4.32Å; T1689-F1940 VanDerWaalsContact CB-CE2 3.43Å; T1689-F1940 HydrophobicContact CG2-CE2 3.39Å; T1689-F1940 HydrophobicContact CG2-CZ 3.32Å; T1689-F1940 VanDerWaalsContact OG1-CE2 3.23Å; T1689-F1940 WeakPolarHBondContact OG1-CE2 3.41Å
1690Y90.9Very high78.8Confident2 Ų239.9 Ų39.91%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-134.7153.5-179.774.7-77.1000113.3L1699 L1700 L1736 L1739 I1758 G1759 R1760 F1761 E1768 W1772Y1690-L1699 HydrophobicContact CD2-CD1 4.01Å; Y1690-L1699 HydrophobicContact CD2-CD2 4.4Å; Y1690-L1699 HydrophobicContact CD2-CG 4.23Å; Y1690-L1700 CarbonylContact C-O 3.53Å; Y1690-L1700 WeakPolarHBondContact CA-O 3.37Å; Y1690-L1700 WeakPolarHBondContact CB-O 3.38Å; Y1690-L1736 HydrophobicContact CE2-CD2 4.17Å; Y1690-L1739 HydrophobicContact CD1-CD2 4.13Å; Y1690-L1739 HydrophobicContact CD2-CD2 4.3Å; Y1690-L1739 HydrophobicContact CG-CD2 3.91Å; Y1690-I1758 HydrophobicContact CD1-CG2 4.19Å; Y1690-I1758 HydrophobicContact CE1-CG2 3.88Å; Y1690-G1759 VanDerWaalsContact CD1-O 3.25Å; Y1690-G1759 WeakPolarHBondContact CD1-O 3.38Å; Y1690-G1759 PolarHBondContact N-O 3.02Å; Y1690-R1760 HydrophobicContact CE1-CB 3.74Å; Y1690-R1760 HydrophobicContact CE1-CG 4.32Å; Y1690-R1760 HydrophobicContact CE2-CG 4.25Å; Y1690-R1760 VanDerWaalsContact CZ-CD 3.44Å; Y1690-F1761 PolarHBondContact O-N 3.07Å; Y1690-E1768 WeakPolarHBondContact CE2-OE1 3.25Å; Y1690-E1768 PolarHBondContact OH-OE1 3.45Å; Y1690-W1772 HydrophobicContact CD1-CZ2 4.36Å; Y1690-W1772 AromaticContact CE1-CZ2 3.8Å; Y1690-W1772 HydrophobicContact CE1-CZ2 3.8Å; Y1690-W1772 AromaticContact CE1-NE1 3.98Å; Y1690-W1772 AromaticContact CZ-NE1 3.49Å; Y1690-W1772 PolarHBondContact OH-NE1 2.9Å
1691C88.6Confident80.9Confident36 Ų3636.7 Ų36.724%0.24319%0.185CC..EExtended strand (participates in β ladder)trans-145.8158175.274.90000111.6L1700 F1761C1691-L1700 PolarHBondContact N-O 3.41Å; C1691-L1700 PolarHBondContact O-N 2.98Å; C1691-F1761 HydrophobicContact CB-CB 3.94Å; C1691-F1761 HydrophobicContact CB-CD1 4.17Å; C1691-F1761 HydrophobicContact CB-CG 4.49Å
1692L83.5Confident82.6Confident21 Ų2134.8 Ų34.811%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-89.9139.9172.5-60.5-178000110.5F1112 Q1696 L1699 M1718F1112-L1692 HydrophobicContact CB-CD1 4.5Å; F1112-L1692 HydrophobicContact CD1-CD1 3.96Å; F1112-L1692 HydrophobicContact CD1-CD2 4.39Å; F1112-L1692 HydrophobicContact CD2-CD1 3.95Å; F1112-L1692 HydrophobicContact CE1-CD1 4.18Å; F1112-L1692 HydrophobicContact CE1-CD2 3.8Å; F1112-L1692 HydrophobicContact CE2-CD1 4.14Å; F1112-L1692 HydrophobicContact CE2-CD2 4.22Å; F1112-L1692 HydrophobicContact CG-CD1 3.86Å; F1112-L1692 HydrophobicContact CZ-CD1 4.27Å; F1112-L1692 HydrophobicContact CZ-CD2 3.71Å; L1692-Q1696 HydrophobicContact CB-CG 4.25Å; L1692-Q1696 HydrophobicContact CD1-CG 4.17Å; L1692-L1699 HydrophobicContact CD2-CB 4.14Å; L1692-L1699 HydrophobicContact CD2-CD1 4.19Å; L1692-L1699 HydrophobicContact CD2-CG 4.21Å; L1692-M1718 HydrophobicContact CD2-CE 3.99Å; L1692-M1718 HydrophobicContact CD2-SD 3.96Å
1693S79.2Confident84.3Confident21 Ų2130.9 Ų30.915%0.14716%0.157CC..  trans-61155.9165.856.20000111.4E1695 Q1696 Q1697 W1698S1693-E1695 VanDerWaalsContact C-N 3.29Å; S1693-E1695 PolarHBondContact O-N 2.75Å; S1693-Q1696 WeakPolarHBondContact O-CA 2.94Å; S1693-Q1696 PolarHBondContact O-N 2.81Å; S1693-Q1697 PolarHBondContact OG-N 2.83Å; S1693-W1698 VanDerWaalsContact CB-O 3.3Å; S1693-W1698 WeakPolarHBondContact CB-O 3.24Å; S1693-W1698 PolarHBondContact N-O 2.75Å; S1693-W1698 PolarHBondContact OG-N 2.95Å; S1693-W1698 PolarHBondContact OG-O 3.33Å
1694Y69.2Low85.5Confident179 Ų17931 Ų3170%0.70216%0.155SC*.THydrogen-bonded Turntrans-54.4-40.6-177.7179.2-101.6000113.8R1126 Q1696R1126-Y1694 PolarHBondContact NH1-O 3.26Å; Y1694-Q1696 VanDerWaalsContact C-N 3.33Å
1695E67.7Low85.7Confident79 Ų7929.6 Ų29.637%0.36915%0.149SC..THydrogen-bonded Turntrans-87.91176.7-61.9-165.4174.500113.8S1693 Q1697S1693-E1695 VanDerWaalsContact C-N 3.29Å; S1693-E1695 PolarHBondContact O-N 2.75Å; E1695-Q1697 HydrophobicContact CB-CG 4.08Å; E1695-Q1697 PolarHBondContact O-N 3.07Å; E1695-Q1697 PolarHBondContact OE2-NE2 3.49Å
1696Q79.4Confident85.5Confident11 Ų1129.9 Ų29.95%0.05115%0.148CC..SBendtrans51.640.6-177.7-61.1-177.96.500113.8V1111 Y1113 L1692 S1693 Y1694 M1718V1111-Q1696 PolarHBondContact O-NE2 3.3Å; Y1113-Q1696 VanDerWaalsContact CB-OE1 3.22Å; L1692-Q1696 HydrophobicContact CB-CG 4.25Å; L1692-Q1696 HydrophobicContact CD1-CG 4.17Å; S1693-Q1696 WeakPolarHBondContact O-CA 2.94Å; S1693-Q1696 PolarHBondContact O-N 2.81Å; Y1694-Q1696 VanDerWaalsContact C-N 3.33Å; Q1696-M1718 HydrophobicContact CB-CE 4.04Å; Q1696-M1718 WeakPolarHBondContact O-CE 3.31Å
1697Q79.5Confident85.2Confident29 Ų2931 Ų3114%0.13615%0.154CC..SBendtrans-95.7-25172.4-69.3-173.7-1000111.6S1693 E1695 N1717 M1718 I1719S1693-Q1697 PolarHBondContact OG-N 2.83Å; E1695-Q1697 HydrophobicContact CB-CG 4.08Å; E1695-Q1697 PolarHBondContact O-N 3.07Å; E1695-Q1697 PolarHBondContact OE2-NE2 3.49Å; Q1697-N1717 PolarHBondContact O-OD1 2.99Å; Q1697-M1718 WeakPolarHBondContact O-CA 3.33Å; Q1697-M1718 WeakPolarHBondContact O-CB 3.37Å; Q1697-M1718 PolarHBondContact O-N 2.92Å; Q1697-I1719 HydrophobicContact CB-CD1 3.81Å; Q1697-I1719 HydrophobicContact CB-CG1 3.6Å; Q1697-I1719 HydrophobicContact CG-CD1 3.83Å; Q1697-I1719 HydrophobicContact CG-CG1 3.75Å
1698W81.9Confident84.8Confident22 Ų2230.6 Ų30.68%0.08315%0.153CC..EExtended strand (participates in β ladder)trans-134.6133.4-172.5-27.3103.7000109.3C1138 V1142 S1693 L1700 V1715 I1716 N1717 I1719C1138-W1698 HydrophobicContact CB-CZ2 4.24Å; C1138-W1698 VanDerWaalsContact O-CZ2 3.3Å; C1138-W1698 WeakPolarHBondContact O-CZ2 3.24Å; V1142-W1698 HydrophobicContact CB-CD2 3.71Å; V1142-W1698 HydrophobicContact CB-CE3 3.51Å; V1142-W1698 HydrophobicContact CB-CH2 3.62Å; V1142-W1698 HydrophobicContact CB-CZ2 3.82Å; V1142-W1698 HydrophobicContact CB-CZ3 3.45Å; V1142-W1698 VanDerWaalsContact CB-CZ3 3.45Å; V1142-W1698 HydrophobicContact CG1-CD2 3.75Å; V1142-W1698 HydrophobicContact CG1-CE3 3.28Å; V1142-W1698 HydrophobicContact CG1-CG 4.39Å; V1142-W1698 HydrophobicContact CG1-CH2 4.29Å; V1142-W1698 HydrophobicContact CG1-CZ3 3.59Å; V1142-W1698 HydrophobicContact CG2-CD2 3.64Å; V1142-W1698 HydrophobicContact CG2-CE3 4Å; V1142-W1698 HydrophobicContact CG2-CG 4.07Å; V1142-W1698 HydrophobicContact CG2-CH2 4.25Å; V1142-W1698 HydrophobicContact CG2-CZ2 3.91Å; V1142-W1698 HydrophobicContact CG2-CZ3 4.28Å; S1693-W1698 VanDerWaalsContact CB-O 3.3Å; S1693-W1698 WeakPolarHBondContact CB-O 3.24Å; S1693-W1698 PolarHBondContact N-O 2.75Å; S1693-W1698 PolarHBondContact OG-N 2.95Å; S1693-W1698 PolarHBondContact OG-O 3.33Å; W1698-L1700 HydrophobicContact CB-CD2 4.48Å; W1698-V1715 HydrophobicContact CB-CG1 4.12Å; W1698-I1716 CarbonylContact C-O 3.6Å; W1698-I1716 WeakPolarHBondContact CA-O 3.47Å; W1698-N1717 HydrophobicContact CE3-CB 3.94Å; W1698-N1717 HydrophobicContact CZ3-CB 3.93Å; W1698-N1717 VanDerWaalsContact CZ3-OD1 3.29Å; W1698-N1717 WeakPolarHBondContact CZ3-OD1 3.24Å; W1698-I1719 HydrophobicContact CH2-CD1 3.27Å; W1698-I1719 HydrophobicContact CH2-CG1 4.15Å; W1698-I1719 HydrophobicContact CZ2-CD1 3.67Å; W1698-I1719 HydrophobicContact CZ3-CD1 3.82Å; W1698-I1719 HydrophobicContact CZ3-CG1 4.23Å
1699L89.6Confident84.2Confident0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-98.8126.2166.6-179.5158.8000108.1F1112 Y1690 L1692 V1715 I1716 M1718 A1735 L1736 L1739F1112-L1699 HydrophobicContact CZ-CD1 4.27Å; Y1690-L1699 HydrophobicContact CD2-CD1 4.01Å; Y1690-L1699 HydrophobicContact CD2-CD2 4.4Å; Y1690-L1699 HydrophobicContact CD2-CG 4.23Å; L1692-L1699 HydrophobicContact CD2-CB 4.14Å; L1692-L1699 HydrophobicContact CD2-CD1 4.19Å; L1692-L1699 HydrophobicContact CD2-CG 4.21Å; L1699-V1715 CarbonylContact O-C 3.53Å; L1699-V1715 WeakPolarHBondContact O-CA 3.05Å; L1699-I1716 HydrophobicContact CB-CB 4.26Å; L1699-I1716 HydrophobicContact CD2-CD1 4.17Å; L1699-I1716 PolarHBondContact N-O 3.47Å; L1699-I1716 PolarHBondContact O-N 3.28Å; L1699-M1718 HydrophobicContact CB-CG 4.35Å; L1699-M1718 HydrophobicContact CB-SD 3.81Å; L1699-A1735 HydrophobicContact CD1-CB 4.4Å; L1699-L1736 HydrophobicContact CD1-CD2 4.28Å; L1699-L1739 HydrophobicContact CD2-CD1 4.27Å; L1699-L1739 HydrophobicContact CD2-CD2 4.14Å
1700L89Confident83.8Confident68 Ų6833.9 Ų33.936%0.35617%0.173SC..EExtended strand (participates in β ladder)trans-105.1136.9-177.8-51176.5000108.6Y1690 C1691 W1698 V1715Y1690-L1700 CarbonylContact C-O 3.53Å; Y1690-L1700 WeakPolarHBondContact CA-O 3.37Å; Y1690-L1700 WeakPolarHBondContact CB-O 3.38Å; C1691-L1700 PolarHBondContact N-O 3.41Å; C1691-L1700 PolarHBondContact O-N 2.98Å; W1698-L1700 HydrophobicContact CB-CD2 4.48Å; L1700-V1715 HydrophobicContact CD2-CB 4.21Å; L1700-V1715 HydrophobicContact CD2-CG1 3.73Å; L1700-V1715 HydrophobicContact CD2-CG2 3.62Å
1701S90.7Very high83.4Confident5 Ų534.4 Ų34.44%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-143.6143.7179.7152.80000112.1L1688 T1689 S1713 C1714 L1739L1688-S1701 WeakPolarHBondContact CD1-OG 3.21Å; T1689-S1701 CarbonylContact O-C 3.59Å; T1689-S1701 VanDerWaalsContact O-CA 3.25Å; T1689-S1701 WeakPolarHBondContact O-CA 3.17Å; S1701-S1713 CarbonylContact O-C 3.6Å; S1701-S1713 VanDerWaalsContact O-CA 3.22Å; S1701-S1713 WeakPolarHBondContact O-CA 3.13Å; S1701-S1713 WeakPolarHBondContact O-CB 3.37Å; S1701-C1714 VanDerWaalsContact CB-SG 3.56Å; S1701-C1714 PolarHBondContact N-O 3.5Å; S1701-C1714 PolarHBondContact O-N 3.02Å; S1701-L1739 VanDerWaalsContact CB-CD1 3.5Å; S1701-L1739 WeakPolarHBondContact OG-CD1 3.43Å
1702T88.7Confident83.2Confident61 Ų6134.1 Ų34.137%0.37417%0.172SC..EExtended strand (participates in β ladder)trans-132.9141.5175.4-63.40000109.6T1689 L1711 D1712 S1713T1689-T1702 PolarHBondContact N-O 2.72Å; T1689-T1702 PolarHBondContact O-N 3.4Å; T1702-L1711 HydrophobicContact CG2-CD1 3.83Å; T1702-D1712 WeakPolarHBondContact CA-O 3.39Å; T1702-S1713 PolarHBondContact OG1-OG 2.96Å
1703V91Very high83.2Confident1 Ų134.4 Ų34.41%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-130.5137.7-178.4175.80000110.6L1686 F1687 L1688 L1711 D1712 F1742 I1746L1686-V1703 HydrophobicContact CD1-CG1 3.35Å; L1686-V1703 HydrophobicContact CD2-CG1 3.97Å; L1686-V1703 HydrophobicContact CG-CG1 3.67Å; F1687-V1703 CarbonylContact O-C 3.57Å; F1687-V1703 VanDerWaalsContact O-CA 3.24Å; F1687-V1703 WeakPolarHBondContact O-CA 3.45Å; L1688-V1703 HydrophobicContact CB-CG2 4.09Å; L1688-V1703 HydrophobicContact CD1-CG2 3.39Å; L1688-V1703 HydrophobicContact CG-CG2 4.33Å; V1703-L1711 WeakPolarHBondContact O-CA 3.31Å; V1703-D1712 PolarHBondContact N-O 3.24Å; V1703-D1712 PolarHBondContact O-N 3.21Å; V1703-F1742 HydrophobicContact CG2-CE1 3.71Å; V1703-F1742 HydrophobicContact CG2-CZ 4.41Å; V1703-I1746 HydrophobicContact CB-CD1 3.7Å; V1703-I1746 HydrophobicContact CG1-CD1 3.72Å; V1703-I1746 HydrophobicContact CG1-CG2 4.34Å; V1703-I1746 HydrophobicContact CG2-CD1 3.81Å
1704T89.2Confident83.4Confident14 Ų1434.2 Ų34.29%0.08617%0.174CC..EExtended strand (participates in β ladder)trans-144.3157.5172-167.90000110.9F1687 M1710 F1939F1687-T1704 HydrophobicContact CB-CG2 4.09Å; F1687-T1704 HydrophobicContact CD2-CG2 4.4Å; F1687-T1704 PolarHBondContact N-O 3.44Å; F1687-T1704 PolarHBondContact O-N 3.46Å; T1704-M1710 WeakPolarHBondContact CA-O 3.45Å; T1704-M1710 WeakPolarHBondContact CB-O 3.46Å; T1704-M1710 PolarHBondContact OG1-O 3.34Å; T1704-F1939 HydrophobicContact CG2-CB 4.46Å; T1704-F1939 HydrophobicContact CG2-CD1 3.72Å; T1704-F1939 HydrophobicContact CG2-CE1 4.31Å; T1704-F1939 HydrophobicContact CG2-CG 4.14Å
1705D88.2Confident84.2Confident1 Ų127.5 Ų27.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-89.5168.317371.8-33.7000111.4V1685 L1707 G1708 S1709 M1710 W1754V1685-D1705 CarbonylContact O-C 3.6Å; V1685-D1705 WeakPolarHBondContact O-CA 3.33Å; D1705-L1707 PolarHBondContact O-N 3.47Å; D1705-G1708 PolarHBondContact O-N 3.47Å; D1705-G1708 VanDerWaalsContact O-N 3.1Å; D1705-G1708 VanDerWaalsContact OD1-C 3.3Å; D1705-G1708 WeakPolarHBondContact OD1-CA 3.46Å; D1705-G1708 PolarHBondContact OD1-N 3.39Å; D1705-S1709 PolarHBondContact OD1-N 3.06Å; D1705-S1709 PolarHBondContact OD2-OG 3.01Å; D1705-M1710 PolarHBondContact OD1-N 3.04Å; D1705-W1754 HydrophobicContact CB-CZ3 4.4Å
1706H84.1Confident85.1Confident41 Ų4124.4 Ų24.419%0.1914%0.137CC..THydrogen-bonded Turntrans-59-13.1178.664.5-64.1000117.2V1685 F1687V1685-H1706 HydrophobicContact CB-CB 4.09Å; V1685-H1706 PolarHBondContact N-ND1 2.97Å; V1685-H1706 PolarHBondContact O-N 2.89Å; V1685-H1706 PolarHBondContact O-ND1 3.14Å; F1687-H1706 HydrophobicContact CE2-CB 3.98Å; F1687-H1706 HydrophobicContact CZ-CB 4.45Å
1707L85.3Confident85.3Confident25 Ų2525.6 Ų25.613%0.13114%0.144CC..THydrogen-bonded Turntrans-104.9-16.7176.6-57.9177000113.1L1660 P1662 D1705 S1709L1660-L1707 HydrophobicContact CB-CD2 4.44Å; L1660-L1707 PolarHBondContact N-O 3.2Å; P1662-L1707 HydrophobicContact CG-CD1 4.24Å; P1662-L1707 HydrophobicContact CG-CD2 4.37Å; D1705-L1707 PolarHBondContact O-N 3.47Å; L1707-S1709 VanDerWaalsContact C-N 3.29Å
1708G82.6Confident85.4Confident3 Ų324.8 Ų24.83%0.03114%0.141CC..SBendtrans71.322.8-16800000113.9D1705 F1939D1705-G1708 PolarHBondContact O-N 3.47Å; D1705-G1708 VanDerWaalsContact O-N 3.1Å; D1705-G1708 VanDerWaalsContact OD1-C 3.3Å; D1705-G1708 WeakPolarHBondContact OD1-CA 3.46Å; D1705-G1708 PolarHBondContact OD1-N 3.39Å; G1708-F1939 VanDerWaalsContact CA-CE1 3.4Å
1709S80.3Confident84.9Confident54 Ų5426.5 Ų26.538%0.37815%0.151SC..SBendtrans-74.1-17.3172.577.80000112.1F1654 D1705 L1707F1654-S1709 WeakPolarHBondContact CD1-O 3.34Å; D1705-S1709 PolarHBondContact OD1-N 3.06Å; D1705-S1709 PolarHBondContact OD2-OG 3.01Å; L1707-S1709 VanDerWaalsContact C-N 3.29Å
1710M82.3Confident83.5Confident39 Ų3929.2 Ų29.219%0.19217%0.165CC..  trans-130.1141.4177.6-170.3-167.6-39.100110.9T1704 D1705 I1746 W1754T1704-M1710 WeakPolarHBondContact CA-O 3.45Å; T1704-M1710 WeakPolarHBondContact CB-O 3.46Å; T1704-M1710 PolarHBondContact OG1-O 3.34Å; D1705-M1710 PolarHBondContact OD1-N 3.04Å; M1710-I1746 HydrophobicContact CE-CG2 4.44Å; M1710-I1746 HydrophobicContact SD-CG2 3.56Å; M1710-I1746 VanDerWaalsContact SD-CG2 3.56Å; M1710-W1754 HydrophobicContact CE-CH2 3.84Å; M1710-W1754 HydrophobicContact CE-CZ2 4.24Å
1711L82.4Confident81.6Confident12 Ų1232.9 Ų32.96%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-143.9124.7170-17770.5000108.7T1155 F1654 T1702 V1703 F1943T1155-L1711 HydrophobicContact CG2-CD2 4.15Å; F1654-L1711 HydrophobicContact CD1-CB 4.17Å; F1654-L1711 HydrophobicContact CD2-CB 4.05Å; F1654-L1711 HydrophobicContact CE1-CB 4Å; F1654-L1711 HydrophobicContact CE2-CB 3.91Å; F1654-L1711 HydrophobicContact CE2-CD2 4.03Å; F1654-L1711 HydrophobicContact CG-CB 4.19Å; F1654-L1711 HydrophobicContact CZ-CB 3.88Å; F1654-L1711 HydrophobicContact CZ-CD2 4.2Å; T1702-L1711 HydrophobicContact CG2-CD1 3.83Å; V1703-L1711 WeakPolarHBondContact O-CA 3.31Å; L1711-F1943 HydrophobicContact CD2-CD1 3.86Å; L1711-F1943 HydrophobicContact CD2-CE1 3.64Å
1712D83.1Confident79.6Confident31 Ų3136.9 Ų36.917%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-137.4159.8171.5-151.5-15.3000110.4R1652 T1702 V1703 F1742 I1746R1652-D1712 IonicContact NH1-OD1 3.44Å; T1702-D1712 WeakPolarHBondContact CA-O 3.39Å; V1703-D1712 PolarHBondContact N-O 3.24Å; V1703-D1712 PolarHBondContact O-N 3.21Å; D1712-F1742 HydrophobicContact CB-CZ 4.24Å; D1712-I1746 HydrophobicContact CB-CD1 4.14Å
1713S83Confident77.7Confident27 Ų2742 Ų4219%0.18922%0.218CC..EExtended strand (participates in β ladder)trans-146.7146.5-179.9-67.10000111.2S1701 T1702S1701-S1713 CarbonylContact O-C 3.6Å; S1701-S1713 VanDerWaalsContact O-CA 3.22Å; S1701-S1713 WeakPolarHBondContact O-CA 3.13Å; S1701-S1713 WeakPolarHBondContact O-CB 3.37Å; T1702-S1713 PolarHBondContact OG1-OG 2.96Å
1714C83.6Confident75.6Confident16 Ų1649.4 Ų49.411%0.10825%0.25CS..EExtended strand (participates in β ladder)trans-136.3150.3178.174.70000111.9S1701 F1742S1701-C1714 VanDerWaalsContact CB-SG 3.56Å; S1701-C1714 PolarHBondContact N-O 3.5Å; S1701-C1714 PolarHBondContact O-N 3.02Å; C1714-F1742 HydrophobicContact CB-CD1 4.08Å; C1714-F1742 HydrophobicContact CB-CD2 3.78Å; C1714-F1742 HydrophobicContact CB-CE1 3.97Å; C1714-F1742 HydrophobicContact CB-CE2 3.68Å; C1714-F1742 HydrophobicContact CB-CG 3.96Å; C1714-F1742 HydrophobicContact CB-CZ 3.74Å; C1714-F1742 WeakPolarHBondContact SG-CD1 3.33Å; C1714-F1742 WeakPolarHBondContact SG-CE1 3.4Å
1715V86.4Confident73.4Confident38 Ų3855.6 Ų55.623%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-125.6118.5174.6177.70000108.7V1142 V1145 W1698 L1699 L1700V1142-V1715 HydrophobicContact CG1-CG1 3.9Å; V1145-V1715 HydrophobicContact CG1-CB 3.62Å; V1145-V1715 HydrophobicContact CG1-CG1 3.74Å; V1145-V1715 HydrophobicContact CG1-CG2 3.54Å; W1698-V1715 HydrophobicContact CB-CG1 4.12Å; L1699-V1715 CarbonylContact O-C 3.53Å; L1699-V1715 WeakPolarHBondContact O-CA 3.05Å; L1700-V1715 HydrophobicContact CD2-CB 4.21Å; L1700-V1715 HydrophobicContact CD2-CG1 3.73Å; L1700-V1715 HydrophobicContact CD2-CG2 3.62Å
1716I86.2Confident71.5Confident15 Ų1557.7 Ų57.78%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-105.5119.1-174.9-56.7-179.8000108.8W1698 L1699 R1738 L1739W1698-I1716 CarbonylContact C-O 3.6Å; W1698-I1716 WeakPolarHBondContact CA-O 3.47Å; L1699-I1716 HydrophobicContact CB-CB 4.26Å; L1699-I1716 HydrophobicContact CD2-CD1 4.17Å; L1699-I1716 PolarHBondContact N-O 3.47Å; L1699-I1716 PolarHBondContact O-N 3.28Å; I1716-R1738 HydrophobicContact CD1-CB 3.92Å; I1716-R1738 HydrophobicContact CG2-CB 4.04Å; I1716-L1739 HydrophobicContact CD1-CB 3.72Å; I1716-L1739 HydrophobicContact CD1-CD1 4.27Å
1717N83.4Confident70.1Confident36 Ų3660.3 Ų60.319%0.19331%0.314CS..EExtended strand (participates in β ladder)trans-74.4125173.8-178.83.5000110.9R1146 Q1697 W1698 I1719 R1738R1146-N1717 PolarHBondContact NH1-ND2 2.89Å; Q1697-N1717 PolarHBondContact O-OD1 2.99Å; W1698-N1717 HydrophobicContact CE3-CB 3.94Å; W1698-N1717 HydrophobicContact CZ3-CB 3.93Å; W1698-N1717 VanDerWaalsContact CZ3-OD1 3.29Å; W1698-N1717 WeakPolarHBondContact CZ3-OD1 3.24Å; N1717-I1719 WeakPolarHBondContact OD1-CA 3.34Å; N1717-I1719 VanDerWaalsContact OD1-CB 3.3Å; N1717-I1719 WeakPolarHBondContact OD1-CB 2.81Å; N1717-I1719 WeakPolarHBondContact OD1-CG1 3.29Å; N1717-I1719 PolarHBondContact OD1-N 3.33Å; N1717-R1738 PolarHBondContact O-NH1 2.78Å; N1717-R1738 VanDerWaalsContact O-NH1 3.09Å
1718M81.5Confident68.9Low12 Ų1263.8 Ų63.86%0.05933%0.33CS..  trans-106.8-3.6178.1-45.9-166.9-3800113.1F1112 L1692 Q1696 Q1697 L1699 L1720 V1731 A1735F1112-M1718 HydrophobicContact CD1-CE 4.26Å; F1112-M1718 HydrophobicContact CE1-CE 3.93Å; F1112-M1718 HydrophobicContact CE1-SD 3.65Å; F1112-M1718 HydrophobicContact CZ-SD 4.4Å; L1692-M1718 HydrophobicContact CD2-CE 3.99Å; L1692-M1718 HydrophobicContact CD2-SD 3.96Å; Q1696-M1718 HydrophobicContact CB-CE 4.04Å; Q1696-M1718 WeakPolarHBondContact O-CE 3.31Å; Q1697-M1718 WeakPolarHBondContact O-CA 3.33Å; Q1697-M1718 WeakPolarHBondContact O-CB 3.37Å; Q1697-M1718 PolarHBondContact O-N 2.92Å; L1699-M1718 HydrophobicContact CB-CG 4.35Å; L1699-M1718 HydrophobicContact CB-SD 3.81Å; M1718-L1720 PolarHBondContact O-N 2.89Å; M1718-L1720 VanDerWaalsContact O-N 3.14Å; M1718-V1731 HydrophobicContact CB-CG1 4.31Å; M1718-A1735 HydrophobicContact CG-CB 4.2Å; M1718-A1735 HydrophobicContact SD-CB 3.94Å
1719I73Confident68.1Low58 Ų5869.2 Ų69.230%0.29735%0.35SS..  trans-68.7108.8172.9-51.3179.9000109Q1697 W1698 N1717Q1697-I1719 HydrophobicContact CB-CD1 3.81Å; Q1697-I1719 HydrophobicContact CB-CG1 3.6Å; Q1697-I1719 HydrophobicContact CG-CD1 3.83Å; Q1697-I1719 HydrophobicContact CG-CG1 3.75Å; W1698-I1719 HydrophobicContact CH2-CD1 3.27Å; W1698-I1719 HydrophobicContact CH2-CG1 4.15Å; W1698-I1719 HydrophobicContact CZ2-CD1 3.67Å; W1698-I1719 HydrophobicContact CZ3-CD1 3.82Å; W1698-I1719 HydrophobicContact CZ3-CG1 4.23Å; N1717-I1719 WeakPolarHBondContact OD1-CA 3.34Å; N1717-I1719 VanDerWaalsContact OD1-CB 3.3Å; N1717-I1719 WeakPolarHBondContact OD1-CB 2.81Å; N1717-I1719 WeakPolarHBondContact OD1-CG1 3.29Å; N1717-I1719 PolarHBondContact OD1-N 3.33Å
1720L60.5Low67.9Low56 Ų5669.6 Ų69.629%0.29335%0.345SS..  trans-89.8145.3170.6-62.6-179.3000111.3M1718 D1722 V1726 V1731M1718-L1720 PolarHBondContact O-N 2.89Å; M1718-L1720 VanDerWaalsContact O-N 3.14Å; L1720-D1722 PolarHBondContact O-N 3.01Å; L1720-V1726 HydrophobicContact CD1-CB 4.43Å; L1720-V1726 HydrophobicContact CD1-CG1 3.88Å; L1720-V1726 HydrophobicContact CD1-CG2 4.12Å; L1720-V1731 HydrophobicContact CD1-CG2 3.61Å; L1720-V1731 HydrophobicContact CG-CG2 4.43Å
1721N48.7Very low67.9Low146 Ų14668.7 Ų68.778%0.78134%0.342SS*.SBendtrans-72.4100.7-175-69.2-42.2000111.3
1722D47.3Very low68.3Low88 Ų8868.1 Ų68.147%0.47134%0.339SS..  trans64.3103.8-179.9-159.7-2.3000115.4L1720 K1724L1720-D1722 PolarHBondContact O-N 3.01Å; D1722-K1724 PolarHBondContact O-N 3.21Å; D1722-K1724 WeakPolarHBondContact OD1-CG 3.33Å; D1722-K1724 IonicContact OD1-NZ 2.68Å; D1722-K1724 PolarHBondContact OD1-NZ 3.35Å; D1722-K1724 IonicContact OD2-NZ 3.52Å; D1722-K1724 PolarHBondContact OD2-NZ 3.33Å
1723R48.4Very low68.6Low169 Ų16969.9 Ų69.964%0.63834%0.343SS*.THydrogen-bonded Turntrans-68.613.2-176.3-62.4-178.2176.6-173.4-4115.1N1725R1723-N1725 VanDerWaalsContact C-N 3.33Å
1724K47.9Very low68.9Low157 Ų15771.2 Ų71.268%0.68335%0.35SS*.THydrogen-bonded Turntrans-75.9-19.2174.3-69.5175.2-166.975.70113.7D1722D1722-K1724 PolarHBondContact O-N 3.21Å; D1722-K1724 WeakPolarHBondContact OD1-CG 3.33Å; D1722-K1724 IonicContact OD1-NZ 2.68Å; D1722-K1724 PolarHBondContact OD1-NZ 3.35Å; D1722-K1724 IonicContact OD2-NZ 3.52Å; D1722-K1724 PolarHBondContact OD2-NZ 3.33Å
1725N42.2Very low69.2Low143 Ų14370.6 Ų70.677%0.76535%0.346SS*.SBendtrans-134.328.6-161.9-75.296000114.5R1723R1723-N1725 VanDerWaalsContact C-N 3.33Å
1726V50Low69.6Low46 Ų4668.8 Ų68.828%0.27934%0.335SS..SBendtrans-136128.3177.2-1760000109.8L1720 Q1728 E1730L1720-V1726 HydrophobicContact CD1-CB 4.43Å; L1720-V1726 HydrophobicContact CD1-CG1 3.88Å; L1720-V1726 HydrophobicContact CD1-CG2 4.12Å; V1726-Q1728 PolarHBondContact O-N 3.39Å; V1726-Q1728 VanDerWaalsContact O-N 3.12Å; V1726-E1730 HydrophobicContact CG1-CB 4.1Å; V1726-E1730 HydrophobicContact CG1-CG 4.45Å
1727V52.9Low69.9Low96 Ų9673.2 Ų73.258%0.58235%0.351SS*.  trans-62.8113.9167.9178.30000106.2R1729 E1730V1727-R1729 PolarHBondContact O-N 2.67Å; V1727-E1730 HydrophobicContact CB-CG 4.29Å; V1727-E1730 WeakPolarHBondContact O-CG 3.23Å; V1727-E1730 PolarHBondContact O-N 3.5Å
1728Q60.6Low70.3Confident97 Ų9776.6 Ų76.645%0.45336%0.361SS..THydrogen-bonded Turntrans-46.3-35.6-167.6-80.7178-11.800113.8E1114 V1726 E1730 V1731E1114-Q1728 HydrophobicContact CG-CB 3.65Å; E1114-Q1728 HydrophobicContact CG-CG 4.48Å; E1114-Q1728 WeakPolarHBondContact CG-O 3.5Å; V1726-Q1728 PolarHBondContact O-N 3.39Å; V1726-Q1728 VanDerWaalsContact O-N 3.12Å; Q1728-E1730 VanDerWaalsContact C-N 3.3Å; Q1728-E1730 PolarHBondContact O-N 2.83Å; Q1728-V1731 WeakPolarHBondContact O-CG2 3.45Å; Q1728-V1731 PolarHBondContact O-N 3.25Å
1729R67.2Low71Confident118 Ų11876 Ų7645%0.44536%0.358SS..THydrogen-bonded Turntrans-59.5-28178.4-64.1-176178163.6-1.4115.4D1118 V1727 V1731 I1732 E1767D1118-R1729 IonicContact OD1-NH2 3.21Å; D1118-R1729 IonicContact OD2-CZ 2.75Å; D1118-R1729 IonicContact OD2-NE 2.75Å; D1118-R1729 PolarHBondContact OD2-NE 3.22Å; D1118-R1729 IonicContact OD2-NH2 3.56Å; D1118-R1729 PolarHBondContact OD2-NH2 2.9Å; V1727-R1729 PolarHBondContact O-N 2.67Å; R1729-V1731 PolarHBondContact O-N 3.04Å; R1729-V1731 VanDerWaalsContact O-N 3.17Å; R1729-I1732 PolarHBondContact O-N 3.44Å; R1729-E1767 HydrophobicContact CG-CG 4.47Å
1730E75.6Confident72Confident62 Ų6274 Ų7429%0.2935%0.347SS..Hα-helixtrans-63.9-24.2-177.9-57.2-171.2177.500113.3V1726 V1727 Q1728 T1734 M1893V1726-E1730 HydrophobicContact CG1-CB 4.1Å; V1726-E1730 HydrophobicContact CG1-CG 4.45Å; V1727-E1730 HydrophobicContact CB-CG 4.29Å; V1727-E1730 WeakPolarHBondContact O-CG 3.23Å; V1727-E1730 PolarHBondContact O-N 3.5Å; Q1728-E1730 VanDerWaalsContact C-N 3.3Å; Q1728-E1730 PolarHBondContact O-N 2.83Å; E1730-T1734 VanDerWaalsContact O-CB 3.29Å; E1730-T1734 WeakPolarHBondContact O-CB 3.42Å; E1730-T1734 PolarHBondContact O-N 2.87Å; E1730-T1734 PolarHBondContact O-OG1 3.11Å; E1730-M1893 HydrophobicContact CB-CE 4.36Å; E1730-M1893 HydrophobicContact CG-CE 3.38Å; E1730-M1893 HydrophobicContact CG-SD 4.46Å; E1730-M1893 WeakPolarHBondContact OE1-CE 3.2Å
1731V82.7Confident73.5Confident20 Ų2075 Ų7512%0.12135%0.352CS..Hα-helixtrans-62.2-48.1-179.21800000110.6M1718 L1720 Q1728 R1729 T1734 A1735M1718-V1731 HydrophobicContact CB-CG1 4.31Å; L1720-V1731 HydrophobicContact CD1-CG2 3.61Å; L1720-V1731 HydrophobicContact CG-CG2 4.43Å; Q1728-V1731 WeakPolarHBondContact O-CG2 3.45Å; Q1728-V1731 PolarHBondContact O-N 3.25Å; R1729-V1731 PolarHBondContact O-N 3.04Å; R1729-V1731 VanDerWaalsContact O-N 3.17Å; V1731-T1734 PolarHBondContact O-N 3.3Å; V1731-A1735 WeakPolarHBondContact O-CB 3.5Å; V1731-A1735 PolarHBondContact O-N 3.47Å
1732I89.2Confident75.5Confident0 Ų070 Ų700%032%0.324CS..Hα-helixtrans-60.2-53.8-177.6-58.7179.2000109.5F1112 E1114 R1729 T1734 A1735 L1736 E1767 E1768F1112-I1732 HydrophobicContact CB-CD1 3.66Å; F1112-I1732 HydrophobicContact CB-CG1 3.87Å; F1112-I1732 HydrophobicContact CD1-CD1 4.47Å; F1112-I1732 HydrophobicContact CD1-CG1 3.73Å; F1112-I1732 HydrophobicContact CD2-CD1 4.41Å; F1112-I1732 HydrophobicContact CD2-CG1 4.26Å; F1112-I1732 HydrophobicContact CD2-CG2 4.14Å; F1112-I1732 HydrophobicContact CE1-CG1 4.27Å; F1112-I1732 HydrophobicContact CE2-CG2 4.08Å; F1112-I1732 HydrophobicContact CG-CD1 3.96Å; F1112-I1732 HydrophobicContact CG-CG1 3.7Å; F1112-I1732 HydrophobicContact CG-CG2 4.42Å; F1112-I1732 HydrophobicContact CZ-CG2 4.29Å; E1114-I1732 HydrophobicContact CB-CD1 4.05Å; R1729-I1732 PolarHBondContact O-N 3.44Å; I1732-T1734 VanDerWaalsContact C-N 3.32Å; I1732-T1734 PolarHBondContact O-N 3.35Å; I1732-A1735 PolarHBondContact O-N 3.2Å; I1732-L1736 HydrophobicContact CG2-CD1 3.95Å; I1732-L1736 HydrophobicContact CG2-CG 4.47Å; I1732-L1736 WeakPolarHBondContact O-CG 3.42Å; I1732-L1736 PolarHBondContact O-N 3.45Å; I1732-E1767 HydrophobicContact CD1-CB 3.82Å; I1732-E1768 HydrophobicContact CG2-CB 4.22Å
1733W89.9Confident77.7Confident68 Ų6865.8 Ų65.826%0.25830%0.301SS..Hα-helixtrans-58.9-43.2-179.9-73.782.9000112.2R1737 K1770 A1771 H1774W1733-R1737 WeakPolarHBondContact O-CB 3.33Å; W1733-R1737 PolarHBondContact O-N 3.41Å; W1733-K1770 HydrophobicContact CZ2-CB 4.35Å; W1733-A1771 HydrophobicContact CD2-CB 3.78Å; W1733-A1771 HydrophobicContact CE3-CB 3.93Å; W1733-A1771 HydrophobicContact CG-CB 4.29Å; W1733-A1771 HydrophobicContact CH2-CB 4.31Å; W1733-A1771 HydrophobicContact CZ2-CB 4.15Å; W1733-A1771 HydrophobicContact CZ3-CB 4.2Å; W1733-H1774 HydrophobicContact CH2-CB 3.82Å; W1733-H1774 HydrophobicContact CZ3-CB 3.76Å; W1733-H1774 AromaticContact CZ3-CD2 3.95Å; W1733-H1774 AromaticContact CZ3-CG 3.87Å
1734T89.1Confident79.7Confident55 Ų5558.7 Ų58.734%0.33728%0.277SS..Hα-helixtrans-65.5-42178-57.60000111.8E1730 V1731 I1732 R1738E1730-T1734 VanDerWaalsContact O-CB 3.29Å; E1730-T1734 WeakPolarHBondContact O-CB 3.42Å; E1730-T1734 PolarHBondContact O-N 2.87Å; E1730-T1734 PolarHBondContact O-OG1 3.11Å; V1731-T1734 PolarHBondContact O-N 3.3Å; I1732-T1734 VanDerWaalsContact C-N 3.32Å; I1732-T1734 PolarHBondContact O-N 3.35Å; T1734-R1738 WeakPolarHBondContact O-CG 3.41Å; T1734-R1738 PolarHBondContact O-N 2.93Å; T1734-R1738 VanDerWaalsContact O-N 3.08Å
1735A91.3Very high81.5Confident3 Ų352.8 Ų52.83%0.02526%0.261CS..Hα-helixtrans-64.5-47179.200000111.5L1699 M1718 V1731 I1732 R1738 L1739L1699-A1735 HydrophobicContact CD1-CB 4.4Å; M1718-A1735 HydrophobicContact CG-CB 4.2Å; M1718-A1735 HydrophobicContact SD-CB 3.94Å; V1731-A1735 WeakPolarHBondContact O-CB 3.5Å; V1731-A1735 PolarHBondContact O-N 3.47Å; I1732-A1735 PolarHBondContact O-N 3.2Å; A1735-R1738 PolarHBondContact O-N 3.46Å; A1735-L1739 PolarHBondContact O-N 3.24Å
1736L93.7Very high83.6Confident0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-69.7-34.4179.4-64.2178.7000112.6Y1690 L1699 I1732 L1739 W1740 E1768 A1771 W1772 L1775Y1690-L1736 HydrophobicContact CE2-CD2 4.17Å; L1699-L1736 HydrophobicContact CD1-CD2 4.28Å; I1732-L1736 HydrophobicContact CG2-CD1 3.95Å; I1732-L1736 HydrophobicContact CG2-CG 4.47Å; I1732-L1736 WeakPolarHBondContact O-CG 3.42Å; I1732-L1736 PolarHBondContact O-N 3.45Å; L1736-L1739 HydrophobicContact CD2-CD2 4.48Å; L1736-L1739 WeakPolarHBondContact O-CB 3.35Å; L1736-L1739 PolarHBondContact O-N 3.3Å; L1736-W1740 PolarHBondContact O-N 3Å; L1736-E1768 HydrophobicContact CD1-CG 4.11Å; L1736-A1771 HydrophobicContact CD1-CB 3.57Å; L1736-W1772 HydrophobicContact CD2-CZ2 3.81Å; L1736-L1775 HydrophobicContact CB-CD1 4.1Å
1737R92.1Very high85.4Confident108 Ų10844 Ų4441%0.40821%0.212SC..Hα-helixtrans-63.4-44.3172.9-173.5170.3-178.4161.82.7111.9W1733 L1739 W1740 D1741 F1885W1733-R1737 WeakPolarHBondContact O-CB 3.33Å; W1733-R1737 PolarHBondContact O-N 3.41Å; R1737-L1739 VanDerWaalsContact C-N 3.25Å; R1737-L1739 PolarHBondContact O-N 3.45Å; R1737-W1740 WeakPolarHBondContact O-CB 3.41Å; R1737-W1740 PolarHBondContact O-N 2.87Å; R1737-W1740 VanDerWaalsContact O-N 3.15Å; R1737-D1741 VanDerWaalsContact O-CG 3.29Å; R1737-D1741 PolarHBondContact O-N 3.34Å; R1737-F1885 VanDerWaalsContact NH2-CE1 3.32Å; R1737-F1885 VanDerWaalsContact NH2-CZ 3.27Å
1738R93Very high86.9Confident106 Ų10641.2 Ų41.240%0.420%0.199SC..Hα-helixtrans-61.9-34.9173.8-73176.4-179.7173.94.7112.3I1716 N1717 T1734 A1735 F1742I1716-R1738 HydrophobicContact CD1-CB 3.92Å; I1716-R1738 HydrophobicContact CG2-CB 4.04Å; N1717-R1738 PolarHBondContact O-NH1 2.78Å; N1717-R1738 VanDerWaalsContact O-NH1 3.09Å; T1734-R1738 WeakPolarHBondContact O-CG 3.41Å; T1734-R1738 PolarHBondContact O-N 2.93Å; T1734-R1738 VanDerWaalsContact O-N 3.08Å; A1735-R1738 PolarHBondContact O-N 3.46Å; R1738-F1742 PolarHBondContact O-N 2.95Å
1739L95Very high87.7Confident0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-66.6-43.9174.1-179.661.5000110.9L1688 Y1690 L1699 S1701 I1716 A1735 L1736 R1737 F1742 V1743 W1772L1688-L1739 HydrophobicContact CD1-CD1 4.2Å; L1688-L1739 HydrophobicContact CD2-CD2 4.41Å; L1688-L1739 HydrophobicContact CD2-CG 4.44Å; Y1690-L1739 HydrophobicContact CD1-CD2 4.13Å; Y1690-L1739 HydrophobicContact CD2-CD2 4.3Å; Y1690-L1739 HydrophobicContact CG-CD2 3.91Å; L1699-L1739 HydrophobicContact CD2-CD1 4.27Å; L1699-L1739 HydrophobicContact CD2-CD2 4.14Å; S1701-L1739 VanDerWaalsContact CB-CD1 3.5Å; S1701-L1739 WeakPolarHBondContact OG-CD1 3.43Å; I1716-L1739 HydrophobicContact CD1-CB 3.72Å; I1716-L1739 HydrophobicContact CD1-CD1 4.27Å; A1735-L1739 PolarHBondContact O-N 3.24Å; L1736-L1739 HydrophobicContact CD2-CD2 4.48Å; L1736-L1739 WeakPolarHBondContact O-CB 3.35Å; L1736-L1739 PolarHBondContact O-N 3.3Å; R1737-L1739 VanDerWaalsContact C-N 3.25Å; R1737-L1739 PolarHBondContact O-N 3.45Å; L1739-F1742 HydrophobicContact CD1-CD1 4.25Å; L1739-F1742 WeakPolarHBondContact O-CB 3.44Å; L1739-F1742 PolarHBondContact O-N 3.48Å; L1739-V1743 WeakPolarHBondContact O-CG2 3.47Å; L1739-V1743 PolarHBondContact O-N 3.36Å; L1739-W1772 HydrophobicContact CD2-CH2 3.89Å; L1739-W1772 HydrophobicContact CD2-CZ2 3.75Å; L1739-W1772 HydrophobicContact CG-CH2 4.41Å
1740W94.2Very high88.2Confident15 Ų1537 Ų376%0.05720%0.195CC..Hα-helixtrans-61.8-42.4175.4-172.5-112.5000112.2L1736 R1737 F1742 V1743 V1744 I1756 I1758 W1772 L1775 L1776 L1781 T1784 I1807L1736-W1740 PolarHBondContact O-N 3Å; R1737-W1740 WeakPolarHBondContact O-CB 3.41Å; R1737-W1740 PolarHBondContact O-N 2.87Å; R1737-W1740 VanDerWaalsContact O-N 3.15Å; W1740-F1742 VanDerWaalsContact C-N 3.27Å; W1740-F1742 PolarHBondContact O-N 3.06Å; W1740-V1743 HydrophobicContact CE3-CB 4.3Å; W1740-V1743 HydrophobicContact CE3-CG1 4.32Å; W1740-V1743 HydrophobicContact CZ3-CG1 4.16Å; W1740-V1743 WeakPolarHBondContact O-CA 3.21Å; W1740-V1743 WeakPolarHBondContact O-CB 3.15Å; W1740-V1743 PolarHBondContact O-N 2.87Å; W1740-V1744 HydrophobicContact CD2-CG2 4.41Å; W1740-V1744 HydrophobicContact CG-CG2 4.47Å; W1740-V1744 HydrophobicContact CZ2-CG2 4.41Å; W1740-V1744 WeakPolarHBondContact O-CG2 3.36Å; W1740-V1744 PolarHBondContact O-N 2.93Å; W1740-I1756 HydrophobicContact CH2-CD1 3.93Å; W1740-I1756 HydrophobicContact CZ3-CD1 4.28Å; W1740-I1758 HydrophobicContact CZ3-CD1 4.29Å; W1740-W1772 HydrophobicContact CE3-CZ3 4.21Å; W1740-L1775 HydrophobicContact CB-CD1 4.35Å; W1740-L1775 HydrophobicContact CG-CD2 4.44Å; W1740-L1776 HydrophobicContact CE3-CD2 4.48Å; W1740-L1776 HydrophobicContact CH2-CD2 3.91Å; W1740-L1776 HydrophobicContact CZ3-CD2 3.75Å; W1740-L1781 HydrophobicContact CH2-CD2 3.77Å; W1740-L1781 HydrophobicContact CZ2-CD2 3.84Å; W1740-T1784 HydrophobicContact CZ2-CG2 4.36Å; W1740-I1807 HydrophobicContact CH2-CD1 4.18Å; W1740-I1807 HydrophobicContact CZ2-CD1 4.1Å
1741D91.7Very high88.2Confident77 Ų7737.5 Ų37.541%0.41221%0.205SC..Hα-helixtrans-58.6-40.1175.2-66.3-28.7000111.7R1737 V1744 G1745R1737-D1741 VanDerWaalsContact O-CG 3.29Å; R1737-D1741 PolarHBondContact O-N 3.34Å; D1741-V1744 PolarHBondContact O-N 3.32Å; D1741-G1745 PolarHBondContact O-N 3.12Å
1742F91.6Very high88.1Confident41 Ų4142.7 Ų42.718%0.1822%0.222CC..Hα-helixtrans-62.1-44.4172.7166.1-106.2000112V1703 D1712 C1714 R1738 L1739 W1740 G1745 I1746V1703-F1742 HydrophobicContact CG2-CE1 3.71Å; V1703-F1742 HydrophobicContact CG2-CZ 4.41Å; D1712-F1742 HydrophobicContact CB-CZ 4.24Å; C1714-F1742 HydrophobicContact CB-CD1 4.08Å; C1714-F1742 HydrophobicContact CB-CD2 3.78Å; C1714-F1742 HydrophobicContact CB-CE1 3.97Å; C1714-F1742 HydrophobicContact CB-CE2 3.68Å; C1714-F1742 HydrophobicContact CB-CG 3.96Å; C1714-F1742 HydrophobicContact CB-CZ 3.74Å; C1714-F1742 WeakPolarHBondContact SG-CD1 3.33Å; C1714-F1742 WeakPolarHBondContact SG-CE1 3.4Å; R1738-F1742 PolarHBondContact O-N 2.95Å; L1739-F1742 HydrophobicContact CD1-CD1 4.25Å; L1739-F1742 WeakPolarHBondContact O-CB 3.44Å; L1739-F1742 PolarHBondContact O-N 3.48Å; W1740-F1742 VanDerWaalsContact C-N 3.27Å; W1740-F1742 PolarHBondContact O-N 3.06Å; F1742-G1745 PolarHBondContact O-N 3.49Å; F1742-I1746 HydrophobicContact CD1-CD1 4.23Å; F1742-I1746 HydrophobicContact CD2-CD1 4.45Å; F1742-I1746 HydrophobicContact CE1-CD1 3.63Å; F1742-I1746 HydrophobicContact CE2-CD1 3.86Å; F1742-I1746 HydrophobicContact CE2-CG1 4.33Å; F1742-I1746 HydrophobicContact CZ-CD1 3.44Å; F1742-I1746 VanDerWaalsContact CZ-CD1 3.44Å; F1742-I1746 HydrophobicContact CZ-CG1 4.38Å; F1742-I1746 PolarHBondContact O-N 3.23Å; F1742-I1746 VanDerWaalsContact O-N 3.09Å
1743V92.7Very high87.9Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-61.1-48.2176.7175.10000111L1686 L1688 L1739 W1740 G1745 I1746 L1747L1686-V1743 HydrophobicContact CD2-CG1 4.16Å; L1688-V1743 HydrophobicContact CD1-CG2 4.41Å; L1688-V1743 HydrophobicContact CD2-CG2 3.58Å; L1739-V1743 WeakPolarHBondContact O-CG2 3.47Å; L1739-V1743 PolarHBondContact O-N 3.36Å; W1740-V1743 HydrophobicContact CE3-CB 4.3Å; W1740-V1743 HydrophobicContact CE3-CG1 4.32Å; W1740-V1743 HydrophobicContact CZ3-CG1 4.16Å; W1740-V1743 WeakPolarHBondContact O-CA 3.21Å; W1740-V1743 WeakPolarHBondContact O-CB 3.15Å; W1740-V1743 PolarHBondContact O-N 2.87Å; V1743-G1745 PolarHBondContact O-N 3.04Å; V1743-I1746 WeakPolarHBondContact O-CB 3.38Å; V1743-I1746 PolarHBondContact O-N 3.42Å; V1743-L1747 HydrophobicContact CG1-CD1 4.07Å; V1743-L1747 HydrophobicContact CG1-CG 4.27Å; V1743-L1747 WeakPolarHBondContact O-CG 3.47Å; V1743-L1747 PolarHBondContact O-N 2.7Å
1744V90.3Very high87.8Confident20 Ų2039.5 Ų39.512%0.12121%0.21CC..Hα-helixtrans-59.2-38.7177175.60000111W1740 D1741 I1746 L1747 A1748 T1784 L1788W1740-V1744 HydrophobicContact CD2-CG2 4.41Å; W1740-V1744 HydrophobicContact CG-CG2 4.47Å; W1740-V1744 HydrophobicContact CZ2-CG2 4.41Å; W1740-V1744 WeakPolarHBondContact O-CG2 3.36Å; W1740-V1744 PolarHBondContact O-N 2.93Å; D1741-V1744 PolarHBondContact O-N 3.32Å; V1744-I1746 VanDerWaalsContact C-N 3.33Å; V1744-I1746 PolarHBondContact O-N 3.07Å; V1744-L1747 PolarHBondContact O-N 3.1Å; V1744-A1748 WeakPolarHBondContact O-CB 3.37Å; V1744-A1748 PolarHBondContact O-N 3.07Å; V1744-T1784 HydrophobicContact CG1-CG2 4.27Å; V1744-T1784 HydrophobicContact CG2-CG2 3.65Å; V1744-L1788 HydrophobicContact CG1-CD2 4.06Å
1745G86.1Confident87.8Confident33 Ų3340 Ų4034%0.3421%0.206SC..Hα-helixtrans-58.2-40.4172.400000113.5D1741 F1742 V1743D1741-G1745 PolarHBondContact O-N 3.12Å; F1742-G1745 PolarHBondContact O-N 3.49Å; V1743-G1745 PolarHBondContact O-N 3.04Å
1746I86.8Confident87.8Confident6 Ų640 Ų403%0.03121%0.205CC..Hα-helixtrans-69.3-46.6175.2-67.3173.2000111.1L1686 V1703 M1710 D1712 F1742 V1743 V1744 A1748 T1749L1686-I1746 HydrophobicContact CD1-CG2 4.09Å; L1686-I1746 HydrophobicContact CD2-CG2 4.44Å; V1703-I1746 HydrophobicContact CB-CD1 3.7Å; V1703-I1746 HydrophobicContact CG1-CD1 3.72Å; V1703-I1746 HydrophobicContact CG1-CG2 4.34Å; V1703-I1746 HydrophobicContact CG2-CD1 3.81Å; M1710-I1746 HydrophobicContact CE-CG2 4.44Å; M1710-I1746 HydrophobicContact SD-CG2 3.56Å; M1710-I1746 VanDerWaalsContact SD-CG2 3.56Å; D1712-I1746 HydrophobicContact CB-CD1 4.14Å; F1742-I1746 HydrophobicContact CD1-CD1 4.23Å; F1742-I1746 HydrophobicContact CD2-CD1 4.45Å; F1742-I1746 HydrophobicContact CE1-CD1 3.63Å; F1742-I1746 HydrophobicContact CE2-CD1 3.86Å; F1742-I1746 HydrophobicContact CE2-CG1 4.33Å; F1742-I1746 HydrophobicContact CZ-CD1 3.44Å; F1742-I1746 VanDerWaalsContact CZ-CD1 3.44Å; F1742-I1746 HydrophobicContact CZ-CG1 4.38Å; F1742-I1746 PolarHBondContact O-N 3.23Å; F1742-I1746 VanDerWaalsContact O-N 3.09Å; V1743-I1746 WeakPolarHBondContact O-CB 3.38Å; V1743-I1746 PolarHBondContact O-N 3.42Å; V1744-I1746 VanDerWaalsContact C-N 3.33Å; V1744-I1746 PolarHBondContact O-N 3.07Å; I1746-A1748 PolarHBondContact O-N 3.15Å; I1746-T1749 WeakPolarHBondContact O-CB 3.45Å; I1746-T1749 PolarHBondContact O-N 3.48Å; I1746-T1749 PolarHBondContact O-OG1 3.05Å
1747L87.8Confident87.6Confident0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-57.3-35.4-179.6-64172.6000111.7L1686 V1743 V1744 T1749 S1750 W1754 I1756 L1788 I1807L1686-L1747 HydrophobicContact CD2-CD2 3.8Å; L1686-L1747 HydrophobicContact CD2-CG 4.44Å; V1743-L1747 HydrophobicContact CG1-CD1 4.07Å; V1743-L1747 HydrophobicContact CG1-CG 4.27Å; V1743-L1747 WeakPolarHBondContact O-CG 3.47Å; V1743-L1747 PolarHBondContact O-N 2.7Å; V1744-L1747 PolarHBondContact O-N 3.1Å; L1747-T1749 PolarHBondContact O-N 3.25Å; L1747-S1750 PolarHBondContact O-N 3.2Å; L1747-W1754 HydrophobicContact CD2-CB 3.63Å; L1747-W1754 VanDerWaalsContact CD2-CD1 3.43Å; L1747-W1754 HydrophobicContact CD2-CD2 3.7Å; L1747-W1754 HydrophobicContact CD2-CE3 4.44Å; L1747-W1754 HydrophobicContact CD2-CG 3.31Å; L1747-W1754 PolarHBondContact O-NE1 3.47Å; L1747-I1756 HydrophobicContact CD1-CD1 3.8Å; L1747-I1756 HydrophobicContact CD2-CD1 4.33Å; L1747-I1756 HydrophobicContact CD2-CG1 4.4Å; L1747-L1788 HydrophobicContact CB-CD1 4.11Å; L1747-L1788 HydrophobicContact CB-CD2 4.36Å; L1747-L1788 HydrophobicContact CD1-CD1 4.44Å; L1747-I1807 HydrophobicContact CD1-CD1 3.93Å; L1747-I1807 HydrophobicContact CD1-CG1 4.06Å
1748A83.5Confident87.5Confident37 Ų3736 Ų3631%0.30619%0.192SC..THydrogen-bonded Turntrans-68.1-12177.500000114.6V1744 I1746 L1788V1744-A1748 WeakPolarHBondContact O-CB 3.37Å; V1744-A1748 PolarHBondContact O-N 3.07Å; I1746-A1748 PolarHBondContact O-N 3.15Å; A1748-L1788 HydrophobicContact CB-CD2 3.8Å
1749T77.9Confident87.3Confident101 Ų10131 Ų3162%0.6217%0.174SC*.THydrogen-bonded Turntrans-80-18178.366.70000113.7I1746 L1747I1746-T1749 WeakPolarHBondContact O-CB 3.45Å; I1746-T1749 PolarHBondContact O-N 3.48Å; I1746-T1749 PolarHBondContact O-OG1 3.05Å; L1747-T1749 PolarHBondContact O-N 3.25Å
1750S77.7Confident86.8Confident26 Ų2631.2 Ų31.218%0.18218%0.175CC..  trans-109.8155.3179.9-179.90000111Q1684 L1747 R1752Q1684-S1750 PolarHBondContact OE1-OG 3.17Å; L1747-S1750 PolarHBondContact O-N 3.2Å; S1750-R1752 PolarHBondContact OG-N 2.66Å
1751S76.2Confident86.2Confident72 Ų7234.1 Ų34.150%0.50319%0.188SC..SBendtrans-99.57.3172.265.70000113.1E1803 T1804S1751-E1803 CarbonylContact O-C 3.58Å; S1751-T1804 CarbonylContact O-C 3.49Å; S1751-T1804 WeakPolarHBondContact O-CA 3.38Å; S1751-T1804 PolarHBondContact O-N 3.45Å
1752R80Confident85.3Confident129 Ų12931.2 Ų31.249%0.48718%0.177SC..SBendtrans-100.3153.1-179.3-74.2-170.8160.7134.2-3.5111.9Q1684 S1750 W1754Q1684-R1752 HydrophobicContact CG-CB 3.96Å; S1750-R1752 PolarHBondContact OG-N 2.66Å; R1752-W1754 VanDerWaalsContact O-CD1 3.23Å; R1752-W1754 PolarHBondContact O-NE1 2.99Å
1753P85.3Confident84.6Confident0 Ų031 Ų310%018%0.175CC..  trans-70148.7172.730.1-34.9000111.2G1683 Q1684 F1802 A1806 L1808G1683-P1753 WeakPolarHBondContact CA-O 3.31Å; Q1684-P1753 PolarHBondContact N-O 2.73Å; P1753-F1802 WeakPolarHBondContact CD-O 3.48Å; P1753-A1806 CarbonylContact C-O 3.55Å; P1753-A1806 WeakPolarHBondContact CA-O 3.37Å; P1753-L1808 HydrophobicContact CB-CD1 3.94Å; P1753-L1808 HydrophobicContact CB-CD2 4.08Å; P1753-L1808 HydrophobicContact CB-CG 3.9Å; P1753-L1808 HydrophobicContact CG-CD1 4.29Å
1754W88.4Confident84.1Confident0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-119.6141.2-170.5-69.1102.4000112.9Q1684 L1686 D1705 M1710 L1747 R1752 A1806 L1808Q1684-W1754 HydrophobicContact CB-CD2 4.17Å; Q1684-W1754 HydrophobicContact CB-CE3 3.55Å; Q1684-W1754 HydrophobicContact CB-CH2 4.24Å; Q1684-W1754 HydrophobicContact CB-CZ3 3.58Å; Q1684-W1754 CarbonylContact O-C 3.56Å; Q1684-W1754 VanDerWaalsContact O-CA 3.28Å; Q1684-W1754 WeakPolarHBondContact O-CA 3.36Å; Q1684-W1754 VanDerWaalsContact OE1-CH2 3.31Å; L1686-W1754 HydrophobicContact CB-CE3 3.78Å; L1686-W1754 HydrophobicContact CB-CZ3 3.97Å; L1686-W1754 HydrophobicContact CD1-CE3 4.37Å; L1686-W1754 HydrophobicContact CD1-CH2 4.16Å; L1686-W1754 HydrophobicContact CD1-CZ3 3.85Å; D1705-W1754 HydrophobicContact CB-CZ3 4.4Å; M1710-W1754 HydrophobicContact CE-CH2 3.84Å; M1710-W1754 HydrophobicContact CE-CZ2 4.24Å; L1747-W1754 HydrophobicContact CD2-CB 3.63Å; L1747-W1754 VanDerWaalsContact CD2-CD1 3.43Å; L1747-W1754 HydrophobicContact CD2-CD2 3.7Å; L1747-W1754 HydrophobicContact CD2-CE3 4.44Å; L1747-W1754 HydrophobicContact CD2-CG 3.31Å; L1747-W1754 PolarHBondContact O-NE1 3.47Å; R1752-W1754 VanDerWaalsContact O-CD1 3.23Å; R1752-W1754 PolarHBondContact O-NE1 2.99Å; W1754-A1806 PolarHBondContact N-O 3.36Å; W1754-L1808 PolarHBondContact O-N 3.31Å
1755R88.7Confident83.9Confident67 Ų6731 Ų3125%0.25317%0.174SC..EExtended strand (participates in β ladder)trans-108129.2160.7-62.9-179.3176.7110.1-4.5107.9D1680 Q1684 V1685 L1686 L1808 S1809D1680-R1755 PolarHBondContact O-NH2 3.42Å; Q1684-R1755 PolarHBondContact O-N 3.08Å; V1685-R1755 CarbonylContact C-O 3.58Å; V1685-R1755 VanDerWaalsContact CA-O 3.3Å; V1685-R1755 WeakPolarHBondContact CA-O 3.49Å; V1685-R1755 HydrophobicContact CG1-CB 4.44Å; V1685-R1755 HydrophobicContact CG2-CB 4.29Å; L1686-R1755 PolarHBondContact N-O 3.38Å; R1755-L1808 HydrophobicContact CG-CB 4.09Å; R1755-L1808 HydrophobicContact CG-CD1 4.33Å; R1755-S1809 WeakPolarHBondContact CA-O 3.16Å; R1755-S1809 WeakPolarHBondContact CG-OG 3.42Å
1756I90.6Very high83.9Confident2 Ų229.5 Ų29.51%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-108.5131.1-172.5-50.9172.5000109.6W1740 L1747 I1758 I1807 S1809 A1810 C1811W1740-I1756 HydrophobicContact CH2-CD1 3.93Å; W1740-I1756 HydrophobicContact CZ3-CD1 4.28Å; L1747-I1756 HydrophobicContact CD1-CD1 3.8Å; L1747-I1756 HydrophobicContact CD2-CD1 4.33Å; L1747-I1756 HydrophobicContact CD2-CG1 4.4Å; I1756-I1758 HydrophobicContact CG2-CD1 4.27Å; I1756-I1758 HydrophobicContact CG2-CG1 3.78Å; I1756-I1807 HydrophobicContact CD1-CD1 3.98Å; I1756-I1807 HydrophobicContact CD1-CG1 4.14Å; I1756-I1807 HydrophobicContact CD1-CG2 3.84Å; I1756-I1807 HydrophobicContact CG1-CG2 4.29Å; I1756-S1809 PolarHBondContact N-O 3.03Å; I1756-A1810 HydrophobicContact CB-CB 4.38Å; I1756-A1810 CarbonylContact O-C 3.56Å; I1756-A1810 VanDerWaalsContact O-CA 3.3Å; I1756-A1810 WeakPolarHBondContact O-CA 2.98Å; I1756-C1811 PolarHBondContact O-N 3.45Å
1757V90.2Very high83.9Confident23 Ų2329.9 Ų29.914%0.13916%0.16CC..EExtended strand (participates in β ladder)trans-120.6118.3169.8-175.50000108.9V1685 L1686 F1687 L1688 C1811 I1813 I1936V1685-V1757 HydrophobicContact CG1-CG2 4.04Å; L1686-V1757 PolarHBondContact O-N 2.78Å; F1687-V1757 HydrophobicContact CD1-CB 3.87Å; F1687-V1757 HydrophobicContact CD1-CG2 4.17Å; F1687-V1757 HydrophobicContact CE1-CB 4.16Å; F1687-V1757 HydrophobicContact CE1-CG2 3.96Å; L1688-V1757 PolarHBondContact N-O 3.36Å; V1757-C1811 WeakPolarHBondContact CA-O 3.49Å; V1757-I1813 HydrophobicContact CG1-CD1 3.86Å; V1757-I1813 HydrophobicContact CG1-CG1 4.32Å; V1757-I1813 HydrophobicContact CG1-CG2 4.49Å; V1757-I1936 HydrophobicContact CB-CD1 4.44Å; V1757-I1936 HydrophobicContact CG1-CD1 3.86Å; V1757-I1936 HydrophobicContact CG2-CD1 4.42Å
1758I90.8Very high84Confident0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-106.3109.1-175.6-54.8-174.4000108.6L1688 Y1690 W1740 I1756 W1772 L1776 C1811 L1812 I1813L1688-I1758 HydrophobicContact CD2-CB 4.35Å; L1688-I1758 HydrophobicContact CD2-CD1 4.25Å; L1688-I1758 HydrophobicContact CD2-CG1 4Å; L1688-I1758 HydrophobicContact CD2-CG2 3.84Å; L1688-I1758 HydrophobicContact CG-CG2 4.31Å; Y1690-I1758 HydrophobicContact CD1-CG2 4.19Å; Y1690-I1758 HydrophobicContact CE1-CG2 3.88Å; W1740-I1758 HydrophobicContact CZ3-CD1 4.29Å; I1756-I1758 HydrophobicContact CG2-CD1 4.27Å; I1756-I1758 HydrophobicContact CG2-CG1 3.78Å; I1758-W1772 HydrophobicContact CD1-CE3 4Å; I1758-W1772 HydrophobicContact CD1-CH2 3.83Å; I1758-W1772 HydrophobicContact CD1-CZ3 3.45Å; I1758-W1772 VanDerWaalsContact CD1-CZ3 3.45Å; I1758-W1772 HydrophobicContact CG2-CH2 3.98Å; I1758-W1772 HydrophobicContact CG2-CZ2 3.92Å; I1758-W1772 HydrophobicContact CG2-CZ3 4.49Å; I1758-L1776 HydrophobicContact CD1-CD1 4.19Å; I1758-L1776 HydrophobicContact CD1-CD2 3.98Å; I1758-C1811 PolarHBondContact N-O 2.99Å; I1758-L1812 HydrophobicContact CB-CD1 4Å; I1758-L1812 HydrophobicContact CG2-CD1 3.69Å; I1758-L1812 CarbonylContact O-C 2.83Å; I1758-L1812 WeakPolarHBondContact O-CA 3.49Å; I1758-I1813 WeakPolarHBondContact O-CG1 3.32Å; I1758-I1813 PolarHBondContact O-N 3.31Å
1759G87.2Confident84.2Confident2 Ų229.2 Ų29.22%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-91.7121.9173.300000112.4L1688 T1689 Y1690 I1813L1688-G1759 PolarHBondContact O-N 3.17Å; T1689-G1759 CarbonylContact C-O 3.53Å; T1689-G1759 WeakPolarHBondContact CA-O 3.15Å; T1689-G1759 WeakPolarHBondContact CG2-O 3.41Å; Y1690-G1759 VanDerWaalsContact CD1-O 3.25Å; Y1690-G1759 WeakPolarHBondContact CD1-O 3.38Å; Y1690-G1759 PolarHBondContact N-O 3.02Å; G1759-I1813 CarbonylContact C-O 3.59Å; G1759-I1813 WeakPolarHBondContact CA-O 3.38Å
1760R86.3Confident84.6Confident5 Ų526.4 Ų26.42%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-89.9122.7161179.341.5155.7104.213.4108.5G1110 Y1690 R1763 L1764 E1768 I1813 S1814 T1815G1110-R1760 PolarHBondContact O-NH2 3.27Å; Y1690-R1760 HydrophobicContact CE1-CB 3.74Å; Y1690-R1760 HydrophobicContact CE1-CG 4.32Å; Y1690-R1760 HydrophobicContact CE2-CG 4.25Å; Y1690-R1760 VanDerWaalsContact CZ-CD 3.44Å; R1760-R1763 PolarHBondContact NH2-O 3.21Å; R1760-L1764 HydrophobicContact CB-CD2 4.29Å; R1760-L1764 HydrophobicContact CB-CG 4.13Å; R1760-L1764 HydrophobicContact CG-CD2 4.24Å; R1760-L1764 HydrophobicContact CG-CG 4.05Å; R1760-E1768 IonicContact CZ-OE1 3.66Å; R1760-E1768 IonicContact NE-OE1 3.37Å; R1760-E1768 PolarHBondContact NE-OE1 3.21Å; R1760-E1768 IonicContact NE-OE2 3.69Å; R1760-E1768 IonicContact NH2-OE1 3.01Å; R1760-E1768 IonicContact NH2-OE2 2.72Å; R1760-I1813 PolarHBondContact N-O 2.85Å; R1760-S1814 CarbonylContact O-C 3.58Å; R1760-T1815 PolarHBondContact O-N 2.97Å; R1760-T1815 PolarHBondContact O-OG1 3.16Å
1761F79.6Confident85.2Confident76 Ų7625.1 Ų25.133%0.33312%0.121SC..EExtended strand (participates in β ladder)trans-85.6111.5171.4-175.4-96.1000109.9T1689 Y1690 C1691 L1817 F1940T1689-F1761 HydrophobicContact CG2-CB 4.32Å; Y1690-F1761 PolarHBondContact O-N 3.07Å; C1691-F1761 HydrophobicContact CB-CB 3.94Å; C1691-F1761 HydrophobicContact CB-CD1 4.17Å; C1691-F1761 HydrophobicContact CB-CG 4.49Å; F1761-L1817 HydrophobicContact CE1-CD1 4.2Å; F1761-L1817 HydrophobicContact CE2-CD1 4.27Å; F1761-L1817 HydrophobicContact CE2-CD2 4.49Å; F1761-L1817 HydrophobicContact CE2-CG 4.07Å; F1761-L1817 HydrophobicContact CZ-CD1 3.49Å; F1761-L1817 VanDerWaalsContact CZ-CD1 3.49Å; F1761-L1817 HydrophobicContact CZ-CD2 4.46Å; F1761-L1817 HydrophobicContact CZ-CG 3.76Å; F1761-F1940 HydrophobicContact CD2-CE1 4.27Å
1762G73.2Confident85.8Confident16 Ų1621.8 Ų21.817%0.16510%0.098CC..SBendtrans97.6-175.7-168.800000113S1814 T1815G1762-S1814 PolarHBondContact O-OG 3.42Å; G1762-T1815 PolarHBondContact N-O 3.32Å
1763R76.7Confident86.1Confident36 Ų3615.7 Ų15.714%0.1368%0.075CC..PPolyproline II helixtrans-66.7145.3-178.1-79.7176.1176.1-100.9-15.2112.8D1052 L1105 V1111 R1760 E1816D1052-R1763 PolarHBondContact O-NH1 2.92Å; D1052-R1763 PolarHBondContact O-NH2 2.74Å; L1105-R1763 VanDerWaalsContact CD1-NH1 3.3Å; V1111-R1763 HydrophobicContact CG1-CB 3.59Å; R1760-R1763 PolarHBondContact NH2-O 3.21Å; R1763-E1816 HydrophobicContact CG-CG 3.87Å; R1763-E1816 VanDerWaalsContact CG-OE1 3.3Å; R1763-E1816 WeakPolarHBondContact CG-OE1 3.43Å; R1763-E1816 WeakPolarHBondContact CG-OE2 3.5Å; R1763-E1816 IonicContact CZ-OE1 2.76Å; R1763-E1816 IonicContact CZ-OE2 3.05Å; R1763-E1816 IonicContact NE-OE1 3.38Å; R1763-E1816 IonicContact NE-OE2 3.75Å; R1763-E1816 PolarHBondContact NE-OE2 3.48Å; R1763-E1816 IonicContact NH2-OE1 3.85Å; R1763-E1816 IonicContact NH2-OE2 3.98Å; R1763-E1816 PolarHBondContact NH2-OE2 3.29Å
1764L83.6Confident86.1Confident18 Ų1819.2 Ų19.29%0.0949%0.091CC..PPolyproline II helixtrans-85.1128.4168-87.1155.6000109.5P1055 R1760 E1768 L1812P1055-L1764 WeakPolarHBondContact CB-O 3.43Å; R1760-L1764 HydrophobicContact CB-CD2 4.29Å; R1760-L1764 HydrophobicContact CB-CG 4.13Å; R1760-L1764 HydrophobicContact CG-CD2 4.24Å; R1760-L1764 HydrophobicContact CG-CG 4.05Å; L1764-E1768 HydrophobicContact CD2-CG 3.81Å; L1764-L1812 HydrophobicContact CD1-CD2 3.99Å; L1764-L1812 HydrophobicContact CD1-CG 4.2Å; L1764-L1812 HydrophobicContact CD2-CD2 4.13Å
1765G85.7Confident86.2Confident1 Ų120.1 Ų20.11%0.0110%0.096CC..PPolyproline II helixtrans-78.2166169.200000112.9D1115 E1768 L1769D1115-G1765 VanDerWaalsContact OD2-C 3.3Å; D1115-G1765 WeakPolarHBondContact OD2-CA 3.34Å; G1765-E1768 PolarHBondContact N-OE2 2.85Å; G1765-L1769 WeakPolarHBondContact O-CB 3.37Å; G1765-L1769 PolarHBondContact O-N 3.03Å
1766H85.2Confident86.2Confident3 Ų317.1 Ų17.11%0.0149%0.085CC..Hα-helixtrans-74.8-42-175.856.9-87.6000113.5L1056 I1063 D1115 D1118 E1768 L1769 K1770L1056-H1766 HydrophobicContact CD1-CB 3.7Å; L1056-H1766 HydrophobicContact CG-CB 4.45Å; I1063-H1766 HydrophobicContact CG2-CB 3.38Å; D1115-H1766 VanDerWaalsContact CA-CE1 3.46Å; D1115-H1766 WeakPolarHBondContact CA-CE1 3.27Å; D1115-H1766 PolarHBondContact O-CE1 3.38Å; D1115-H1766 IonicContact OD1-CD2 3.93Å; D1115-H1766 PolarHBondContact OD1-CD2 3.33Å; D1115-H1766 IonicContact OD1-CE1 3.6Å; D1115-H1766 PolarHBondContact OD1-CE1 2.94Å; D1115-H1766 IonicContact OD1-CG 3Å; D1115-H1766 IonicContact OD1-ND1 3.93Å; D1115-H1766 IonicContact OD1-NE2 3.5Å; D1115-H1766 PolarHBondContact OD1-NE2 3.46Å; D1115-H1766 PolarHBondContact OD2-N 2.92Å; D1118-H1766 VanDerWaalsContact CB-CE1 3.49Å; D1118-H1766 WeakPolarHBondContact CB-CE1 3.41Å; D1118-H1766 IonicContact OD2-NE2 3.57Å; D1118-H1766 PolarHBondContact OD2-NE2 3.35Å; H1766-E1768 VanDerWaalsContact C-N 3.35Å; H1766-L1769 PolarHBondContact O-N 3.27Å; H1766-K1770 WeakPolarHBondContact O-CG 3.14Å; H1766-K1770 PolarHBondContact O-N 3.01Å; H1766-K1770 VanDerWaalsContact O-N 3.09Å
1767E86.6Confident86Confident14 Ų1417.6 Ų17.67%0.0659%0.089CC..Hα-helixtrans-72.5-32.9172.9-64.2-60.812000110.9D1115 R1729 I1732 L1769 K1770 A1771D1115-E1767 WeakPolarHBondContact OD1-CB 2.97Å; D1115-E1767 VanDerWaalsContact OD1-CG 3.3Å; D1115-E1767 WeakPolarHBondContact OD1-CG 3.39Å; D1115-E1767 PolarHBondContact OD1-N 3.46Å; D1115-E1767 PolarHBondContact OD2-N 3.44Å; R1729-E1767 HydrophobicContact CG-CG 4.47Å; I1732-E1767 HydrophobicContact CD1-CB 3.82Å; E1767-L1769 VanDerWaalsContact C-N 3.34Å; E1767-L1769 PolarHBondContact O-N 2.82Å; E1767-K1770 PolarHBondContact O-N 2.95Å; E1767-K1770 WeakPolarHBondContact OE1-CD 3.47Å; E1767-K1770 WeakPolarHBondContact OE1-CE 3.34Å; E1767-K1770 IonicContact OE1-NZ 3.56Å; E1767-K1770 PolarHBondContact OE1-NZ 3.18Å; E1767-A1771 WeakPolarHBondContact O-CB 3.43Å; E1767-A1771 PolarHBondContact O-N 3.47Å
1768E91.2Very high85.6Confident0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-57-46.2170.1-178.7178.2-159.800111.5F1112 D1115 Y1690 I1732 L1736 R1760 L1764 G1765 H1766 A1771 W1772F1112-E1768 HydrophobicContact CD2-CB 4.02Å; F1112-E1768 HydrophobicContact CD2-CG 4.16Å; F1112-E1768 HydrophobicContact CE2-CB 4.16Å; F1112-E1768 HydrophobicContact CE2-CG 3.87Å; D1115-E1768 PolarHBondContact OD2-N 2.97Å; Y1690-E1768 WeakPolarHBondContact CE2-OE1 3.25Å; Y1690-E1768 PolarHBondContact OH-OE1 3.45Å; I1732-E1768 HydrophobicContact CG2-CB 4.22Å; L1736-E1768 HydrophobicContact CD1-CG 4.11Å; R1760-E1768 IonicContact CZ-OE1 3.66Å; R1760-E1768 IonicContact NE-OE1 3.37Å; R1760-E1768 PolarHBondContact NE-OE1 3.21Å; R1760-E1768 IonicContact NE-OE2 3.69Å; R1760-E1768 IonicContact NH2-OE1 3.01Å; R1760-E1768 IonicContact NH2-OE2 2.72Å; L1764-E1768 HydrophobicContact CD2-CG 3.81Å; G1765-E1768 PolarHBondContact N-OE2 2.85Å; H1766-E1768 VanDerWaalsContact C-N 3.35Å; E1768-A1771 PolarHBondContact O-N 3.5Å; E1768-W1772 VanDerWaalsContact O-CD1 3.23Å; E1768-W1772 PolarHBondContact O-N 3.43Å
1769L87.6Confident85.3Confident22 Ų2223.6 Ų23.612%0.11512%0.124CC..Hα-helixtrans-63.8-43.7176.418062.8000112.2P1055 G1765 H1766 E1767 A1771 W1772 A1773 L1812 F1909P1055-L1769 HydrophobicContact CG-CD2 3.76Å; G1765-L1769 WeakPolarHBondContact O-CB 3.37Å; G1765-L1769 PolarHBondContact O-N 3.03Å; H1766-L1769 PolarHBondContact O-N 3.27Å; E1767-L1769 VanDerWaalsContact C-N 3.34Å; E1767-L1769 PolarHBondContact O-N 2.82Å; L1769-A1771 VanDerWaalsContact C-N 3.33Å; L1769-A1771 PolarHBondContact O-N 3.44Å; L1769-W1772 PolarHBondContact O-N 3.49Å; L1769-A1773 WeakPolarHBondContact O-CB 3.45Å; L1769-A1773 PolarHBondContact O-N 2.85Å; L1769-L1812 HydrophobicContact CD1-CD2 4.07Å; L1769-F1909 HydrophobicContact CD2-CZ 4.48Å
1770K85.5Confident85.3Confident42 Ų4225.5 Ų25.518%0.18313%0.132CC..Hα-helixtrans-61.4-41.9176.6-72.3174.5-175.4174.20112.1W1733 H1766 E1767 A1773 H1774 L1901W1733-K1770 HydrophobicContact CZ2-CB 4.35Å; H1766-K1770 WeakPolarHBondContact O-CG 3.14Å; H1766-K1770 PolarHBondContact O-N 3.01Å; H1766-K1770 VanDerWaalsContact O-N 3.09Å; E1767-K1770 PolarHBondContact O-N 2.95Å; E1767-K1770 WeakPolarHBondContact OE1-CD 3.47Å; E1767-K1770 WeakPolarHBondContact OE1-CE 3.34Å; E1767-K1770 IonicContact OE1-NZ 3.56Å; E1767-K1770 PolarHBondContact OE1-NZ 3.18Å; K1770-A1773 PolarHBondContact O-N 3.21Å; K1770-H1774 PolarHBondContact O-N 3.42Å; K1770-L1901 HydrophobicContact CB-CD2 4.4Å; K1770-L1901 HydrophobicContact CD-CD2 3.82Å; K1770-L1901 HydrophobicContact CG-CD2 4.04Å
1771A90.4Very high85.4Confident0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-63.7-43.9177.500000111.8W1733 L1736 E1767 E1768 L1769 H1774 L1775W1733-A1771 HydrophobicContact CD2-CB 3.78Å; W1733-A1771 HydrophobicContact CE3-CB 3.93Å; W1733-A1771 HydrophobicContact CG-CB 4.29Å; W1733-A1771 HydrophobicContact CH2-CB 4.31Å; W1733-A1771 HydrophobicContact CZ2-CB 4.15Å; W1733-A1771 HydrophobicContact CZ3-CB 4.2Å; L1736-A1771 HydrophobicContact CD1-CB 3.57Å; E1767-A1771 WeakPolarHBondContact O-CB 3.43Å; E1767-A1771 PolarHBondContact O-N 3.47Å; E1768-A1771 PolarHBondContact O-N 3.5Å; L1769-A1771 VanDerWaalsContact C-N 3.33Å; L1769-A1771 PolarHBondContact O-N 3.44Å; A1771-H1774 PolarHBondContact O-N 3.45Å; A1771-L1775 WeakPolarHBondContact O-CG 3.25Å; A1771-L1775 PolarHBondContact O-N 3.44Å
1772W90.2Very high85.6Confident1 Ų126.6 Ų26.60%0.00413%0.134CC..Hα-helixtrans-64.5-41.6173.1-79.2117.4000112.9L1688 Y1690 L1736 L1739 W1740 I1758 E1768 L1769 H1774 L1775 L1776 L1812L1688-W1772 HydrophobicContact CD2-CH2 4.41Å; Y1690-W1772 HydrophobicContact CD1-CZ2 4.36Å; Y1690-W1772 AromaticContact CE1-CZ2 3.8Å; Y1690-W1772 HydrophobicContact CE1-CZ2 3.8Å; Y1690-W1772 AromaticContact CE1-NE1 3.98Å; Y1690-W1772 AromaticContact CZ-NE1 3.49Å; Y1690-W1772 PolarHBondContact OH-NE1 2.9Å; L1736-W1772 HydrophobicContact CD2-CZ2 3.81Å; L1739-W1772 HydrophobicContact CD2-CH2 3.89Å; L1739-W1772 HydrophobicContact CD2-CZ2 3.75Å; L1739-W1772 HydrophobicContact CG-CH2 4.41Å; W1740-W1772 HydrophobicContact CE3-CZ3 4.21Å; I1758-W1772 HydrophobicContact CD1-CE3 4Å; I1758-W1772 HydrophobicContact CD1-CH2 3.83Å; I1758-W1772 HydrophobicContact CD1-CZ3 3.45Å; I1758-W1772 VanDerWaalsContact CD1-CZ3 3.45Å; I1758-W1772 HydrophobicContact CG2-CH2 3.98Å; I1758-W1772 HydrophobicContact CG2-CZ2 3.92Å; I1758-W1772 HydrophobicContact CG2-CZ3 4.49Å; E1768-W1772 VanDerWaalsContact O-CD1 3.23Å; E1768-W1772 PolarHBondContact O-N 3.43Å; L1769-W1772 PolarHBondContact O-N 3.49Å; W1772-H1774 PolarHBondContact O-N 3.09Å; W1772-L1775 HydrophobicContact CE3-CB 4.49Å; W1772-L1775 HydrophobicContact CE3-CD1 4.38Å; W1772-L1775 PolarHBondContact O-N 2.85Å; W1772-L1776 HydrophobicContact CE3-CD1 4.09Å; W1772-L1776 HydrophobicContact CE3-CD2 4.42Å; W1772-L1776 HydrophobicContact CE3-CG 4.09Å; W1772-L1776 VanDerWaalsContact O-CB 3.29Å; W1772-L1776 WeakPolarHBondContact O-CB 3.07Å; W1772-L1776 VanDerWaalsContact O-CG 3.31Å; W1772-L1776 WeakPolarHBondContact O-CG 3.5Å; W1772-L1776 PolarHBondContact O-N 3.39Å; W1772-L1812 HydrophobicContact CB-CD2 3.86Å; W1772-L1812 HydrophobicContact CD2-CD1 4.41Å; W1772-L1812 HydrophobicContact CG-CD1 4.26Å; W1772-L1812 HydrophobicContact CG-CD2 4.04Å
1773A84.5Confident86.3Confident1 Ų129 Ų291%0.00815%0.148CC..Hα-helixtrans-57.1-41.3176.400000111.5L1769 K1770 S1777 L1905 L1908L1769-A1773 WeakPolarHBondContact O-CB 3.45Å; L1769-A1773 PolarHBondContact O-N 2.85Å; K1770-A1773 PolarHBondContact O-N 3.21Å; A1773-S1777 PolarHBondContact O-N 3.34Å; A1773-S1777 VanDerWaalsContact O-N 3.17Å; A1773-L1905 HydrophobicContact CB-CD2 3.57Å; A1773-L1905 HydrophobicContact CB-CG 4.33Å; A1773-L1908 HydrophobicContact CB-CD2 3.62Å
1774H86.3Confident86.9Confident74 Ų7427.8 Ų27.834%0.34315%0.145SC..Hα-helixtrans-65.7-52.6174.3-179.381.8000112.3W1733 K1770 A1771 W1772 L1776 S1777 Q1780W1733-H1774 HydrophobicContact CH2-CB 3.82Å; W1733-H1774 HydrophobicContact CZ3-CB 3.76Å; W1733-H1774 AromaticContact CZ3-CD2 3.95Å; W1733-H1774 AromaticContact CZ3-CG 3.87Å; K1770-H1774 PolarHBondContact O-N 3.42Å; A1771-H1774 PolarHBondContact O-N 3.45Å; W1772-H1774 PolarHBondContact O-N 3.09Å; H1774-L1776 VanDerWaalsContact C-N 3.26Å; H1774-L1776 PolarHBondContact O-N 3.03Å; H1774-S1777 WeakPolarHBondContact O-CB 3.18Å; H1774-S1777 PolarHBondContact O-N 3.26Å; H1774-S1777 PolarHBondContact O-OG 3.43Å; H1774-Q1780 WeakPolarHBondContact O-CG 3.34Å
1775L90.2Very high87.1Confident19 Ų1927 Ų2710%0.09914%0.141CC..Hα-helixtrans-63.2-30.6-177-70.9171.2000113.2L1736 W1740 A1771 W1772L1736-L1775 HydrophobicContact CB-CD1 4.1Å; W1740-L1775 HydrophobicContact CB-CD1 4.35Å; W1740-L1775 HydrophobicContact CG-CD2 4.44Å; A1771-L1775 WeakPolarHBondContact O-CG 3.25Å; A1771-L1775 PolarHBondContact O-N 3.44Å; W1772-L1775 HydrophobicContact CE3-CB 4.49Å; W1772-L1775 HydrophobicContact CE3-CD1 4.38Å; W1772-L1775 PolarHBondContact O-N 2.85Å
1776L89.3Confident87.1Confident5 Ų534.4 Ų34.43%0.02617%0.168CC..THydrogen-bonded Turntrans-97.54.9-179.6-58177.9000113.3W1740 I1758 W1772 H1774 L1781 A1810 L1812 I1863W1740-L1776 HydrophobicContact CE3-CD2 4.48Å; W1740-L1776 HydrophobicContact CH2-CD2 3.91Å; W1740-L1776 HydrophobicContact CZ3-CD2 3.75Å; I1758-L1776 HydrophobicContact CD1-CD1 4.19Å; I1758-L1776 HydrophobicContact CD1-CD2 3.98Å; W1772-L1776 HydrophobicContact CE3-CD1 4.09Å; W1772-L1776 HydrophobicContact CE3-CD2 4.42Å; W1772-L1776 HydrophobicContact CE3-CG 4.09Å; W1772-L1776 VanDerWaalsContact O-CB 3.29Å; W1772-L1776 WeakPolarHBondContact O-CB 3.07Å; W1772-L1776 VanDerWaalsContact O-CG 3.31Å; W1772-L1776 WeakPolarHBondContact O-CG 3.5Å; W1772-L1776 PolarHBondContact O-N 3.39Å; H1774-L1776 VanDerWaalsContact C-N 3.26Å; H1774-L1776 PolarHBondContact O-N 3.03Å; L1776-L1781 HydrophobicContact CD2-CD2 4.27Å; L1776-L1781 VanDerWaalsContact O-CD1 3.3Å; L1776-L1781 WeakPolarHBondContact O-CD1 3.5Å; L1776-A1810 HydrophobicContact CD2-CB 3.98Å; L1776-L1812 HydrophobicContact CD1-CB 4.38Å; L1776-I1863 HydrophobicContact CB-CD1 4.43Å; L1776-I1863 WeakPolarHBondContact O-CD1 3Å
1777S85.8Confident87.2Confident12 Ų1237.2 Ų37.28%0.08418%0.183CC..SBendtrans-57.4151177.3640000111.9A1773 H1774 S1779 Q1780 L1781A1773-S1777 PolarHBondContact O-N 3.34Å; A1773-S1777 VanDerWaalsContact O-N 3.17Å; H1774-S1777 WeakPolarHBondContact O-CB 3.18Å; H1774-S1777 PolarHBondContact O-N 3.26Å; H1774-S1777 PolarHBondContact O-OG 3.43Å; S1777-S1779 PolarHBondContact O-N 3.49Å; S1777-Q1780 PolarHBondContact O-N 3.31Å; S1777-Q1780 VanDerWaalsContact O-N 3.08Å; S1777-Q1780 WeakPolarHBondContact OG-CB 3.08Å; S1777-Q1780 VanDerWaalsContact OG-CG 3.28Å; S1777-Q1780 WeakPolarHBondContact OG-CG 3.22Å; S1777-Q1780 PolarHBondContact OG-N 3.28Å; S1777-L1781 WeakPolarHBondContact O-CG 3.22Å; S1777-L1781 PolarHBondContact O-N 3.04Å
1778K81.1Confident87.1Confident62 Ų6236.7 Ų36.727%0.2718%0.181SC..Hα-helixtrans-54.9-39.9-177.8-69.4174.9-171.1148.40112.1R1782 I1863 D1907K1778-R1782 WeakPolarHBondContact O-CB 3.42Å; K1778-R1782 VanDerWaalsContact O-CG 3.27Å; K1778-R1782 WeakPolarHBondContact O-CG 3.21Å; K1778-R1782 PolarHBondContact O-N 2.86Å; K1778-R1782 VanDerWaalsContact O-N 3.11Å; K1778-I1863 HydrophobicContact CG-CG2 3.64Å; K1778-D1907 WeakPolarHBondContact CE-OD1 3.17Å; K1778-D1907 IonicContact NZ-OD1 3.19Å; K1778-D1907 PolarHBondContact NZ-OD1 3.23Å
1779S84.6Confident86.6Confident87 Ų8739 Ų3961%0.60819%0.19SC*.Hα-helixtrans-62.6-49.3176.71780000112S1777 L1781 R1782 S1783S1777-S1779 PolarHBondContact O-N 3.49Å; S1779-L1781 PolarHBondContact O-N 3.28Å; S1779-R1782 PolarHBondContact O-N 3.42Å; S1779-S1783 WeakPolarHBondContact O-CB 3.5Å; S1779-S1783 PolarHBondContact O-N 3.4Å
1780Q87.4Confident86.4Confident42 Ų4241.4 Ų41.420%0.19620%0.2CC..Hα-helixtrans-64.8-40.2-179.5-71.5-64.81.100112.8H1774 S1777 S1783 T1784H1774-Q1780 WeakPolarHBondContact O-CG 3.34Å; S1777-Q1780 PolarHBondContact O-N 3.31Å; S1777-Q1780 VanDerWaalsContact O-N 3.08Å; S1777-Q1780 WeakPolarHBondContact OG-CB 3.08Å; S1777-Q1780 VanDerWaalsContact OG-CG 3.28Å; S1777-Q1780 WeakPolarHBondContact OG-CG 3.22Å; S1777-Q1780 PolarHBondContact OG-N 3.28Å; Q1780-S1783 PolarHBondContact O-N 2.72Å; Q1780-T1784 WeakPolarHBondContact O-CB 3.36Å; Q1780-T1784 PolarHBondContact O-N 3.35Å; Q1780-T1784 PolarHBondContact O-OG1 2.88Å
1781L88.5Confident86Confident0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-67.6-37.4177.8-63.7-179.6000112.4W1740 L1776 S1777 S1779 S1785 I1807 A1810 I1863 I1865W1740-L1781 HydrophobicContact CH2-CD2 3.77Å; W1740-L1781 HydrophobicContact CZ2-CD2 3.84Å; L1776-L1781 HydrophobicContact CD2-CD2 4.27Å; L1776-L1781 VanDerWaalsContact O-CD1 3.3Å; L1776-L1781 WeakPolarHBondContact O-CD1 3.5Å; S1777-L1781 WeakPolarHBondContact O-CG 3.22Å; S1777-L1781 PolarHBondContact O-N 3.04Å; S1779-L1781 PolarHBondContact O-N 3.28Å; L1781-S1785 WeakPolarHBondContact O-CB 3.35Å; L1781-S1785 PolarHBondContact O-N 3.32Å; L1781-S1785 PolarHBondContact O-OG 3.49Å; L1781-I1807 HydrophobicContact CD2-CD1 4.11Å; L1781-I1807 HydrophobicContact CD2-CG2 4.31Å; L1781-A1810 HydrophobicContact CD1-CB 4.11Å; L1781-I1863 HydrophobicContact CD1-CG2 4.26Å; L1781-I1865 HydrophobicContact CB-CD1 3.47Å; L1781-I1865 VanDerWaalsContact CB-CD1 3.47Å; L1781-I1865 HydrophobicContact CD1-CD1 4.06Å; L1781-I1865 HydrophobicContact CG-CD1 4.44Å
1782R83.8Confident85.1Confident104 Ų10443.2 Ų43.239%0.39221%0.214SC..Hα-helixtrans-64-47.7173.5-77176.5-179.6-173.12.1111.3K1778 S1779 T1784 S1785 R1786 I1865 C1869K1778-R1782 WeakPolarHBondContact O-CB 3.42Å; K1778-R1782 VanDerWaalsContact O-CG 3.27Å; K1778-R1782 WeakPolarHBondContact O-CG 3.21Å; K1778-R1782 PolarHBondContact O-N 2.86Å; K1778-R1782 VanDerWaalsContact O-N 3.11Å; S1779-R1782 PolarHBondContact O-N 3.42Å; R1782-T1784 PolarHBondContact O-N 2.86Å; R1782-S1785 PolarHBondContact O-N 3.32Å; R1782-R1786 PolarHBondContact O-N 3.05Å; R1782-I1865 HydrophobicContact CG-CG2 4.06Å; R1782-C1869 PolarHBondContact NH2-SG 3.09Å; R1782-C1869 VanDerWaalsContact NH2-SG 3.39Å
1783S88.5Confident84.4Confident67 Ų6746.6 Ų46.647%0.46924%0.238SC..Hα-helixtrans-58.6-46.8176.4-1770000111.5S1779 Q1780 S1785 R1786 L1787S1779-S1783 WeakPolarHBondContact O-CB 3.5Å; S1779-S1783 PolarHBondContact O-N 3.4Å; Q1780-S1783 PolarHBondContact O-N 2.72Å; S1783-S1785 PolarHBondContact O-N 2.79Å; S1783-R1786 WeakPolarHBondContact O-CB 3.43Å; S1783-R1786 PolarHBondContact O-N 3.07Å; S1783-R1786 VanDerWaalsContact O-N 3.13Å; S1783-L1787 PolarHBondContact O-N 3.15Å
1784T89Confident84Confident10 Ų1050.9 Ų50.96%0.06126%0.264CS..Hα-helixtrans-61-42.9176.8-55.90000111.8W1740 V1744 Q1780 R1782 R1786 L1787 L1788 I1807W1740-T1784 HydrophobicContact CZ2-CG2 4.36Å; V1744-T1784 HydrophobicContact CG1-CG2 4.27Å; V1744-T1784 HydrophobicContact CG2-CG2 3.65Å; Q1780-T1784 WeakPolarHBondContact O-CB 3.36Å; Q1780-T1784 PolarHBondContact O-N 3.35Å; Q1780-T1784 PolarHBondContact O-OG1 2.88Å; R1782-T1784 PolarHBondContact O-N 2.86Å; T1784-R1786 VanDerWaalsContact C-N 3.3Å; T1784-R1786 PolarHBondContact O-N 2.99Å; T1784-L1787 PolarHBondContact O-N 3.3Å; T1784-L1788 HydrophobicContact CG2-CD1 4.43Å; T1784-L1788 WeakPolarHBondContact O-CG 3.3Å; T1784-L1788 PolarHBondContact O-N 3.02Å; T1784-I1807 HydrophobicContact CG2-CD1 3.82Å
1785S88.2Confident83.7Confident2 Ų248 Ų481%0.01425%0.252CS..Hα-helixtrans-66.7-30176.8-59.60000113.1L1781 R1782 S1783 R1789 I1807L1781-S1785 WeakPolarHBondContact O-CB 3.35Å; L1781-S1785 PolarHBondContact O-N 3.32Å; L1781-S1785 PolarHBondContact O-OG 3.49Å; R1782-S1785 PolarHBondContact O-N 3.32Å; S1783-S1785 PolarHBondContact O-N 2.79Å; S1785-R1789 PolarHBondContact O-NE 2.75Å; S1785-I1807 PolarHBondContact OG-N 3.3Å
1786R85.4Confident83.1Confident155 Ų15552.9 Ų52.959%0.58527%0.274SS*.Hα-helixtrans-70.8-48.1172.2-177.3177.5177.2173.50.4110.5R1782 S1783 T1784 L1788 R1789 E1790R1782-R1786 PolarHBondContact O-N 3.05Å; S1783-R1786 WeakPolarHBondContact O-CB 3.43Å; S1783-R1786 PolarHBondContact O-N 3.07Å; S1783-R1786 VanDerWaalsContact O-N 3.13Å; T1784-R1786 VanDerWaalsContact C-N 3.3Å; T1784-R1786 PolarHBondContact O-N 2.99Å; R1786-L1788 VanDerWaalsContact C-N 3.35Å; R1786-L1788 PolarHBondContact O-N 2.97Å; R1786-R1789 PolarHBondContact O-N 2.83Å; R1786-R1789 VanDerWaalsContact O-N 3.09Å; R1786-E1790 HydrophobicContact CG-CG 4.35Å; R1786-E1790 WeakPolarHBondContact CG-OE1 3.32Å; R1786-E1790 IonicContact CZ-OE1 2.7Å; R1786-E1790 IonicContact NE-OE1 3.41Å; R1786-E1790 PolarHBondContact NE-OE1 2.91Å; R1786-E1790 IonicContact NH2-OE1 2.78Å; R1786-E1790 WeakPolarHBondContact O-CG 3.17Å; R1786-E1790 PolarHBondContact O-N 2.99Å
1787L86.4Confident82.5Confident62 Ų6257.3 Ų57.333%0.32530%0.303SS..Hα-helixtrans-56.7-46176.9-177.966000111.7V522 S1783 T1784 R1789 E1790 Q1791V522-L1787 HydrophobicContact CB-CD1 4.46Å; V522-L1787 HydrophobicContact CG2-CD1 4.48Å; S1783-L1787 PolarHBondContact O-N 3.15Å; T1784-L1787 PolarHBondContact O-N 3.3Å; L1787-R1789 PolarHBondContact O-N 3.04Å; L1787-E1790 PolarHBondContact O-N 3.4Å; L1787-Q1791 HydrophobicContact CD1-CG 4.23Å; L1787-Q1791 HydrophobicContact CG-CG 4.37Å; L1787-Q1791 VanDerWaalsContact O-CG 3.26Å; L1787-Q1791 WeakPolarHBondContact O-CG 3.35Å; L1787-Q1791 PolarHBondContact O-N 3.34Å
1788L85Confident82Confident4 Ų460 Ų602%0.02132%0.315CS..Hα-helixtrans-56.7-36.9177.4-75.3171.3000112.9V1744 L1747 A1748 T1784 R1786 P1805V1744-L1788 HydrophobicContact CG1-CD2 4.06Å; L1747-L1788 HydrophobicContact CB-CD1 4.11Å; L1747-L1788 HydrophobicContact CB-CD2 4.36Å; L1747-L1788 HydrophobicContact CD1-CD1 4.44Å; A1748-L1788 HydrophobicContact CB-CD2 3.8Å; T1784-L1788 HydrophobicContact CG2-CD1 4.43Å; T1784-L1788 WeakPolarHBondContact O-CG 3.3Å; T1784-L1788 PolarHBondContact O-N 3.02Å; R1786-L1788 VanDerWaalsContact C-N 3.35Å; R1786-L1788 PolarHBondContact O-N 2.97Å; L1788-P1805 HydrophobicContact CB-CB 4.24Å; L1788-P1805 HydrophobicContact CB-CG 4.24Å
1789R82.1Confident81.3Confident48 Ų4862.6 Ų62.618%0.18134%0.338CS..Hα-helixtrans-74.4-44176.7-73-176.3-80.9-178-1.8112.2S1785 R1786 L1787 Q1791 C1792 Q1796S1785-R1789 PolarHBondContact O-NE 2.75Å; R1786-R1789 PolarHBondContact O-N 2.83Å; R1786-R1789 VanDerWaalsContact O-N 3.09Å; L1787-R1789 PolarHBondContact O-N 3.04Å; R1789-Q1791 VanDerWaalsContact C-N 3.3Å; R1789-Q1791 PolarHBondContact O-N 3.18Å; R1789-C1792 PolarHBondContact O-N 3.37Å; R1789-C1792 VanDerWaalsContact O-O 3.1Å; R1789-Q1796 PolarHBondContact O-N 2.82Å
1790E81.9Confident80.5Confident72 Ų7260 Ų6034%0.33632%0.32SS..Hα-helixtrans-66.1-29.8-179.2-71.2175.6174.900112.9R1786 L1787 C1792R1786-E1790 HydrophobicContact CG-CG 4.35Å; R1786-E1790 WeakPolarHBondContact CG-OE1 3.32Å; R1786-E1790 IonicContact CZ-OE1 2.7Å; R1786-E1790 IonicContact NE-OE1 3.41Å; R1786-E1790 PolarHBondContact NE-OE1 2.91Å; R1786-E1790 IonicContact NH2-OE1 2.78Å; R1786-E1790 WeakPolarHBondContact O-CG 3.17Å; R1786-E1790 PolarHBondContact O-N 2.99Å; L1787-E1790 PolarHBondContact O-N 3.4Å; E1790-C1792 PolarHBondContact O-N 2.67Å
1791Q76.8Confident79.5Confident36 Ų3658 Ų5817%0.16831%0.311CS..THydrogen-bonded Turntrans-69.2-16.6176.3-69.9-174.51000113.9V522 L1787 R1789V522-Q1791 HydrophobicContact CB-CG 4.19Å; V522-Q1791 HydrophobicContact CG1-CG 4.26Å; V522-Q1791 VanDerWaalsContact O-CG 3.3Å; V522-Q1791 WeakPolarHBondContact O-CG 3.34Å; L1787-Q1791 HydrophobicContact CD1-CG 4.23Å; L1787-Q1791 HydrophobicContact CG-CG 4.37Å; L1787-Q1791 VanDerWaalsContact O-CG 3.26Å; L1787-Q1791 WeakPolarHBondContact O-CG 3.35Å; L1787-Q1791 PolarHBondContact O-N 3.34Å; R1789-Q1791 VanDerWaalsContact C-N 3.3Å; R1789-Q1791 PolarHBondContact O-N 3.18Å
1792C72.3Confident78.5Confident44 Ų4459.4 Ų59.430%0.29732%0.317SS..  trans-114.2110.6178.9-178.60000110.6R1789 E1790 V1794 C1795 Q1796R1789-C1792 PolarHBondContact O-N 3.37Å; R1789-C1792 VanDerWaalsContact O-O 3.1Å; E1790-C1792 PolarHBondContact O-N 2.67Å; C1792-V1794 PolarHBondContact O-N 3.35Å; C1792-C1795 HydrophobicContact CB-CB 3.85Å; C1792-C1795 PolarHBondContact O-N 3.05Å; C1792-C1795 PolarHBondContact SG-SG 3.4Å; C1792-Q1796 PolarHBondContact O-N 3.11Å
1793S75.4Confident78Confident73 Ų7360.1 Ų60.151%0.5133%0.325SS..THydrogen-bonded Turntrans-58-2117963.60000114.2P1797S1793-P1797 VanDerWaalsContact O-CD 3.29Å; S1793-P1797 WeakPolarHBondContact O-CD 3.49Å
1794V76.5Confident77.4Confident91 Ų9156.9 Ų56.955%0.55230%0.302SS*.THydrogen-bonded Turntrans-85.4-35.8175.3-177.30000111.6C1792 P1797 M1798C1792-V1794 PolarHBondContact O-N 3.35Å; V1794-P1797 WeakPolarHBondContact O-CD 3.41Å; V1794-M1798 WeakPolarHBondContact O-CG 3.43Å
1795C80.3Confident77Confident14 Ų1456.7 Ų56.710%0.09530%0.301CS..THydrogen-bonded Turntrans-82.7-30.3-178.9-61.40000112.7C1792 M1798 T1804C1792-C1795 HydrophobicContact CB-CB 3.85Å; C1792-C1795 PolarHBondContact O-N 3.05Å; C1792-C1795 PolarHBondContact SG-SG 3.4Å; C1795-M1798 WeakPolarHBondContact O-CB 3.29Å; C1795-M1798 PolarHBondContact O-N 3.18Å; C1795-M1798 VanDerWaalsContact O-N 3.08Å; C1795-T1804 HydrophobicContact CB-CG2 3.87Å
1796Q77.3Confident76.8Confident121 Ų12156.6 Ų56.657%0.56530%0.301SS*.THydrogen-bonded Turntrans-52.7-45.4179.4-174-174.212.600114R1789 C1792 M1798R1789-Q1796 PolarHBondContact O-N 2.82Å; C1792-Q1796 PolarHBondContact O-N 3.11Å; Q1796-M1798 VanDerWaalsContact C-N 3.32Å; Q1796-M1798 PolarHBondContact O-N 3.46Å
1797P77.2Confident77Confident97 Ų9749.2 Ų49.263%0.6327%0.273SS*.THydrogen-bonded Turntrans-82.5-2.8178.832.9-37.6000114.4S1793 V1794S1793-P1797 VanDerWaalsContact O-CD 3.29Å; S1793-P1797 WeakPolarHBondContact O-CD 3.49Å; V1794-P1797 WeakPolarHBondContact O-CD 3.41Å
1798M73.6Confident76.9Confident70 Ų7047.1 Ų47.135%0.34526%0.262SS..  trans-77.2125.3-175-72.1-69.6-75.500110.8V1794 C1795 Q1796 S1800 E1803 T1804V1794-M1798 WeakPolarHBondContact O-CG 3.43Å; C1795-M1798 WeakPolarHBondContact O-CB 3.29Å; C1795-M1798 PolarHBondContact O-N 3.18Å; C1795-M1798 VanDerWaalsContact O-N 3.08Å; Q1796-M1798 VanDerWaalsContact C-N 3.32Å; Q1796-M1798 PolarHBondContact O-N 3.46Å; M1798-S1800 VanDerWaalsContact C-N 3.3Å; M1798-S1800 PolarHBondContact O-N 3.28Å; M1798-E1803 HydrophobicContact CE-CB 4.17Å; M1798-E1803 WeakPolarHBondContact CE-OE2 3.32Å; M1798-T1804 HydrophobicContact CB-CG2 3.62Å; M1798-T1804 HydrophobicContact CG-CG2 4.37Å
1799P67.3Low76.9Confident115 Ų11547.9 Ų47.975%0.74727%0.267SS*.SBendtrans-77.3-15.2-175.929.1-33.8000113.6
1800S67.9Low77Confident33 Ų3345.7 Ų45.723%0.23126%0.26CS..  trans-105.1129.6-174.8173.40000111.4M1798 F1802 T1804M1798-S1800 VanDerWaalsContact C-N 3.3Å; M1798-S1800 PolarHBondContact O-N 3.28Å; S1800-F1802 PolarHBondContact O-N 2.92Å; S1800-F1802 PolarHBondContact OG-N 3.17Å; S1800-T1804 PolarHBondContact O-OG1 2.94Å
1801I66.5Low77.2Confident1 Ų143.1 Ų43.11%0.00525%0.249CC..G310 helixtrans-69.3-23.5175.666.4165000112.8E1803 T1804 L1808 I1870I1801-E1803 PolarHBondContact O-N 3.4Å; I1801-T1804 WeakPolarHBondContact CA-OG1 3.19Å; I1801-T1804 PolarHBondContact O-N 3.05Å; I1801-T1804 PolarHBondContact O-OG1 3.49Å; I1801-L1808 HydrophobicContact CD1-CD2 4.17Å; I1801-I1870 HydrophobicContact CG2-CB 4.15Å; I1801-I1870 HydrophobicContact CG2-CG2 3.47Å; I1801-I1870 VanDerWaalsContact CG2-CG2 3.47Å
1802F67.7Low77.6Confident28 Ų2841.8 Ų41.812%0.12324%0.243CC..G310 helixtrans-73.3-15.3-172.2-61.2-78000113.1K1679 P1753 S1800K1679-F1802 HydrophobicContact CB-CE1 4.35Å; K1679-F1802 HydrophobicContact CB-CZ 4.2Å; K1679-F1802 HydrophobicContact CD-CE2 4.31Å; K1679-F1802 VanDerWaalsContact O-CE1 3.31Å; K1679-F1802 WeakPolarHBondContact O-CE1 3.42Å; P1753-F1802 WeakPolarHBondContact CD-O 3.48Å; S1800-F1802 PolarHBondContact O-N 2.92Å; S1800-F1802 PolarHBondContact OG-N 3.17Å
1803E72.3Confident78Confident119 Ų11940.6 Ų40.656%0.55623%0.233SC*.G310 helixtrans-116.313178.7-60.6-175.1161.100112.3S1751 M1798 I1801S1751-E1803 CarbonylContact O-C 3.58Å; M1798-E1803 HydrophobicContact CE-CB 4.17Å; M1798-E1803 WeakPolarHBondContact CE-OE2 3.32Å; I1801-E1803 PolarHBondContact O-N 3.4Å
1804T76Confident78Confident0 Ų037.4 Ų37.40%021%0.211CC..SBendtrans-128.3149.9177.962.60000110.9S1751 C1795 M1798 S1800 I1801 A1806S1751-T1804 CarbonylContact O-C 3.49Å; S1751-T1804 WeakPolarHBondContact O-CA 3.38Å; S1751-T1804 PolarHBondContact O-N 3.45Å; C1795-T1804 HydrophobicContact CB-CG2 3.87Å; M1798-T1804 HydrophobicContact CB-CG2 3.62Å; M1798-T1804 HydrophobicContact CG-CG2 4.37Å; S1800-T1804 PolarHBondContact O-OG1 2.94Å; I1801-T1804 WeakPolarHBondContact CA-OG1 3.19Å; I1801-T1804 PolarHBondContact O-N 3.05Å; I1801-T1804 PolarHBondContact O-OG1 3.49Å; T1804-A1806 PolarHBondContact O-N 2.72Å
1805P81.8Confident77.5Confident6 Ų634.4 Ų34.44%0.03919%0.193CC..  trans-65.1119.5173.725.7-31.1000110.4L1788L1788-P1805 HydrophobicContact CB-CB 4.24Å; L1788-P1805 HydrophobicContact CB-CG 4.24Å
1806A84.4Confident76.4Confident0 Ų036 Ų360%020%0.199CC..  trans-149.6157177.100000110.3P1753 W1754 T1804P1753-A1806 CarbonylContact C-O 3.55Å; P1753-A1806 WeakPolarHBondContact CA-O 3.37Å; W1754-A1806 PolarHBondContact N-O 3.36Å; T1804-A1806 PolarHBondContact O-N 2.72Å
1807I89.2Confident75Confident0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-99.4118.3175.9-53.9173.1000108.6W1740 L1747 I1756 L1781 T1784 S1785W1740-I1807 HydrophobicContact CH2-CD1 4.18Å; W1740-I1807 HydrophobicContact CZ2-CD1 4.1Å; L1747-I1807 HydrophobicContact CD1-CD1 3.93Å; L1747-I1807 HydrophobicContact CD1-CG1 4.06Å; I1756-I1807 HydrophobicContact CD1-CD1 3.98Å; I1756-I1807 HydrophobicContact CD1-CG1 4.14Å; I1756-I1807 HydrophobicContact CD1-CG2 3.84Å; I1756-I1807 HydrophobicContact CG1-CG2 4.29Å; L1781-I1807 HydrophobicContact CD2-CD1 4.11Å; L1781-I1807 HydrophobicContact CD2-CG2 4.31Å; T1784-I1807 HydrophobicContact CG2-CD1 3.82Å; S1785-I1807 PolarHBondContact OG-N 3.3Å
1808L83.9Confident73.6Confident18 Ų1834.5 Ų34.59%0.09419%0.189CC..EExtended strand (participates in β ladder)trans-86.3-41.7179.1-60.4177.3000111.9P1753 W1754 R1755 I1801 I1865P1753-L1808 HydrophobicContact CB-CD1 3.94Å; P1753-L1808 HydrophobicContact CB-CD2 4.08Å; P1753-L1808 HydrophobicContact CB-CG 3.9Å; P1753-L1808 HydrophobicContact CG-CD1 4.29Å; W1754-L1808 PolarHBondContact O-N 3.31Å; R1755-L1808 HydrophobicContact CG-CB 4.09Å; R1755-L1808 HydrophobicContact CG-CD1 4.33Å; I1801-L1808 HydrophobicContact CD1-CD2 4.17Å; L1808-I1865 PolarHBondContact O-N 2.88Å
1809S84.4Confident72Confident19 Ų1936.5 Ų36.513%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-157.7157.517962.50000111.5R1755 I1756R1755-S1809 WeakPolarHBondContact CA-O 3.16Å; R1755-S1809 WeakPolarHBondContact CG-OG 3.42Å; I1756-S1809 PolarHBondContact N-O 3.03Å
1810A85.6Confident70.7Confident3 Ų333.7 Ų33.73%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-133.8143.9172.100000110.6I1756 L1776 L1781 I1863I1756-A1810 HydrophobicContact CB-CB 4.38Å; I1756-A1810 CarbonylContact O-C 3.56Å; I1756-A1810 VanDerWaalsContact O-CA 3.3Å; I1756-A1810 WeakPolarHBondContact O-CA 2.98Å; L1776-A1810 HydrophobicContact CD2-CB 3.98Å; L1781-A1810 HydrophobicContact CD1-CB 4.11Å; A1810-I1863 PolarHBondContact N-O 3.43Å; A1810-I1863 PolarHBondContact O-N 3.16Å
1811C85.5Confident69.5Low17 Ų1735.3 Ų35.312%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-134.1130.1176.5-177.80000109.6I1756 V1757 I1758 S1860I1756-C1811 PolarHBondContact O-N 3.45Å; V1757-C1811 WeakPolarHBondContact CA-O 3.49Å; I1758-C1811 PolarHBondContact N-O 2.99Å; C1811-S1860 VanDerWaalsContact SG-CB 3.55Å
1812L84.8Confident68.6Low8 Ų837.8 Ų37.84%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-96.7133.6169.6-177.766000109I1758 L1764 L1769 W1772 L1776 S1860I1758-L1812 HydrophobicContact CB-CD1 4Å; I1758-L1812 HydrophobicContact CG2-CD1 3.69Å; I1758-L1812 CarbonylContact O-C 2.83Å; I1758-L1812 WeakPolarHBondContact O-CA 3.49Å; L1764-L1812 HydrophobicContact CD1-CD2 3.99Å; L1764-L1812 HydrophobicContact CD1-CG 4.2Å; L1764-L1812 HydrophobicContact CD2-CD2 4.13Å; L1769-L1812 HydrophobicContact CD1-CD2 4.07Å; W1772-L1812 HydrophobicContact CB-CD2 3.86Å; W1772-L1812 HydrophobicContact CD2-CD1 4.41Å; W1772-L1812 HydrophobicContact CG-CD1 4.26Å; W1772-L1812 HydrophobicContact CG-CD2 4.04Å; L1776-L1812 HydrophobicContact CD1-CB 4.38Å; L1812-S1860 WeakPolarHBondContact O-CA 3.14Å
1813I81.2Confident67.7Low19 Ų1939.6 Ų39.610%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-131.7144.4175.665.9178.9000109.7V1757 I1758 G1759 R1760V1757-I1813 HydrophobicContact CG1-CD1 3.86Å; V1757-I1813 HydrophobicContact CG1-CG1 4.32Å; V1757-I1813 HydrophobicContact CG1-CG2 4.49Å; I1758-I1813 WeakPolarHBondContact O-CG1 3.32Å; I1758-I1813 PolarHBondContact O-N 3.31Å; G1759-I1813 CarbonylContact C-O 3.59Å; G1759-I1813 WeakPolarHBondContact CA-O 3.38Å; R1760-I1813 PolarHBondContact N-O 2.85Å
1814S73.8Confident66.9Low6 Ų636.4 Ų36.44%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-107133.8169.8-177.30000109.4R1760 G1762R1760-S1814 CarbonylContact O-C 3.58Å; G1762-S1814 PolarHBondContact O-OG 3.42Å
1815T67.7Low65.4Low28 Ų2838.3 Ų38.317%0.17221%0.213CC..EExtended strand (participates in β ladder)trans-118.692.2176.549.40000108R1760 G1762R1760-T1815 PolarHBondContact O-N 2.97Å; R1760-T1815 PolarHBondContact O-OG1 3.16Å; G1762-T1815 PolarHBondContact N-O 3.32Å
1816E57Low63.8Low47 Ų4744 Ų4422%0.2224%0.243CC..  trans-80.2129.1170.8-68.2-179.8-135.500108.5S1053 R1763 D1818S1053-E1816 PolarHBondContact OG-OE1 2.72Å; R1763-E1816 HydrophobicContact CG-CG 3.87Å; R1763-E1816 VanDerWaalsContact CG-OE1 3.3Å; R1763-E1816 WeakPolarHBondContact CG-OE1 3.43Å; R1763-E1816 WeakPolarHBondContact CG-OE2 3.5Å; R1763-E1816 IonicContact CZ-OE1 2.76Å; R1763-E1816 IonicContact CZ-OE2 3.05Å; R1763-E1816 IonicContact NE-OE1 3.38Å; R1763-E1816 IonicContact NE-OE2 3.75Å; R1763-E1816 PolarHBondContact NE-OE2 3.48Å; R1763-E1816 IonicContact NH2-OE1 3.85Å; R1763-E1816 IonicContact NH2-OE2 3.98Å; R1763-E1816 PolarHBondContact NH2-OE2 3.29Å; E1816-D1818 PolarHBondContact O-N 2.92Å; E1816-D1818 VanDerWaalsContact O-N 3.12Å
1817L48.3Very low62.2Low131 Ų13145.9 Ų45.969%0.68626%0.256SS*.  trans-66.4111.8162.9-78.4172.7000106.6F1761 P1819F1761-L1817 HydrophobicContact CE1-CD1 4.2Å; F1761-L1817 HydrophobicContact CE2-CD1 4.27Å; F1761-L1817 HydrophobicContact CE2-CD2 4.49Å; F1761-L1817 HydrophobicContact CE2-CG 4.07Å; F1761-L1817 HydrophobicContact CZ-CD1 3.49Å; F1761-L1817 VanDerWaalsContact CZ-CD1 3.49Å; F1761-L1817 HydrophobicContact CZ-CD2 4.46Å; F1761-L1817 HydrophobicContact CZ-CG 3.76Å; L1817-P1819 WeakPolarHBondContact O-CD 3.38Å
1818D46Very low60.2Low56 Ų5650.8 Ų50.830%0.29928%0.277SS..  trans-72.2108.1166.3-174.8-4.4000107.7E1816 S1820 L1821 M1855E1816-D1818 PolarHBondContact O-N 2.92Å; E1816-D1818 VanDerWaalsContact O-N 3.12Å; D1818-S1820 PolarHBondContact O-N 2.83Å; D1818-S1820 WeakPolarHBondContact OD1-CA 3.33Å; D1818-S1820 VanDerWaalsContact OD1-CB 3.25Å; D1818-S1820 WeakPolarHBondContact OD1-CB 3.32Å; D1818-S1820 PolarHBondContact OD1-N 3.07Å; D1818-S1820 PolarHBondContact OD1-OG 3.13Å; D1818-S1820 PolarHBondContact OD2-OG 2.98Å; D1818-S1820 VanDerWaalsContact OD2-OG 3.06Å; D1818-L1821 HydrophobicContact CB-CB 4.39Å; D1818-L1821 PolarHBondContact O-N 2.98Å; D1818-M1855 WeakPolarHBondContact OD2-CE 3.38Å
1819P40.7Very low58.6Low113 Ų11353.7 Ų53.773%0.73430%0.295SS*.THydrogen-bonded Turntrans-63.8-13.9177.930-35.7000111.6M1235 L1817M1235-P1819 WeakPolarHBondContact CE-O 3.41Å; L1817-P1819 WeakPolarHBondContact O-CD 3.38Å
1820S39.7Very low56.6Low56 Ų5659.1 Ų59.139%0.39232%0.318SS..THydrogen-bonded Turntrans-93.3-4.5-17880.40000114.6D1818 R1822D1818-S1820 PolarHBondContact O-N 2.83Å; D1818-S1820 WeakPolarHBondContact OD1-CA 3.33Å; D1818-S1820 VanDerWaalsContact OD1-CB 3.25Å; D1818-S1820 WeakPolarHBondContact OD1-CB 3.32Å; D1818-S1820 PolarHBondContact OD1-N 3.07Å; D1818-S1820 PolarHBondContact OD1-OG 3.13Å; D1818-S1820 PolarHBondContact OD2-OG 2.98Å; D1818-S1820 VanDerWaalsContact OD2-OG 3.06Å; S1820-R1822 PolarHBondContact O-N 2.94Å
1821L42.6Very low54.8Low66 Ų6660.4 Ų60.435%0.34633%0.325SS..  trans-66.799.2-179.4-162.893.2000110.9D1818 H1853 M1855D1818-L1821 HydrophobicContact CB-CB 4.39Å; D1818-L1821 PolarHBondContact O-N 2.98Å; L1821-H1853 HydrophobicContact CD2-CB 4.49Å; L1821-H1853 WeakPolarHBondContact CD2-O 2.96Å; L1821-M1855 HydrophobicContact CD1-CB 4.41Å; L1821-M1855 HydrophobicContact CD1-CE 3.68Å; L1821-M1855 HydrophobicContact CD1-CG 3.59Å; L1821-M1855 HydrophobicContact CD1-SD 3.84Å
1822R48.9Very low53Low53 Ų5367.2 Ų67.220%0.236%0.36CS..  trans-103.1123.8175.7-71.5-177.5-170.3164.96.2109.7V151 M1235 S1236 T1241 S1820 F1824V151-R1822 PolarHBondContact O-NH1 3.36Å; V151-R1822 VanDerWaalsContact O-NH1 3.09Å; V151-R1822 PolarHBondContact O-NH2 2.87Å; M1235-R1822 VanDerWaalsContact CE-NH2 3.35Å; S1236-R1822 PolarHBondContact OG-NH1 2.96Å; T1241-R1822 PolarHBondContact OG1-NH1 2.88Å; T1241-R1822 VanDerWaalsContact OG1-NH1 3.1Å; S1820-R1822 PolarHBondContact O-N 2.94Å; R1822-F1824 HydrophobicContact CB-CD2 4.4Å; R1822-F1824 HydrophobicContact CB-CE2 3.74Å; R1822-F1824 HydrophobicContact CB-CZ 3.98Å; R1822-F1824 VanDerWaalsContact O-CD2 3.28Å; R1822-F1824 WeakPolarHBondContact O-CD2 2.96Å; R1822-F1824 WeakPolarHBondContact O-CE2 3.47Å
1823I48.7Very low51.3Low67 Ų6774.3 Ų74.334%0.34439%0.386SS..  trans-84.1124.8171-56.8176.2000107P1825 V1849I1823-P1825 WeakPolarHBondContact O-CD 3.38Å; I1823-V1849 HydrophobicContact CG2-CG1 4.22Å
1824F54.1Low49.6Very low52 Ų5278.5 Ų78.523%0.22840%0.404CS..  trans-106.683.3177.9-66.1-91.5000109.1S1238 T1241 M1242 R1822 D1826 S1827S1238-F1824 WeakPolarHBondContact O-CE1 3.45Å; T1241-F1824 HydrophobicContact CG2-CE1 3.96Å; T1241-F1824 HydrophobicContact CG2-CZ 3.73Å; M1242-F1824 HydrophobicContact CG-CD1 3.64Å; M1242-F1824 HydrophobicContact CG-CE1 3.86Å; M1242-F1824 HydrophobicContact SD-CD1 4.18Å; M1242-F1824 HydrophobicContact SD-CE1 4.36Å; R1822-F1824 HydrophobicContact CB-CD2 4.4Å; R1822-F1824 HydrophobicContact CB-CE2 3.74Å; R1822-F1824 HydrophobicContact CB-CZ 3.98Å; R1822-F1824 VanDerWaalsContact O-CD2 3.28Å; R1822-F1824 WeakPolarHBondContact O-CD2 2.96Å; R1822-F1824 WeakPolarHBondContact O-CE2 3.47Å; F1824-D1826 PolarHBondContact O-N 2.97Å; F1824-S1827 VanDerWaalsContact CB-OG 3.28Å; F1824-S1827 WeakPolarHBondContact CB-OG 3.23Å; F1824-S1827 PolarHBondContact O-N 3.49Å; F1824-S1827 VanDerWaalsContact O-N 3.08Å; F1824-S1827 PolarHBondContact O-OG 3.48Å
1825P46.3Very low48.3Very low40 Ų4080.5 Ų80.526%0.2643%0.425SS..G310 helixtrans-55.8-35.7-174.820-30.6000112.3I1823 S1827 V1849I1823-P1825 WeakPolarHBondContact O-CD 3.38Å; P1825-S1827 PolarHBondContact O-N 2.94Å; P1825-V1849 HydrophobicContact CB-CG2 4.31Å; P1825-V1849 HydrophobicContact CG-CG2 4.44Å
1826D46.3Very low47.4Very low125 Ų12587 Ų8767%0.66845%0.454SS*.G310 helixtrans-77.80.3-177.3-53.6-22.6000114.7F1824F1824-D1826 PolarHBondContact O-N 2.97Å
1827S50.8Low46.7Very low39 Ų3991.2 Ų91.227%0.27348%0.478SS..G310 helixtrans-97.918.6-17569.60000114.3F1824 P1825 V1829F1824-S1827 VanDerWaalsContact CB-OG 3.28Å; F1824-S1827 WeakPolarHBondContact CB-OG 3.23Å; F1824-S1827 PolarHBondContact O-N 3.49Å; F1824-S1827 VanDerWaalsContact O-N 3.08Å; F1824-S1827 PolarHBondContact O-OG 3.48Å; P1825-S1827 PolarHBondContact O-N 2.94Å; S1827-V1829 PolarHBondContact O-N 3.44Å; S1827-V1829 VanDerWaalsContact O-N 3.15Å
1828F48.9Very low46.4Very low103 Ų10386.4 Ų86.445%0.45246%0.457SS..  trans-58.5118.2-177.8-176.5-113.8000112.4H1830 P1846F1828-H1830 AromaticContact CD1-CD2 3.86Å; F1828-H1830 AromaticContact CD1-NE2 3.88Å; F1828-H1830 HydrophobicContact CE1-CB 4.49Å; F1828-H1830 AromaticContact CE1-CD2 3.82Å; F1828-H1830 AromaticContact CE1-CE1 3.51Å; F1828-H1830 AromaticContact CE1-CG 3.69Å; F1828-H1830 AromaticContact CE1-ND1 3.5Å; F1828-H1830 WeakPolarHBondContact CE1-ND1 3.47Å; F1828-H1830 AromaticContact CE1-NE2 3.73Å; F1828-P1846 HydrophobicContact CB-CB 3.89Å; F1828-P1846 HydrophobicContact CB-CG 4.19Å; F1828-P1846 HydrophobicContact CD1-CB 4.43Å; F1828-P1846 HydrophobicContact CD1-CG 3.79Å; F1828-P1846 HydrophobicContact CD2-CB 3.43Å; F1828-P1846 VanDerWaalsContact CD2-CB 3.43Å; F1828-P1846 HydrophobicContact CD2-CG 3.18Å; F1828-P1846 HydrophobicContact CE1-CG 3.85Å; F1828-P1846 HydrophobicContact CE2-CB 4.03Å; F1828-P1846 HydrophobicContact CE2-CG 3.3Å; F1828-P1846 HydrophobicContact CG-CB 3.67Å; F1828-P1846 HydrophobicContact CG-CG 3.44Å; F1828-P1846 VanDerWaalsContact CG-CG 3.44Å; F1828-P1846 HydrophobicContact CZ-CG 3.63Å
1829V48.7Very low46.2Very low79 Ų7991.8 Ų91.848%0.47948%0.478SS..  trans-96.4109.5173.6-177.20000108T1274 S1827T1274-V1829 HydrophobicContact CG2-CG2 4.03Å; S1827-V1829 PolarHBondContact O-N 3.44Å; S1827-V1829 VanDerWaalsContact O-N 3.15Å
1830H43.4Very low46.3Very low133 Ų13394.2 Ų94.262%0.61648%0.479SS*.  trans-60.3140.6173-85.3-80.9000111F1828F1828-H1830 AromaticContact CD1-CD2 3.86Å; F1828-H1830 AromaticContact CD1-NE2 3.88Å; F1828-H1830 HydrophobicContact CE1-CB 4.49Å; F1828-H1830 AromaticContact CE1-CD2 3.82Å; F1828-H1830 AromaticContact CE1-CE1 3.51Å; F1828-H1830 AromaticContact CE1-CG 3.69Å; F1828-H1830 AromaticContact CE1-ND1 3.5Å; F1828-H1830 WeakPolarHBondContact CE1-ND1 3.47Å; F1828-H1830 AromaticContact CE1-NE2 3.73Å
1831D47.7Very low46.2Very low31 Ų3194.1 Ų94.117%0.16648%0.478CS..  trans-110.4112.3179.5-177.9-8.1000109.9R1276 R1280 R1833 F1834R1276-D1831 IonicContact CZ-OD2 2.68Å; R1276-D1831 IonicContact NH2-OD2 2.74Å; R1280-D1831 IonicContact CZ-OD2 3.37Å; R1280-D1831 IonicContact NH1-OD2 3.6Å; R1280-D1831 PolarHBondContact NH1-OD2 2.83Å; R1280-D1831 IonicContact NH2-OD2 2.88Å; R1280-D1831 PolarHBondContact NH2-OD2 3.16Å; D1831-R1833 PolarHBondContact O-N 2.98Å; D1831-R1833 VanDerWaalsContact O-N 3.12Å; D1831-R1833 PolarHBondContact OD1-N 3.23Å; D1831-R1833 IonicContact OD1-NE 3.63Å; D1831-F1834 HydrophobicContact CB-CD2 3.83Å; D1831-F1834 HydrophobicContact CB-CE2 4.28Å; D1831-F1834 PolarHBondContact O-N 2.9Å
1832D47.8Very low46.3Very low159 Ų15997.2 Ų97.285%0.8550%0.502SS*.THydrogen-bonded Turntrans-64.5-13.9-174.9-66.5-39.9000114
1833R48.6Very low45.7Very low157 Ų15799.9 Ų99.959%0.59252%0.52SS*.THydrogen-bonded Turntrans-80.5-19177.4-68.2-176.7-66.9173.64.3113.5R1280 D1293 D1831 G1835R1280-R1833 VanDerWaalsContact NH2-NH2 3.13Å; D1293-R1833 IonicContact OD2-CZ 3.8Å; D1293-R1833 IonicContact OD2-NH2 3.7Å; D1293-R1833 PolarHBondContact OD2-NH2 2.83Å; D1831-R1833 PolarHBondContact O-N 2.98Å; D1831-R1833 VanDerWaalsContact O-N 3.12Å; D1831-R1833 PolarHBondContact OD1-N 3.23Å; D1831-R1833 IonicContact OD1-NE 3.63Å; R1833-G1835 VanDerWaalsContact C-N 3.25Å; R1833-G1835 PolarHBondContact O-N 3.4Å
1834F46.4Very low45.2Very low108 Ų108100.4 Ų100.447%0.47453%0.53SS..SBendtrans-72.792.2163.3-77.5-81.6000106.6D1831 A1838D1831-F1834 HydrophobicContact CB-CD2 3.83Å; D1831-F1834 HydrophobicContact CB-CE2 4.28Å; D1831-F1834 PolarHBondContact O-N 2.9Å; F1834-A1838 HydrophobicContact CB-CB 3.49Å; F1834-A1838 VanDerWaalsContact CB-CB 3.49Å; F1834-A1838 HydrophobicContact CD1-CB 3.79Å; F1834-A1838 HydrophobicContact CG-CB 4.01Å
1835G45.3Very low44.2Very low47 Ų47102.7 Ų102.749%0.48555%0.548SS..  trans-47.9160.6177.200000111.3R1833 N1837 A1838R1833-G1835 VanDerWaalsContact C-N 3.25Å; R1833-G1835 PolarHBondContact O-N 3.4Å; G1835-N1837 PolarHBondContact O-N 3.25Å; G1835-A1838 PolarHBondContact O-N 3.02Å
1836Q48.8Very low43.6Very low166 Ų166102.2 Ų102.278%0.77655%0.545SS*.G310 helixtrans-44.6-23-171.8-68.3-178.4-3.500115.5A1838 K1839Q1836-A1838 PolarHBondContact O-N 3.45Å; Q1836-K1839 WeakPolarHBondContact O-CB 2.99Å; Q1836-K1839 PolarHBondContact O-N 3.15Å
1837N41.9Very low43.2Very low134 Ų134103.5 Ų103.572%0.71755%0.551SS**G310 helixtrans-64.6-27.8174.2-62.1-5000115.2G1835 K1839 Q1840G1835-N1837 PolarHBondContact O-N 3.25Å; N1837-K1839 VanDerWaalsContact C-N 3.26Å; N1837-K1839 PolarHBondContact O-N 3.07Å; N1837-Q1840 PolarHBondContact O-N 3.22Å; N1837-Q1840 VanDerWaalsContact O-N 3.15Å
1838A43.1Very low42.5Very low30 Ų30105.8 Ų105.825%0.24856%0.561CS.*G310 helixtrans-72.1-21.8176.800000113.1F1834 G1835 Q1836 Q1840 C1841F1834-A1838 HydrophobicContact CB-CB 3.49Å; F1834-A1838 VanDerWaalsContact CB-CB 3.49Å; F1834-A1838 HydrophobicContact CD1-CB 3.79Å; F1834-A1838 HydrophobicContact CG-CB 4.01Å; G1835-A1838 PolarHBondContact O-N 3.02Å; Q1836-A1838 PolarHBondContact O-N 3.45Å; A1838-Q1840 PolarHBondContact O-N 3.48Å; A1838-C1841 PolarHBondContact O-N 2.91Å
1839K41.9Very low41.8Very low170 Ų170105 Ų10574%0.73956%0.564SS**G310 helixtrans-67.4-17.2170.9-64.6-174.2176.6-175.10112.6Q1836 N1837Q1836-K1839 WeakPolarHBondContact O-CB 2.99Å; Q1836-K1839 PolarHBondContact O-N 3.15Å; N1837-K1839 VanDerWaalsContact C-N 3.26Å; N1837-K1839 PolarHBondContact O-N 3.07Å
1840Q41.8Very low41.1Very low163 Ų163106.6 Ų106.676%0.76257%0.574SS**G310 helixtrans-101.70.3176.2-67.4-177-11.100112.6N1837 A1838 P1842N1837-Q1840 PolarHBondContact O-N 3.22Å; N1837-Q1840 VanDerWaalsContact O-N 3.15Å; A1838-Q1840 PolarHBondContact O-N 3.48Å; Q1840-P1842 WeakPolarHBondContact O-CD 3.24Å
1841C39.2Very low40.6Very low55 Ų55102.9 Ų102.937%0.37256%0.563SS.*  trans-82.8110.8174.5-163.20000108.1A1838 L1843 S1844A1838-C1841 PolarHBondContact O-N 2.91Å; C1841-L1843 PolarHBondContact O-N 3.38Å; C1841-S1844 PolarHBondContact O-N 3.39Å
1842P44.3Very low39.8Very low131 Ų131105 Ų10585%0.85158%0.577SS**THydrogen-bonded Turntrans-64.72.7178.827.3-34.2000113.4Q1840Q1840-P1842 WeakPolarHBondContact O-CD 3.24Å
1843L36.6Very low39Very low109 Ų109103.3 Ų103.357%0.57156%0.564SS**THydrogen-bonded Turntrans-92.86.4176.6-66.9167.1000113.8I1300 C1841 T1845I1300-L1843 HydrophobicContact CD1-CD2 3.61Å; C1841-L1843 PolarHBondContact O-N 3.38Å; L1843-T1845 VanDerWaalsContact C-N 3.32Å; L1843-T1845 PolarHBondContact O-N 2.79Å
1844S36.5Very low38.3Very low78 Ų7899.2 Ų99.255%0.54555%0.553SS.*  trans-73.689.2167.967.30000109.5C1841 P1846C1841-S1844 PolarHBondContact O-N 3.39Å; S1844-P1846 VanDerWaalsContact C-CD 3.5Å; S1844-P1846 WeakPolarHBondContact O-CD 3.49Å
1845T34.3Very low37.6Very low99 Ų9996.9 Ų96.961%0.60754%0.544SS*.  trans-86106.7164.847.40000109.6L1843 D1848L1843-T1845 VanDerWaalsContact C-N 3.32Å; L1843-T1845 PolarHBondContact O-N 2.79Å; T1845-D1848 HydrophobicContact CG2-CB 4.47Å
1846P33.5Very low37Very low30 Ų3097.1 Ų97.120%0.19554%0.536CS..SBendtrans-119.2-11139.80.321.5000113.6F1828 S1844F1828-P1846 HydrophobicContact CB-CB 3.89Å; F1828-P1846 HydrophobicContact CB-CG 4.19Å; F1828-P1846 HydrophobicContact CD1-CB 4.43Å; F1828-P1846 HydrophobicContact CD1-CG 3.79Å; F1828-P1846 HydrophobicContact CD2-CB 3.43Å; F1828-P1846 VanDerWaalsContact CD2-CB 3.43Å; F1828-P1846 HydrophobicContact CD2-CG 3.18Å; F1828-P1846 HydrophobicContact CE1-CG 3.85Å; F1828-P1846 HydrophobicContact CE2-CB 4.03Å; F1828-P1846 HydrophobicContact CE2-CG 3.3Å; F1828-P1846 HydrophobicContact CG-CB 3.67Å; F1828-P1846 HydrophobicContact CG-CG 3.44Å; F1828-P1846 VanDerWaalsContact CG-CG 3.44Å; F1828-P1846 HydrophobicContact CZ-CG 3.63Å; S1844-P1846 VanDerWaalsContact C-CD 3.5Å; S1844-P1846 WeakPolarHBondContact O-CD 3.49Å
1847D38.2Very low36.2Very low152 Ų15292.8 Ų92.881%0.81352%0.515SS*.SBendtrans-85.5-11-176.4-65.9-23.9000113.8
1848D35.4Very low35.8Very low87 Ų8787.5 Ų87.547%0.46549%0.488SS..  trans-105.599-176.7-156.5-16.7000111.2T1845 T1850T1845-D1848 HydrophobicContact CG2-CB 4.47Å; D1848-T1850 PolarHBondContact O-N 3.25Å; D1848-T1850 WeakPolarHBondContact OD1-CB 3.31Å; D1848-T1850 WeakPolarHBondContact OD1-CG2 3.08Å; D1848-T1850 PolarHBondContact OD1-N 3.29Å; D1848-T1850 PolarHBondContact OD1-OG1 3.04Å; D1848-T1850 PolarHBondContact OD2-OG1 3.15Å
1849V34.7Very low35.5Very low87 Ų8788.3 Ų88.353%0.52749%0.489SS..THydrogen-bonded Turntrans-66.68.3179.8-147.30000113.1I1823 P1825 C1851I1823-V1849 HydrophobicContact CG2-CG1 4.22Å; P1825-V1849 HydrophobicContact CB-CG2 4.31Å; P1825-V1849 HydrophobicContact CG-CG2 4.44Å; V1849-C1851 VanDerWaalsContact C-N 3.29Å
1850T33.2Very low35.3Very low113 Ų11381.9 Ų81.969%0.69347%0.466SS*.THydrogen-bonded Turntrans-77.1-11.1178.1530000113.4D1848 T1852D1848-T1850 PolarHBondContact O-N 3.25Å; D1848-T1850 WeakPolarHBondContact OD1-CB 3.31Å; D1848-T1850 WeakPolarHBondContact OD1-CG2 3.08Å; D1848-T1850 PolarHBondContact OD1-N 3.29Å; D1848-T1850 PolarHBondContact OD1-OG1 3.04Å; D1848-T1850 PolarHBondContact OD2-OG1 3.15Å; T1850-T1852 PolarHBondContact O-N 3.32Å
1851C33.5Very low35.1Very low55 Ų5574.8 Ų74.837%0.37244%0.435SS..  trans-83.3108.9170.9800000111.5V1849 H1853V1849-C1851 VanDerWaalsContact C-N 3.29Å; C1851-H1853 PolarHBondContact O-N 2.96Å
1852T29.9Very low35.2Very low75 Ų7575.7 Ų75.746%0.4644%0.436SS..  trans-72.9106.416946.60000109.4T1850 I1854 C1941T1850-T1852 PolarHBondContact O-N 3.32Å; T1852-I1854 PolarHBondContact O-N 2.97Å; T1852-C1941 PolarHBondContact OG1-SG 3.42Å
1853H32.8Very low35.5Very low124 Ų12469.6 Ų69.657%0.57440%0.396SS*.  trans-71.7122.5161.3-69.3-76.7000107.7L1821 C1851L1821-H1853 HydrophobicContact CD2-CB 4.49Å; L1821-H1853 WeakPolarHBondContact CD2-O 2.96Å; C1851-H1853 PolarHBondContact O-N 2.96Å
1854I33.1Very low35.9Very low71 Ų7170.3 Ų70.336%0.36440%0.397SS..  trans-111.2118.4172.9-63.4169.8000105.8T1852 V1856 L1937T1852-I1854 PolarHBondContact O-N 2.97Å; I1854-V1856 HydrophobicContact CG2-CG2 4.19Å; I1854-V1856 PolarHBondContact O-N 3.05Å; I1854-L1937 HydrophobicContact CB-CD2 3.61Å; I1854-L1937 HydrophobicContact CD1-CD2 3.68Å; I1854-L1937 HydrophobicContact CG1-CD2 4.21Å; I1854-L1937 HydrophobicContact CG2-CD2 3.54Å
1855M32.2Very low36.3Very low59 Ų5967.1 Ų67.129%0.29137%0.373SS..  trans-75115.2168.1-71.4-162.5-47.800108W1275 D1818 L1821 F1857W1275-M1855 HydrophobicContact CZ3-SD 4.47Å; D1818-M1855 WeakPolarHBondContact OD2-CE 3.38Å; L1821-M1855 HydrophobicContact CD1-CB 4.41Å; L1821-M1855 HydrophobicContact CD1-CE 3.68Å; L1821-M1855 HydrophobicContact CD1-CG 3.59Å; L1821-M1855 HydrophobicContact CD1-SD 3.84Å; M1855-F1857 HydrophobicContact CB-CE2 4.44Å; M1855-F1857 HydrophobicContact CE-CE2 4.25Å; M1855-F1857 HydrophobicContact CE-CZ 4.14Å
1856V31.3Very low36.8Very low52 Ų5268 Ų6832%0.31537%0.374SS..  trans-96.2118.4170.5-178.70000107I1854 P1858 L1937I1854-V1856 HydrophobicContact CG2-CG2 4.19Å; I1854-V1856 PolarHBondContact O-N 3.05Å; V1856-P1858 WeakPolarHBondContact O-CD 3.05Å; V1856-L1937 HydrophobicContact CG2-CD1 3.68Å; V1856-L1937 HydrophobicContact CG2-CD2 3.67Å; V1856-L1937 HydrophobicContact CG2-CG 4.03Å
1857F33.8Very low37.2Very low74 Ų7469.7 Ų69.733%0.32538%0.38SS..  trans-88.2102166-68.6-83.7000107.3Y780 M1855 T1859Y780-F1857 WeakPolarHBondContact OH-CD1 3.15Å; M1855-F1857 HydrophobicContact CB-CE2 4.44Å; M1855-F1857 HydrophobicContact CE-CE2 4.25Å; M1855-F1857 HydrophobicContact CE-CZ 4.14Å; F1857-T1859 PolarHBondContact O-N 2.7Å
1858P31.6Very low37.4Very low24 Ų2467.1 Ų67.116%0.15637%0.373CS..  trans-70.398.4174.628.4-32000108.8I779 V1856 S1860I779-P1858 HydrophobicContact CB-CG 4.06Å; I779-P1858 HydrophobicContact CD1-CG 3.67Å; I779-P1858 HydrophobicContact CG1-CG 4.43Å; I779-P1858 HydrophobicContact CG2-CG 4.13Å; V1856-P1858 WeakPolarHBondContact O-CD 3.05Å; P1858-S1860 PolarHBondContact O-N 3.28Å
1859T36.9Very low37.6Very low46 Ų4666 Ų6628%0.28237%0.37SS..  trans-82.455.1154.7190000107.9F1857 A1861F1857-T1859 PolarHBondContact O-N 2.7Å; T1859-A1861 PolarHBondContact O-N 3.43Å
1860S38.2Very low37.9Very low36 Ų3662.4 Ų62.425%0.25235%0.348SS..  trans-91.4110.8-175.2590000111C1811 L1812 P1858C1811-S1860 VanDerWaalsContact SG-CB 3.55Å; L1812-S1860 WeakPolarHBondContact O-CA 3.14Å; P1858-S1860 PolarHBondContact O-N 3.28Å
1861A37.6Very low38Very low13 Ų1361.7 Ų61.711%0.10734%0.338CS..  trans-83.4123.4151.200000108.9T1859 L1908T1859-A1861 PolarHBondContact O-N 3.43Å; A1861-L1908 HydrophobicContact CB-CD1 3.28Å; A1861-L1908 HydrophobicContact CB-CD2 3.97Å; A1861-L1908 HydrophobicContact CB-CG 3.29Å; A1861-L1908 WeakPolarHBondContact CB-O 3.35Å
1862L42.1Very low38.3Very low74 Ų7463.4 Ų63.439%0.38735%0.347SS..EExtended strand (participates in β ladder)trans-101.8119.4-179.1-98.3152.5000108.7
1863I49.6Very low38.5Very low3 Ų362.6 Ų62.62%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-107.3112.1168.9-63.5174.1000107.8L1776 K1778 L1781 A1810 L1908L1776-I1863 HydrophobicContact CB-CD1 4.43Å; L1776-I1863 WeakPolarHBondContact O-CD1 3Å; K1778-I1863 HydrophobicContact CG-CG2 3.64Å; L1781-I1863 HydrophobicContact CD1-CG2 4.26Å; A1810-I1863 PolarHBondContact N-O 3.43Å; A1810-I1863 PolarHBondContact O-N 3.16Å; I1863-L1908 HydrophobicContact CD1-CB 4.26Å; I1863-L1908 HydrophobicContact CD1-CD1 3.41Å; I1863-L1908 VanDerWaalsContact CD1-CD1 3.41Å; I1863-L1908 HydrophobicContact CD1-CG 4.46Å; I1863-L1908 HydrophobicContact CG1-CD1 3.8Å
1864Q45Very low38.4Very low125 Ų12559.7 Ų59.758%0.58436%0.357SS*.EExtended strand (participates in β ladder)trans-99.5135.8169-72.9-173.8-18.600109.8
1865I46Very low38.2Very low10 Ų1063.2 Ų63.25%0.05138%0.376CS..PPolyproline II helixtrans-99.7122.2173.6-50.4175.9000107.8L1781 R1782 L1808 Q1867 I1870L1781-I1865 HydrophobicContact CB-CD1 3.47Å; L1781-I1865 VanDerWaalsContact CB-CD1 3.47Å; L1781-I1865 HydrophobicContact CD1-CD1 4.06Å; L1781-I1865 HydrophobicContact CG-CD1 4.44Å; R1782-I1865 HydrophobicContact CG-CG2 4.06Å; L1808-I1865 PolarHBondContact O-N 2.88Å; I1865-Q1867 PolarHBondContact O-N 2.71Å; I1865-I1870 HydrophobicContact CB-CD1 4.32Å; I1865-I1870 HydrophobicContact CG2-CD1 3.84Å; I1865-I1870 HydrophobicContact CG2-CG1 4.09Å
1866N43.5Very low38.1Very low118 Ų11866.9 Ų66.963%0.63140%0.404SS*.PPolyproline II helixtrans-63.4123.8-176.9-152-10.5000111.1C1868 C1869N1866-C1868 VanDerWaalsContact C-N 3.26Å; N1866-C1868 PolarHBondContact O-N 3.19Å; N1866-C1869 PolarHBondContact O-N 2.61Å
1867Q42.8Very low38Very low66 Ų6667.7 Ų67.731%0.30842%0.423SS..THydrogen-bonded Turntrans-59.1-34.2-171.5-71.3-176.56.400112.8D1680 I1865 C1869 I1870 M1871D1680-Q1867 PolarHBondContact OD1-NE2 3.11Å; I1865-Q1867 PolarHBondContact O-N 2.71Å; Q1867-C1869 VanDerWaalsContact C-N 3.25Å; Q1867-C1869 PolarHBondContact O-N 3.05Å; Q1867-I1870 PolarHBondContact O-N 3.3Å; Q1867-I1870 VanDerWaalsContact O-N 3.08Å; Q1867-M1871 PolarHBondContact O-N 3.06Å
1868C41.1Very low37.8Very low98 Ų9870 Ų7066%0.66244%0.443SS*.Hα-helixtrans-58.6-32.9176.7-94.40000113.5N1866 I1870N1866-C1868 VanDerWaalsContact C-N 3.26Å; N1866-C1868 PolarHBondContact O-N 3.19Å; C1868-I1870 VanDerWaalsContact C-N 3.26Å; C1868-I1870 PolarHBondContact O-N 3.11Å
1869C39.9Very low37.7Very low62 Ų6278.4 Ų78.442%0.41948%0.481SS..Hα-helixtrans-73.7-17179.5-630000113.1R1782 N1866 Q1867R1782-C1869 PolarHBondContact NH2-SG 3.09Å; R1782-C1869 VanDerWaalsContact NH2-SG 3.39Å; N1866-C1869 PolarHBondContact O-N 2.61Å; Q1867-C1869 VanDerWaalsContact C-N 3.25Å; Q1867-C1869 PolarHBondContact O-N 3.05Å
1870I40.9Very low37.6Very low13 Ų1384 Ų847%0.06750%0.504CS..Hα-helixtrans-96.7-30.3-177.6-45.1179.7000111I1801 I1865 Q1867 C1868I1801-I1870 HydrophobicContact CG2-CB 4.15Å; I1801-I1870 HydrophobicContact CG2-CG2 3.47Å; I1801-I1870 VanDerWaalsContact CG2-CG2 3.47Å; I1865-I1870 HydrophobicContact CB-CD1 4.32Å; I1865-I1870 HydrophobicContact CG2-CD1 3.84Å; I1865-I1870 HydrophobicContact CG2-CG1 4.09Å; Q1867-I1870 PolarHBondContact O-N 3.3Å; Q1867-I1870 VanDerWaalsContact O-N 3.08Å; C1868-I1870 VanDerWaalsContact C-N 3.26Å; C1868-I1870 PolarHBondContact O-N 3.11Å
1871M36.2Very low37.4Very low98 Ų9887.6 Ų87.648%0.48353%0.529SS..Hα-helixtrans-72.4-24.6-178.8-65.9-150.18200114.4Q1867 G1873Q1867-M1871 PolarHBondContact O-N 3.06Å; M1871-G1873 VanDerWaalsContact C-N 3.26Å; M1871-G1873 PolarHBondContact O-N 3.15Å
1872T39.9Very low37.4Very low90 Ų9096.1 Ų96.155%0.55257%0.566SS**THydrogen-bonded Turntrans-81.4-4.1-178.9520000113.9G1874T1872-G1874 PolarHBondContact O-N 3.36Å; T1872-G1874 VanDerWaalsContact O-N 3.12Å
1873G34.1Very low36.9Very low59 Ų5994.7 Ų94.761%0.60857%0.57SS**  trans44.949.9177.300000112.1M1871 L1875M1871-G1873 VanDerWaalsContact C-N 3.26Å; M1871-G1873 PolarHBondContact O-N 3.15Å; G1873-L1875 PolarHBondContact O-N 3.34Å
1874G31Very low36.3Very low62 Ų62100.4 Ų100.464%0.63960%0.6SS**  trans31.376.9179.100000113.9T1872T1872-G1874 PolarHBondContact O-N 3.36Å; T1872-G1874 VanDerWaalsContact O-N 3.12Å
1875L28.4Very low35.9Very low146 Ų146100.1 Ų100.176%0.76460%0.597SS**  trans-50.5124.9161.6-81163.5000107.5G1873 G1877G1873-L1875 PolarHBondContact O-N 3.34Å; L1875-G1877 PolarHBondContact O-N 3.4Å
1876P29.7Very low35.4Very low135 Ų135106.2 Ų106.288%0.87763%0.625SS**SBendtrans-7099.5-178.428.2-30.9000107.5
1877G30.2Very low35.1Very low70 Ų70103.1 Ų103.172%0.72261%0.613SS**  trans-163.1-4.3-174.700000116.6L1875L1875-G1877 PolarHBondContact O-N 3.4Å
1878T29.7Very low34.6Very low121 Ų121105 Ų10574%0.74263%0.625SS**SBendtrans-130.6114.8169.347.30000107.6E1880T1878-E1880 PolarHBondContact O-N 3.2Å
1879E30Very low34.4Very low202 Ų202106.3 Ų106.394%0.94462%0.616SS**  trans-59.584.3175.2-61.8-175.6165.100109.8S1881E1879-S1881 PolarHBondContact O-N 3.46Å
1880E33.7Very low34.3Very low164 Ų164109 Ų10977%0.76662%0.621SS**  trans-77.1102.7153.7-72.2-171.3175.700105.4T1878 E1882T1878-E1880 PolarHBondContact O-N 3.2Å; E1880-E1882 PolarHBondContact O-N 3.4Å
1881S34.7Very low34Very low111 Ų111114.3 Ų114.378%0.77665%0.649SS**  trans-45.3111.4171.9178.30000109.2E1879 G1883E1879-S1881 PolarHBondContact O-N 3.46Å; S1881-G1883 PolarHBondContact O-N 2.97Å
1882E36.1Very low33.9Very low192 Ų192113.7 Ų113.790%0.89765%0.647SS**  trans-62.479.8161.6-78.7-168.4153.700107.3E1880 D1884E1880-E1882 PolarHBondContact O-N 3.4Å; E1882-D1884 PolarHBondContact O-N 2.91Å; E1882-D1884 VanDerWaalsContact O-N 3.14Å
1883G32.2Very low33.8Very low44 Ų44112.5 Ų112.545%0.45464%0.636SS.*  trans-63.2113.1165.300000107.3S1881 F1885S1881-G1883 PolarHBondContact O-N 2.97Å; G1883-F1885 PolarHBondContact O-N 3.26Å
1884D36.8Very low33.8Very low123 Ų123116.9 Ų116.966%0.65864%0.644SS**  trans-37.8111.4175.9-108.5-28.7000110.8E1882 E1886 S1887 L1888E1882-D1884 PolarHBondContact O-N 2.91Å; E1882-D1884 VanDerWaalsContact O-N 3.14Å; D1884-E1886 PolarHBondContact O-N 2.72Å; D1884-S1887 WeakPolarHBondContact CB-OG 3.39Å; D1884-S1887 PolarHBondContact O-N 2.92Å; D1884-S1887 PolarHBondContact O-OG 3.35Å; D1884-L1888 PolarHBondContact O-N 3.09Å
1885F36.6Very low33.7Very low119 Ų119116 Ų11652%0.52263%0.634SS.*THydrogen-bonded Turntrans-54.7-22.1-178.6174.6-96000112.8R1737 G1883R1737-F1885 VanDerWaalsContact NH2-CE1 3.32Å; R1737-F1885 VanDerWaalsContact NH2-CZ 3.27Å; G1883-F1885 PolarHBondContact O-N 3.26Å
1886E36.5Very low34Very low137 Ų137115 Ų11564%0.6464%0.64SS**THydrogen-bonded Turntrans-91.7-21.5-179.4-151.6171.9-174.800113.8D1884 K1890D1884-E1886 PolarHBondContact O-N 2.72Å; E1886-K1890 PolarHBondContact O-N 3.04Å
1887S36.9Very low34.2Very low53 Ų53116.5 Ų116.537%0.37164%0.635SS.*Hα-helixtrans-81.5-44.2178.763.30000111.6D1884 W1889 K1890 D1891D1884-S1887 WeakPolarHBondContact CB-OG 3.39Å; D1884-S1887 PolarHBondContact O-N 2.92Å; D1884-S1887 PolarHBondContact O-OG 3.35Å; S1887-W1889 PolarHBondContact O-N 3.02Å; S1887-K1890 PolarHBondContact O-N 3.22Å; S1887-D1891 PolarHBondContact O-N 2.83Å
1888L32.4Very low34.5Very low106 Ų106116.1 Ų116.156%0.55563%0.631SS**Hα-helixtrans-60.6-31.7174.8-128152000112D1884 L1892D1884-L1888 PolarHBondContact O-N 3.09Å; L1888-L1892 HydrophobicContact CD2-CD1 4.05Å; L1888-L1892 WeakPolarHBondContact O-CD1 3.14Å; L1888-L1892 PolarHBondContact O-N 2.87Å
1889W36.6Very low34.8Very low126 Ų126116.2 Ų116.248%0.47763%0.627SS.*Hα-helixtrans-74.9-34.1175-168.579.3000113S1887 M1893S1887-W1889 PolarHBondContact O-N 3.02Å; W1889-M1893 HydrophobicContact CD2-CG 4.2Å; W1889-M1893 HydrophobicContact CE3-CG 4.49Å; W1889-M1893 HydrophobicContact CH2-CE 3.77Å; W1889-M1893 HydrophobicContact CZ2-CE 3.46Å; W1889-M1893 VanDerWaalsContact CZ2-CE 3.46Å; W1889-M1893 HydrophobicContact CZ2-CG 4.31Å; W1889-M1893 HydrophobicContact CZ2-SD 4.29Å; W1889-M1893 WeakPolarHBondContact O-CG 3.2Å; W1889-M1893 PolarHBondContact O-N 3.33Å
1890K38.2Very low35.3Very low119 Ų119109.3 Ų109.352%0.51761%0.61SS.*Hα-helixtrans-71.2-34.5174.9-88.1174.9179.1163.70112.7E1886 S1887 M1893 I1894E1886-K1890 PolarHBondContact O-N 3.04Å; S1887-K1890 PolarHBondContact O-N 3.22Å; K1890-M1893 PolarHBondContact O-N 3.41Å; K1890-I1894 WeakPolarHBondContact O-CG1 3.46Å
1891D34.4Very low35.7Very low124 Ų124103.4 Ų103.466%0.66358%0.584SS**Hα-helixtrans-70.9-34.6-179.3-69.5-22.6000112.2S1887 G1895S1887-D1891 PolarHBondContact O-N 2.83Å; D1891-G1895 PolarHBondContact O-N 3.06Å
1892L33.3Very low36Very low84 Ų84104.4 Ų104.444%0.4458%0.576SS.*Hα-helixtrans-76.3-24.7175.9-98.1118.2000114.5L1888 I1894 L1901L1888-L1892 HydrophobicContact CD2-CD1 4.05Å; L1888-L1892 WeakPolarHBondContact O-CD1 3.14Å; L1888-L1892 PolarHBondContact O-N 2.87Å; L1892-I1894 VanDerWaalsContact C-N 3.31Å; L1892-L1901 HydrophobicContact CD2-CD1 4.06Å
1893M39.5Very low36.4Very low66 Ų6699.7 Ų99.733%0.32556%0.564SS.*THydrogen-bonded Turntrans-88.3-4.5-177.2-60.2-79.6-77.900112.1E1730 W1889 K1890E1730-M1893 HydrophobicContact CB-CE 4.36Å; E1730-M1893 HydrophobicContact CG-CE 3.38Å; E1730-M1893 HydrophobicContact CG-SD 4.46Å; E1730-M1893 WeakPolarHBondContact OE1-CE 3.2Å; W1889-M1893 HydrophobicContact CD2-CG 4.2Å; W1889-M1893 HydrophobicContact CE3-CG 4.49Å; W1889-M1893 HydrophobicContact CH2-CE 3.77Å; W1889-M1893 HydrophobicContact CZ2-CE 3.46Å; W1889-M1893 VanDerWaalsContact CZ2-CE 3.46Å; W1889-M1893 HydrophobicContact CZ2-CG 4.31Å; W1889-M1893 HydrophobicContact CZ2-SD 4.29Å; W1889-M1893 WeakPolarHBondContact O-CG 3.2Å; W1889-M1893 PolarHBondContact O-N 3.33Å; K1890-M1893 PolarHBondContact O-N 3.41Å
1894I34.2Very low36.9Very low150 Ų15098.5 Ų98.577%0.76955%0.552SS**THydrogen-bonded Turntrans-123.4-11.1-177.7-57.3177.7000112.6K1890 L1892K1890-I1894 WeakPolarHBondContact O-CG1 3.46Å; L1892-I1894 VanDerWaalsContact C-N 3.31Å
1895G28.8Very low37.4Very low43 Ų4393 Ų9344%0.44352%0.523SS..  trans-102.4123.4177.900000114.2D1891 E1897D1891-G1895 PolarHBondContact O-N 3.06Å; G1895-E1897 PolarHBondContact O-N 2.82Å
1896S34.3Very low37.9Very low125 Ų12592 Ų9287%0.87452%0.523SS*.SBendtrans-80.813.8167.460.50000113.7
1897E34Very low38.3Very low168 Ų16887.9 Ų87.979%0.78551%0.505SS*.  trans-120.5121.3-177.8-60.5-166.416400107.9G1895G1895-E1897 PolarHBondContact O-N 2.82Å
1898G36.7Very low38.8Very low61 Ų6185.7 Ų85.763%0.62949%0.489SS*.  trans-103.22.6-143.200000117G1900G1898-G1900 PolarHBondContact O-N 2.94Å
1899D35.5Very low39.2Very low124 Ų12483.9 Ų83.966%0.66348%0.477SS*.G310 helixtrans-61.9-28.7-163.8-53.757.2000113.1L1901 E1902D1899-L1901 PolarHBondContact O-N 2.89Å; D1899-E1902 PolarHBondContact O-N 3.45Å
1900G39.7Very low39.2Very low57 Ų5778.8 Ų78.859%0.58846%0.463SS*.G310 helixtrans-6721.3178.800000116.5G1898G1898-G1900 PolarHBondContact O-N 2.94Å
1901L41.5Very low39Very low40 Ų4076.6 Ų76.621%0.20946%0.463CS..G310 helixtrans-125.5-10.1-178.5-151.979.7000113.6K1770 L1892 D1899 S1903 L1905K1770-L1901 HydrophobicContact CB-CD2 4.4Å; K1770-L1901 HydrophobicContact CD-CD2 3.82Å; K1770-L1901 HydrophobicContact CG-CD2 4.04Å; L1892-L1901 HydrophobicContact CD2-CD1 4.06Å; D1899-L1901 PolarHBondContact O-N 2.89Å; L1901-S1903 VanDerWaalsContact C-N 3.32Å; L1901-S1903 PolarHBondContact O-N 2.93Å; L1901-L1905 HydrophobicContact CD2-CD1 3.79Å; L1901-L1905 HydrophobicContact CG-CD1 4.2Å
1902E42.3Very low38.8Very low131 Ų13174.9 Ų74.961%0.61245%0.453SS*.Hα-helixtrans-62.8-35.3-174.1-70.6-168157.600113.2D1899 N1906D1899-E1902 PolarHBondContact O-N 3.45Å; E1902-N1906 VanDerWaalsContact O-CB 3.27Å; E1902-N1906 WeakPolarHBondContact O-CB 3.29Å; E1902-N1906 PolarHBondContact O-N 2.98Å; E1902-N1906 PolarHBondContact O-ND2 2.78Å
1903S44.1Very low38.7Very low94 Ų9475 Ų7566%0.65746%0.457SS*.Hα-helixtrans-67.4-39.5-176.253.80000113.7L1901 D1907L1901-S1903 VanDerWaalsContact C-N 3.32Å; L1901-S1903 PolarHBondContact O-N 2.93Å; S1903-D1907 PolarHBondContact O-N 2.85Å
1904G42.8Very low38.1Very low18 Ų1876.2 Ų76.219%0.18647%0.465CS..Hα-helixtrans-74.4-34-178.900000113.8
1905L46.3Very low37.9Very low9 Ų975 Ų755%0.04747%0.465CS..Hα-helixtrans-77.1-36.2176.6-75.1162.3000111.5M1061 A1773 L1901 D1907 L1908 F1909M1061-L1905 HydrophobicContact SD-CB 4.42Å; M1061-L1905 HydrophobicContact SD-CD1 3.86Å; A1773-L1905 HydrophobicContact CB-CD2 3.57Å; A1773-L1905 HydrophobicContact CB-CG 4.33Å; L1901-L1905 HydrophobicContact CD2-CD1 3.79Å; L1901-L1905 HydrophobicContact CG-CD1 4.2Å; L1905-D1907 PolarHBondContact O-N 3.37Å; L1905-L1908 PolarHBondContact O-N 2.77Å; L1905-L1908 VanDerWaalsContact O-N 3.13Å; L1905-F1909 HydrophobicContact CD2-CE2 4.08Å; L1905-F1909 WeakPolarHBondContact O-CD2 3.46Å; L1905-F1909 PolarHBondContact O-N 3.09Å
1906N47.5Very low37.7Very low98 Ų9877.8 Ų77.852%0.52448%0.477SS..Hα-helixtrans-65.4-25.9171.7-72.5-18.5000112.4E1902 L1908 G1910E1902-N1906 VanDerWaalsContact O-CB 3.27Å; E1902-N1906 WeakPolarHBondContact O-CB 3.29Å; E1902-N1906 PolarHBondContact O-N 2.98Å; E1902-N1906 PolarHBondContact O-ND2 2.78Å; N1906-L1908 VanDerWaalsContact C-N 3.33Å; N1906-G1910 WeakPolarHBondContact O-CA 3.45Å; N1906-G1910 PolarHBondContact O-N 2.81Å
1907D46.5Very low37.3Very low50 Ų5078.2 Ų78.227%0.26747%0.469SS..Hα-helixtrans-72.1-29.4172.3-105-20.5000113.1K1778 S1903 L1905K1778-D1907 WeakPolarHBondContact CE-OD1 3.17Å; K1778-D1907 IonicContact NZ-OD1 3.19Å; K1778-D1907 PolarHBondContact NZ-OD1 3.23Å; S1903-D1907 PolarHBondContact O-N 2.85Å; L1905-D1907 PolarHBondContact O-N 3.37Å
1908L45.7Very low37Very low7 Ų778 Ų784%0.03747%0.47CS..Hα-helixtrans-82-37.2179.1-170.970.4000111.9A1773 A1861 I1863 L1905 N1906A1773-L1908 HydrophobicContact CB-CD2 3.62Å; A1861-L1908 HydrophobicContact CB-CD1 3.28Å; A1861-L1908 HydrophobicContact CB-CD2 3.97Å; A1861-L1908 HydrophobicContact CB-CG 3.29Å; A1861-L1908 WeakPolarHBondContact CB-O 3.35Å; I1863-L1908 HydrophobicContact CD1-CB 4.26Å; I1863-L1908 HydrophobicContact CD1-CD1 3.41Å; I1863-L1908 VanDerWaalsContact CD1-CD1 3.41Å; I1863-L1908 HydrophobicContact CD1-CG 4.46Å; I1863-L1908 HydrophobicContact CG1-CD1 3.8Å; L1905-L1908 PolarHBondContact O-N 2.77Å; L1905-L1908 VanDerWaalsContact O-N 3.13Å; N1906-L1908 VanDerWaalsContact C-N 3.33Å
1909F41.9Very low36.4Very low68 Ų6882 Ų8230%0.29848%0.476SS..Hα-helixtrans-107.3-27.4-178-64.6-68.5000114.7L1769 L1905 S1911 I1912L1769-F1909 HydrophobicContact CD2-CZ 4.48Å; L1905-F1909 HydrophobicContact CD2-CE2 4.08Å; L1905-F1909 WeakPolarHBondContact O-CD2 3.46Å; L1905-F1909 PolarHBondContact O-N 3.09Å; F1909-S1911 VanDerWaalsContact C-N 3.35Å; F1909-S1911 PolarHBondContact O-N 2.82Å; F1909-I1912 WeakPolarHBondContact O-CB 3.23Å; F1909-I1912 PolarHBondContact O-N 2.64Å
1910G35.3Very low35.7Very low18 Ų1882.6 Ų82.619%0.18648%0.48CS..G310 helixtrans-77.8-13.5-175.500000114.5N1906 I1912 T1913N1906-G1910 WeakPolarHBondContact O-CA 3.45Å; N1906-G1910 PolarHBondContact O-N 2.81Å; G1910-I1912 PolarHBondContact O-N 2.64Å; G1910-T1913 PolarHBondContact O-N 2.87Å; G1910-T1913 PolarHBondContact O-OG1 3.15Å; G1910-T1913 VanDerWaalsContact O-OG1 3.05Å
1911S33.9Very low34.9Very low73 Ų7387 Ų8751%0.5149%0.49SS..G310 helixtrans-64.2-13.8165.5-178.20000112.9F1909F1909-S1911 VanDerWaalsContact C-N 3.35Å; F1909-S1911 PolarHBondContact O-N 2.82Å
1912I31.8Very low34.1Very low89 Ų8990.9 Ų90.946%0.45652%0.52SS..G310 helixtrans-93.4-18.5-179.9-76163.6000112.1T782 F1909 G1910T782-I1912 HydrophobicContact CG2-CG2 4.2Å; F1909-I1912 WeakPolarHBondContact O-CB 3.23Å; F1909-I1912 PolarHBondContact O-N 2.64Å; G1910-I1912 PolarHBondContact O-N 2.64Å
1913T30.3Very low33.2Very low85 Ų8589.4 Ų89.452%0.52152%0.52SS..THydrogen-bonded Turntrans-91.6-11.8-176.149.20000114.3G1910 T1915G1910-T1913 PolarHBondContact O-N 2.87Å; G1910-T1913 PolarHBondContact O-OG1 3.15Å; G1910-T1913 VanDerWaalsContact O-OG1 3.05Å; T1913-T1915 VanDerWaalsContact C-N 3.31Å; T1913-T1915 PolarHBondContact O-N 3.18Å
1914D26.2Very low32.1Very low93 Ų9391.7 Ų91.750%0.49753%0.525SS..  trans-82.275.6173.9-74.8-24.6000111.1S1916 L1917D1914-S1916 PolarHBondContact O-N 3.3Å; D1914-L1917 HydrophobicContact CB-CD1 4.47Å; D1914-L1917 PolarHBondContact O-N 3.26Å
1915T30.2Very low31.3Very low125 Ų12597.5 Ų97.577%0.76755%0.545SS*.THydrogen-bonded Turntrans-62.53.316927.70000114T1913T1913-T1915 VanDerWaalsContact C-N 3.31Å; T1913-T1915 PolarHBondContact O-N 3.18Å
1916S25.5Very low30.2Very low100 Ų100102.2 Ų102.270%0.69957%0.571SS**THydrogen-bonded Turntrans-100.3-11.4175.279.50000115.3D1914D1914-S1916 PolarHBondContact O-N 3.3Å
1917L26.2Very low29.2Very low134 Ų134101.7 Ų101.770%0.70258%0.575SS**SBendtrans-973.2178.2-83.5164.6000114.2D1914D1914-L1917 HydrophobicContact CB-CD1 4.47Å; D1914-L1917 PolarHBondContact O-N 3.26Å
1918M26.4Very low28.4Very low164 Ų164101.7 Ų101.781%0.80858%0.577SS**SBendtrans-92.80.9175.9-68.5-132.4144.600114.3
1919N24.3Very low27.5Very low144 Ų144103.6 Ų103.677%0.7759%0.593SS**SBendtrans-103.4-12.3-176.5-108.63.2000115.7
1920D21.1Very low27Very low137 Ų137102.4 Ų102.473%0.73360%0.6SS**SBendtrans-14584-178.1-79.8-46.4000110.5
1921N23.6Very low26.8Very low151 Ų151103.8 Ų103.881%0.80760%0.601SS**  trans170.9109.7140-84.5-35.6000108.6V1923N1921-V1923 PolarHBondContact O-N 3.31Å
1922S23.3Very low26.5Very low120 Ų120101.6 Ų101.684%0.83959%0.591SS**  trans-54.9100.2167.851.90000110.7
1923V24Very low26.6Very low100 Ų100104.5 Ų104.561%0.60660%0.596SS**  trans-109.1101.3157.1-176.40000105.6N1921 F1925N1921-V1923 PolarHBondContact O-N 3.31Å; V1923-F1925 PolarHBondContact O-N 3.14Å
1924N22.1Very low26.7Very low143 Ų143103 Ų10377%0.76559%0.586SS**  trans-57.1100.2169.8-85.1-20.9000108.5D1926N1924-D1926 PolarHBondContact O-N 3.37Å; N1924-D1926 VanDerWaalsContact O-N 3.16Å
1925F24.7Very low27.1Very low139 Ų139100.7 Ų100.761%0.6157%0.571SS**  trans-7885.3152.3-107.6-82.9000106.4V1923 A1929V1923-F1925 PolarHBondContact O-N 3.14Å; F1925-A1929 HydrophobicContact CD1-CB 3.66Å; F1925-A1929 HydrophobicContact CE1-CB 3.68Å
1926D23.5Very low27.3Very low109 Ų10996.1 Ų96.158%0.58354%0.541SS*.  trans-56.4159.4162.6-99.8-35.6000109.8N1924 T1928N1924-D1926 PolarHBondContact O-N 3.37Å; N1924-D1926 VanDerWaalsContact O-N 3.16Å; D1926-T1928 PolarHBondContact O-N 3.24Å; D1926-T1928 PolarHBondContact O-OG1 2.91Å
1927S27.2Very low27.6Very low87 Ų8793.1 Ų93.161%0.60852%0.517SS*.THydrogen-bonded Turntrans-54.417.8-167.7-580000118
1928T29Very low27.8Very low50 Ų5092.6 Ų92.631%0.30751%0.507SS..THydrogen-bonded Turntrans-93.7-21.1-172.760.50000114.2D1926 H1931 G1932D1926-T1928 PolarHBondContact O-N 3.24Å; D1926-T1928 PolarHBondContact O-OG1 2.91Å; T1928-H1931 WeakPolarHBondContact O-CB 3.38Å; T1928-H1931 PolarHBondContact O-N 3.19Å; T1928-G1932 PolarHBondContact O-N 3.37Å
1929A27.7Very low28Very low46 Ų4685.9 Ų85.938%0.3847%0.473SS..Hα-helixtrans-73.7-31.3-179.400000114F1925 H1931 G1932 R1933F1925-A1929 HydrophobicContact CD1-CB 3.66Å; F1925-A1929 HydrophobicContact CE1-CB 3.68Å; A1929-H1931 VanDerWaalsContact C-N 3.26Å; A1929-H1931 PolarHBondContact O-N 2.88Å; A1929-G1932 PolarHBondContact O-N 3.01Å; A1929-R1933 PolarHBondContact O-N 3.36Å
1930G30.2Very low28.3Very low43 Ų4382.1 Ų82.144%0.44345%0.45SS..Hα-helixtrans-61.6-36.5170.300000111.9
1931H31.1Very low28.6Very low47 Ų4776.8 Ų76.822%0.21842%0.423CS..Hα-helixtrans-72.4-28.1177.5-63.7-7.1000113.4E1298 R1663 T1928 A1929 R1935E1298-H1931 IonicContact OE1-CE1 3.49Å; E1298-H1931 IonicContact OE1-ND1 3.57Å; E1298-H1931 IonicContact OE2-CE1 2.88Å; E1298-H1931 PolarHBondContact OE2-CE1 3.23Å; E1298-H1931 IonicContact OE2-ND1 3.63Å; E1298-H1931 PolarHBondContact OE2-ND1 3.48Å; E1298-H1931 VanDerWaalsContact OE2-ND1 3.09Å; R1663-H1931 PolarHBondContact NH1-CD2 2.69Å; R1663-H1931 PolarHBondContact NH1-NE2 3.35Å; T1928-H1931 WeakPolarHBondContact O-CB 3.38Å; T1928-H1931 PolarHBondContact O-N 3.19Å; A1929-H1931 VanDerWaalsContact C-N 3.26Å; A1929-H1931 PolarHBondContact O-N 2.88Å; H1931-R1935 WeakPolarHBondContact O-CB 3.01Å; H1931-R1935 WeakPolarHBondContact O-CD 3.15Å; H1931-R1935 WeakPolarHBondContact O-CG 3.4Å; H1931-R1935 PolarHBondContact O-N 3.45Å
1932G29.1Very low28.9Very low28 Ų2874.2 Ų74.229%0.28941%0.408SS..Hα-helixtrans-67.8-40.4175.300000113.2T1928 A1929 R1935 I1936T1928-G1932 PolarHBondContact O-N 3.37Å; A1929-G1932 PolarHBondContact O-N 3.01Å; G1932-R1935 PolarHBondContact O-N 3.1Å; G1932-I1936 WeakPolarHBondContact O-CG1 3.49Å; G1932-I1936 PolarHBondContact O-N 3.12Å
1933R32.4Very low29.2Very low149 Ų14971.3 Ų71.356%0.56238%0.381SS*.Hα-helixtrans-69.7-33.4-176.8-74.8-179.2175168.9-1.7113.9A1929A1929-R1933 PolarHBondContact O-N 3.36Å
1934V33.2Very low29.4Very low53 Ų5370 Ų7032%0.32137%0.373SS..Hα-helixtrans-85.3-27176.5-177.80000112I1936 L1937 Y1938V1934-I1936 VanDerWaalsContact C-N 3.3Å; V1934-I1936 PolarHBondContact O-N 2.99Å; V1934-L1937 WeakPolarHBondContact O-CB 3.26Å; V1934-L1937 PolarHBondContact O-N 3.3Å; V1934-L1937 VanDerWaalsContact O-N 3.14Å; V1934-Y1938 HydrophobicContact CG1-CD2 4.25Å; V1934-Y1938 PolarHBondContact O-N 2.85Å
1935R34.3Very low29.4Very low46 Ų4670.2 Ų70.217%0.17437%0.367CS..Hα-helixtrans-62.2-35.8170.6-83.5174.8168-179.6-10.2112.7L1660 H1931 G1932 L1937 Y1938 F1939L1660-R1935 HydrophobicContact CD1-CG 4.4Å; H1931-R1935 WeakPolarHBondContact O-CB 3.01Å; H1931-R1935 WeakPolarHBondContact O-CD 3.15Å; H1931-R1935 WeakPolarHBondContact O-CG 3.4Å; H1931-R1935 PolarHBondContact O-N 3.45Å; G1932-R1935 PolarHBondContact O-N 3.1Å; R1935-L1937 VanDerWaalsContact C-N 3.28Å; R1935-L1937 PolarHBondContact O-N 3.35Å; R1935-Y1938 PolarHBondContact O-N 3.06Å; R1935-F1939 WeakPolarHBondContact O-CB 3.22Å; R1935-F1939 PolarHBondContact O-N 2.68Å
1936I33.6Very low29.7Very low28 Ų2866.8 Ų66.814%0.14436%0.355CS..Hα-helixtrans-53.9-47.6170.5-66.6165.6000110.7F1687 V1757 G1932 V1934 F1940F1687-I1936 HydrophobicContact CD1-CB 4.48Å; F1687-I1936 HydrophobicContact CD1-CD1 3.96Å; F1687-I1936 HydrophobicContact CD1-CG1 3.37Å; F1687-I1936 HydrophobicContact CE1-CB 4.38Å; F1687-I1936 HydrophobicContact CE1-CD1 3.52Å; F1687-I1936 HydrophobicContact CE1-CG1 3.02Å; F1687-I1936 HydrophobicContact CE2-CG1 4.16Å; F1687-I1936 HydrophobicContact CG-CG1 4.15Å; F1687-I1936 HydrophobicContact CZ-CD1 4.27Å; F1687-I1936 HydrophobicContact CZ-CG1 3.46Å; F1687-I1936 VanDerWaalsContact CZ-CG1 3.46Å; V1757-I1936 HydrophobicContact CB-CD1 4.44Å; V1757-I1936 HydrophobicContact CG1-CD1 3.86Å; V1757-I1936 HydrophobicContact CG2-CD1 4.42Å; G1932-I1936 WeakPolarHBondContact O-CG1 3.49Å; G1932-I1936 PolarHBondContact O-N 3.12Å; V1934-I1936 VanDerWaalsContact C-N 3.3Å; V1934-I1936 PolarHBondContact O-N 2.99Å; I1936-F1940 WeakPolarHBondContact O-CB 2.98Å; I1936-F1940 PolarHBondContact O-N 3.14Å
1937L31.8Very low30Very low38 Ų3864.5 Ų64.520%0.19934%0.343CS..Hα-helixtrans-71.5-39.6-175.6-77.1162000112.8I1854 V1856 V1934 R1935 F1940 C1941I1854-L1937 HydrophobicContact CB-CD2 3.61Å; I1854-L1937 HydrophobicContact CD1-CD2 3.68Å; I1854-L1937 HydrophobicContact CG1-CD2 4.21Å; I1854-L1937 HydrophobicContact CG2-CD2 3.54Å; V1856-L1937 HydrophobicContact CG2-CD1 3.68Å; V1856-L1937 HydrophobicContact CG2-CD2 3.67Å; V1856-L1937 HydrophobicContact CG2-CG 4.03Å; V1934-L1937 WeakPolarHBondContact O-CB 3.26Å; V1934-L1937 PolarHBondContact O-N 3.3Å; V1934-L1937 VanDerWaalsContact O-N 3.14Å; R1935-L1937 VanDerWaalsContact C-N 3.28Å; R1935-L1937 PolarHBondContact O-N 3.35Å; L1937-F1940 PolarHBondContact O-N 2.98Å; L1937-C1941 PolarHBondContact O-N 2.71Å
1938Y30.6Very low30.1Very low122 Ų12263.3 Ų63.348%0.47833%0.328SS..Hα-helixtrans-67.9-38.3175.5-107.3-86.3000112.3V1934 R1935 F1940 C1941 I1942V1934-Y1938 HydrophobicContact CG1-CD2 4.25Å; V1934-Y1938 PolarHBondContact O-N 2.85Å; R1935-Y1938 PolarHBondContact O-N 3.06Å; Y1938-F1940 VanDerWaalsContact C-N 3.33Å; Y1938-C1941 PolarHBondContact O-N 2.71Å; Y1938-I1942 HydrophobicContact CD1-CD1 3.95Å; Y1938-I1942 WeakPolarHBondContact O-CG1 3.28Å; Y1938-I1942 PolarHBondContact O-N 3.25Å
1939F31.4Very low30.2Very low24 Ų2464.1 Ų64.111%0.10533%0.33CS..Hα-helixtrans-62.8-41.3172.1-106.1-79.9000112L1660 T1704 G1708 R1935 C1941 F1943L1660-F1939 HydrophobicContact CD1-CD2 4.23Å; L1660-F1939 HydrophobicContact CD1-CE2 3.53Å; L1660-F1939 HydrophobicContact CD1-CZ 4.45Å; L1660-F1939 HydrophobicContact CG-CE2 3.87Å; L1660-F1939 HydrophobicContact CG-CZ 4.34Å; T1704-F1939 HydrophobicContact CG2-CB 4.46Å; T1704-F1939 HydrophobicContact CG2-CD1 3.72Å; T1704-F1939 HydrophobicContact CG2-CE1 4.31Å; T1704-F1939 HydrophobicContact CG2-CG 4.14Å; G1708-F1939 VanDerWaalsContact CA-CE1 3.4Å; R1935-F1939 WeakPolarHBondContact O-CB 3.22Å; R1935-F1939 PolarHBondContact O-N 2.68Å; F1939-C1941 PolarHBondContact O-N 3.01Å; F1939-F1943 AromaticContact CD1-CD2 3.94Å; F1939-F1943 HydrophobicContact CD1-CD2 3.94Å; F1939-F1943 HydrophobicContact CD1-CE2 4.2Å; F1939-F1943 HydrophobicContact CE1-CD2 4.04Å; F1939-F1943 AromaticContact CE1-CE2 3.81Å; F1939-F1943 HydrophobicContact CE1-CE2 3.81Å; F1939-F1943 PolarHBondContact O-N 3.13Å
1940F30.3Very low30.4Very low65 Ų6565.2 Ų65.229%0.28533%0.326SS..Hα-helixtrans-61.8-42.6176.4-133.8-98.1000112.3T1689 F1761 I1936 L1937 Y1938 V1944T1689-F1940 VanDerWaalsContact CB-CE2 3.43Å; T1689-F1940 HydrophobicContact CG2-CE2 3.39Å; T1689-F1940 HydrophobicContact CG2-CZ 3.32Å; T1689-F1940 VanDerWaalsContact OG1-CE2 3.23Å; T1689-F1940 WeakPolarHBondContact OG1-CE2 3.41Å; F1761-F1940 HydrophobicContact CD2-CE1 4.27Å; I1936-F1940 WeakPolarHBondContact O-CB 2.98Å; I1936-F1940 PolarHBondContact O-N 3.14Å; L1937-F1940 PolarHBondContact O-N 2.98Å; Y1938-F1940 VanDerWaalsContact C-N 3.33Å; F1940-V1944 HydrophobicContact CD1-CG2 4.26Å; F1940-V1944 HydrophobicContact CE1-CG2 4.21Å; F1940-V1944 WeakPolarHBondContact O-CB 3.28Å; F1940-V1944 VanDerWaalsContact O-CG2 3.24Å; F1940-V1944 WeakPolarHBondContact O-CG2 3.42Å; F1940-V1944 PolarHBondContact O-N 3.33Å
1941C27.8Very low30.4Very low25 Ų2566.7 Ų66.717%0.16932%0.319CS..Hα-helixtrans-72.9-39.2179.4-75.60000113.5T1852 L1937 Y1938 F1939 F1945T1852-C1941 PolarHBondContact OG1-SG 3.42Å; L1937-C1941 PolarHBondContact O-N 2.71Å; Y1938-C1941 PolarHBondContact O-N 2.71Å; F1939-C1941 PolarHBondContact O-N 3.01Å; C1941-F1945 VanDerWaalsContact O-CB 3.3Å; C1941-F1945 WeakPolarHBondContact O-CB 3.25Å; C1941-F1945 PolarHBondContact O-N 3.5Å
1942I30.1Very low30.3Very low96 Ų9668.1 Ų68.149%0.49233%0.326SS..Hα-helixtrans-76.8-27.6-175.1-67.7171.6000113.1Y1938 F1945Y1938-I1942 HydrophobicContact CD1-CD1 3.95Å; Y1938-I1942 WeakPolarHBondContact O-CG1 3.28Å; Y1938-I1942 PolarHBondContact O-N 3.25Å; I1942-F1945 VanDerWaalsContact O-OXT 3.12Å
1943F28.3Very low30.4Very low60 Ų6071.2 Ų71.226%0.26333%0.329SS..Hα-helixtrans-100.7-16.2-178.6-89.9-85.8000114.5M1159 M1611 F1654 L1711 F1939M1159-F1943 VanDerWaalsContact CE-O 3.31Å; M1159-F1943 WeakPolarHBondContact CE-O 3.21Å; M1611-F1943 HydrophobicContact CE-CE1 3.45Å; M1611-F1943 VanDerWaalsContact CE-CE1 3.45Å; M1611-F1943 HydrophobicContact CE-CZ 3.64Å; F1654-F1943 HydrophobicContact CZ-CE1 4.5Å; F1654-F1943 HydrophobicContact CZ-CZ 4.4Å; L1711-F1943 HydrophobicContact CD2-CD1 3.86Å; L1711-F1943 HydrophobicContact CD2-CE1 3.64Å; F1939-F1943 AromaticContact CD1-CD2 3.94Å; F1939-F1943 HydrophobicContact CD1-CD2 3.94Å; F1939-F1943 HydrophobicContact CD1-CE2 4.2Å; F1939-F1943 HydrophobicContact CE1-CD2 4.04Å; F1939-F1943 AromaticContact CE1-CE2 3.81Å; F1939-F1943 HydrophobicContact CE1-CE2 3.81Å; F1939-F1943 PolarHBondContact O-N 3.13Å
1944V28.4Very low30.2Very low72 Ų7264.7 Ų64.744%0.43631%0.309SS..Hα-helixtrans-95.8-24.7174-177.70000111.9R1162 F1940R1162-V1944 VanDerWaalsContact CZ-O 3.28Å; R1162-V1944 PolarHBondContact NH1-O 3.32Å; F1940-V1944 HydrophobicContact CD1-CG2 4.26Å; F1940-V1944 HydrophobicContact CE1-CG2 4.21Å; F1940-V1944 WeakPolarHBondContact O-CB 3.28Å; F1940-V1944 VanDerWaalsContact O-CG2 3.24Å; F1940-V1944 WeakPolarHBondContact O-CG2 3.42Å; F1940-V1944 PolarHBondContact O-N 3.33Å
1945F22.9Very low30Very low147 Ų14765.7 Ų65.765%0.64531%0.308SS*.  trans-100.60168.8-80-89.2000112.1M1159 R1162 C1941 I1942M1159-F1945 WeakPolarHBondContact CE-OXT 3.3Å; R1162-F1945 VanDerWaalsContact NH1-CA 3.29Å; R1162-F1945 VanDerWaalsContact NH1-CD2 3.32Å; R1162-F1945 VanDerWaalsContact NH1-CE1 3.29Å; C1941-F1945 VanDerWaalsContact O-CB 3.3Å; C1941-F1945 WeakPolarHBondContact O-CB 3.25Å; C1941-F1945 PolarHBondContact O-N 3.5Å; I1942-F1945 VanDerWaalsContact O-OXT 3.12Å

Retrieved 1,945 of 1,945 residues in 1247 ms (Link to these results)

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